| 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 | 40.1 | Very low | 47.2 | Very low | 249 Ų | 249 | 154.7 Ų | 154.7 | 100% | 1.227 | 83% | 0.834 | S | S | * | * | 0 | 99.2 | 0 | -72.7 | 167.1 | 96.8 | 0 | 0 | 107.5 | |||||
| 2 | M | 38.4 | Very low | 47.7 | Very low | 198 Ų | 198 | 152.5 Ų | 152.5 | 98% | 0.975 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 120.8 | 173.1 | -75.9 | 157.4 | 74 | 0 | 0 | 107.6 | ||
| 3 | S | 38.6 | Very low | 48 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 121.3 | 166.8 | 46.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 4 | A | 43.6 | Very low | 48.2 | Very low | 97 Ų | 97 | 148 Ų | 148 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77 | 135.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 5 | L | 46.9 | Very low | 48.3 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 119.1 | 163.2 | -85.8 | 137.8 | 0 | 0 | 0 | 108.8 | ||
| 6 | M | 49.4 | Very low | 48.4 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 134.8 | 169.4 | -73.9 | -174.5 | 172.5 | 0 | 0 | 110.5 | ||
| 7 | P | 46.6 | Very low | 48.4 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 139.8 | 172 | 30.4 | -27.4 | 0 | 0 | 0 | 111.5 | ||
| 8 | H | 53 | Low | 48.3 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 135.8 | -177.3 | -94 | 15.8 | 0 | 0 | 0 | 113.5 | Y10 L11 | H8-Y10 PolarHBondContact O-N 3.41Å; H8-Y10 VanDerWaalsContact O-N 3.13Å; H8-L11 PolarHBondContact O-N 3.13Å |
| 9 | P | 55.6 | Low | 48 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -68.7 | -11.2 | -176.4 | 26.4 | -33.6 | 0 | 0 | 0 | 114.9 | ||
| 10 | Y | 53.8 | Low | 47.6 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 73% | 0.725 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -82.1 | -22.5 | -179.3 | -67.8 | -78.3 | 0 | 0 | 0 | 114 | H8 M14 | H8-Y10 PolarHBondContact O-N 3.41Å; H8-Y10 VanDerWaalsContact O-N 3.13Å; Y10-M14 PolarHBondContact O-N 3.21Å |
| 11 | L | 53.2 | Low | 47.1 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -76.1 | -31.8 | -179.9 | -153.4 | 76 | 0 | 0 | 0 | 111.7 | H8 L15 | H8-L11 PolarHBondContact O-N 3.13Å; L11-L15 PolarHBondContact O-N 3.45Å |
| 12 | L | 53.1 | Low | 47.1 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -71.4 | -32.8 | 178 | -148.7 | 81.7 | 0 | 0 | 0 | 112.1 | L16 | L12-L16 WeakPolarHBondContact O-CD1 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.28Å; L12-L16 VanDerWaalsContact O-N 3.11Å |
| 13 | L | 51.7 | Low | 47.2 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 57% | 0.571 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -74.2 | -34.2 | 179.1 | -155.1 | 76.1 | 0 | 0 | 0 | 112.3 | L16 L17 | L13-L16 PolarHBondContact O-N 3.47Å; L13-L17 PolarHBondContact O-N 3.48Å |
| 14 | M | 50.5 | Low | 47.2 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 66% | 0.655 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -69.2 | -38.2 | 172.2 | -90.8 | -77.5 | -142.4 | 0 | 0 | 112.3 | Y10 L16 L17 V18 | Y10-M14 PolarHBondContact O-N 3.21Å; M14-L16 VanDerWaalsContact C-N 3.32Å; M14-L16 PolarHBondContact O-N 3.11Å; M14-L17 PolarHBondContact O-N 3.04Å; M14-V18 WeakPolarHBondContact O-CG2 3.34Å; M14-V18 PolarHBondContact O-N 3.31Å |
| 15 | L | 50.6 | Low | 46.9 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 64% | 0.644 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -68.5 | -29.1 | 174.5 | -96.2 | 141.6 | 0 | 0 | 0 | 113.1 | L11 G19 | L11-L15 PolarHBondContact O-N 3.45Å; L15-G19 PolarHBondContact O-N 3.23Å |
| 16 | L | 49.6 | Very low | 46.8 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 61% | 0.607 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -77.1 | -21.3 | 173.9 | -76.7 | 163.1 | 0 | 0 | 0 | 113.6 | L12 L13 M14 | L12-L16 WeakPolarHBondContact O-CD1 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.28Å; L12-L16 VanDerWaalsContact O-N 3.11Å; L13-L16 PolarHBondContact O-N 3.47Å; M14-L16 VanDerWaalsContact C-N 3.32Å; M14-L16 PolarHBondContact O-N 3.11Å |
| 17 | L | 48.5 | Very low | 47.2 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -89.9 | -27.3 | 175.1 | -80.3 | 159.3 | 0 | 0 | 0 | 113 | L13 M14 | L13-L17 PolarHBondContact O-N 3.48Å; M14-L17 PolarHBondContact O-N 3.04Å |
| 18 | V | 47.1 | Very low | 48.8 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -82.6 | -17.4 | 175.2 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | M14 K20 | M14-V18 WeakPolarHBondContact O-CG2 3.34Å; M14-V18 PolarHBondContact O-N 3.31Å; V18-K20 PolarHBondContact O-N 3.48Å |
| 19 | G | 42.1 | Very low | 50.6 | Low | 55 Ų | 55 | 128.7 Ų | 128.7 | 57% | 0.567 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | L15 | L15-G19 PolarHBondContact O-N 3.23Š|
| 20 | K | 39.1 | Very low | 52.6 | Low | 186 Ų | 186 | 124.2 Ų | 124.2 | 81% | 0.809 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 24.5 | -177.9 | -80.7 | -168 | 177.6 | -175.2 | 0 | 114.8 | V18 | V18-K20 PolarHBondContact O-N 3.48Š|
| 21 | S | 38 | Very low | 54.8 | Low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | trans | -108.1 | 48.4 | 159.7 | 31 | 0 | 0 | 0 | 0 | 109.7 | L23 | S21-L23 VanDerWaalsContact C-N 3.29Å; S21-L23 PolarHBondContact O-N 3.13Å; S21-L23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | V | 40.7 | Very low | 56.9 | Low | 121 Ų | 121 | 109.4 Ų | 109.4 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | trans | -62.7 | 109.2 | 142.6 | 177.3 | 0 | 0 | 0 | 0 | 103.3 | L24 | V22-L24 VanDerWaalsContact C-N 3.29Å; V22-L24 PolarHBondContact O-N 2.81Å | ||
| 23 | L | 39.2 | Very low | 59.1 | Low | 150 Ų | 150 | 103.3 Ų | 103.3 | 79% | 0.785 | 55% | 0.551 | S | S | * | * | trans | -45.9 | 105.7 | 164.3 | -139.9 | 88.3 | 0 | 0 | 0 | 104.8 | S21 Q25 | S21-L23 VanDerWaalsContact C-N 3.29Å; S21-L23 PolarHBondContact O-N 3.13Å; S21-L23 VanDerWaalsContact O-N 3.13Å; L23-Q25 PolarHBondContact O-N 2.82Å | ||
| 24 | L | 38.5 | Very low | 61.4 | Low | 162 Ų | 162 | 98.1 Ų | 98.1 | 85% | 0.848 | 52% | 0.524 | S | S | * | . | trans | -61.5 | 89.9 | 157.7 | -90 | 158.8 | 0 | 0 | 0 | 102.4 | V22 E26 | V22-L24 VanDerWaalsContact C-N 3.29Å; V22-L24 PolarHBondContact O-N 2.81Å; L24-E26 PolarHBondContact O-N 2.75Å | ||
| 25 | Q | 38 | Very low | 63.7 | Low | 161 Ų | 161 | 91.9 Ų | 91.9 | 75% | 0.752 | 49% | 0.493 | S | S | * | . | trans | -60.8 | 94.8 | 157.6 | -168.7 | 159.8 | -3.1 | 0 | 0 | 101.9 | L23 N27 | L23-Q25 PolarHBondContact O-N 2.82Å; Q25-N27 PolarHBondContact O-N 2.99Å | ||
| 26 | E | 45.5 | Very low | 66 | Low | 157 Ų | 157 | 86 Ų | 86 | 73% | 0.734 | 46% | 0.462 | S | S | * | . | trans | -44.7 | 120.7 | 161 | -81.4 | -168.8 | 152.6 | 0 | 0 | 103.9 | L24 I28 | L24-E26 PolarHBondContact O-N 2.75Å; E26-I28 HydrophobicContact CB-CG1 4.27Å; E26-I28 WeakPolarHBondContact O-CG1 3.48Å; E26-I28 PolarHBondContact O-N 2.93Å | ||
| 27 | N | 57.1 | Low | 68.3 | Low | 159 Ų | 159 | 80.6 Ų | 80.6 | 85% | 0.85 | 43% | 0.434 | S | S | * | . | trans | -65.4 | 85 | 171.4 | -110.5 | -16.6 | 0 | 0 | 0 | 104.8 | Q25 K29 | Q25-N27 PolarHBondContact O-N 2.99Å; N27-K29 PolarHBondContact O-N 2.89Å | ||
| 28 | I | 79 | Confident | 70.6 | Confident | 118 Ų | 118 | 74.5 Ų | 74.5 | 61% | 0.605 | 40% | 0.402 | S | S | * | . | trans | -65.1 | 106.6 | -179.1 | -59.8 | 178.6 | 0 | 0 | 0 | 104.6 | E26 N333 | E26-I28 HydrophobicContact CB-CG1 4.27Å; E26-I28 WeakPolarHBondContact O-CG1 3.48Å; E26-I28 PolarHBondContact O-N 2.93Å; I28-N333 WeakPolarHBondContact CG2-ND2 3.38Å; I28-N333 WeakPolarHBondContact CG2-OD1 3.42Å | ||
| 29 | K | 92.8 | Very high | 73 | Confident | 72 Ų | 72 | 69.5 Ų | 69.5 | 31% | 0.313 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 128.3 | 174.3 | -79.9 | 176.7 | 169.6 | -179.5 | 0 | 108 | N27 Q128 Y130 P278 N333 S410 | N27-K29 PolarHBondContact O-N 2.89Å; K29-Q128 PolarHBondContact NZ-O 2.72Å; K29-Y130 HydrophobicContact CB-CE2 4.26Å; K29-Y130 WeakPolarHBondContact CB-OH 3.46Å; K29-Y130 HydrophobicContact CD-CE2 3.95Å; K29-Y130 HydrophobicContact CG-CE2 4.42Å; K29-P278 HydrophobicContact CB-CB 3.91Å; K29-P278 HydrophobicContact CB-CG 4.29Å; K29-N333 PolarHBondContact O-ND2 3.18Å; K29-N333 VanDerWaalsContact O-ND2 3.11Å; K29-S410 WeakPolarHBondContact CE-O 3.37Å |
| 30 | P | 97.1 | Very high | 75.7 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.039 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 155.4 | 179.3 | 30.9 | -36.1 | 0 | 0 | 0 | 110.5 | F32 Y130 N333 W383 L409 | P30-F32 HydrophobicContact CG-CE1 3.97Å; P30-F32 HydrophobicContact CG-CZ 3.86Å; P30-Y130 WeakPolarHBondContact O-CE1 3.35Å; P30-Y130 VanDerWaalsContact O-CZ 3.3Å; P30-Y130 PolarHBondContact O-OH 3.11Å; P30-N333 CarbonylContact C-O 3.59Å; P30-N333 WeakPolarHBondContact CA-O 3.47Å; P30-W383 HydrophobicContact CB-CH2 3.54Å; P30-W383 HydrophobicContact CB-CZ2 3.41Å; P30-W383 VanDerWaalsContact CB-CZ2 3.41Å; P30-W383 HydrophobicContact CB-CZ3 4.43Å; P30-W383 HydrophobicContact CG-CH2 3.65Å; P30-W383 HydrophobicContact CG-CZ2 4.05Å; P30-W383 HydrophobicContact CG-CZ3 4.45Å; P30-L409 WeakPolarHBondContact CD-O 3.24Å; P30-L409 HydrophobicContact CG-CB 4.18Å |
| 31 | N | 98.8 | Very high | 78.4 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 152.9 | 164.5 | -54.9 | -47.9 | 0 | 0 | 0 | 110 | R277 P278 F279 N333 T334 L335 | N31-R277 PolarHBondContact OD1-O 3.32Å; N31-P278 WeakPolarHBondContact OD1-CA 3.19Å; N31-F279 CarbonylContact C-O 3.51Å; N31-F279 WeakPolarHBondContact CA-O 3.28Å; N31-F279 HydrophobicContact CB-CD1 4.11Å; N31-F279 HydrophobicContact CB-CD2 4.13Å; N31-F279 HydrophobicContact CB-CE1 3.79Å; N31-F279 HydrophobicContact CB-CE2 3.8Å; N31-F279 HydrophobicContact CB-CG 4.27Å; N31-F279 HydrophobicContact CB-CZ 3.62Å; N31-F279 WeakPolarHBondContact ND2-CE1 3.31Å; N31-F279 VanDerWaalsContact OD1-CD1 3.27Å; N31-F279 WeakPolarHBondContact OD1-CD1 3.16Å; N31-F279 WeakPolarHBondContact OD1-CE1 3.4Å; N31-F279 PolarHBondContact OD1-N 2.98Å; N31-N333 PolarHBondContact N-O 2.69Å; N31-T334 HydrophobicContact CB-CG2 3.89Å; N31-T334 PolarHBondContact ND2-OG1 2.77Å; N31-T334 WeakPolarHBondContact O-CA 3.36Å; N31-L335 PolarHBondContact O-N 3.3Å |
| 32 | F | 98.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.9 | 174.7 | -55 | -67.3 | 0 | 0 | 0 | 109.7 | P30 V125 Y130 F279 L280 L281 L335 I406 L409 | P30-F32 HydrophobicContact CG-CE1 3.97Å; P30-F32 HydrophobicContact CG-CZ 3.86Å; F32-V125 HydrophobicContact CE2-CG1 4.28Å; F32-Y130 HydrophobicContact CD2-CD1 4.06Å; F32-Y130 AromaticContact CD2-CE1 3.46Å; F32-Y130 HydrophobicContact CD2-CE1 3.46Å; F32-Y130 VanDerWaalsContact CD2-CE1 3.46Å; F32-Y130 HydrophobicContact CE2-CD1 4.18Å; F32-Y130 AromaticContact CE2-CE1 3.3Å; F32-Y130 HydrophobicContact CE2-CE1 3.3Å; F32-Y130 HydrophobicContact CE2-CE2 4.42Å; F32-Y130 AromaticContact CE2-CZ 3.46Å; F32-Y130 VanDerWaalsContact CE2-CZ 3.46Å; F32-Y130 WeakPolarHBondContact CE2-OH 3.45Å; F32-Y130 HydrophobicContact CZ-CE1 4.39Å; F32-F279 PolarHBondContact N-O 3.5Å; F32-L280 HydrophobicContact CB-CB 4.31Å; F32-L280 HydrophobicContact CB-CD1 4.19Å; F32-L280 HydrophobicContact CB-CG 4.08Å; F32-L280 HydrophobicContact CD2-CB 4.39Å; F32-L280 HydrophobicContact CD2-CD1 4.18Å; F32-L280 CarbonylContact O-C 3.42Å; F32-L280 WeakPolarHBondContact O-CA 3.19Å; F32-L281 PolarHBondContact O-N 3.01Å; F32-L335 HydrophobicContact CD1-CB 4.1Å; F32-L335 HydrophobicContact CD1-CD2 4.1Å; F32-L335 HydrophobicContact CE1-CD2 4.25Å; F32-I406 HydrophobicContact CD1-CG1 4.17Å; F32-I406 HydrophobicContact CD2-CG2 4.09Å; F32-I406 HydrophobicContact CE1-CG1 4.33Å; F32-I406 HydrophobicContact CE2-CG2 3.89Å; F32-I406 HydrophobicContact CG-CG1 4.44Å; F32-I406 HydrophobicContact CG-CG2 4.47Å; F32-I406 HydrophobicContact CZ-CG2 4.13Å; F32-L409 HydrophobicContact CE1-CB 3.8Å; F32-L409 HydrophobicContact CE1-CD1 3.93Å; F32-L409 HydrophobicContact CZ-CB 3.7Å |
| 33 | I | 98.9 | Very high | 84 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 115.5 | 166.2 | -60 | 179.4 | 0 | 0 | 0 | 108.2 | M35 I271 F279 L281 I321 L325 T334 L335 L336 Y337 | I33-M35 HydrophobicContact CG2-CG 4.1Å; I33-I271 HydrophobicContact CD1-CD1 3.73Å; I33-I271 HydrophobicContact CD1-CG1 4.21Å; I33-F279 HydrophobicContact CD1-CE2 3.97Å; I33-F279 HydrophobicContact CD1-CZ 4.39Å; I33-F279 HydrophobicContact CG1-CE2 3.76Å; I33-L281 CarbonylContact C-O 3.39Å; I33-L281 WeakPolarHBondContact CA-O 3.07Å; I33-L281 HydrophobicContact CG1-CB 4.18Å; I33-L281 HydrophobicContact CG1-CD2 4.43Å; I33-L281 HydrophobicContact CG2-CD2 4.2Å; I33-I321 HydrophobicContact CD1-CG2 3.85Å; I33-I321 HydrophobicContact CG2-CG2 4.29Å; I33-L325 HydrophobicContact CD1-CD1 3.97Å; I33-L325 HydrophobicContact CD1-CD2 3.78Å; I33-L325 HydrophobicContact CD1-CG 4.26Å; I33-T334 HydrophobicContact CD1-CG2 4.04Å; I33-T334 HydrophobicContact CG1-CG2 3.98Å; I33-L335 PolarHBondContact N-O 3.27Å; I33-L336 HydrophobicContact CB-CD2 3.52Å; I33-L336 HydrophobicContact CD1-CD2 4.03Å; I33-L336 HydrophobicContact CG1-CD2 4.12Å; I33-L336 HydrophobicContact CG2-CD2 4.07Å; I33-L336 WeakPolarHBondContact O-CA 3.36Å; I33-Y337 PolarHBondContact O-N 3.38Å |
| 34 | L | 98.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 115.5 | -177 | -46.6 | 174.3 | 0 | 0 | 0 | 107.3 | F85 F121 L280 L281 F282 L283 Y337 L402 I406 | L34-F85 HydrophobicContact CB-CZ 4.18Å; L34-F85 HydrophobicContact CD1-CE1 4.4Å; L34-F85 HydrophobicContact CD1-CZ 3.93Å; L34-F121 HydrophobicContact CD1-CD2 4.35Å; L34-F121 HydrophobicContact CD1-CE1 4.22Å; L34-F121 HydrophobicContact CD1-CE2 3.5Å; L34-F121 VanDerWaalsContact CD1-CE2 3.5Å; L34-F121 HydrophobicContact CD1-CZ 3.41Å; L34-F121 VanDerWaalsContact CD1-CZ 3.41Å; L34-L280 HydrophobicContact CD1-CD1 4.38Å; L34-L281 PolarHBondContact N-O 3.21Å; L34-F282 HydrophobicContact CB-CD2 4.01Å; L34-F282 CarbonylContact O-C 3.31Å; L34-L283 PolarHBondContact O-N 2.84Å; L34-Y337 HydrophobicContact CD2-CD1 4.31Å; L34-L402 HydrophobicContact CD2-CD1 4.01Å; L34-L402 HydrophobicContact CD2-CG 4.44Å; L34-I406 HydrophobicContact CD1-CD1 3.56Å; L34-I406 HydrophobicContact CD2-CD1 3.95Å; L34-I406 HydrophobicContact CG-CD1 4.35Å |
| 35 | M | 98.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.6 | -179.8 | -67.5 | 174.1 | -72 | 0 | 0 | 108.7 | I33 L61 L283 Y285 V318 L336 Y337 L338 T339 | I33-M35 HydrophobicContact CG2-CG 4.1Å; M35-L61 HydrophobicContact CE-CD2 3.95Å; M35-L283 WeakPolarHBondContact CA-O 3.24Å; M35-L283 HydrophobicContact CG-CB 4.31Å; M35-L283 HydrophobicContact CG-CD2 4.47Å; M35-Y285 HydrophobicContact CB-CE2 4.26Å; M35-Y285 HydrophobicContact CG-CE2 4.46Å; M35-V318 HydrophobicContact SD-CG1 4.34Å; M35-V318 HydrophobicContact SD-CG2 3.89Å; M35-L336 HydrophobicContact CE-CD1 4.14Å; M35-Y337 PolarHBondContact N-O 2.96Å; M35-L338 HydrophobicContact CB-CB 4.39Å; M35-L338 HydrophobicContact CB-CD1 4.43Å; M35-L338 HydrophobicContact CB-CG 4.31Å; M35-L338 HydrophobicContact CE-CB 4.35Å; M35-L338 HydrophobicContact CE-CD1 4.4Å; M35-L338 CarbonylContact O-C 3.51Å; M35-L338 VanDerWaalsContact O-CA 3.3Å; M35-L338 WeakPolarHBondContact O-CA 3.47Å; M35-T339 PolarHBondContact O-N 3.07Å |
| 36 | M | 98.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.7 | 178.6 | -179.2 | 174.7 | -78.4 | 0 | 0 | 109.2 | R82 F85 F282 L283 S284 Y285 T339 D341 | M36-R82 HydrophobicContact SD-CG 4.12Å; M36-F85 HydrophobicContact CE-CB 3.97Å; M36-F85 HydrophobicContact CE-CD1 3.57Å; M36-F85 HydrophobicContact CE-CD2 3.74Å; M36-F85 HydrophobicContact CE-CE1 3.93Å; M36-F85 HydrophobicContact CE-CE2 4.11Å; M36-F85 HydrophobicContact CE-CG 3.46Å; M36-F85 VanDerWaalsContact CE-CG 3.46Å; M36-F85 HydrophobicContact CE-CZ 4.18Å; M36-F282 HydrophobicContact CB-CE2 3.66Å; M36-F282 HydrophobicContact CB-CZ 4.23Å; M36-F282 HydrophobicContact CE-CZ 4.48Å; M36-F282 HydrophobicContact SD-CE2 4.28Å; M36-F282 HydrophobicContact SD-CZ 3.95Å; M36-L283 PolarHBondContact N-O 3.09Å; M36-S284 CarbonylContact O-C 3.53Å; M36-S284 WeakPolarHBondContact O-CA 3.31Å; M36-Y285 PolarHBondContact O-N 2.96Å; M36-T339 WeakPolarHBondContact CA-O 3.38Å; M36-T339 HydrophobicContact CB-CG2 4.37Å; M36-T339 HydrophobicContact CE-CG2 3.82Å; M36-T339 HydrophobicContact CG-CG2 4.26Å; M36-D341 HydrophobicContact CG-CB 4.14Å; M36-D341 HydrophobicContact SD-CB 3.72Å |
| 37 | L | 98.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 163 | 168.6 | -66.8 | 88.9 | 0 | 0 | 0 | 110.3 | L40 Y285 Q287 V314 L338 T339 S340 D341 | L37-L40 HydrophobicContact CB-CB 3.75Å; L37-L40 HydrophobicContact CB-CD2 4.41Å; L37-L40 HydrophobicContact CD1-CD2 4.26Å; L37-L40 HydrophobicContact CD2-CB 4.07Å; L37-L40 HydrophobicContact CD2-CD1 4.14Å; L37-L40 HydrophobicContact CD2-CD2 3.79Å; L37-L40 HydrophobicContact CD2-CG 4.19Å; L37-L40 HydrophobicContact CG-CB 4.49Å; L37-L40 HydrophobicContact CG-CD2 4.38Å; L37-Y285 HydrophobicContact CD1-CD2 4.45Å; L37-Y285 HydrophobicContact CG-CD2 4.16Å; L37-Q287 WeakPolarHBondContact CA-O 3.17Å; L37-V314 HydrophobicContact CD1-CG1 4.32Å; L37-V314 HydrophobicContact CD2-CB 4.16Å; L37-V314 HydrophobicContact CD2-CG1 3.6Å; L37-V314 HydrophobicContact CD2-CG2 4.26Å; L37-V314 HydrophobicContact CG-CG1 4Å; L37-L338 HydrophobicContact CD1-CD1 4.32Å; L37-L338 HydrophobicContact CD1-CD2 3.97Å; L37-L338 HydrophobicContact CD1-CG 4.06Å; L37-T339 WeakPolarHBondContact CD1-O 3.38Å; L37-T339 PolarHBondContact N-O 2.62Å; L37-S340 WeakPolarHBondContact O-CA 3.37Å; L37-D341 PolarHBondContact O-N 2.77Å |
| 38 | D | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -112.5 | 112.9 | -176.8 | -161.4 | 8.1 | 0 | 0 | 0 | 108.8 | L40 R82 K137 Q287 V288 H289 D341 | D38-L40 VanDerWaalsContact C-N 3.32Å; D38-L40 PolarHBondContact O-N 3.35Å; D38-R82 IonicContact OD1-NH2 2.73Å; D38-K137 IonicContact OD1-NZ 3.16Å; D38-K137 PolarHBondContact OD1-NZ 2.9Å; D38-K137 WeakPolarHBondContact OD2-CD 3.18Å; D38-K137 WeakPolarHBondContact OD2-CE 3.25Å; D38-K137 IonicContact OD2-NZ 3.55Å; D38-K137 PolarHBondContact OD2-NZ 3.46Å; D38-Q287 PolarHBondContact N-O 3.23Å; D38-Q287 CarbonylContact O-C 3.57Å; D38-V288 CarbonylContact O-C 3.49Å; D38-V288 VanDerWaalsContact O-C 3.31Å; D38-V288 WeakPolarHBondContact O-CA 3.28Å; D38-V288 PolarHBondContact O-N 2.92Å; D38-H289 HydrophobicContact CB-CB 3.8Å; D38-H289 PolarHBondContact O-N 3.48Å; D38-H289 IonicContact OD1-CD2 3.23Å; D38-H289 PolarHBondContact OD1-CD2 2.74Å; D38-H289 WeakPolarHBondContact OD2-CB 3.27Å; D38-H289 IonicContact OD2-CD2 2.74Å; D38-H289 IonicContact OD2-CG 3.72Å; D38-D341 WeakPolarHBondContact CA-OD1 3.4Å; D38-D341 VanDerWaalsContact OD1-OD2 3.06Å |
| 39 | D | 96.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 11.3 Ų | 11.3 | 3% | 0.027 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 61.3 | 24.9 | -175.8 | -55.4 | -24.1 | 0 | 0 | 0 | 116.2 | G41 H289 D341 Q342 A344 K367 | D39-G41 PolarHBondContact O-N 2.68Å; D39-H289 IonicContact OD1-CD2 3.77Å; D39-H289 IonicContact OD2-CD2 3.36Å; D39-H289 PolarHBondContact OD2-CD2 3.29Å; D39-H289 IonicContact OD2-CG 3.04Å; D39-H289 IonicContact OD2-NE2 2.73Å; D39-D341 PolarHBondContact N-OD1 3.42Å; D39-Q342 PolarHBondContact OD1-NE2 3.26Å; D39-A344 VanDerWaalsContact O-CA 3.3Å; D39-A344 WeakPolarHBondContact O-CA 3.19Å; D39-K367 VanDerWaalsContact OD1-CD 3.3Å; D39-K367 WeakPolarHBondContact OD1-CD 3.4Å; D39-K367 VanDerWaalsContact OD1-CE 3.22Å; D39-K367 WeakPolarHBondContact OD1-CE 3.04Å; D39-K367 IonicContact OD1-NZ 2.61Å; D39-K367 PolarHBondContact OD1-NZ 3.01Å; D39-K367 IonicContact OD2-NZ 2.95Å; D39-K367 PolarHBondContact OD2-NZ 3Å |
| 40 | L | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -72.9 | 124.6 | 171.8 | -178.1 | 79.3 | 0 | 0 | 0 | 109.8 | L37 D38 D44 L45 V288 V311 S340 P378 | L37-L40 HydrophobicContact CB-CB 3.75Å; L37-L40 HydrophobicContact CB-CD2 4.41Å; L37-L40 HydrophobicContact CD1-CD2 4.26Å; L37-L40 HydrophobicContact CD2-CB 4.07Å; L37-L40 HydrophobicContact CD2-CD1 4.14Å; L37-L40 HydrophobicContact CD2-CD2 3.79Å; L37-L40 HydrophobicContact CD2-CG 4.19Å; L37-L40 HydrophobicContact CG-CB 4.49Å; L37-L40 HydrophobicContact CG-CD2 4.38Å; D38-L40 VanDerWaalsContact C-N 3.32Å; D38-L40 PolarHBondContact O-N 3.35Å; L40-D44 HydrophobicContact CD1-CB 3.67Å; L40-D44 HydrophobicContact CG-CB 4.32Å; L40-L45 HydrophobicContact CD2-CD1 4.08Å; L40-L45 HydrophobicContact CD2-CD2 3.77Å; L40-L45 HydrophobicContact CD2-CG 3.93Å; L40-V288 HydrophobicContact CB-CG2 4.19Å; L40-V288 HydrophobicContact CD1-CG2 4.16Å; L40-V311 HydrophobicContact CD1-CG2 4Å; L40-S340 PolarHBondContact N-OG 2.75Å; L40-S340 VanDerWaalsContact O-CB 3.3Å; L40-S340 WeakPolarHBondContact O-CB 3.41Å; L40-S340 PolarHBondContact O-OG 2.97Å; L40-P378 HydrophobicContact CD2-CG 4.05Å | ||
| 41 | G | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -75.5 | 147 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D39 G43 D44 W359 N360 | D39-G41 PolarHBondContact O-N 2.68Å; G41-G43 PolarHBondContact O-N 3.13Å; G41-D44 VanDerWaalsContact CA-OD2 3.28Å; G41-D44 WeakPolarHBondContact CA-OD2 2.96Å; G41-D44 PolarHBondContact N-OD2 3.21Å; G41-D44 WeakPolarHBondContact O-CB 3.44Å; G41-D44 PolarHBondContact O-N 2.93Å; G41-W359 CarbonylContact C-O 3.55Å; G41-W359 WeakPolarHBondContact CA-O 3.45Å; G41-N360 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 42 | I | 97.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.1 | 177.5 | -175.5 | 166.1 | 0 | 0 | 0 | 113.3 | D44 Y48 Y363 R376 P378 | I42-D44 VanDerWaalsContact C-N 3.32Å; I42-Y48 HydrophobicContact CD1-CD1 3.93Å; I42-Y48 HydrophobicContact CD1-CE1 3.86Å; I42-Y48 HydrophobicContact CG1-CD1 3.55Å; I42-Y48 HydrophobicContact CG1-CE1 3.88Å; I42-Y48 HydrophobicContact CG1-CG 4.18Å; I42-Y48 WeakPolarHBondContact O-CB 3.26Å; I42-Y363 HydrophobicContact CD1-CE2 3.92Å; I42-Y363 HydrophobicContact CG1-CE2 4.29Å; I42-Y363 HydrophobicContact CG2-CD2 3.32Å; I42-Y363 HydrophobicContact CG2-CE2 3.58Å; I42-Y363 HydrophobicContact CG2-CG 4.43Å; I42-R376 HydrophobicContact CD1-CG 3.68Å; I42-P378 HydrophobicContact CB-CG 4.47Å |
| 43 | G | 97.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 18 Ų | 18 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G41 N50 W359 | G41-G43 PolarHBondContact O-N 3.13Å; G43-N50 WeakPolarHBondContact O-CB 3.37Å; G43-N50 PolarHBondContact O-ND2 2.97Å; G43-W359 CarbonylContact C-O 3.59Å; G43-W359 WeakPolarHBondContact CA-O 3.27Å; G43-W359 PolarHBondContact N-O 2.74Å; G43-W359 WeakPolarHBondContact O-CZ3 3.33Å |
| 44 | D | 97.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.027 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -75.2 | -30.1 | -172.5 | -72.4 | -46.2 | 0 | 0 | 0 | 113.5 | L40 G41 I42 N50 L53 Y307 G358 W359 | L40-D44 HydrophobicContact CD1-CB 3.67Å; L40-D44 HydrophobicContact CG-CB 4.32Å; G41-D44 VanDerWaalsContact CA-OD2 3.28Å; G41-D44 WeakPolarHBondContact CA-OD2 2.96Å; G41-D44 PolarHBondContact N-OD2 3.21Å; G41-D44 WeakPolarHBondContact O-CB 3.44Å; G41-D44 PolarHBondContact O-N 2.93Å; I42-D44 VanDerWaalsContact C-N 3.32Å; D44-N50 VanDerWaalsContact O-CB 3.23Å; D44-N50 WeakPolarHBondContact O-CB 3.45Å; D44-N50 PolarHBondContact O-ND2 3.26Å; D44-L53 HydrophobicContact CB-CD2 4.15Å; D44-L53 WeakPolarHBondContact O-CD2 3.23Å; D44-Y307 VanDerWaalsContact CG-OH 3.32Å; D44-Y307 PolarHBondContact OD2-OH 3.43Å; D44-G358 WeakPolarHBondContact OD2-CA 3.46Å; D44-W359 PolarHBondContact N-O 3Å; D44-W359 WeakPolarHBondContact OD1-CB 3.28Å; D44-W359 PolarHBondContact OD1-N 3.2Å; D44-W359 PolarHBondContact OD2-N 3.47Å |
| 45 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -82.7 | 146.2 | -174 | -57.9 | 178.5 | 0 | 0 | 0 | 112.7 | L40 C47 Y48 G49 N50 T55 I58 L338 P378 I380 | L40-L45 HydrophobicContact CD2-CD1 4.08Å; L40-L45 HydrophobicContact CD2-CD2 3.77Å; L40-L45 HydrophobicContact CD2-CG 3.93Å; L45-C47 PolarHBondContact O-N 3.49Å; L45-Y48 HydrophobicContact CB-CD2 4.07Å; L45-Y48 HydrophobicContact CD1-CD2 4.01Å; L45-Y48 HydrophobicContact CD1-CE2 4.28Å; L45-Y48 CarbonylContact O-C 3.5Å; L45-Y48 PolarHBondContact O-N 3.37Å; L45-G49 PolarHBondContact O-N 3.38Å; L45-N50 WeakPolarHBondContact O-CB 3.28Å; L45-N50 PolarHBondContact O-N 3.17Å; L45-N50 VanDerWaalsContact O-N 3.14Å; L45-T55 HydrophobicContact CD2-CG2 3.85Å; L45-I58 HydrophobicContact CD1-CG2 3.87Å; L45-I58 HydrophobicContact CD2-CD1 3.91Å; L45-I58 HydrophobicContact CD2-CG2 4.14Å; L45-L338 HydrophobicContact CD1-CD2 4.35Å; L45-P378 HydrophobicContact CD1-CB 3.71Å; L45-P378 HydrophobicContact CD1-CG 3.77Å; L45-P378 HydrophobicContact CG-CG 4.43Å; L45-I380 HydrophobicContact CD1-CD1 4.25Å |
| 46 | G | 97.8 | Very high | 96.8 | Very high | 21 Ų | 21 | 30.9 Ų | 30.9 | 22% | 0.216 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -57.5 | -47.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y48 G49 N50 T55 D59 | G46-Y48 PolarHBondContact O-N 2.9Å; G46-Y48 VanDerWaalsContact O-N 3.09Å; G46-G49 PolarHBondContact O-N 3.11Å; G46-N50 WeakPolarHBondContact CA-O 3.28Å; G46-T55 PolarHBondContact N-OG1 3.28Å; G46-D59 WeakPolarHBondContact CA-OD1 3.32Å; G46-D59 PolarHBondContact N-OD1 3.33Å |
| 47 | C | 97.7 | Very high | 96.8 | Very high | 25 Ų | 25 | 32.5 Ų | 32.5 | 17% | 0.169 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -63.8 | -11.4 | 176.5 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | L45 D59 A62 K67 | L45-C47 PolarHBondContact O-N 3.49Å; C47-D59 HydrophobicContact CB-CB 4.39Å; C47-D59 WeakPolarHBondContact CB-OD1 3.22Å; C47-D59 PolarHBondContact N-OD1 2.99Å; C47-D59 PolarHBondContact SG-OD1 3.05Å; C47-D59 VanDerWaalsContact SG-OD1 3.34Å; C47-A62 HydrophobicContact CB-CB 3.82Å; C47-K67 VanDerWaalsContact O-CD 3.32Å; C47-K67 WeakPolarHBondContact O-CD 3.47Å; C47-K67 PolarHBondContact O-NZ 3.49Å; C47-K67 VanDerWaalsContact O-NZ 3.12Å |
| 48 | Y | 98 | Very high | 96.8 | Very high | 40 Ų | 40 | 32.5 Ų | 32.5 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -107.2 | 7.2 | 172.7 | -77.6 | -91.8 | 0 | 0 | 0 | 113.6 | I42 L45 G46 K67 L68 P378 G379 I380 | I42-Y48 HydrophobicContact CD1-CD1 3.93Å; I42-Y48 HydrophobicContact CD1-CE1 3.86Å; I42-Y48 HydrophobicContact CG1-CD1 3.55Å; I42-Y48 HydrophobicContact CG1-CE1 3.88Å; I42-Y48 HydrophobicContact CG1-CG 4.18Å; I42-Y48 WeakPolarHBondContact O-CB 3.26Å; L45-Y48 HydrophobicContact CB-CD2 4.07Å; L45-Y48 HydrophobicContact CD1-CD2 4.01Å; L45-Y48 HydrophobicContact CD1-CE2 4.28Å; L45-Y48 CarbonylContact O-C 3.5Å; L45-Y48 PolarHBondContact O-N 3.37Å; G46-Y48 PolarHBondContact O-N 2.9Å; G46-Y48 VanDerWaalsContact O-N 3.09Å; Y48-K67 HydrophobicContact CD2-CD 4.36Å; Y48-K67 HydrophobicContact CE1-CD 4.27Å; Y48-K67 HydrophobicContact CE1-CG 4.12Å; Y48-K67 HydrophobicContact CE2-CD 4.06Å; Y48-K67 HydrophobicContact CE2-CG 3.88Å; Y48-K67 WeakPolarHBondContact OH-CG 3.42Å; Y48-L68 WeakPolarHBondContact CE1-O 3.48Å; Y48-L68 PolarHBondContact OH-O 3.36Å; Y48-P378 HydrophobicContact CD2-CB 4.44Å; Y48-P378 HydrophobicContact CE2-CB 3.87Å; Y48-G379 PolarHBondContact OH-N 2.74Å; Y48-G379 PolarHBondContact OH-O 2.93Å; Y48-I380 HydrophobicContact CE2-CD1 4.18Å; Y48-I380 HydrophobicContact CE2-CG1 4.07Å |
| 49 | G | 95.8 | Very high | 96.9 | Very high | 51 Ų | 51 | 34 Ų | 34 | 53% | 0.526 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 112.8 | 0.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L45 G46 T51 | L45-G49 PolarHBondContact O-N 3.38Å; G46-G49 PolarHBondContact O-N 3.11Å; G49-T51 PolarHBondContact O-N 3.32Å |
| 50 | N | 96.1 | Very high | 97 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | trans | -69.6 | 127.6 | 173.1 | -154.6 | -51.4 | 0 | 0 | 0 | 110.9 | G43 D44 L45 G46 T52 L53 W359 | G43-N50 WeakPolarHBondContact O-CB 3.37Å; G43-N50 PolarHBondContact O-ND2 2.97Å; D44-N50 VanDerWaalsContact O-CB 3.23Å; D44-N50 WeakPolarHBondContact O-CB 3.45Å; D44-N50 PolarHBondContact O-ND2 3.26Å; L45-N50 WeakPolarHBondContact O-CB 3.28Å; L45-N50 PolarHBondContact O-N 3.17Å; L45-N50 VanDerWaalsContact O-N 3.14Å; G46-N50 WeakPolarHBondContact CA-O 3.28Å; N50-T52 PolarHBondContact OD1-N 3.1Å; N50-T52 PolarHBondContact OD1-OG1 2.67Å; N50-L53 PolarHBondContact OD1-N 3.34Å; N50-W359 HydrophobicContact CB-CZ3 4.43Å | ||
| 51 | T | 93.6 | Very high | 97 | Very high | 135 Ų | 135 | 37.4 Ų | 37.4 | 83% | 0.828 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -104.1 | -4.1 | 180 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | G49 | G49-T51 PolarHBondContact O-N 3.32Š|
| 52 | T | 93.3 | Very high | 97 | Very high | 70 Ų | 70 | 37.8 Ų | 37.8 | 43% | 0.429 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -117.6 | -35.8 | -171.2 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | N50 H304 | N50-T52 PolarHBondContact OD1-N 3.1Å; N50-T52 PolarHBondContact OD1-OG1 2.67Å; T52-H304 PolarHBondContact OG1-NE2 2.89Å |
| 53 | L | 94 | Very high | 97 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -88.7 | 121.6 | 171.8 | -166.1 | 61.1 | 0 | 0 | 0 | 109.1 | D44 N50 S302 Y307 G308 V311 | D44-L53 HydrophobicContact CB-CD2 4.15Å; D44-L53 WeakPolarHBondContact O-CD2 3.23Å; N50-L53 PolarHBondContact OD1-N 3.34Å; L53-S302 WeakPolarHBondContact CD1-OG 3.37Å; L53-Y307 HydrophobicContact CD2-CE1 4.47Å; L53-G308 VanDerWaalsContact CD1-CA 3.42Å; L53-V311 HydrophobicContact CD1-CB 4.27Å; L53-V311 HydrophobicContact CD1-CG1 4.45Å; L53-V311 HydrophobicContact CD2-CB 3.84Å; L53-V311 HydrophobicContact CD2-CG1 3.66Å; L53-V311 HydrophobicContact CD2-CG2 3.88Å; L53-V311 HydrophobicContact CG-CB 4.3Å; L53-V311 HydrophobicContact CG-CG1 4Å |
| 54 | R | 93.6 | Very high | 97 | Very high | 194 Ų | 194 | 46.6 Ų | 46.6 | 73% | 0.732 | 26% | 0.255 | S | S | * | . | trans | -100 | 119.4 | -171.2 | -60.9 | -173.5 | -168.7 | -178.7 | 4.2 | 110.5 | P56 H312 | R54-P56 VanDerWaalsContact C-CD 3.4Å; R54-P56 WeakPolarHBondContact O-CD 3.32Å; R54-H312 PolarHBondContact N-NE2 3.26Å; R54-H312 PolarHBondContact O-CD2 3.01Å | ||
| 55 | T | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -126.2 | 58.5 | -179.8 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | L45 G46 N57 I58 D59 V311 D315 | L45-T55 HydrophobicContact CD2-CG2 3.85Å; G46-T55 PolarHBondContact N-OG1 3.28Å; T55-N57 VanDerWaalsContact C-N 3.32Å; T55-N57 PolarHBondContact O-N 3.41Å; T55-I58 HydrophobicContact CG2-CD1 4.43Å; T55-I58 PolarHBondContact O-N 3.33Å; T55-D59 WeakPolarHBondContact O-CB 3.34Å; T55-D59 PolarHBondContact O-N 3.36Å; T55-D59 PolarHBondContact OG1-OD1 3.48Å; T55-V311 HydrophobicContact CG2-CG1 3.61Å; T55-D315 VanDerWaalsContact C-CG 3.5Å; T55-D315 WeakPolarHBondContact CA-OD1 3.36Å; T55-D315 HydrophobicContact CG2-CB 4.4Å; T55-D315 VanDerWaalsContact O-OD1 3.12Å | ||
| 56 | P | 98.5 | Very high | 97 | Very high | 78 Ų | 78 | 46.3 Ų | 46.3 | 51% | 0.506 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.2 | -34.7 | -170 | 24.9 | -36.2 | 0 | 0 | 0 | 114.4 | R54 Q60 D315 | R54-P56 VanDerWaalsContact C-CD 3.4Å; R54-P56 WeakPolarHBondContact O-CD 3.32Å; P56-Q60 WeakPolarHBondContact O-CB 3.06Å; P56-Q60 PolarHBondContact O-N 2.65Å; P56-D315 WeakPolarHBondContact CD-OD2 3.37Å; P56-D315 WeakPolarHBondContact CG-OD2 3.48Å |
| 57 | N | 98.8 | Very high | 97.1 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -74.6 | -38.5 | -179.7 | -62.2 | -78.8 | 0 | 0 | 0 | 111.3 | T55 L61 D315 V318 G319 | T55-N57 VanDerWaalsContact C-N 3.32Å; T55-N57 PolarHBondContact O-N 3.41Å; N57-L61 PolarHBondContact O-N 3.12Å; N57-D315 WeakPolarHBondContact CB-O 3.41Å; N57-D315 PolarHBondContact N-OD1 3.44Å; N57-D315 PolarHBondContact N-OD2 3.04Å; N57-D315 PolarHBondContact ND2-O 2.55Å; N57-D315 PolarHBondContact ND2-OD2 3.02Å; N57-V318 HydrophobicContact CB-CB 4.46Å; N57-V318 HydrophobicContact CB-CG1 4.33Å; N57-G319 VanDerWaalsContact CG-CA 3.49Å; N57-G319 VanDerWaalsContact OD1-CA 3.28Å; N57-G319 WeakPolarHBondContact OD1-CA 3.18Å |
| 58 | I | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.4 | -37.8 | 174 | -61.5 | 171.2 | 0 | 0 | 0 | 110.5 | L45 T55 Q60 L61 A62 D315 V318 L338 I380 | L45-I58 HydrophobicContact CD1-CG2 3.87Å; L45-I58 HydrophobicContact CD2-CD1 3.91Å; L45-I58 HydrophobicContact CD2-CG2 4.14Å; T55-I58 HydrophobicContact CG2-CD1 4.43Å; T55-I58 PolarHBondContact O-N 3.33Å; I58-Q60 VanDerWaalsContact C-N 3.35Å; I58-L61 WeakPolarHBondContact O-CB 3.28Å; I58-L61 PolarHBondContact O-N 2.61Å; I58-A62 PolarHBondContact O-N 3.05Å; I58-D315 HydrophobicContact CD1-CB 4.28Å; I58-D315 WeakPolarHBondContact CG1-OD1 3.5Å; I58-D315 PolarHBondContact N-OD1 2.85Å; I58-V318 HydrophobicContact CD1-CG2 4.4Å; I58-V318 HydrophobicContact CG1-CB 4.26Å; I58-V318 HydrophobicContact CG1-CG1 4.23Å; I58-V318 HydrophobicContact CG1-CG2 4.01Å; I58-L338 HydrophobicContact CD1-CD1 4.08Å; I58-L338 HydrophobicContact CG1-CD1 3.85Å; I58-L338 HydrophobicContact CG2-CD1 4.12Å; I58-L338 HydrophobicContact CG2-CD2 4.23Å; I58-I380 HydrophobicContact CG2-CD1 3.6Å |
| 59 | D | 98.7 | Very high | 97.1 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.9 | -39.8 | 176.9 | -64 | -13.8 | 0 | 0 | 0 | 111.1 | G46 C47 T55 L61 A62 Q63 | G46-D59 WeakPolarHBondContact CA-OD1 3.32Å; G46-D59 PolarHBondContact N-OD1 3.33Å; C47-D59 HydrophobicContact CB-CB 4.39Å; C47-D59 WeakPolarHBondContact CB-OD1 3.22Å; C47-D59 PolarHBondContact N-OD1 2.99Å; C47-D59 PolarHBondContact SG-OD1 3.05Å; C47-D59 VanDerWaalsContact SG-OD1 3.34Å; T55-D59 WeakPolarHBondContact O-CB 3.34Å; T55-D59 PolarHBondContact O-N 3.36Å; T55-D59 PolarHBondContact OG1-OD1 3.48Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-A62 PolarHBondContact O-N 3.31Å; D59-Q63 VanDerWaalsContact O-CG 3.32Å; D59-Q63 WeakPolarHBondContact O-CG 3.37Å; D59-Q63 PolarHBondContact O-N 2.86Å |
| 60 | Q | 98.3 | Very high | 97.2 | Very high | 77 Ų | 77 | 43.4 Ų | 43.4 | 36% | 0.36 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.2 | -45.4 | 170.5 | 178.7 | -178.9 | 1.1 | 0 | 0 | 110.9 | P56 I58 A62 Q63 E64 | P56-Q60 WeakPolarHBondContact O-CB 3.06Å; P56-Q60 PolarHBondContact O-N 2.65Å; I58-Q60 VanDerWaalsContact C-N 3.35Å; Q60-A62 VanDerWaalsContact C-N 3.27Å; Q60-A62 PolarHBondContact O-N 3.32Å; Q60-Q63 PolarHBondContact O-N 3.24Å; Q60-Q63 VanDerWaalsContact O-N 3.12Å; Q60-E64 HydrophobicContact CG-CG 4.29Å; Q60-E64 VanDerWaalsContact CG-OE1 3.27Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.24Å; Q60-E64 PolarHBondContact NE2-OE1 3.18Å; Q60-E64 WeakPolarHBondContact O-CB 3.39Å; Q60-E64 WeakPolarHBondContact O-CG 3.46Å; Q60-E64 PolarHBondContact O-N 3.09Å |
| 61 | L | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.7 | -40.8 | 177.6 | -176.8 | 63.6 | 0 | 0 | 0 | 112.3 | M35 N57 I58 D59 G65 L322 L336 L338 I380 S382 | M35-L61 HydrophobicContact CE-CD2 3.95Å; N57-L61 PolarHBondContact O-N 3.12Å; I58-L61 WeakPolarHBondContact O-CB 3.28Å; I58-L61 PolarHBondContact O-N 2.61Å; D59-L61 VanDerWaalsContact C-N 3.34Å; L61-G65 PolarHBondContact O-N 3.44Å; L61-L322 HydrophobicContact CD1-CD2 4.33Å; L61-L336 HydrophobicContact CD1-CB 4.05Å; L61-L336 HydrophobicContact CD1-CD1 3.48Å; L61-L336 VanDerWaalsContact CD1-CD1 3.48Å; L61-L336 HydrophobicContact CD1-CG 4.32Å; L61-L336 HydrophobicContact CD2-CD1 4.46Å; L61-L338 HydrophobicContact CD2-CB 3.98Å; L61-L338 HydrophobicContact CD2-CD1 4.36Å; L61-I380 HydrophobicContact CB-CG2 4.39Å; L61-I380 HydrophobicContact CD2-CG2 4.13Å; L61-I380 HydrophobicContact CG-CG2 3.79Å; L61-S382 VanDerWaalsContact CD1-CB 3.43Å |
| 62 | A | 98.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 7% | 0.066 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C47 I58 D59 Q60 E64 G65 I380 | C47-A62 HydrophobicContact CB-CB 3.82Å; I58-A62 PolarHBondContact O-N 3.05Å; D59-A62 PolarHBondContact O-N 3.31Å; Q60-A62 VanDerWaalsContact C-N 3.27Å; Q60-A62 PolarHBondContact O-N 3.32Å; A62-E64 VanDerWaalsContact C-N 3.32Å; A62-E64 PolarHBondContact O-N 3.34Å; A62-G65 CarbonylContact O-C 3.4Å; A62-G65 PolarHBondContact O-N 3.09Å; A62-I380 HydrophobicContact CB-CD1 4.11Å; A62-I380 HydrophobicContact CB-CG1 4.36Å; A62-I380 HydrophobicContact CB-CG2 4.03Å |
| 63 | Q | 97.8 | Very high | 97.9 | Very high | 138 Ų | 138 | 33 Ų | 33 | 65% | 0.645 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -66 | -34.6 | 176.9 | -71.4 | 171.6 | 23.4 | 0 | 0 | 112.4 | D59 Q60 G65 G390 | D59-Q63 VanDerWaalsContact O-CG 3.32Å; D59-Q63 WeakPolarHBondContact O-CG 3.37Å; D59-Q63 PolarHBondContact O-N 2.86Å; Q60-Q63 PolarHBondContact O-N 3.24Å; Q60-Q63 VanDerWaalsContact O-N 3.12Å; Q63-G65 VanDerWaalsContact C-N 3.29Å; Q63-G65 PolarHBondContact O-N 2.84Å; Q63-G390 WeakPolarHBondContact O-CA 3.36Å; Q63-G390 PolarHBondContact O-N 3.33Å |
| 64 | E | 96.8 | Very high | 98 | Very high | 53 Ų | 53 | 33.1 Ų | 33.1 | 25% | 0.248 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -8.2 | 179.1 | -71.4 | 177.4 | -175.5 | 0 | 0 | 113.6 | Q60 A62 R331 S389 | Q60-E64 HydrophobicContact CG-CG 4.29Å; Q60-E64 VanDerWaalsContact CG-OE1 3.27Å; Q60-E64 WeakPolarHBondContact CG-OE1 3.24Å; Q60-E64 PolarHBondContact NE2-OE1 3.18Å; Q60-E64 WeakPolarHBondContact O-CB 3.39Å; Q60-E64 WeakPolarHBondContact O-CG 3.46Å; Q60-E64 PolarHBondContact O-N 3.09Å; A62-E64 VanDerWaalsContact C-N 3.32Å; A62-E64 PolarHBondContact O-N 3.34Å; E64-R331 IonicContact OE2-CZ 3.95Å; E64-R331 IonicContact OE2-NE 2.82Å; E64-R331 IonicContact OE2-NH2 3.75Å; E64-R331 PolarHBondContact OE2-NH2 3.15Å; E64-S389 WeakPolarHBondContact O-CB 3.32Å; E64-S389 PolarHBondContact O-OG 3.07Å |
| 65 | G | 97.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -141.5 | -144.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L61 A62 Q63 L381 P388 S389 G390 R391 | L61-G65 PolarHBondContact O-N 3.44Å; A62-G65 CarbonylContact O-C 3.4Å; A62-G65 PolarHBondContact O-N 3.09Å; Q63-G65 VanDerWaalsContact C-N 3.29Å; Q63-G65 PolarHBondContact O-N 2.84Å; G65-L381 CarbonylContact C-O 3.58Å; G65-L381 VanDerWaalsContact CA-O 3.3Å; G65-L381 WeakPolarHBondContact CA-O 3.22Å; G65-P388 CarbonylContact C-O 3.45Å; G65-S389 CarbonylContact O-C 3.55Å; G65-G390 PolarHBondContact O-N 2.76Å; G65-R391 PolarHBondContact O-N 3.23Å; G65-R391 VanDerWaalsContact O-N 3.13Å |
| 66 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.9 | 176.9 | 168.2 | 0 | 0 | 0 | 0 | 109.8 | L68 I380 L381 I387 R391 I393 L429 | V66-L68 HydrophobicContact CG1-CD2 3.75Å; V66-L68 HydrophobicContact CG1-CG 4.46Å; V66-I380 WeakPolarHBondContact O-CA 3.26Å; V66-L381 PolarHBondContact N-O 3.45Å; V66-L381 PolarHBondContact O-N 3.18Å; V66-I387 HydrophobicContact CB-CG2 4.18Å; V66-I387 HydrophobicContact CG2-CG2 3.38Å; V66-R391 CarbonylContact C-O 3.52Å; V66-R391 VanDerWaalsContact CA-O 3.29Å; V66-R391 WeakPolarHBondContact CA-O 3.43Å; V66-R391 HydrophobicContact CG2-CB 3.97Å; V66-R391 HydrophobicContact CG2-CG 4.39Å; V66-I393 HydrophobicContact CG1-CB 4.37Å; V66-I393 HydrophobicContact CG1-CD1 3.63Å; V66-I393 HydrophobicContact CG1-CG1 3.79Å; V66-I393 HydrophobicContact CG2-CD1 4.44Å; V66-L429 HydrophobicContact CB-CD2 4.04Å; V66-L429 HydrophobicContact CG1-CD2 3.84Å; V66-L429 HydrophobicContact CG2-CD2 4.28Å |
| 67 | K | 98.6 | Very high | 98.2 | Very high | 40 Ų | 40 | 21.7 Ų | 21.7 | 17% | 0.174 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120 | 168.3 | -173.3 | -175.4 | 68 | -177.7 | 0 | 109.8 | C47 Y48 R391 E392 I393 | C47-K67 VanDerWaalsContact O-CD 3.32Å; C47-K67 WeakPolarHBondContact O-CD 3.47Å; C47-K67 PolarHBondContact O-NZ 3.49Å; C47-K67 VanDerWaalsContact O-NZ 3.12Å; Y48-K67 HydrophobicContact CD2-CD 4.36Å; Y48-K67 HydrophobicContact CE1-CD 4.27Å; Y48-K67 HydrophobicContact CE1-CG 4.12Å; Y48-K67 HydrophobicContact CE2-CD 4.06Å; Y48-K67 HydrophobicContact CE2-CG 3.88Å; Y48-K67 WeakPolarHBondContact OH-CG 3.42Å; K67-R391 PolarHBondContact N-O 3.44Å; K67-E392 WeakPolarHBondContact CE-OE2 3.35Å; K67-E392 IonicContact NZ-OE2 3.13Å; K67-E392 PolarHBondContact NZ-OE2 2.96Å; K67-E392 WeakPolarHBondContact O-CA 3.28Å; K67-I393 PolarHBondContact O-N 2.92Å |
| 68 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119.6 | 175 | -54 | 179.2 | 0 | 0 | 0 | 109.2 | Y48 V66 H71 G379 L381 I393 L429 | Y48-L68 WeakPolarHBondContact CE1-O 3.48Å; Y48-L68 PolarHBondContact OH-O 3.36Å; V66-L68 HydrophobicContact CG1-CD2 3.75Å; V66-L68 HydrophobicContact CG1-CG 4.46Å; L68-H71 HydrophobicContact CB-CB 3.83Å; L68-H71 HydrophobicContact CD1-CB 4.27Å; L68-H71 WeakPolarHBondContact CD1-ND1 3.48Å; L68-G379 VanDerWaalsContact CB-O 3.32Å; L68-G379 WeakPolarHBondContact CB-O 3.49Å; L68-G379 WeakPolarHBondContact CG-O 3.43Å; L68-G379 PolarHBondContact N-O 3.32Å; L68-L381 HydrophobicContact CD1-CD1 3.63Å; L68-L381 HydrophobicContact CG-CD1 4.12Å; L68-I393 CarbonylContact C-O 3.51Å; L68-I393 WeakPolarHBondContact CA-O 3.46Å; L68-I393 HydrophobicContact CD2-CB 3.87Å; L68-I393 HydrophobicContact CD2-CD1 4.36Å; L68-I393 HydrophobicContact CD2-CG2 4.26Å; L68-L429 HydrophobicContact CD2-CD2 4.38Å |
| 69 | T | 98.1 | Very high | 98.1 | Very high | 24 Ų | 24 | 20.1 Ų | 20.1 | 15% | 0.147 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -95.6 | -12.7 | -179 | 55 | 0 | 0 | 0 | 0 | 113.6 | R376 E392 I393 D394 | T69-R376 PolarHBondContact O-NH1 3.2Å; T69-E392 VanDerWaalsContact CG2-CD 3.41Å; T69-E392 HydrophobicContact CG2-CG 3.49Å; T69-E392 VanDerWaalsContact CG2-CG 3.49Å; T69-E392 WeakPolarHBondContact CG2-OE1 3.33Å; T69-I393 PolarHBondContact N-O 3.45Å; T69-I393 PolarHBondContact OG1-O 2.99Å; T69-D394 WeakPolarHBondContact OG1-CA 3.36Å |
| 70 | H | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 18.9 Ų | 18.9 | 5% | 0.046 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -122.5 | 38 | 177.5 | -155.1 | 155.9 | 0 | 0 | 0 | 112.4 | R376 D394 T397 R453 | H70-R376 VanDerWaalsContact CD2-CZ 3.45Å; H70-R376 PolarHBondContact CD2-NH2 2.91Å; H70-R376 PolarHBondContact CE1-NH2 2.69Å; H70-R376 VanDerWaalsContact CE1-NH2 3.32Å; H70-R376 PolarHBondContact NE2-NH2 2.73Å; H70-D394 WeakPolarHBondContact CB-O 3.22Å; H70-D394 PolarHBondContact ND1-O 3.37Å; H70-T397 PolarHBondContact O-N 3.46Å; H70-T397 VanDerWaalsContact O-N 3.13Å; H70-R453 PolarHBondContact CD2-NH1 3.23Å; H70-R453 VanDerWaalsContact CD2-NH1 3.26Å; H70-R453 PolarHBondContact NE2-NE 3.23Å; H70-R453 PolarHBondContact NE2-NH1 2.6Å; H70-R453 VanDerWaalsContact NE2-NH1 3.14Å |
| 71 | H | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 134.4 | 176.7 | -157.6 | 53.6 | 0 | 0 | 0 | 111.5 | L68 Y337 R376 V377 T397 S398 N399 | L68-H71 HydrophobicContact CB-CB 3.83Å; L68-H71 HydrophobicContact CD1-CB 4.27Å; L68-H71 WeakPolarHBondContact CD1-ND1 3.48Å; H71-Y337 AromaticContact NE2-CE2 3.67Å; H71-Y337 AromaticContact NE2-CZ 3.63Å; H71-Y337 PolarHBondContact NE2-OH 3.27Å; H71-R376 WeakPolarHBondContact O-CA 3.42Å; H71-R376 WeakPolarHBondContact O-CG 3.39Å; H71-V377 PolarHBondContact O-N 2.69Å; H71-T397 CarbonylContact C-O 3.59Å; H71-T397 WeakPolarHBondContact CA-O 3.48Å; H71-T397 WeakPolarHBondContact CA-OG1 3.46Å; H71-T397 WeakPolarHBondContact ND1-CB 3.27Å; H71-T397 PolarHBondContact ND1-OG1 2.85Å; H71-S398 PolarHBondContact CE1-O 3.46Å; H71-S398 VanDerWaalsContact CE1-O 3.27Å; H71-N399 PolarHBondContact CD2-OD1 3.4Å; H71-N399 VanDerWaalsContact CD2-OD1 3.32Å; H71-N399 PolarHBondContact NE2-OD1 2.8Å |
| 72 | V | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.012 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 135.9 | -179.4 | -66.9 | 0 | 0 | 0 | 0 | 115.2 | I375 R376 T397 S398 N399 L441 R453 | V72-I375 CarbonylContact C-O 3.53Å; V72-I375 WeakPolarHBondContact CA-O 3.38Å; V72-I375 HydrophobicContact CG1-CD1 4.38Å; V72-I375 HydrophobicContact CG1-CG1 4.39Å; V72-R376 HydrophobicContact CG1-CB 4.46Å; V72-T397 VanDerWaalsContact CG2-O 3.24Å; V72-T397 WeakPolarHBondContact CG2-O 3.43Å; V72-T397 PolarHBondContact N-O 3.43Å; V72-S398 CarbonylContact O-C 3.44Å; V72-S398 WeakPolarHBondContact O-CA 3.34Å; V72-S398 PolarHBondContact O-OG 3.34Å; V72-N399 PolarHBondContact O-N 3.28Å; V72-L441 HydrophobicContact CG2-CD1 4Å; V72-R453 VanDerWaalsContact CG1-NH2 3.35Å |
| 73 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -63.2 | 145.5 | 161 | 0 | 0 | 0 | 0 | 0 | 110.8 | A75 D341 I375 V377 | A73-A75 WeakPolarHBondContact CB-O 3.36Å; A73-A75 PolarHBondContact O-N 3.39Å; A73-D341 WeakPolarHBondContact CB-O 3.41Å; A73-I375 PolarHBondContact N-O 2.98Å; A73-V377 HydrophobicContact CB-CG1 4.19Å | ||
| 74 | A | 97.3 | Very high | 98.2 | Very high | 4 Ų | 4 | 8.3 Ų | 8.3 | 3% | 0.033 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -73.9 | -15.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A84 M400 | A74-A84 HydrophobicContact CB-CB 3.41Å; A74-A84 VanDerWaalsContact CB-CB 3.41Å; A74-M400 HydrophobicContact CB-CE 4.21Å; A74-M400 HydrophobicContact CB-CG 3.77Å; A74-M400 HydrophobicContact CB-SD 3.81Å |
| 75 | A | 98.2 | Very high | 98.3 | Very high | 5 Ų | 5 | 5.9 Ų | 5.9 | 4% | 0.041 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -151.7 | 156.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | A73 L77 P80 P91 | A73-A75 WeakPolarHBondContact CB-O 3.36Å; A73-A75 PolarHBondContact O-N 3.39Å; A75-L77 VanDerWaalsContact C-N 3.28Å; A75-L77 PolarHBondContact O-N 2.89Å; A75-P80 HydrophobicContact CB-CB 3.68Å; A75-P80 HydrophobicContact CB-CG 3.73Å; A75-P91 HydrophobicContact CB-CG 4.23Å |
| 76 | S | 97.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 5.9 Ų | 5.9 | 3% | 0.028 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -90.9 | 19 | 179.9 | 59.3 | 0 | 0 | 0 | 0 | 114 | S368 T369 | S76-S368 PolarHBondContact O-N 2.93Å; S76-T369 WeakPolarHBondContact CB-O 3.44Å; S76-T369 PolarHBondContact OG-N 2.95Å; S76-T369 PolarHBondContact OG-O 3.41Å |
| 77 | L | 97.3 | Very high | 98.4 | Very high | 24 Ų | 24 | 5.9 Ų | 5.9 | 13% | 0.126 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -139.1 | 149 | 179.5 | -71 | 177.7 | 0 | 0 | 0 | 110.7 | A75 T79 P80 S81 V104 Q342 K367 N446 | A75-L77 VanDerWaalsContact C-N 3.28Å; A75-L77 PolarHBondContact O-N 2.89Å; L77-T79 PolarHBondContact O-N 3.4Å; L77-P80 HydrophobicContact CB-CG 3.8Å; L77-P80 WeakPolarHBondContact O-CD 3.41Å; L77-P80 WeakPolarHBondContact O-CG 3.39Å; L77-S81 VanDerWaalsContact O-CB 3.28Å; L77-S81 WeakPolarHBondContact O-CB 3.21Å; L77-S81 PolarHBondContact O-N 2.87Å; L77-V104 HydrophobicContact CB-CG1 3.93Å; L77-V104 HydrophobicContact CD1-CG1 4.42Å; L77-Q342 PolarHBondContact O-OE1 3.15Å; L77-K367 HydrophobicContact CD2-CG 4.33Å; L77-N446 WeakPolarHBondContact CD1-OD1 3.45Å |
| 78 | C | 97.4 | Very high | 98.4 | Very high | 2 Ų | 2 | 4 Ų | 4 | 1% | 0.014 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -55.4 | -61.3 | -169.7 | -41.6 | 0 | 0 | 0 | 0 | 113.4 | S81 R82 K137 H139 D341 Q342 | C78-S81 PolarHBondContact O-N 3.36Å; C78-R82 WeakPolarHBondContact O-CB 3.28Å; C78-R82 VanDerWaalsContact O-CD 3.31Å; C78-R82 WeakPolarHBondContact O-CD 3.23Å; C78-R82 VanDerWaalsContact O-CG 3.23Å; C78-R82 WeakPolarHBondContact O-CG 3.35Å; C78-R82 PolarHBondContact O-N 3.25Å; C78-K137 PolarHBondContact SG-NZ 3.06Å; C78-H139 VanDerWaalsContact CB-ND1 3.26Å; C78-H139 WeakPolarHBondContact CB-ND1 3.28Å; C78-D341 WeakPolarHBondContact CB-OD2 3.37Å; C78-Q342 VanDerWaalsContact CA-OE1 3.24Å; C78-Q342 VanDerWaalsContact N-OE1 3.14Å; C78-Q342 PolarHBondContact SG-NE2 2.9Å |
| 79 | T | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -54.9 | -55.3 | -174.8 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | L77 S81 A83 V96 V104 F105 H139 L140 | L77-T79 PolarHBondContact O-N 3.4Å; T79-S81 PolarHBondContact O-N 2.99Å; T79-A83 PolarHBondContact O-N 3.19Å; T79-A83 VanDerWaalsContact O-N 3.09Å; T79-V96 HydrophobicContact CG2-CG1 3.46Å; T79-V96 VanDerWaalsContact CG2-CG1 3.46Å; T79-V104 WeakPolarHBondContact OG1-CB 3.44Å; T79-F105 HydrophobicContact CG2-CD2 3.49Å; T79-F105 VanDerWaalsContact CG2-CD2 3.49Å; T79-F105 HydrophobicContact CG2-CE2 3.48Å; T79-F105 VanDerWaalsContact CG2-CE2 3.48Å; T79-F105 HydrophobicContact CG2-CG 4.49Å; T79-F105 HydrophobicContact CG2-CZ 4.47Å; T79-F105 PolarHBondContact OG1-N 2.7Å; T79-H139 PolarHBondContact OG1-CD2 3.03Å; T79-H139 VanDerWaalsContact OG1-CD2 3.29Å; T79-H139 PolarHBondContact OG1-CE1 3.32Å; T79-H139 PolarHBondContact OG1-ND1 3.32Å; T79-H139 PolarHBondContact OG1-NE2 3.48Å; T79-H139 PolarHBondContact OG1-O 3.3Å; T79-L140 HydrophobicContact CG2-CD2 4.19Å; T79-L140 VanDerWaalsContact O-CD2 3.27Å; T79-L140 WeakPolarHBondContact O-CD2 3.28Å |
| 80 | P | 98.4 | Very high | 98.4 | Very high | 4 Ų | 4 | 4.3 Ų | 4.3 | 3% | 0.026 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 178.2 | 22.1 | -31.6 | 0 | 0 | 0 | 112.9 | A75 L77 R82 A83 A84 P91 G103 | A75-P80 HydrophobicContact CB-CB 3.68Å; A75-P80 HydrophobicContact CB-CG 3.73Å; L77-P80 HydrophobicContact CB-CG 3.8Å; L77-P80 WeakPolarHBondContact O-CD 3.41Å; L77-P80 WeakPolarHBondContact O-CG 3.39Å; P80-R82 PolarHBondContact O-N 2.89Å; P80-A83 PolarHBondContact O-N 3.49Å; P80-A84 PolarHBondContact O-N 3.1Å; P80-P91 HydrophobicContact CB-CB 3.61Å; P80-P91 HydrophobicContact CB-CG 3.57Å; P80-P91 WeakPolarHBondContact O-CG 3.37Å; P80-G103 WeakPolarHBondContact CD-O 3.43Å |
| 81 | S | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -63.9 | -43.5 | -179 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | L77 C78 T79 A83 A84 F85 D341 | L77-S81 VanDerWaalsContact O-CB 3.28Å; L77-S81 WeakPolarHBondContact O-CB 3.21Å; L77-S81 PolarHBondContact O-N 2.87Å; C78-S81 PolarHBondContact O-N 3.36Å; T79-S81 PolarHBondContact O-N 2.99Å; S81-A83 PolarHBondContact O-N 3.1Å; S81-A84 PolarHBondContact O-N 2.9Å; S81-F85 WeakPolarHBondContact O-CB 3.46Å; S81-F85 PolarHBondContact O-N 3.07Å; S81-D341 WeakPolarHBondContact CB-O 3.43Å; S81-D341 PolarHBondContact OG-O 2.86Å |
| 82 | R | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.008 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -64.7 | -39.3 | 176.4 | -69.9 | 161.3 | 179.8 | -80.2 | -9.2 | 112.2 | M36 D38 C78 P80 A84 F85 L86 K137 L140 S284 D341 | M36-R82 HydrophobicContact SD-CG 4.12Å; D38-R82 IonicContact OD1-NH2 2.73Å; C78-R82 WeakPolarHBondContact O-CB 3.28Å; C78-R82 VanDerWaalsContact O-CD 3.31Å; C78-R82 WeakPolarHBondContact O-CD 3.23Å; C78-R82 VanDerWaalsContact O-CG 3.23Å; C78-R82 WeakPolarHBondContact O-CG 3.35Å; C78-R82 PolarHBondContact O-N 3.25Å; P80-R82 PolarHBondContact O-N 2.89Å; R82-A84 VanDerWaalsContact C-N 3.31Å; R82-A84 PolarHBondContact O-N 2.99Å; R82-F85 PolarHBondContact O-N 2.86Å; R82-L86 WeakPolarHBondContact O-CG 3.36Å; R82-L86 PolarHBondContact O-N 3.24Å; R82-L86 VanDerWaalsContact O-N 3.09Å; R82-K137 PolarHBondContact NH1-O 3.45Å; R82-L140 HydrophobicContact CB-CD1 4.37Å; R82-L140 HydrophobicContact CB-CD2 4.43Å; R82-L140 HydrophobicContact CB-CG 4.48Å; R82-S284 PolarHBondContact NH1-OG 3.08Å; R82-D341 HydrophobicContact CG-CB 4.23Å; R82-D341 IonicContact CZ-OD2 3.89Å; R82-D341 IonicContact NE-OD2 2.75Å; R82-D341 PolarHBondContact NE-OD2 3.46Å; R82-D341 IonicContact NH2-OD2 3.44Å; R82-D341 PolarHBondContact NH2-OD2 2.83Å |
| 83 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | T79 P80 S81 L86 T87 V96 L114 L140 | T79-A83 PolarHBondContact O-N 3.19Å; T79-A83 VanDerWaalsContact O-N 3.09Å; P80-A83 PolarHBondContact O-N 3.49Å; S81-A83 PolarHBondContact O-N 3.1Å; A83-L86 PolarHBondContact O-N 2.95Å; A83-T87 WeakPolarHBondContact O-CB 3.25Å; A83-T87 WeakPolarHBondContact O-CG2 3.24Å; A83-T87 PolarHBondContact O-N 2.97Å; A83-T87 PolarHBondContact O-OG1 2.61Å; A83-V96 HydrophobicContact CB-CB 3.87Å; A83-V96 HydrophobicContact CB-CG1 3.9Å; A83-V96 HydrophobicContact CB-CG2 3.97Å; A83-L114 HydrophobicContact CB-CD1 4.38Å; A83-L140 HydrophobicContact CB-CD2 3.72Å |
| 84 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -68.2 | -41.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A74 P80 S81 R82 L86 T87 G88 R89 P91 M400 | A74-A84 HydrophobicContact CB-CB 3.41Å; A74-A84 VanDerWaalsContact CB-CB 3.41Å; P80-A84 PolarHBondContact O-N 3.1Å; S81-A84 PolarHBondContact O-N 2.9Å; R82-A84 VanDerWaalsContact C-N 3.31Å; R82-A84 PolarHBondContact O-N 2.99Å; A84-L86 VanDerWaalsContact C-N 3.34Å; A84-L86 PolarHBondContact O-N 3.37Å; A84-T87 PolarHBondContact O-N 2.82Å; A84-G88 WeakPolarHBondContact O-CA 3.39Å; A84-G88 PolarHBondContact O-N 3.35Å; A84-R89 WeakPolarHBondContact CA-O 3.32Å; A84-R89 WeakPolarHBondContact CB-O 3.41Å; A84-P91 HydrophobicContact CB-CG 4.19Å; A84-M400 HydrophobicContact CB-CG 3.99Å; A84-M400 HydrophobicContact CB-SD 4.3Å |
| 85 | F | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 6 Ų | 6 | 0% | 0.004 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -56.1 | -47.4 | 174.3 | 173.6 | -110.9 | 0 | 0 | 0 | 112 | L34 M36 S81 R82 T87 F121 F282 Y337 N399 L402 | L34-F85 HydrophobicContact CB-CZ 4.18Å; L34-F85 HydrophobicContact CD1-CE1 4.4Å; L34-F85 HydrophobicContact CD1-CZ 3.93Å; M36-F85 HydrophobicContact CE-CB 3.97Å; M36-F85 HydrophobicContact CE-CD1 3.57Å; M36-F85 HydrophobicContact CE-CD2 3.74Å; M36-F85 HydrophobicContact CE-CE1 3.93Å; M36-F85 HydrophobicContact CE-CE2 4.11Å; M36-F85 HydrophobicContact CE-CG 3.46Å; M36-F85 VanDerWaalsContact CE-CG 3.46Å; M36-F85 HydrophobicContact CE-CZ 4.18Å; S81-F85 WeakPolarHBondContact O-CB 3.46Å; S81-F85 PolarHBondContact O-N 3.07Å; R82-F85 PolarHBondContact O-N 2.86Å; F85-T87 PolarHBondContact O-N 2.81Å; F85-F121 AromaticContact CD1-CE1 3.98Å; F85-F121 HydrophobicContact CD1-CE1 3.98Å; F85-F121 HydrophobicContact CD1-CZ 4.23Å; F85-F121 AromaticContact CE1-CE1 3.69Å; F85-F121 HydrophobicContact CE1-CE1 3.69Å; F85-F121 AromaticContact CE1-CZ 3.6Å; F85-F121 HydrophobicContact CE1-CZ 3.6Å; F85-F121 HydrophobicContact CE2-CE1 4.47Å; F85-F121 AromaticContact CZ-CE1 3.96Å; F85-F121 HydrophobicContact CZ-CE1 3.96Å; F85-F121 HydrophobicContact CZ-CZ 4.01Å; F85-F121 WeakPolarHBondContact O-CE1 3.34Å; F85-F282 HydrophobicContact CD1-CE1 4.27Å; F85-F282 HydrophobicContact CD1-CE2 4.32Å; F85-F282 AromaticContact CD1-CZ 3.89Å; F85-F282 HydrophobicContact CD1-CZ 3.89Å; F85-F282 HydrophobicContact CE1-CD1 4.45Å; F85-F282 HydrophobicContact CE1-CD2 4.09Å; F85-F282 HydrophobicContact CE1-CE1 4.05Å; F85-F282 AromaticContact CE1-CE2 3.61Å; F85-F282 HydrophobicContact CE1-CE2 3.61Å; F85-F282 AromaticContact CE1-CZ 3.61Å; F85-F282 HydrophobicContact CE1-CZ 3.61Å; F85-F282 HydrophobicContact CZ-CE2 4.37Å; F85-Y337 HydrophobicContact CD2-CE1 4.45Å; F85-Y337 HydrophobicContact CE2-CD1 4.14Å; F85-Y337 AromaticContact CE2-CE1 3.56Å; F85-Y337 HydrophobicContact CE2-CE1 3.56Å; F85-Y337 HydrophobicContact CZ-CD1 4.37Å; F85-Y337 HydrophobicContact CZ-CE1 4.15Å; F85-N399 HydrophobicContact CD2-CB 4.28Å; F85-N399 WeakPolarHBondContact CD2-O 3.37Å; F85-L402 HydrophobicContact CD2-CB 4.35Å; F85-L402 HydrophobicContact CE2-CB 3.74Å; F85-L402 HydrophobicContact CE2-CG 4.06Å |
| 86 | L | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -71 | -29.4 | -177.7 | -68.5 | 172.8 | 0 | 0 | 0 | 113.7 | R82 A83 A84 T120 F121 W138 L140 F159 F282 F403 | R82-L86 WeakPolarHBondContact O-CG 3.36Å; R82-L86 PolarHBondContact O-N 3.24Å; R82-L86 VanDerWaalsContact O-N 3.09Å; A83-L86 PolarHBondContact O-N 2.95Å; A84-L86 VanDerWaalsContact C-N 3.34Å; A84-L86 PolarHBondContact O-N 3.37Å; L86-T120 HydrophobicContact CB-CG2 3.94Å; L86-T120 CarbonylContact O-C 3.47Å; L86-T120 WeakPolarHBondContact O-CA 3.49Å; L86-F121 HydrophobicContact CD2-CE1 3.75Å; L86-F121 HydrophobicContact CD2-CE2 4.22Å; L86-F121 HydrophobicContact CD2-CZ 3.51Å; L86-F121 WeakPolarHBondContact O-CD1 3.47Å; L86-F121 PolarHBondContact O-N 2.97Å; L86-W138 HydrophobicContact CD1-CE3 4.26Å; L86-W138 HydrophobicContact CD1-CH2 3.48Å; L86-W138 VanDerWaalsContact CD1-CH2 3.48Å; L86-W138 HydrophobicContact CD1-CZ3 3.23Å; L86-L140 HydrophobicContact CD1-CD1 3.39Å; L86-F159 HydrophobicContact CD2-CE2 4.38Å; L86-F159 HydrophobicContact CD2-CZ 4.16Å; L86-F282 HydrophobicContact CD2-CD1 4.06Å; L86-F282 HydrophobicContact CD2-CE1 3.97Å; L86-F403 VanDerWaalsContact O-CD2 3.25Å; L86-F403 WeakPolarHBondContact O-CD2 3.44Å |
| 87 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -108.9 | -11.4 | -169.8 | 60 | 0 | 0 | 0 | 0 | 114.3 | A83 A84 F85 R89 L114 E118 F403 | A83-T87 WeakPolarHBondContact O-CB 3.25Å; A83-T87 WeakPolarHBondContact O-CG2 3.24Å; A83-T87 PolarHBondContact O-N 2.97Å; A83-T87 PolarHBondContact O-OG1 2.61Å; A84-T87 PolarHBondContact O-N 2.82Å; F85-T87 PolarHBondContact O-N 2.81Å; T87-R89 PolarHBondContact O-N 2.75Å; T87-R89 PolarHBondContact OG1-N 2.96Å; T87-L114 HydrophobicContact CG2-CD1 4.15Å; T87-L114 HydrophobicContact CG2-CD2 4.29Å; T87-E118 HydrophobicContact CG2-CB 4.1Å; T87-F403 VanDerWaalsContact C-CD2 3.45Å |
| 88 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 22 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A84 M400 F403 D421 G422 | A84-G88 WeakPolarHBondContact O-CA 3.39Å; A84-G88 PolarHBondContact O-N 3.35Å; G88-M400 WeakPolarHBondContact CA-O 3.24Å; G88-F403 VanDerWaalsContact CA-CB 3.49Å; G88-D421 PolarHBondContact O-N 3.47Å; G88-G422 PolarHBondContact O-N 3.07Å |
| 89 | R | 98.7 | Very high | 97.1 | Very high | 23 Ų | 23 | 9.2 Ų | 9.2 | 9% | 0.087 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -130.3 | 144.6 | -170.6 | -74.3 | 161.3 | 59.4 | 82.4 | -4.9 | 111.2 | A84 T87 R93 E118 M400 E419 I420 D421 | A84-R89 WeakPolarHBondContact CA-O 3.32Å; A84-R89 WeakPolarHBondContact CB-O 3.41Å; T87-R89 PolarHBondContact O-N 2.75Å; T87-R89 PolarHBondContact OG1-N 2.96Å; R89-R93 HydrophobicContact CB-CB 4.5Å; R89-R93 PolarHBondContact NH2-O 2.91Å; R89-E118 IonicContact CZ-OE2 3.18Å; R89-E118 IonicContact NE-OE2 2.74Å; R89-E118 PolarHBondContact NE-OE2 2.83Å; R89-M400 VanDerWaalsContact C-SD 3.59Å; R89-E419 VanDerWaalsContact CG-O 3.25Å; R89-E419 WeakPolarHBondContact CG-O 3.48Å; R89-E419 PolarHBondContact NH1-O 3.4Å; R89-I420 HydrophobicContact CG-CD1 3.98Å; R89-D421 VanDerWaalsContact CA-OD2 3.28Å; R89-D421 WeakPolarHBondContact CA-OD2 3.08Å |
| 90 | Y | 98.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 12.5 Ų | 12.5 | 3% | 0.031 | 6% | 0.064 | C | C | . | . | trans | -57.5 | 143 | 172.9 | -74.9 | -68.5 | 0 | 0 | 0 | 111.3 | I92 R93 M400 D421 F442 Y444 H536 | Y90-I92 PolarHBondContact O-N 3.21Å; Y90-I92 VanDerWaalsContact O-N 3.08Å; Y90-R93 WeakPolarHBondContact O-CB 3.43Å; Y90-R93 PolarHBondContact O-N 3.12Å; Y90-M400 HydrophobicContact CD1-CE 3.95Å; Y90-M400 HydrophobicContact CD1-SD 4.06Å; Y90-M400 HydrophobicContact CE1-CE 3.47Å; Y90-M400 VanDerWaalsContact CE1-CE 3.47Å; Y90-M400 HydrophobicContact CE1-SD 4.22Å; Y90-M400 HydrophobicContact CE2-CE 4.1Å; Y90-M400 HydrophobicContact CG-CE 4.43Å; Y90-M400 HydrophobicContact CG-SD 4.27Å; Y90-D421 HydrophobicContact CD2-CB 3.78Å; Y90-D421 VanDerWaalsContact CD2-OD1 3.28Å; Y90-D421 WeakPolarHBondContact CD2-OD1 3.29Å; Y90-D421 WeakPolarHBondContact CD2-OD2 3.35Å; Y90-D421 HydrophobicContact CE2-CB 3.73Å; Y90-D421 PolarHBondContact N-OD2 2.9Å; Y90-F442 HydrophobicContact CE1-CB 4.33Å; Y90-F442 WeakPolarHBondContact CE1-O 3.43Å; Y90-F442 HydrophobicContact CE2-CB 4.37Å; Y90-F442 HydrophobicContact CE2-CD2 4.01Å; Y90-F442 PolarHBondContact OH-N 3.31Å; Y90-Y444 HydrophobicContact CD1-CD2 4.32Å; Y90-H536 AromaticContact CD2-CE1 3.66Å; Y90-H536 AromaticContact CE2-CE1 3.83Å | ||
| 91 | P | 98 | Very high | 95.9 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.013 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.9 | -29.7 | -176.6 | -23.1 | 31.7 | 0 | 0 | 0 | 114.1 | A75 P80 A84 R93 S94 G95 V96 A97 | A75-P91 HydrophobicContact CB-CG 4.23Å; P80-P91 HydrophobicContact CB-CB 3.61Å; P80-P91 HydrophobicContact CB-CG 3.57Å; P80-P91 WeakPolarHBondContact O-CG 3.37Å; A84-P91 HydrophobicContact CB-CG 4.19Å; P91-R93 PolarHBondContact O-N 3.21Å; P91-S94 PolarHBondContact O-N 2.85Å; P91-S94 PolarHBondContact O-OG 2.85Å; P91-S94 VanDerWaalsContact O-OG 3.12Å; P91-G95 PolarHBondContact O-N 2.75Å; P91-V96 WeakPolarHBondContact CB-O 3.36Å; P91-V96 PolarHBondContact O-N 3.39Å; P91-V96 VanDerWaalsContact O-N 3.15Å; P91-A97 HydrophobicContact CB-CB 4.28Å |
| 92 | I | 97.4 | Very high | 95.1 | Very high | 33 Ų | 33 | 19.5 Ų | 19.5 | 17% | 0.169 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.6 | -26.2 | 175.6 | -165.1 | 60.4 | 0 | 0 | 0 | 112.8 | Y90 A97 Y444 V540 V543 | Y90-I92 PolarHBondContact O-N 3.21Å; Y90-I92 VanDerWaalsContact O-N 3.08Å; I92-A97 HydrophobicContact CD1-CB 4.15Å; I92-Y444 HydrophobicContact CB-CE1 4.28Å; I92-Y444 HydrophobicContact CG1-CE1 4.34Å; I92-Y444 HydrophobicContact CG2-CE1 4.18Å; I92-Y444 HydrophobicContact CG2-CE2 4.17Å; I92-V540 HydrophobicContact CB-CG1 4.45Å; I92-V540 HydrophobicContact CG1-CG1 3.82Å; I92-V540 HydrophobicContact CG2-CG1 3.86Å; I92-V540 HydrophobicContact CG2-CG2 4.14Å; I92-V543 VanDerWaalsContact O-CG2 3.23Å; I92-V543 WeakPolarHBondContact O-CG2 3.48Å |
| 93 | R | 98.1 | Very high | 94.6 | Very high | 14 Ų | 14 | 19.6 Ų | 19.6 | 5% | 0.053 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -81.6 | -26.6 | 179.8 | -56.4 | -172.8 | -174.3 | -79.5 | 6.1 | 113.3 | R89 Y90 P91 D421 S539 | R89-R93 HydrophobicContact CB-CB 4.5Å; R89-R93 PolarHBondContact NH2-O 2.91Å; Y90-R93 WeakPolarHBondContact O-CB 3.43Å; Y90-R93 PolarHBondContact O-N 3.12Å; P91-R93 PolarHBondContact O-N 3.21Å; R93-D421 WeakPolarHBondContact CD-OD2 3.2Å; R93-D421 IonicContact CZ-OD1 3.65Å; R93-D421 VanDerWaalsContact CZ-OD1 3.27Å; R93-D421 IonicContact CZ-OD2 2.74Å; R93-D421 VanDerWaalsContact NE-CG 3.29Å; R93-D421 IonicContact NE-OD1 3.2Å; R93-D421 PolarHBondContact NE-OD1 2.93Å; R93-D421 IonicContact NE-OD2 2.85Å; R93-D421 PolarHBondContact NE-OD2 3.03Å; R93-D421 IonicContact NH2-OD1 4Å; R93-D421 PolarHBondContact NH2-OD1 2.91Å; R93-S539 PolarHBondContact NH1-O 3.48Å; R93-S539 VanDerWaalsContact NH1-O 3.11Å; R93-S539 PolarHBondContact NH1-OG 3.24Å; R93-S539 PolarHBondContact NH2-OG 2.97Å |
| 94 | S | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -93.8 | -9.2 | 178.6 | 58.4 | 0 | 0 | 0 | 0 | 113 | P91 V96 | P91-S94 PolarHBondContact O-N 2.85Å; P91-S94 PolarHBondContact O-OG 2.85Å; P91-S94 VanDerWaalsContact O-OG 3.12Å; S94-V96 VanDerWaalsContact C-N 3.27Å |
| 95 | G | 95.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 1.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P91 A97 E544 Q546 | P91-G95 PolarHBondContact O-N 2.75Å; G95-A97 PolarHBondContact O-N 3.31Å; G95-E544 WeakPolarHBondContact CA-O 3.35Å; G95-Q546 WeakPolarHBondContact O-CB 3.44Å; G95-Q546 PolarHBondContact O-N 3.05Å |
| 96 | V | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -84.9 | 48.2 | 177.4 | -167 | 0 | 0 | 0 | 0 | 110 | T79 A83 P91 S94 L114 L140 | T79-V96 HydrophobicContact CG2-CG1 3.46Å; T79-V96 VanDerWaalsContact CG2-CG1 3.46Å; A83-V96 HydrophobicContact CB-CB 3.87Å; A83-V96 HydrophobicContact CB-CG1 3.9Å; A83-V96 HydrophobicContact CB-CG2 3.97Å; P91-V96 WeakPolarHBondContact CB-O 3.36Å; P91-V96 PolarHBondContact O-N 3.39Å; P91-V96 VanDerWaalsContact O-N 3.15Å; S94-V96 VanDerWaalsContact C-N 3.27Å; V96-L114 HydrophobicContact CG2-CD1 4.1Å; V96-L140 HydrophobicContact CG1-CD2 4.36Å | ||
| 97 | A | 93.3 | Very high | 94 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 4% | 0.041 | 12% | 0.122 | C | C | . | . | trans | -148.9 | 140.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | P91 I92 G95 S545 | P91-A97 HydrophobicContact CB-CB 4.28Å; I92-A97 HydrophobicContact CD1-CB 4.15Å; G95-A97 PolarHBondContact O-N 3.31Å; A97-S545 PolarHBondContact O-OG 2.94Å | ||
| 98 | G | 89 | Confident | 93.9 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | trans | -145.6 | 155 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | L100 N446 S447 | G98-L100 VanDerWaalsContact C-N 3.26Å; G98-L100 PolarHBondContact O-N 3.45Å; G98-N446 WeakPolarHBondContact O-CB 3.25Å; G98-S447 PolarHBondContact O-OG 3.36Å; G98-S447 VanDerWaalsContact O-OG 3.13Å | ||
| 99 | N | 88.4 | Confident | 93.8 | Very high | 97 Ų | 97 | 24.5 Ų | 24.5 | 52% | 0.519 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -84 | 1.2 | -178.1 | -68.7 | -34.4 | 0 | 0 | 0 | 113.4 | S447 Y448 | N99-S447 PolarHBondContact N-OG 3.45Å; N99-S447 WeakPolarHBondContact OD1-CB 3.48Å; N99-S447 PolarHBondContact OD1-OG 2.93Å; N99-Y448 HydrophobicContact CB-CE2 4.35Å; N99-Y448 WeakPolarHBondContact CB-OH 3.23Å; N99-Y448 PolarHBondContact O-OH 2.97Å |
| 100 | L | 86.1 | Confident | 93.7 | Very high | 68 Ų | 68 | 23.5 Ų | 23.5 | 36% | 0.356 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -87.6 | 164.1 | -178.1 | -60.7 | 179.8 | 0 | 0 | 0 | 111.2 | G98 A549 I552 | G98-L100 VanDerWaalsContact C-N 3.26Å; G98-L100 PolarHBondContact O-N 3.45Å; L100-A549 HydrophobicContact CD1-CB 3.87Å; L100-A549 VanDerWaalsContact CD1-N 3.28Å; L100-I552 HydrophobicContact CD1-CD1 3.81Å |
| 101 | R | 85 | Confident | 93.7 | Very high | 104 Ų | 104 | 23.6 Ų | 23.6 | 39% | 0.392 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -59.7 | -43.6 | 176.3 | -65.8 | -178.1 | -173.8 | 171.6 | -0.1 | 112.5 | G103 F487 T489 | R101-G103 PolarHBondContact O-N 3.25Å; R101-G103 VanDerWaalsContact O-N 3.16Å; R101-F487 HydrophobicContact CB-CD1 4.02Å; R101-F487 HydrophobicContact CB-CE1 3.82Å; R101-F487 HydrophobicContact CB-CZ 4.13Å; R101-F487 HydrophobicContact CG-CD1 4.35Å; R101-F487 HydrophobicContact CG-CD2 4.4Å; R101-F487 HydrophobicContact CG-CE1 4.44Å; R101-F487 HydrophobicContact CG-CE2 4.47Å; R101-F487 HydrophobicContact CG-CG 4.35Å; R101-T489 HydrophobicContact CG-CG2 4.31Å |
| 102 | P | 82.1 | Confident | 93.7 | Very high | 48 Ų | 48 | 23.5 Ų | 23.5 | 31% | 0.312 | 12% | 0.122 | S | C | . | . | trans | -70 | 110.9 | 171 | -16.5 | 32.8 | 0 | 0 | 0 | 110.1 | V104 I552 | P102-V104 VanDerWaalsContact C-N 3.34Å; P102-I552 HydrophobicContact CB-CD1 4.14Å; P102-I552 HydrophobicContact CG-CD1 4.01Å | ||
| 103 | G | 89.5 | Confident | 93.7 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 4% | 0.041 | 11% | 0.114 | C | C | . | . | trans | -91.5 | 6.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P80 R101 N446 L547 | P80-G103 WeakPolarHBondContact CD-O 3.43Å; R101-G103 PolarHBondContact O-N 3.25Å; R101-G103 VanDerWaalsContact O-N 3.16Å; G103-N446 WeakPolarHBondContact CA-OD1 3.35Å; G103-L547 WeakPolarHBondContact O-CD1 3.4Å | ||
| 104 | V | 95.6 | Very high | 93.7 | Very high | 29 Ų | 29 | 21.2 Ų | 21.2 | 18% | 0.176 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -142.2 | 160.5 | -177 | -61 | 0 | 0 | 0 | 0 | 110.7 | L77 T79 P102 I106 | L77-V104 HydrophobicContact CB-CG1 3.93Å; L77-V104 HydrophobicContact CD1-CG1 4.42Å; T79-V104 WeakPolarHBondContact OG1-CB 3.44Å; P102-V104 VanDerWaalsContact C-N 3.34Å; V104-I106 HydrophobicContact CG2-CG2 4.16Å |
| 105 | F | 96.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.009 | 12% | 0.118 | C | C | . | . | trans | -73.1 | 137.9 | 171.4 | -62.4 | -62.9 | 0 | 0 | 0 | 110.5 | T79 G112 H139 L167 Q546 L547 I552 | T79-F105 HydrophobicContact CG2-CD2 3.49Å; T79-F105 VanDerWaalsContact CG2-CD2 3.49Å; T79-F105 HydrophobicContact CG2-CE2 3.48Å; T79-F105 VanDerWaalsContact CG2-CE2 3.48Å; T79-F105 HydrophobicContact CG2-CG 4.49Å; T79-F105 HydrophobicContact CG2-CZ 4.47Å; T79-F105 PolarHBondContact OG1-N 2.7Å; F105-G112 VanDerWaalsContact CE1-C 3.46Å; F105-G112 WeakPolarHBondContact CE1-O 3.3Å; F105-G112 WeakPolarHBondContact CZ-O 3.4Å; F105-H139 PolarHBondContact O-NE2 3.3Å; F105-L167 HydrophobicContact CB-CD1 3.8Å; F105-L167 WeakPolarHBondContact O-CD1 3.42Å; F105-Q546 VanDerWaalsContact CE1-O 3.23Å; F105-Q546 WeakPolarHBondContact CE1-O 3.46Å; F105-Q546 HydrophobicContact CZ-CB 4.41Å; F105-L547 HydrophobicContact CD1-CD2 3.9Å; F105-L547 HydrophobicContact CE1-CD2 3.61Å; F105-L547 HydrophobicContact CE2-CD2 4.34Å; F105-L547 HydrophobicContact CG-CD2 4.36Å; F105-L547 HydrophobicContact CZ-CD2 3.84Å; F105-L547 HydrophobicContact CZ-CG 4.46Å; F105-I552 HydrophobicContact CD1-CG2 4.32Å; F105-I552 HydrophobicContact CE1-CG2 4.33Å | ||
| 106 | I | 94.2 | Very high | 93.7 | Very high | 45 Ų | 45 | 24.8 Ų | 24.8 | 23% | 0.231 | 14% | 0.136 | C | C | . | . | trans | -126.1 | 5.3 | 179.5 | 63.5 | 177.8 | 0 | 0 | 0 | 113 | V104 F181 N240 | V104-I106 HydrophobicContact CG2-CG2 4.16Å; I106-F181 HydrophobicContact CB-CZ 4.45Å; I106-F181 HydrophobicContact CD1-CE1 3.75Å; I106-F181 HydrophobicContact CD1-CZ 4.39Å; I106-F181 HydrophobicContact CG1-CE1 4.29Å; I106-N240 PolarHBondContact O-ND2 3.3Å | ||
| 107 | F | 96.4 | Very high | 93.6 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 10% | 0.101 | 16% | 0.162 | C | C | . | . | trans | -136.9 | 137.4 | 176.2 | -65.7 | -71 | 0 | 0 | 0 | 110.4 | A109 A110 F181 F232 I236 N240 I552 W554 | F107-A109 VanDerWaalsContact C-N 3.29Å; F107-A110 HydrophobicContact CB-CB 4.27Å; F107-A110 WeakPolarHBondContact O-CB 3.47Å; F107-A110 PolarHBondContact O-N 2.82Å; F107-F181 HydrophobicContact CD1-CZ 4.43Å; F107-F181 AromaticContact CE1-CE1 3.86Å; F107-F181 HydrophobicContact CE1-CE1 3.86Å; F107-F181 AromaticContact CE1-CZ 3.68Å; F107-F181 HydrophobicContact CE1-CZ 3.68Å; F107-F181 HydrophobicContact CE2-CE1 4.03Å; F107-F181 HydrophobicContact CE2-CZ 4.46Å; F107-F181 HydrophobicContact CZ-CD1 4.4Å; F107-F181 AromaticContact CZ-CE1 3.37Å; F107-F181 HydrophobicContact CZ-CE1 3.37Å; F107-F181 AromaticContact CZ-CZ 3.7Å; F107-F181 HydrophobicContact CZ-CZ 3.7Å; F107-F232 AromaticContact CE1-CZ 3.86Å; F107-F232 HydrophobicContact CE1-CZ 3.86Å; F107-F232 AromaticContact CZ-CZ 3.93Å; F107-F232 HydrophobicContact CZ-CZ 3.93Å; F107-I236 HydrophobicContact CE1-CD1 3.88Å; F107-N240 WeakPolarHBondContact CA-OD1 3.46Å; F107-I552 WeakPolarHBondContact CD2-O 3.42Å; F107-W554 HydrophobicContact CD1-CB 3.93Å; F107-W554 AromaticContact CD1-CD1 3.88Å; F107-W554 HydrophobicContact CD1-CG 4.19Å; F107-W554 HydrophobicContact CD2-CB 4Å; F107-W554 HydrophobicContact CE1-CB 4.09Å; F107-W554 HydrophobicContact CE1-CG 4.47Å; F107-W554 HydrophobicContact CE2-CB 4.16Å; F107-W554 HydrophobicContact CG-CB 3.89Å; F107-W554 HydrophobicContact CG-CG 4.47Å; F107-W554 HydrophobicContact CZ-CB 4.2Å | ||
| 108 | N | 96.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -36.9 | 168 | -77.6 | -36 | 0 | 0 | 0 | 111.7 | A110 P166 L167 L239 N240 I242 P560 | N108-A110 PolarHBondContact O-N 2.82Å; N108-P166 WeakPolarHBondContact OD1-CG 3.18Å; N108-L167 VanDerWaalsContact OD1-CB 3.26Å; N108-L167 WeakPolarHBondContact OD1-CB 3.45Å; N108-L239 PolarHBondContact ND2-O 2.51Å; N108-N240 PolarHBondContact N-OD1 2.65Å; N108-N240 VanDerWaalsContact N-OD1 3.11Å; N108-N240 VanDerWaalsContact ND2-C 3.32Å; N108-N240 VanDerWaalsContact ND2-CA 3.3Å; N108-N240 WeakPolarHBondContact ND2-CA 3.21Å; N108-N240 PolarHBondContact ND2-O 2.75Å; N108-I242 WeakPolarHBondContact ND2-CD1 3.47Å; N108-P560 HydrophobicContact CB-CG 4.02Å |
| 109 | A | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 32.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F107 K555 L558 Q559 | F107-A109 VanDerWaalsContact C-N 3.29Å; A109-K555 WeakPolarHBondContact CB-O 3.34Å; A109-K555 WeakPolarHBondContact O-CB 3.38Å; A109-K555 PolarHBondContact O-N 2.82Å; A109-L558 HydrophobicContact CB-CB 4.11Å; A109-Q559 HydrophobicContact CB-CB 3.92Å |
| 110 | A | 97.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | trans | -89.1 | 153.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | F107 N108 H551 | F107-A110 HydrophobicContact CB-CB 4.27Å; F107-A110 WeakPolarHBondContact O-CB 3.47Å; F107-A110 PolarHBondContact O-N 2.82Å; N108-A110 PolarHBondContact O-N 2.82Å; A110-H551 WeakPolarHBondContact CB-O 3.27Å | ||
| 111 | S | 97.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 25.2 Ų | 25.2 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -100.5 | 0.3 | 179.1 | 77.2 | 0 | 0 | 0 | 0 | 114 | N143 C144 H152 H551 K555 | S111-N143 WeakPolarHBondContact CA-O 3.44Å; S111-C144 WeakPolarHBondContact CB-O 3.43Å; S111-H152 PolarHBondContact O-NE2 3.2Å; S111-H551 PolarHBondContact N-O 2.94Å; S111-H551 PolarHBondContact OG-CD2 2.75Å; S111-K555 PolarHBondContact OG-NZ 3.3Å |
| 112 | G | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -86.8 | 149 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F105 G141 H551 | F105-G112 VanDerWaalsContact CE1-C 3.46Å; F105-G112 WeakPolarHBondContact CE1-O 3.3Å; F105-G112 WeakPolarHBondContact CZ-O 3.4Å; G112-G141 WeakPolarHBondContact O-CA 3.26Å; G112-H551 PolarHBondContact N-O 3.48Å; G112-H551 VanDerWaalsContact N-O 3.1Å | ||
| 113 | G | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -173.6 | -171.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L115 L140 H152 Q546 | G113-L115 PolarHBondContact O-N 2.97Å; G113-L140 CarbonylContact C-O 3.49Å; G113-L140 WeakPolarHBondContact CA-O 3.41Å; G113-H152 PolarHBondContact N-NE2 3.22Å; G113-Q546 WeakPolarHBondContact O-CB 3.45Å; G113-Q546 VanDerWaalsContact O-CG 3.26Å; G113-Q546 WeakPolarHBondContact O-CG 3.43Å | ||
| 114 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -69.9 | 120.9 | 169.5 | -176.5 | 65.8 | 0 | 0 | 0 | 108.6 | A83 T87 V96 A116 E118 T120 W138 L140 H152 H157 | A83-L114 HydrophobicContact CB-CD1 4.38Å; T87-L114 HydrophobicContact CG2-CD1 4.15Å; T87-L114 HydrophobicContact CG2-CD2 4.29Å; V96-L114 HydrophobicContact CG2-CD1 4.1Å; L114-A116 PolarHBondContact O-N 2.98Å; L114-E118 HydrophobicContact CD1-CB 3.85Å; L114-E118 HydrophobicContact CD1-CG 3.83Å; L114-E118 HydrophobicContact CG-CB 4.16Å; L114-T120 HydrophobicContact CD2-CG2 3.95Å; L114-W138 HydrophobicContact CD2-CH2 4.43Å; L114-L140 HydrophobicContact CB-CB 4Å; L114-L140 HydrophobicContact CB-CD1 4.4Å; L114-L140 HydrophobicContact CD2-CD1 4.19Å; L114-L140 PolarHBondContact N-O 3.33Å; L114-H152 PolarHBondContact O-ND1 3.38Å; L114-H157 PolarHBondContact O-CE1 2.84Å; L114-H157 VanDerWaalsContact O-CE1 3.24Å; L114-H157 PolarHBondContact O-NE2 2.76Å; L114-H157 VanDerWaalsContact O-NE2 3.08Å | ||
| 115 | L | 97.1 | Very high | 97.4 | Very high | 27 Ų | 27 | 19.9 Ų | 19.9 | 14% | 0.141 | 10% | 0.1 | C | C | . | . | trans | -64.9 | 137.5 | -176.8 | -65.7 | 171.8 | 0 | 0 | 0 | 111.1 | G113 R117 E118 Q546 | G113-L115 PolarHBondContact O-N 2.97Å; L115-R117 HydrophobicContact CB-CG 4.03Å; L115-R117 VanDerWaalsContact CD1-NH2 3.31Å; L115-R117 PolarHBondContact O-N 3.26Å; L115-E118 WeakPolarHBondContact O-CB 3.28Å; L115-E118 PolarHBondContact O-N 3.49Å; L115-Q546 HydrophobicContact CD1-CG 4.46Å; L115-Q546 HydrophobicContact CD2-CG 4.3Å; L115-Q546 HydrophobicContact CG-CG 4.1Å | ||
| 116 | A | 95.1 | Very high | 97.5 | Very high | 51 Ų | 51 | 23.7 Ų | 23.7 | 42% | 0.421 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | L114 K123 | L114-A116 PolarHBondContact O-N 2.98Å; A116-K123 PolarHBondContact O-NZ 3.31Å |
| 117 | R | 95.6 | Very high | 97.6 | Very high | 144 Ų | 144 | 28.7 Ų | 28.7 | 54% | 0.543 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -18.7 | 173.5 | 72.3 | -179.9 | -179.9 | -156.7 | -4.2 | 113.9 | L115 R418 | L115-R117 HydrophobicContact CB-CG 4.03Å; L115-R117 VanDerWaalsContact CD1-NH2 3.31Å; L115-R117 PolarHBondContact O-N 3.26Å; R117-R418 PolarHBondContact O-NH1 3.29Å; R117-R418 PolarHBondContact O-NH2 3.42Å |
| 118 | E | 98 | Very high | 97.7 | Very high | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -68.6 | 140.6 | 170.8 | -67.1 | -57.8 | 133.2 | 0 | 0 | 109.1 | T87 R89 L114 L115 R418 | T87-E118 HydrophobicContact CG2-CB 4.1Å; R89-E118 IonicContact CZ-OE2 3.18Å; R89-E118 IonicContact NE-OE2 2.74Å; R89-E118 PolarHBondContact NE-OE2 2.83Å; L114-E118 HydrophobicContact CD1-CB 3.85Å; L114-E118 HydrophobicContact CD1-CG 3.83Å; L114-E118 HydrophobicContact CG-CB 4.16Å; L115-E118 WeakPolarHBondContact O-CB 3.28Å; L115-E118 PolarHBondContact O-N 3.49Å; E118-R418 IonicContact OE2-NH1 3.3Å |
| 119 | V | 98.2 | Very high | 97.7 | Very high | 30 Ų | 30 | 32.6 Ų | 32.6 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | trans | -105.1 | 119.2 | -177.8 | 177.6 | 0 | 0 | 0 | 0 | 106.9 | I124 F403 P415 | V119-I124 HydrophobicContact CG1-CD1 3.62Å; V119-I124 HydrophobicContact CG1-CG1 3.5Å; V119-F403 WeakPolarHBondContact O-CE2 3.37Å; V119-P415 HydrophobicContact CG1-CG 4.31Å | ||
| 120 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -93.1 | 158 | 175.2 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | L86 L114 A122 K123 I124 H157 | L86-T120 HydrophobicContact CB-CG2 3.94Å; L86-T120 CarbonylContact O-C 3.47Å; L86-T120 WeakPolarHBondContact O-CA 3.49Å; L114-T120 HydrophobicContact CD2-CG2 3.95Å; T120-A122 PolarHBondContact O-N 2.95Å; T120-K123 PolarHBondContact O-N 2.84Å; T120-K123 WeakPolarHBondContact OG1-CB 3.35Å; T120-K123 PolarHBondContact OG1-N 3.27Å; T120-K123 VanDerWaalsContact OG1-N 3.09Å; T120-I124 PolarHBondContact O-N 2.88Å; T120-H157 HydrophobicContact CG2-CB 3.99Å; T120-H157 PolarHBondContact OG1-O 3.43Å | ||
| 121 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.2 | -34.2 | 172 | 58.1 | -112.4 | 0 | 0 | 0 | 111.1 | L34 F85 L86 K123 I124 V125 L280 F403 I406 | L34-F121 HydrophobicContact CD1-CD2 4.35Å; L34-F121 HydrophobicContact CD1-CE1 4.22Å; L34-F121 HydrophobicContact CD1-CE2 3.5Å; L34-F121 VanDerWaalsContact CD1-CE2 3.5Å; L34-F121 HydrophobicContact CD1-CZ 3.41Å; L34-F121 VanDerWaalsContact CD1-CZ 3.41Å; F85-F121 AromaticContact CD1-CE1 3.98Å; F85-F121 HydrophobicContact CD1-CE1 3.98Å; F85-F121 HydrophobicContact CD1-CZ 4.23Å; F85-F121 AromaticContact CE1-CE1 3.69Å; F85-F121 HydrophobicContact CE1-CE1 3.69Å; F85-F121 AromaticContact CE1-CZ 3.6Å; F85-F121 HydrophobicContact CE1-CZ 3.6Å; F85-F121 HydrophobicContact CE2-CE1 4.47Å; F85-F121 AromaticContact CZ-CE1 3.96Å; F85-F121 HydrophobicContact CZ-CE1 3.96Å; F85-F121 HydrophobicContact CZ-CZ 4.01Å; F85-F121 WeakPolarHBondContact O-CE1 3.34Å; L86-F121 HydrophobicContact CD2-CE1 3.75Å; L86-F121 HydrophobicContact CD2-CE2 4.22Å; L86-F121 HydrophobicContact CD2-CZ 3.51Å; L86-F121 WeakPolarHBondContact O-CD1 3.47Å; L86-F121 PolarHBondContact O-N 2.97Å; F121-K123 PolarHBondContact O-N 3.38Å; F121-I124 PolarHBondContact O-N 2.87Å; F121-V125 WeakPolarHBondContact O-CG1 3.41Å; F121-V125 PolarHBondContact O-N 3.19Å; F121-L280 HydrophobicContact CD2-CD1 3.59Å; F121-L280 HydrophobicContact CE2-CD1 3.75Å; F121-L280 HydrophobicContact CE2-CD2 4.05Å; F121-F403 HydrophobicContact CB-CD2 3.8Å; F121-F403 HydrophobicContact CB-CE2 4.31Å; F121-F403 HydrophobicContact CD1-CD2 4.33Å; F121-I406 HydrophobicContact CB-CB 4.34Å; F121-I406 HydrophobicContact CB-CD1 4.41Å; F121-I406 HydrophobicContact CB-CG2 4.1Å; F121-I406 HydrophobicContact CD1-CD1 4.17Å; F121-I406 HydrophobicContact CD2-CD1 3.94Å; F121-I406 HydrophobicContact CE1-CD1 4.42Å; F121-I406 HydrophobicContact CE2-CD1 4.28Å; F121-I406 HydrophobicContact CG-CD1 3.93Å; F121-I406 HydrophobicContact CZ-CD1 4.49Å |
| 122 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | T120 I124 V125 K126 F159 | T120-A122 PolarHBondContact O-N 2.95Å; A122-I124 VanDerWaalsContact C-N 3.3Å; A122-I124 PolarHBondContact O-N 3.11Å; A122-V125 PolarHBondContact O-N 2.99Å; A122-K126 WeakPolarHBondContact O-CB 3.38Å; A122-K126 PolarHBondContact O-N 2.74Å; A122-F159 HydrophobicContact CB-CD1 4.07Å; A122-F159 HydrophobicContact CB-CD2 4.23Å; A122-F159 HydrophobicContact CB-CE1 3.7Å; A122-F159 HydrophobicContact CB-CE2 3.85Å; A122-F159 HydrophobicContact CB-CG 4.34Å; A122-F159 HydrophobicContact CB-CZ 3.57Å |
| 123 | K | 98.5 | Very high | 98 | Very high | 62 Ų | 62 | 34.4 Ų | 34.4 | 27% | 0.27 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.6 | -37.4 | 176.5 | -166.5 | 164.9 | -172.7 | 160.8 | 0 | 112 | A116 T120 F121 Q127 V156 | A116-K123 PolarHBondContact O-NZ 3.31Å; T120-K123 PolarHBondContact O-N 2.84Å; T120-K123 WeakPolarHBondContact OG1-CB 3.35Å; T120-K123 PolarHBondContact OG1-N 3.27Å; T120-K123 VanDerWaalsContact OG1-N 3.09Å; F121-K123 PolarHBondContact O-N 3.38Å; K123-Q127 WeakPolarHBondContact O-CG 3.42Å; K123-V156 PolarHBondContact NZ-O 3.47Å |
| 124 | I | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.2 | -52.3 | 177.5 | -65.4 | 172.6 | 0 | 0 | 0 | 111 | V119 T120 F121 A122 K126 Q127 Q128 F403 V407 A412 P415 | V119-I124 HydrophobicContact CG1-CD1 3.62Å; V119-I124 HydrophobicContact CG1-CG1 3.5Å; T120-I124 PolarHBondContact O-N 2.88Å; F121-I124 PolarHBondContact O-N 2.87Å; A122-I124 VanDerWaalsContact C-N 3.3Å; A122-I124 PolarHBondContact O-N 3.11Å; I124-K126 VanDerWaalsContact C-N 3.28Å; I124-K126 PolarHBondContact O-N 2.87Å; I124-Q127 WeakPolarHBondContact O-CB 3.41Å; I124-Q127 PolarHBondContact O-N 2.76Å; I124-Q127 VanDerWaalsContact O-N 3.07Å; I124-Q128 PolarHBondContact O-N 3.39Å; I124-F403 HydrophobicContact CD1-CE1 4.4Å; I124-F403 HydrophobicContact CD1-CE2 4Å; I124-F403 HydrophobicContact CD1-CZ 3.56Å; I124-V407 HydrophobicContact CB-CG2 4.36Å; I124-V407 HydrophobicContact CD1-CG2 3.54Å; I124-V407 HydrophobicContact CG2-CG1 4.24Å; I124-V407 HydrophobicContact CG2-CG2 4.1Å; I124-A412 HydrophobicContact CG2-CB 3.31Å; I124-P415 HydrophobicContact CD1-CG 4.02Å |
| 125 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.1 | -30.4 | -176.6 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | F32 F121 A122 Q127 Q128 G129 Y130 T132 L280 I406 | F32-V125 HydrophobicContact CE2-CG1 4.28Å; F121-V125 WeakPolarHBondContact O-CG1 3.41Å; F121-V125 PolarHBondContact O-N 3.19Å; A122-V125 PolarHBondContact O-N 2.99Å; V125-Q127 VanDerWaalsContact C-N 3.25Å; V125-Q127 PolarHBondContact O-N 3.47Å; V125-Q128 CarbonylContact O-C 3.47Å; V125-Q128 VanDerWaalsContact O-CA 3.26Å; V125-Q128 WeakPolarHBondContact O-CA 3.12Å; V125-Q128 VanDerWaalsContact O-CB 3.28Å; V125-Q128 WeakPolarHBondContact O-CB 3.35Å; V125-Q128 PolarHBondContact O-N 3Å; V125-G129 PolarHBondContact O-N 3.33Å; V125-Y130 HydrophobicContact CB-CD1 4.39Å; V125-Y130 HydrophobicContact CB-CD2 3.84Å; V125-Y130 HydrophobicContact CB-CE2 4.38Å; V125-Y130 HydrophobicContact CB-CG 3.85Å; V125-Y130 HydrophobicContact CG2-CG 4.15Å; V125-Y130 WeakPolarHBondContact O-CB 3.32Å; V125-Y130 VanDerWaalsContact O-CD2 3.28Å; V125-Y130 WeakPolarHBondContact O-CD2 3.37Å; V125-Y130 PolarHBondContact O-N 2.93Å; V125-T132 HydrophobicContact CG2-CG2 3.86Å; V125-L280 HydrophobicContact CG2-CB 4.11Å; V125-L280 HydrophobicContact CG2-CD1 3.75Å; V125-I406 HydrophobicContact CG1-CG2 3.4Å; V125-I406 VanDerWaalsContact CG1-CG2 3.4Å |
| 126 | K | 98.3 | Very high | 98.1 | Very high | 82 Ų | 82 | 33.1 Ų | 33.1 | 36% | 0.357 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -57.8 | -39.4 | 171.5 | 178.8 | 168.5 | 170.3 | 165.6 | 0 | 111.7 | A122 I124 Q128 G129 T132 G158 D160 | A122-K126 WeakPolarHBondContact O-CB 3.38Å; A122-K126 PolarHBondContact O-N 2.74Å; I124-K126 VanDerWaalsContact C-N 3.28Å; I124-K126 PolarHBondContact O-N 2.87Å; K126-Q128 PolarHBondContact O-N 2.98Å; K126-G129 PolarHBondContact O-N 2.84Å; K126-T132 HydrophobicContact CB-CG2 4.11Å; K126-G158 WeakPolarHBondContact CD-O 3.3Å; K126-D160 WeakPolarHBondContact CD-OD1 3.42Å; K126-D160 WeakPolarHBondContact CE-OD1 3.47Å; K126-D160 IonicContact NZ-OD1 2.77Å; K126-D160 PolarHBondContact NZ-OD1 2.98Å |
| 127 | Q | 97.4 | Very high | 98.3 | Very high | 150 Ų | 150 | 30.7 Ų | 30.7 | 70% | 0.701 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -66.9 | -22.5 | 172.9 | -65.1 | 172.2 | -1.2 | 0 | 0 | 112.7 | K123 I124 V125 G129 | K123-Q127 WeakPolarHBondContact O-CG 3.42Å; I124-Q127 WeakPolarHBondContact O-CB 3.41Å; I124-Q127 PolarHBondContact O-N 2.76Å; I124-Q127 VanDerWaalsContact O-N 3.07Å; V125-Q127 VanDerWaalsContact C-N 3.25Å; V125-Q127 PolarHBondContact O-N 3.47Å; Q127-G129 PolarHBondContact O-N 3.17Å |
| 128 | Q | 97.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 23.9 Ų | 23.9 | 29% | 0.285 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 8.3 | 172.5 | -60.9 | -55.1 | -39.2 | 0 | 0 | 113.5 | K29 I124 V125 K126 Y130 A412 | K29-Q128 PolarHBondContact NZ-O 2.72Å; I124-Q128 PolarHBondContact O-N 3.39Å; V125-Q128 CarbonylContact O-C 3.47Å; V125-Q128 VanDerWaalsContact O-CA 3.26Å; V125-Q128 WeakPolarHBondContact O-CA 3.12Å; V125-Q128 VanDerWaalsContact O-CB 3.28Å; V125-Q128 WeakPolarHBondContact O-CB 3.35Å; V125-Q128 PolarHBondContact O-N 3Å; K126-Q128 PolarHBondContact O-N 2.98Å; Q128-Y130 HydrophobicContact CB-CD2 3.99Å; Q128-Y130 HydrophobicContact CB-CE2 4.2Å; Q128-A412 HydrophobicContact CG-CB 3.83Å |
| 129 | G | 97.1 | Very high | 98.5 | Very high | 50 Ų | 50 | 23.7 Ų | 23.7 | 52% | 0.515 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 17.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V125 K126 Q127 | V125-G129 PolarHBondContact O-N 3.33Å; K126-G129 PolarHBondContact O-N 2.84Å; Q127-G129 PolarHBondContact O-N 3.17Å |
| 130 | Y | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | trans | -76.5 | 140 | 171.7 | -77.1 | -112 | 0 | 0 | 0 | 110.9 | K29 P30 F32 V125 Q128 P278 L280 | K29-Y130 HydrophobicContact CB-CE2 4.26Å; K29-Y130 WeakPolarHBondContact CB-OH 3.46Å; K29-Y130 HydrophobicContact CD-CE2 3.95Å; K29-Y130 HydrophobicContact CG-CE2 4.42Å; P30-Y130 WeakPolarHBondContact O-CE1 3.35Å; P30-Y130 VanDerWaalsContact O-CZ 3.3Å; P30-Y130 PolarHBondContact O-OH 3.11Å; F32-Y130 HydrophobicContact CD2-CD1 4.06Å; F32-Y130 AromaticContact CD2-CE1 3.46Å; F32-Y130 HydrophobicContact CD2-CE1 3.46Å; F32-Y130 VanDerWaalsContact CD2-CE1 3.46Å; F32-Y130 HydrophobicContact CE2-CD1 4.18Å; F32-Y130 AromaticContact CE2-CE1 3.3Å; F32-Y130 HydrophobicContact CE2-CE1 3.3Å; F32-Y130 HydrophobicContact CE2-CE2 4.42Å; F32-Y130 AromaticContact CE2-CZ 3.46Å; F32-Y130 VanDerWaalsContact CE2-CZ 3.46Å; F32-Y130 WeakPolarHBondContact CE2-OH 3.45Å; F32-Y130 HydrophobicContact CZ-CE1 4.39Å; V125-Y130 HydrophobicContact CB-CD1 4.39Å; V125-Y130 HydrophobicContact CB-CD2 3.84Å; V125-Y130 HydrophobicContact CB-CE2 4.38Å; V125-Y130 HydrophobicContact CB-CG 3.85Å; V125-Y130 HydrophobicContact CG2-CG 4.15Å; V125-Y130 WeakPolarHBondContact O-CB 3.32Å; V125-Y130 VanDerWaalsContact O-CD2 3.28Å; V125-Y130 WeakPolarHBondContact O-CD2 3.37Å; V125-Y130 PolarHBondContact O-N 2.93Å; Q128-Y130 HydrophobicContact CB-CD2 3.99Å; Q128-Y130 HydrophobicContact CB-CE2 4.2Å; Y130-P278 WeakPolarHBondContact CA-O 3.28Å; Y130-P278 HydrophobicContact CD1-CB 3.87Å; Y130-P278 HydrophobicContact CD2-CB 4.29Å; Y130-P278 HydrophobicContact CE1-CB 3.7Å; Y130-P278 HydrophobicContact CE2-CB 4.16Å; Y130-P278 HydrophobicContact CG-CB 4.15Å; Y130-L280 HydrophobicContact CD1-CB 4.48Å | ||
| 131 | N | 98.6 | Very high | 98.4 | Very high | 47 Ų | 47 | 22.8 Ų | 22.8 | 25% | 0.251 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130.1 | 161.6 | -72.3 | -14.8 | 0 | 0 | 0 | 108.7 | F270 N274 P278 F279 L280 | N131-F270 HydrophobicContact CB-CZ 4.45Å; N131-N274 WeakPolarHBondContact CB-OD1 3.34Å; N131-N274 PolarHBondContact ND2-OD1 3.32Å; N131-P278 PolarHBondContact N-O 2.67Å; N131-P278 VanDerWaalsContact N-O 3.13Å; N131-F279 CarbonylContact O-C 3.54Å; N131-F279 VanDerWaalsContact O-CA 3.23Å; N131-F279 WeakPolarHBondContact O-CA 3.34Å; N131-L280 PolarHBondContact O-N 2.95Å |
| 132 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 133.3 | -171.6 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | V125 K126 G158 F159 D160 Y161 L280 | V125-T132 HydrophobicContact CG2-CG2 3.86Å; K126-T132 HydrophobicContact CB-CG2 4.11Å; T132-G158 WeakPolarHBondContact CB-O 3.45Å; T132-G158 PolarHBondContact OG1-O 2.98Å; T132-F159 VanDerWaalsContact OG1-CA 3.23Å; T132-F159 WeakPolarHBondContact OG1-CA 3.17Å; T132-D160 PolarHBondContact N-OD2 2.76Å; T132-D160 VanDerWaalsContact N-OD2 3.09Å; T132-D160 WeakPolarHBondContact O-CA 3.45Å; T132-D160 WeakPolarHBondContact O-CB 3.49Å; T132-D160 PolarHBondContact O-N 3.38Å; T132-D160 PolarHBondContact OG1-N 2.85Å; T132-D160 PolarHBondContact OG1-OD2 3.07Å; T132-Y161 PolarHBondContact O-N 2.87Å; T132-L280 CarbonylContact C-O 3.57Å; T132-L280 VanDerWaalsContact CA-O 3.32Å; T132-L280 WeakPolarHBondContact CA-O 3.48Å; T132-L280 HydrophobicContact CG2-CB 4.15Å |
| 133 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | F159 Y161 F270 L280 L281 F282 | A133-F159 VanDerWaalsContact C-CD1 3.44Å; A133-Y161 WeakPolarHBondContact CA-O 3.36Å; A133-Y161 HydrophobicContact CB-CD1 4.09Å; A133-F270 HydrophobicContact CB-CD1 3.91Å; A133-F270 HydrophobicContact CB-CD2 3.56Å; A133-F270 HydrophobicContact CB-CE1 3.78Å; A133-F270 HydrophobicContact CB-CE2 3.43Å; A133-F270 VanDerWaalsContact CB-CE2 3.43Å; A133-F270 HydrophobicContact CB-CG 3.79Å; A133-F270 HydrophobicContact CB-CZ 3.54Å; A133-L280 PolarHBondContact N-O 3.4Å; A133-L281 HydrophobicContact CB-CD1 4.08Å; A133-F282 PolarHBondContact O-N 3.09Å |
| 134 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126 | 162.8 | 171.7 | 63.7 | 0 | 0 | 0 | 108.5 | W138 P154 F159 Y161 F162 F163 F282 | L134-W138 HydrophobicContact CD2-CB 4.16Å; L134-W138 HydrophobicContact CD2-CD2 4.16Å; L134-W138 HydrophobicContact CD2-CE3 3.5Å; L134-W138 VanDerWaalsContact CD2-CE3 3.5Å; L134-W138 HydrophobicContact CD2-CG 4.47Å; L134-W138 HydrophobicContact CD2-CZ3 4.19Å; L134-P154 HydrophobicContact CD2-CB 3.79Å; L134-P154 HydrophobicContact CD2-CG 3.54Å; L134-F159 HydrophobicContact CB-CB 4.37Å; L134-F159 HydrophobicContact CB-CD1 3.78Å; L134-F159 HydrophobicContact CB-CD2 4.15Å; L134-F159 HydrophobicContact CB-CE1 4.03Å; L134-F159 HydrophobicContact CB-CE2 4.39Å; L134-F159 HydrophobicContact CB-CG 3.83Å; L134-F159 HydrophobicContact CB-CZ 4.34Å; L134-Y161 PolarHBondContact N-O 3.48Å; L134-F162 HydrophobicContact CB-CD2 4.01Å; L134-F162 HydrophobicContact CD2-CD2 3.74Å; L134-F162 HydrophobicContact CD2-CE2 3.73Å; L134-F162 HydrophobicContact CG-CD2 3.77Å; L134-F162 HydrophobicContact CG-CE2 3.95Å; L134-F162 WeakPolarHBondContact O-CA 3.36Å; L134-F162 WeakPolarHBondContact O-CD2 3.43Å; L134-F163 PolarHBondContact O-N 3.33Å; L134-F282 WeakPolarHBondContact CA-O 3.16Å; L134-F282 HydrophobicContact CD1-CB 4.11Å; L134-F282 HydrophobicContact CD1-CD1 3.38Å; L134-F282 HydrophobicContact CD1-CE1 3.88Å; L134-F282 HydrophobicContact CD1-CG 3.84Å |
| 135 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 118.9 | 176 | -59.7 | -180 | 0 | 0 | 0 | 108.8 | F163 M263 E266 A267 L281 F282 L283 S284 | I135-F163 CarbonylContact C-O 3.6Å; I135-F163 VanDerWaalsContact CA-O 3.26Å; I135-F163 WeakPolarHBondContact CA-O 3.43Å; I135-F163 HydrophobicContact CG2-CD1 4.26Å; I135-M263 HydrophobicContact CG2-CB 3.87Å; I135-M263 HydrophobicContact CG2-CE 4.43Å; I135-M263 HydrophobicContact CG2-CG 4.11Å; I135-E266 VanDerWaalsContact CD1-C 3.42Å; I135-E266 HydrophobicContact CD1-CB 3.88Å; I135-E266 HydrophobicContact CG2-CB 4.31Å; I135-A267 HydrophobicContact CD1-CB 3.82Å; I135-A267 VanDerWaalsContact CD1-N 3.3Å; I135-L281 HydrophobicContact CB-CD1 4.45Å; I135-L281 HydrophobicContact CD1-CD1 3.68Å; I135-L281 HydrophobicContact CG1-CD1 3.96Å; I135-F282 PolarHBondContact N-O 3.47Å; I135-L283 HydrophobicContact CB-CD1 3.84Å; I135-L283 HydrophobicContact CG2-CD1 3.71Å; I135-S284 PolarHBondContact O-N 2.87Å |
| 136 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.8 | -133.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F163 G164 I165 S284 | G136-F163 PolarHBondContact N-O 3.27Å; G136-G164 CarbonylContact O-C 3.43Å; G136-G164 VanDerWaalsContact O-CA 3.28Å; G136-G164 WeakPolarHBondContact O-CA 3.36Å; G136-I165 PolarHBondContact O-N 3.26Å; G136-S284 CarbonylContact C-O 3.25Å; G136-S284 VanDerWaalsContact CA-O 3.24Å; G136-S284 WeakPolarHBondContact CA-O 3.26Å |
| 137 | K | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 129.6 | -169.8 | 176 | 176.2 | 170.6 | -179.3 | 0 | 112.8 | D38 C78 R82 H139 I165 T168 S284 L286 | D38-K137 IonicContact OD1-NZ 3.16Å; D38-K137 PolarHBondContact OD1-NZ 2.9Å; D38-K137 WeakPolarHBondContact OD2-CD 3.18Å; D38-K137 WeakPolarHBondContact OD2-CE 3.25Å; D38-K137 IonicContact OD2-NZ 3.55Å; D38-K137 PolarHBondContact OD2-NZ 3.46Å; C78-K137 PolarHBondContact SG-NZ 3.06Å; R82-K137 PolarHBondContact NH1-O 3.45Å; K137-H139 HydrophobicContact CD-CB 4.45Å; K137-H139 WeakPolarHBondContact CE-ND1 3.38Å; K137-H139 HydrophobicContact CG-CB 4.06Å; K137-I165 HydrophobicContact CB-CG1 4.32Å; K137-T168 WeakPolarHBondContact CE-OG1 3.49Å; K137-T168 PolarHBondContact NZ-OG1 2.98Å; K137-S284 PolarHBondContact N-O 2.98Å; K137-S284 WeakPolarHBondContact O-CB 3.23Å; K137-S284 PolarHBondContact O-OG 3.29Å; K137-L286 HydrophobicContact CB-CD1 4.14Å |
| 138 | W | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | trans | -94.7 | -66.5 | 171.8 | 177.8 | -130.8 | 0 | 0 | 0 | 112.5 | L86 L114 L134 L140 G141 H152 P154 H157 F159 F162 I165 | L86-W138 HydrophobicContact CD1-CE3 4.26Å; L86-W138 HydrophobicContact CD1-CH2 3.48Å; L86-W138 VanDerWaalsContact CD1-CH2 3.48Å; L86-W138 HydrophobicContact CD1-CZ3 3.23Å; L114-W138 HydrophobicContact CD2-CH2 4.43Å; L134-W138 HydrophobicContact CD2-CB 4.16Å; L134-W138 HydrophobicContact CD2-CD2 4.16Å; L134-W138 HydrophobicContact CD2-CE3 3.5Å; L134-W138 VanDerWaalsContact CD2-CE3 3.5Å; L134-W138 HydrophobicContact CD2-CG 4.47Å; L134-W138 HydrophobicContact CD2-CZ3 4.19Å; W138-L140 HydrophobicContact CD2-CB 4.05Å; W138-L140 HydrophobicContact CD2-CD1 4.3Å; W138-L140 HydrophobicContact CD2-CG 4.46Å; W138-L140 HydrophobicContact CE3-CD1 4.11Å; W138-L140 HydrophobicContact CG-CB 4.47Å; W138-L140 HydrophobicContact CH2-CB 4.4Å; W138-L140 HydrophobicContact CH2-CD1 3.66Å; W138-L140 HydrophobicContact CZ2-CB 3.7Å; W138-L140 HydrophobicContact CZ2-CD1 3.84Å; W138-L140 HydrophobicContact CZ2-CG 4.37Å; W138-L140 HydrophobicContact CZ3-CD1 3.83Å; W138-G141 VanDerWaalsContact CD1-O 3.24Å; W138-G141 PolarHBondContact NE1-O 3.13Å; W138-H152 PolarHBondContact NE1-O 3Å; W138-P154 HydrophobicContact CB-CG 4.22Å; W138-P154 HydrophobicContact CD2-CG 3.71Å; W138-P154 HydrophobicContact CE3-CG 4.08Å; W138-P154 HydrophobicContact CG-CG 3.77Å; W138-H157 HydrophobicContact CH2-CB 3.92Å; W138-H157 HydrophobicContact CZ2-CB 4.28Å; W138-H157 AromaticContact CZ2-CD2 3.5Å; W138-F159 HydrophobicContact CZ3-CE2 4.06Å; W138-F162 HydrophobicContact CB-CZ 4.44Å; W138-I165 PolarHBondContact N-O 3.27Å | ||
| 139 | H | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | trans | 65 | 29 | 176.5 | -150 | -175.5 | 0 | 0 | 0 | 116.8 | C78 T79 F105 K137 P166 L167 | C78-H139 VanDerWaalsContact CB-ND1 3.26Å; C78-H139 WeakPolarHBondContact CB-ND1 3.28Å; T79-H139 PolarHBondContact OG1-CD2 3.03Å; T79-H139 VanDerWaalsContact OG1-CD2 3.29Å; T79-H139 PolarHBondContact OG1-CE1 3.32Å; T79-H139 PolarHBondContact OG1-ND1 3.32Å; T79-H139 PolarHBondContact OG1-NE2 3.48Å; T79-H139 PolarHBondContact OG1-O 3.3Å; F105-H139 PolarHBondContact O-NE2 3.3Å; K137-H139 HydrophobicContact CD-CB 4.45Å; K137-H139 WeakPolarHBondContact CE-ND1 3.38Å; K137-H139 HydrophobicContact CG-CB 4.06Å; H139-P166 WeakPolarHBondContact CA-O 3.29Å; H139-P166 PolarHBondContact N-O 3.34Å; H139-L167 VanDerWaalsContact CA-O 3.24Å; H139-L167 WeakPolarHBondContact CA-O 3.19Å; H139-L167 WeakPolarHBondContact CB-O 3.32Å; H139-L167 PolarHBondContact N-O 2.68Å | ||
| 140 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -129.4 | 33.8 | -177.1 | -63.5 | 172.1 | 0 | 0 | 0 | 112.9 | T79 R82 A83 L86 V96 G113 L114 W138 | T79-L140 HydrophobicContact CG2-CD2 4.19Å; T79-L140 VanDerWaalsContact O-CD2 3.27Å; T79-L140 WeakPolarHBondContact O-CD2 3.28Å; R82-L140 HydrophobicContact CB-CD1 4.37Å; R82-L140 HydrophobicContact CB-CD2 4.43Å; R82-L140 HydrophobicContact CB-CG 4.48Å; A83-L140 HydrophobicContact CB-CD2 3.72Å; L86-L140 HydrophobicContact CD1-CD1 3.39Å; V96-L140 HydrophobicContact CG1-CD2 4.36Å; G113-L140 CarbonylContact C-O 3.49Å; G113-L140 WeakPolarHBondContact CA-O 3.41Å; L114-L140 HydrophobicContact CB-CB 4Å; L114-L140 HydrophobicContact CB-CD1 4.4Å; L114-L140 HydrophobicContact CD2-CD1 4.19Å; L114-L140 PolarHBondContact N-O 3.33Å; W138-L140 HydrophobicContact CD2-CB 4.05Å; W138-L140 HydrophobicContact CD2-CD1 4.3Å; W138-L140 HydrophobicContact CD2-CG 4.46Å; W138-L140 HydrophobicContact CE3-CD1 4.11Å; W138-L140 HydrophobicContact CG-CB 4.47Å; W138-L140 HydrophobicContact CH2-CB 4.4Å; W138-L140 HydrophobicContact CH2-CD1 3.66Å; W138-L140 HydrophobicContact CZ2-CB 3.7Å; W138-L140 HydrophobicContact CZ2-CD1 3.84Å; W138-L140 HydrophobicContact CZ2-CG 4.37Å; W138-L140 HydrophobicContact CZ3-CD1 3.83Å |
| 141 | G | 97.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 11% | 0.113 | 16% | 0.157 | C | C | . | . | trans | 86.7 | 172 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G112 W138 | G112-G141 WeakPolarHBondContact O-CA 3.26Å; W138-G141 VanDerWaalsContact CD1-O 3.24Å; W138-G141 PolarHBondContact NE1-O 3.13Å | ||
| 142 | L | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -132.9 | -64.1 | -180 | -177.7 | 62.5 | 0 | 0 | 0 | 111.7 | H150 C151 H152 H153 P166 F244 P560 | L142-H150 CarbonylContact O-C 3.47Å; L142-H150 WeakPolarHBondContact O-CA 3.31Å; L142-C151 PolarHBondContact O-N 3.29Å; L142-H152 PolarHBondContact O-N 2.83Å; L142-H153 HydrophobicContact CD1-CB 4.48Å; L142-P166 HydrophobicContact CB-CB 4.39Å; L142-P166 HydrophobicContact CD1-CB 4.05Å; L142-P166 HydrophobicContact CD2-CB 4.46Å; L142-P166 HydrophobicContact CD2-CG 4.32Å; L142-F244 HydrophobicContact CD1-CZ 4.39Å; L142-F244 HydrophobicContact CD2-CE2 4.41Å; L142-F244 HydrophobicContact CD2-CZ 4.02Å; L142-P560 HydrophobicContact CD2-CB 4.22Å; L142-P560 HydrophobicContact CD2-CG 3.8Å | ||
| 143 | N | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -121.7 | 159.7 | -170.9 | -69.2 | -37.2 | 0 | 0 | 0 | 111.9 | S111 S146 S147 D149 H150 L558 | S111-N143 WeakPolarHBondContact CA-O 3.44Å; N143-S146 VanDerWaalsContact CB-O 3.27Å; N143-S146 WeakPolarHBondContact CB-O 3.49Å; N143-S147 VanDerWaalsContact ND2-C 3.31Å; N143-S147 PolarHBondContact ND2-O 2.97Å; N143-D149 VanDerWaalsContact CA-OD1 3.25Å; N143-D149 WeakPolarHBondContact CA-OD1 3.3Å; N143-H150 WeakPolarHBondContact OD1-CA 3.46Å; N143-H150 PolarHBondContact OD1-N 2.86Å; N143-L558 HydrophobicContact CB-CD2 4.33Å; N143-L558 PolarHBondContact ND2-O 3.21Å | ||
| 144 | C | 96.3 | Very high | 97.5 | Very high | 40 Ų | 40 | 25.8 Ų | 25.8 | 27% | 0.27 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -113.2 | -58.3 | -179.7 | -74.9 | 0 | 0 | 0 | 0 | 112.4 | S111 D149 C151 H152 | S111-C144 WeakPolarHBondContact CB-O 3.43Å; C144-D149 PolarHBondContact N-OD1 2.89Å; C144-D149 PolarHBondContact N-OD2 3.12Å; C144-C151 WeakPolarHBondContact CA-SG 3.38Å; C144-C151 HydrophobicContact CB-CB 3.78Å; C144-C151 WeakPolarHBondContact CB-SG 3.46Å; C144-C151 PolarHBondContact N-SG 2.94Å; C144-C151 WeakPolarHBondContact SG-CB 3.25Å; C144-C151 CovalentContact SG-SG 2Å; C144-C151 PolarHBondContact SG-SG 3.23Å; C144-H152 PolarHBondContact SG-NE2 3.38Å; C144-H152 VanDerWaalsContact SG-NE2 3.35Å |
| 145 | E | 96.4 | Very high | 97.5 | Very high | 164 Ų | 164 | 27.4 Ų | 27.4 | 77% | 0.766 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -117.8 | -33.4 | -168.6 | -61.9 | -173 | 170.4 | 0 | 0 | 112 | D149 L558 | E145-D149 WeakPolarHBondContact CA-OD2 3.42Å; E145-D149 PolarHBondContact N-OD2 3.49Å; E145-L558 WeakPolarHBondContact O-CD2 3.43Å |
| 146 | S | 96.2 | Very high | 97.4 | Very high | 46 Ų | 46 | 29.9 Ų | 29.9 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -137 | 157.2 | -178.2 | 59.3 | 0 | 0 | 0 | 0 | 111.8 | N143 D148 D149 | N143-S146 VanDerWaalsContact CB-O 3.27Å; N143-S146 WeakPolarHBondContact CB-O 3.49Å; S146-D148 PolarHBondContact O-N 3.26Å; S146-D148 PolarHBondContact OG-OD1 2.93Å; S146-D149 PolarHBondContact N-OD2 2.87Å; S146-D149 PolarHBondContact O-N 3.18Å; S146-D149 WeakPolarHBondContact OG-CB 3.4Å; S146-D149 PolarHBondContact OG-OD2 2.76Å |
| 147 | S | 93.9 | Very high | 97.4 | Very high | 53 Ų | 53 | 29.9 Ų | 29.9 | 37% | 0.371 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -9.2 | -175.8 | 52.2 | 0 | 0 | 0 | 0 | 115.3 | N143 W557 | N143-S147 VanDerWaalsContact ND2-C 3.31Å; N143-S147 PolarHBondContact ND2-O 2.97Å; S147-W557 PolarHBondContact N-O 3.04Å |
| 148 | D | 94.2 | Very high | 97.4 | Very high | 113 Ų | 113 | 30 Ų | 30 | 60% | 0.604 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -128.4 | 3.9 | -173.5 | 62.6 | -31.4 | 0 | 0 | 0 | 114.3 | S146 H150 | S146-D148 PolarHBondContact O-N 3.26Å; S146-D148 PolarHBondContact OG-OD1 2.93Å; D148-H150 VanDerWaalsContact C-N 3.34Å; D148-H150 VanDerWaalsContact C-ND1 3.35Å; D148-H150 PolarHBondContact O-N 3.28Å; D148-H150 PolarHBondContact O-ND1 3.35Å |
| 149 | D | 96.3 | Very high | 97.4 | Very high | 54 Ų | 54 | 30.1 Ų | 30.1 | 29% | 0.289 | 18% | 0.175 | S | C | . | . | trans | -72.7 | -24.5 | 179.1 | 64 | 41.2 | 0 | 0 | 0 | 114.3 | N143 C144 E145 S146 C151 | N143-D149 VanDerWaalsContact CA-OD1 3.25Å; N143-D149 WeakPolarHBondContact CA-OD1 3.3Å; C144-D149 PolarHBondContact N-OD1 2.89Å; C144-D149 PolarHBondContact N-OD2 3.12Å; E145-D149 WeakPolarHBondContact CA-OD2 3.42Å; E145-D149 PolarHBondContact N-OD2 3.49Å; S146-D149 PolarHBondContact N-OD2 2.87Å; S146-D149 PolarHBondContact O-N 3.18Å; S146-D149 WeakPolarHBondContact OG-CB 3.4Å; S146-D149 PolarHBondContact OG-OD2 2.76Å; D149-C151 PolarHBondContact O-N 2.86Å; D149-C151 VanDerWaalsContact O-N 3.08Å; D149-C151 PolarHBondContact OD1-N 3.32Å | ||
| 150 | H | 97.1 | Very high | 97.4 | Very high | 24 Ų | 24 | 33.5 Ų | 33.5 | 11% | 0.111 | 19% | 0.193 | C | C | . | . | trans | 51.9 | 32.5 | 176.7 | -65.4 | 97.9 | 0 | 0 | 0 | 113.8 | L142 N143 D148 H152 H153 F244 H247 | L142-H150 CarbonylContact O-C 3.47Å; L142-H150 WeakPolarHBondContact O-CA 3.31Å; N143-H150 WeakPolarHBondContact OD1-CA 3.46Å; N143-H150 PolarHBondContact OD1-N 2.86Å; D148-H150 VanDerWaalsContact C-N 3.34Å; D148-H150 VanDerWaalsContact C-ND1 3.35Å; D148-H150 PolarHBondContact O-N 3.28Å; D148-H150 PolarHBondContact O-ND1 3.35Å; H150-H152 PolarHBondContact O-N 2.86Å; H150-H153 HydrophobicContact CB-CB 3.6Å; H150-H153 AromaticContact CD2-CD2 3.76Å; H150-H153 WeakPolarHBondContact O-CB 3.35Å; H150-H153 PolarHBondContact O-N 2.98Å; H150-F244 AromaticContact NE2-CE1 3.83Å; H150-H247 AromaticContact CG-CD2 3.9Å | ||
| 151 | C | 97.6 | Very high | 97.4 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16.6 | -172.3 | 73.5 | 0 | 0 | 0 | 0 | 115.1 | L142 C144 D149 V156 | L142-C151 PolarHBondContact O-N 3.29Å; C144-C151 WeakPolarHBondContact CA-SG 3.38Å; C144-C151 HydrophobicContact CB-CB 3.78Å; C144-C151 WeakPolarHBondContact CB-SG 3.46Å; C144-C151 PolarHBondContact N-SG 2.94Å; C144-C151 WeakPolarHBondContact SG-CB 3.25Å; C144-C151 CovalentContact SG-SG 2Å; C144-C151 PolarHBondContact SG-SG 3.23Å; D149-C151 PolarHBondContact O-N 2.86Å; D149-C151 VanDerWaalsContact O-N 3.08Å; D149-C151 PolarHBondContact OD1-N 3.32Å; C151-V156 WeakPolarHBondContact O-CG2 3.44Å |
| 152 | H | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 4.3 | 178.2 | -62.2 | -52.1 | 0 | 0 | 0 | 112.2 | S111 G113 L114 W138 L142 C144 H150 | S111-H152 PolarHBondContact O-NE2 3.2Å; G113-H152 PolarHBondContact N-NE2 3.22Å; L114-H152 PolarHBondContact O-ND1 3.38Å; W138-H152 PolarHBondContact NE1-O 3Å; L142-H152 PolarHBondContact O-N 2.83Å; C144-H152 PolarHBondContact SG-NE2 3.38Å; C144-H152 VanDerWaalsContact SG-NE2 3.35Å; H150-H152 PolarHBondContact O-N 2.86Å |
| 153 | H | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -65.1 | 149.2 | -177.4 | -175.6 | -93.8 | 0 | 0 | 0 | 111.4 | L142 H150 S155 V156 H157 F162 D246 H247 | L142-H153 HydrophobicContact CD1-CB 4.48Å; H150-H153 HydrophobicContact CB-CB 3.6Å; H150-H153 AromaticContact CD2-CD2 3.76Å; H150-H153 WeakPolarHBondContact O-CB 3.35Å; H150-H153 PolarHBondContact O-N 2.98Å; H153-S155 WeakPolarHBondContact ND1-CB 3.17Å; H153-S155 PolarHBondContact ND1-N 3.39Å; H153-S155 VanDerWaalsContact ND1-N 3.2Å; H153-S155 PolarHBondContact ND1-OG 3.3Å; H153-S155 PolarHBondContact O-N 3.38Å; H153-V156 WeakPolarHBondContact O-CG2 3.3Å; H153-V156 PolarHBondContact O-N 2.64Å; H153-H157 PolarHBondContact O-CD2 2.88Å; H153-F162 AromaticContact CE1-CD1 3.89Å; H153-F162 AromaticContact NE2-CD1 3.38Å; H153-F162 WeakPolarHBondContact NE2-CD1 3.28Å; H153-F162 AromaticContact NE2-CE1 3.92Å; H153-D246 PolarHBondContact CE1-O 3.04Å; H153-D246 PolarHBondContact NE2-O 3.4Å; H153-H247 AromaticContact ND1-CD2 3.93Å; H153-H247 AromaticContact ND1-NE2 3.76Å |
| 154 | P | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -48.3 | -32.3 | 178.7 | -31.5 | 35.9 | 0 | 0 | 0 | 115.1 | L134 W138 V156 H157 G158 F159 F162 | L134-P154 HydrophobicContact CD2-CB 3.79Å; L134-P154 HydrophobicContact CD2-CG 3.54Å; W138-P154 HydrophobicContact CB-CG 4.22Å; W138-P154 HydrophobicContact CD2-CG 3.71Å; W138-P154 HydrophobicContact CE3-CG 4.08Å; W138-P154 HydrophobicContact CG-CG 3.77Å; P154-V156 PolarHBondContact O-N 3.09Å; P154-H157 CarbonylContact O-C 3.53Å; P154-H157 WeakPolarHBondContact O-CA 3.38Å; P154-H157 PolarHBondContact O-N 3.17Å; P154-G158 PolarHBondContact O-N 3.05Å; P154-F159 HydrophobicContact CB-CB 4.17Å; P154-F159 HydrophobicContact CB-CD2 3.92Å; P154-F159 HydrophobicContact CB-CG 4.39Å; P154-F159 PolarHBondContact O-N 3.35Å; P154-F162 HydrophobicContact CB-CB 4.37Å; P154-F162 HydrophobicContact CB-CD2 4.37Å; P154-F162 HydrophobicContact CB-CG 4.27Å; P154-F162 HydrophobicContact CG-CD1 4.12Å; P154-F162 HydrophobicContact CG-CD2 3.92Å; P154-F162 HydrophobicContact CG-CE1 4.24Å; P154-F162 HydrophobicContact CG-CE2 4.08Å; P154-F162 HydrophobicContact CG-CG 3.94Å; P154-F162 HydrophobicContact CG-CZ 4.23Å |
| 155 | S | 97.8 | Very high | 97.6 | Very high | 33 Ų | 33 | 32.8 Ų | 32.8 | 23% | 0.231 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -60.5 | -38.4 | 179.7 | 61.5 | 0 | 0 | 0 | 0 | 113.9 | H153 H157 G158 F159 H247 | H153-S155 WeakPolarHBondContact ND1-CB 3.17Å; H153-S155 PolarHBondContact ND1-N 3.39Å; H153-S155 VanDerWaalsContact ND1-N 3.2Å; H153-S155 PolarHBondContact ND1-OG 3.3Å; H153-S155 PolarHBondContact O-N 3.38Å; S155-H157 PolarHBondContact O-N 3.26Å; S155-G158 PolarHBondContact O-N 2.95Å; S155-F159 WeakPolarHBondContact CA-O 3.03Å; S155-H247 PolarHBondContact OG-NE2 3.29Å |
| 156 | V | 98.1 | Very high | 97.6 | Very high | 52 Ų | 52 | 25 Ų | 25 | 32% | 0.315 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -76.8 | -14.1 | 177 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | K123 C151 H153 P154 | K123-V156 PolarHBondContact NZ-O 3.47Å; C151-V156 WeakPolarHBondContact O-CG2 3.44Å; H153-V156 WeakPolarHBondContact O-CG2 3.3Å; H153-V156 PolarHBondContact O-N 2.64Å; P154-V156 PolarHBondContact O-N 3.09Å |
| 157 | H | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -100.9 | 19.7 | 175.7 | -66.2 | -69.8 | 0 | 0 | 0 | 113.1 | L114 T120 W138 H153 P154 S155 | L114-H157 PolarHBondContact O-CE1 2.84Å; L114-H157 VanDerWaalsContact O-CE1 3.24Å; L114-H157 PolarHBondContact O-NE2 2.76Å; L114-H157 VanDerWaalsContact O-NE2 3.08Å; T120-H157 HydrophobicContact CG2-CB 3.99Å; T120-H157 PolarHBondContact OG1-O 3.43Å; W138-H157 HydrophobicContact CH2-CB 3.92Å; W138-H157 HydrophobicContact CZ2-CB 4.28Å; W138-H157 AromaticContact CZ2-CD2 3.5Å; H153-H157 PolarHBondContact O-CD2 2.88Å; P154-H157 CarbonylContact O-C 3.53Å; P154-H157 WeakPolarHBondContact O-CA 3.38Å; P154-H157 PolarHBondContact O-N 3.17Å; S155-H157 PolarHBondContact O-N 3.26Å |
| 158 | G | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 10.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K126 T132 P154 S155 | K126-G158 WeakPolarHBondContact CD-O 3.3Å; T132-G158 WeakPolarHBondContact CB-O 3.45Å; T132-G158 PolarHBondContact OG1-O 2.98Å; P154-G158 PolarHBondContact O-N 3.05Å; S155-G158 PolarHBondContact O-N 2.95Å |
| 159 | F | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 15.5 Ų | 15.5 | 1% | 0.013 | 9% | 0.087 | C | C | . | . | trans | -89.2 | 124.5 | 170.3 | -64.7 | -76.1 | 0 | 0 | 0 | 110.8 | L86 A122 T132 A133 L134 W138 P154 S155 L280 F282 | L86-F159 HydrophobicContact CD2-CE2 4.38Å; L86-F159 HydrophobicContact CD2-CZ 4.16Å; A122-F159 HydrophobicContact CB-CD1 4.07Å; A122-F159 HydrophobicContact CB-CD2 4.23Å; A122-F159 HydrophobicContact CB-CE1 3.7Å; A122-F159 HydrophobicContact CB-CE2 3.85Å; A122-F159 HydrophobicContact CB-CG 4.34Å; A122-F159 HydrophobicContact CB-CZ 3.57Å; T132-F159 VanDerWaalsContact OG1-CA 3.23Å; T132-F159 WeakPolarHBondContact OG1-CA 3.17Å; A133-F159 VanDerWaalsContact C-CD1 3.44Å; L134-F159 HydrophobicContact CB-CB 4.37Å; L134-F159 HydrophobicContact CB-CD1 3.78Å; L134-F159 HydrophobicContact CB-CD2 4.15Å; L134-F159 HydrophobicContact CB-CE1 4.03Å; L134-F159 HydrophobicContact CB-CE2 4.39Å; L134-F159 HydrophobicContact CB-CG 3.83Å; L134-F159 HydrophobicContact CB-CZ 4.34Å; W138-F159 HydrophobicContact CZ3-CE2 4.06Å; P154-F159 HydrophobicContact CB-CB 4.17Å; P154-F159 HydrophobicContact CB-CD2 3.92Å; P154-F159 HydrophobicContact CB-CG 4.39Å; P154-F159 PolarHBondContact O-N 3.35Å; S155-F159 WeakPolarHBondContact CA-O 3.03Å; F159-L280 HydrophobicContact CE1-CD2 3.8Å; F159-F282 HydrophobicContact CE1-CB 3.91Å; F159-F282 HydrophobicContact CE1-CD1 4.5Å; F159-F282 HydrophobicContact CZ-CB 4.18Å; F159-F282 AromaticContact CZ-CD1 3.95Å; F159-F282 HydrophobicContact CZ-CD1 3.95Å | ||
| 160 | D | 98.4 | Very high | 97.4 | Very high | 73 Ų | 73 | 13.2 Ų | 13.2 | 39% | 0.39 | 8% | 0.075 | S | C | . | . | S | Bend | trans | -74.1 | -32.6 | 175 | -65.9 | -50 | 0 | 0 | 0 | 112.3 | K126 T132 | K126-D160 WeakPolarHBondContact CD-OD1 3.42Å; K126-D160 WeakPolarHBondContact CE-OD1 3.47Å; K126-D160 IonicContact NZ-OD1 2.77Å; K126-D160 PolarHBondContact NZ-OD1 2.98Å; T132-D160 PolarHBondContact N-OD2 2.76Å; T132-D160 VanDerWaalsContact N-OD2 3.09Å; T132-D160 WeakPolarHBondContact O-CA 3.45Å; T132-D160 WeakPolarHBondContact O-CB 3.49Å; T132-D160 PolarHBondContact O-N 3.38Å; T132-D160 PolarHBondContact OG1-N 2.85Å; T132-D160 PolarHBondContact OG1-OD2 3.07Å |
| 161 | Y | 98.8 | Very high | 97 | Very high | 24 Ų | 24 | 13.6 Ų | 13.6 | 9% | 0.094 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.2 | -179 | -177.1 | -117.6 | 0 | 0 | 0 | 111.3 | T132 A133 L134 F163 R245 D246 E266 | T132-Y161 PolarHBondContact O-N 2.87Å; A133-Y161 WeakPolarHBondContact CA-O 3.36Å; A133-Y161 HydrophobicContact CB-CD1 4.09Å; L134-Y161 PolarHBondContact N-O 3.48Å; Y161-F163 HydrophobicContact CE1-CB 4.04Å; Y161-R245 HydrophobicContact CE2-CG 4.15Å; Y161-R245 PolarHBondContact OH-NH1 3.46Å; Y161-D246 VanDerWaalsContact CD2-OD1 3.28Å; Y161-D246 WeakPolarHBondContact CD2-OD1 2.96Å; Y161-E266 PolarHBondContact OH-OE2 3.23Å |
| 162 | F | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.009 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 128.5 | 172.2 | 176.4 | -129.1 | 0 | 0 | 0 | 111.3 | L134 W138 H153 P154 F244 R245 D246 | L134-F162 HydrophobicContact CB-CD2 4.01Å; L134-F162 HydrophobicContact CD2-CD2 3.74Å; L134-F162 HydrophobicContact CD2-CE2 3.73Å; L134-F162 HydrophobicContact CG-CD2 3.77Å; L134-F162 HydrophobicContact CG-CE2 3.95Å; L134-F162 WeakPolarHBondContact O-CA 3.36Å; L134-F162 WeakPolarHBondContact O-CD2 3.43Å; W138-F162 HydrophobicContact CB-CZ 4.44Å; H153-F162 AromaticContact CE1-CD1 3.89Å; H153-F162 AromaticContact NE2-CD1 3.38Å; H153-F162 WeakPolarHBondContact NE2-CD1 3.28Å; H153-F162 AromaticContact NE2-CE1 3.92Å; P154-F162 HydrophobicContact CB-CB 4.37Å; P154-F162 HydrophobicContact CB-CD2 4.37Å; P154-F162 HydrophobicContact CB-CG 4.27Å; P154-F162 HydrophobicContact CG-CD1 4.12Å; P154-F162 HydrophobicContact CG-CD2 3.92Å; P154-F162 HydrophobicContact CG-CE1 4.24Å; P154-F162 HydrophobicContact CG-CE2 4.08Å; P154-F162 HydrophobicContact CG-CG 3.94Å; P154-F162 HydrophobicContact CG-CZ 4.23Å; F162-F244 HydrophobicContact CD1-CB 3.95Å; F162-F244 HydrophobicContact CE1-CB 3.59Å; F162-F244 HydrophobicContact CE1-CG 4.33Å; F162-R245 CarbonylContact O-C 3.53Å; F162-R245 WeakPolarHBondContact O-CA 3.27Å; F162-D246 PolarHBondContact N-OD1 3.4Å; F162-D246 VanDerWaalsContact N-OD1 3.12Å; F162-D246 PolarHBondContact O-N 2.95Å |
| 163 | F | 98.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 13.3 Ų | 13.3 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 114.8 | 165 | 175.2 | -93.7 | 0 | 0 | 0 | 109.1 | L134 I135 G136 Y161 L243 F244 R245 K262 M263 E266 | L134-F163 PolarHBondContact O-N 3.33Å; I135-F163 CarbonylContact C-O 3.6Å; I135-F163 VanDerWaalsContact CA-O 3.26Å; I135-F163 WeakPolarHBondContact CA-O 3.43Å; I135-F163 HydrophobicContact CG2-CD1 4.26Å; G136-F163 PolarHBondContact N-O 3.27Å; Y161-F163 HydrophobicContact CE1-CB 4.04Å; F163-L243 HydrophobicContact CE1-CD1 4.43Å; F163-L243 HydrophobicContact CE2-CD2 4.13Å; F163-L243 HydrophobicContact CE2-CG 4.4Å; F163-L243 HydrophobicContact CZ-CD1 4.22Å; F163-L243 HydrophobicContact CZ-CD2 3.93Å; F163-L243 HydrophobicContact CZ-CG 4.41Å; F163-F244 WeakPolarHBondContact CA-O 3.48Å; F163-R245 HydrophobicContact CD2-CB 4.4Å; F163-K262 HydrophobicContact CE1-CB 4.23Å; F163-K262 HydrophobicContact CZ-CB 4.18Å; F163-M263 HydrophobicContact CD1-CG 4.41Å; F163-M263 HydrophobicContact CE1-CG 4.15Å; F163-E266 HydrophobicContact CB-CG 4.32Å; F163-E266 HydrophobicContact CD1-CB 4.16Å; F163-E266 HydrophobicContact CD1-CG 3.65Å; F163-E266 HydrophobicContact CD2-CG 4.18Å; F163-E266 HydrophobicContact CE1-CG 3.92Å; F163-E266 HydrophobicContact CE2-CG 4.42Å; F163-E266 HydrophobicContact CG-CB 4.41Å; F163-E266 HydrophobicContact CG-CG 3.78Å; F163-E266 HydrophobicContact CZ-CG 4.29Å |
| 164 | G | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.5 | -154.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G136 F244 | G136-G164 CarbonylContact O-C 3.43Å; G136-G164 VanDerWaalsContact O-CA 3.28Å; G136-G164 WeakPolarHBondContact O-CA 3.36Å; G164-F244 PolarHBondContact N-O 3.36Å; G164-F244 PolarHBondContact O-N 3.03Å |
| 165 | I | 98.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.4 | -171.2 | 67.7 | 172.1 | 0 | 0 | 0 | 110.8 | G136 K137 W138 L167 T168 I242 L243 F254 L286 | G136-I165 PolarHBondContact O-N 3.26Å; K137-I165 HydrophobicContact CB-CG1 4.32Å; W138-I165 PolarHBondContact N-O 3.27Å; I165-L167 VanDerWaalsContact C-N 3.35Å; I165-L167 PolarHBondContact O-N 2.86Å; I165-T168 VanDerWaalsContact CD1-C 3.41Å; I165-I242 WeakPolarHBondContact CG2-O 3.36Å; I165-L243 HydrophobicContact CG2-CD1 4.14Å; I165-F254 HydrophobicContact CB-CE1 4.42Å; I165-F254 HydrophobicContact CG2-CD1 3.8Å; I165-F254 HydrophobicContact CG2-CE1 3.57Å; I165-F254 HydrophobicContact CG2-CZ 4.37Å; I165-L286 HydrophobicContact CD1-CD1 4.04Å; I165-L286 HydrophobicContact CD1-CD2 3.78Å; I165-L286 HydrophobicContact CD1-CG 3.69Å; I165-L286 HydrophobicContact CG1-CD1 4.05Å; I165-L286 HydrophobicContact CG1-CD2 4.44Å; I165-L286 HydrophobicContact CG1-CG 4.26Å; I165-L286 HydrophobicContact CG2-CD2 4.47Å |
| 166 | P | 97.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -72.3 | -26.6 | -179.1 | 23.9 | -30.2 | 0 | 0 | 0 | 113.6 | N108 H139 L142 I242 F244 | N108-P166 WeakPolarHBondContact OD1-CG 3.18Å; H139-P166 WeakPolarHBondContact CA-O 3.29Å; H139-P166 PolarHBondContact N-O 3.34Å; L142-P166 HydrophobicContact CB-CB 4.39Å; L142-P166 HydrophobicContact CD1-CB 4.05Å; L142-P166 HydrophobicContact CD2-CB 4.46Å; L142-P166 HydrophobicContact CD2-CG 4.32Å; P166-I242 WeakPolarHBondContact CD-O 3.44Å; P166-F244 HydrophobicContact CG-CD2 3.87Å; P166-F244 HydrophobicContact CG-CE2 3.79Å |
| 167 | L | 96.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -97.8 | -119.6 | 179.8 | -168.4 | 68.5 | 0 | 0 | 0 | 111.5 | F105 N108 H139 I165 L170 N240 | F105-L167 HydrophobicContact CB-CD1 3.8Å; F105-L167 WeakPolarHBondContact O-CD1 3.42Å; N108-L167 VanDerWaalsContact OD1-CB 3.26Å; N108-L167 WeakPolarHBondContact OD1-CB 3.45Å; H139-L167 VanDerWaalsContact CA-O 3.24Å; H139-L167 WeakPolarHBondContact CA-O 3.19Å; H139-L167 WeakPolarHBondContact CB-O 3.32Å; H139-L167 PolarHBondContact N-O 2.68Å; I165-L167 VanDerWaalsContact C-N 3.35Å; I165-L167 PolarHBondContact O-N 2.86Å; L167-L170 HydrophobicContact CD2-CD1 3.96Å; L167-N240 HydrophobicContact CD2-CB 4.07Å |
| 168 | T | 95.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | trans | -146.3 | 157.7 | -179.9 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | K137 I165 L170 | K137-T168 WeakPolarHBondContact CE-OG1 3.49Å; K137-T168 PolarHBondContact NZ-OG1 2.98Å; I165-T168 VanDerWaalsContact CD1-C 3.41Å; T168-L170 HydrophobicContact CG2-CD2 3.58Å; T168-L170 HydrophobicContact CG2-CG 4.05Å; T168-L170 PolarHBondContact O-N 3.09Å | ||
| 169 | N | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -63 | 131.4 | 166.1 | -171 | 21 | 0 | 0 | 0 | 108 | L286 H289 T290 A291 | N169-L286 HydrophobicContact CB-CB 4.45Å; N169-L286 HydrophobicContact CB-CD2 4.46Å; N169-L286 HydrophobicContact CB-CG 4.41Å; N169-H289 PolarHBondContact ND2-O 3.16Å; N169-H289 PolarHBondContact O-CE1 3.19Å; N169-H289 PolarHBondContact O-ND1 2.85Å; N169-T290 CarbonylContact C-O 3.54Å; N169-T290 VanDerWaalsContact C-O 3.25Å; N169-A291 PolarHBondContact ND2-N 2.95Å; N169-A291 PolarHBondContact ND2-O 3.14Å | ||
| 170 | L | 90.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | trans | -121.3 | 154.1 | 179.1 | -65.9 | 174.1 | 0 | 0 | 0 | 108.5 | L167 T168 D172 C173 V180 N240 | L167-L170 HydrophobicContact CD2-CD1 3.96Å; T168-L170 HydrophobicContact CG2-CD2 3.58Å; T168-L170 HydrophobicContact CG2-CG 4.05Å; T168-L170 PolarHBondContact O-N 3.09Å; L170-D172 HydrophobicContact CB-CB 4.45Å; L170-D172 PolarHBondContact O-N 3.41Å; L170-D172 VanDerWaalsContact O-N 3.16Å; L170-C173 WeakPolarHBondContact O-CB 3.36Å; L170-C173 PolarHBondContact O-N 2.78Å; L170-V180 HydrophobicContact CB-CG2 4.23Å; L170-V180 HydrophobicContact CD2-CG2 4Å; L170-N240 HydrophobicContact CD1-CB 4.27Å | ||
| 171 | R | 88.8 | Confident | 90.5 | Very high | 32 Ų | 32 | 26.3 Ų | 26.3 | 12% | 0.121 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -51.4 | -38.6 | 170.6 | -74.1 | 178.7 | 171.5 | -150 | 2.5 | 112.1 | C173 Q174 H177 G178 V180 T290 E348 L349 | R171-C173 PolarHBondContact O-N 2.77Å; R171-Q174 PolarHBondContact O-N 2.82Å; R171-Q174 VanDerWaalsContact O-N 3.16Å; R171-Q174 VanDerWaalsContact O-O 3.12Å; R171-H177 HydrophobicContact CB-CB 4.33Å; R171-H177 WeakPolarHBondContact CD-O 3.32Å; R171-G178 CarbonylContact C-O 3.59Å; R171-V180 HydrophobicContact CB-CG2 3.93Å; R171-V180 HydrophobicContact CG-CG2 4.25Å; R171-T290 HydrophobicContact CG-CG2 3.96Å; R171-T290 VanDerWaalsContact CG-OG1 3.32Å; R171-T290 WeakPolarHBondContact CG-OG1 3.08Å; R171-E348 IonicContact CZ-OE1 3.28Å; R171-E348 IonicContact CZ-OE2 3.89Å; R171-E348 IonicContact NE-OE1 2.72Å; R171-E348 PolarHBondContact NE-OE1 2.94Å; R171-E348 IonicContact NE-OE2 3.14Å; R171-E348 PolarHBondContact NE-OE2 3.22Å; R171-E348 IonicContact NH2-OE1 2.75Å; R171-E348 PolarHBondContact NH2-OE1 2.94Å; R171-E348 IonicContact NH2-OE2 3.98Å; R171-E348 PolarHBondContact NH2-OE2 3.35Å; R171-L349 PolarHBondContact NH2-O 3.23Å |
| 172 | D | 90.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -60.3 | -25.9 | 178.7 | -55.7 | -107 | 0 | 0 | 0 | 112.9 | L170 Q174 T179 V180 I236 P237 | L170-D172 HydrophobicContact CB-CB 4.45Å; L170-D172 PolarHBondContact O-N 3.41Å; L170-D172 VanDerWaalsContact O-N 3.16Å; D172-Q174 PolarHBondContact O-N 2.8Å; D172-T179 WeakPolarHBondContact OD1-CA 3.49Å; D172-T179 WeakPolarHBondContact OD1-CB 3.46Å; D172-T179 PolarHBondContact OD1-OG1 2.98Å; D172-T179 WeakPolarHBondContact OD2-CA 3.45Å; D172-V180 PolarHBondContact OD2-N 3.36Å; D172-I236 HydrophobicContact CB-CB 4.44Å; D172-I236 HydrophobicContact CB-CG2 3.51Å; D172-P237 VanDerWaalsContact O-CG 3.25Å; D172-P237 WeakPolarHBondContact O-CG 3.34Å |
| 173 | C | 91.2 | Very high | 88.3 | Confident | 12 Ų | 12 | 30 Ų | 30 | 8% | 0.081 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -75.3 | -9 | 179.8 | -59.2 | 0 | 0 | 0 | 0 | 114 | L170 R171 C241 F254 | L170-C173 WeakPolarHBondContact O-CB 3.36Å; L170-C173 PolarHBondContact O-N 2.78Å; R171-C173 PolarHBondContact O-N 2.77Å; C173-C241 WeakPolarHBondContact CA-SG 3.32Å; C173-C241 HydrophobicContact CB-CB 3.78Å; C173-C241 WeakPolarHBondContact CB-SG 3.29Å; C173-C241 WeakPolarHBondContact SG-CB 3.25Å; C173-C241 CovalentContact SG-SG 2.03Å; C173-C241 PolarHBondContact SG-SG 2.96Å; C173-F254 HydrophobicContact CB-CE2 3.81Å; C173-F254 HydrophobicContact CB-CZ 3.79Å |
| 174 | Q | 87.8 | Confident | 86.8 | Confident | 43 Ų | 43 | 34.2 Ų | 34.2 | 20% | 0.201 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -124.1 | 116.6 | 176.2 | -163.4 | 163 | -29.9 | 0 | 0 | 110.8 | R171 D172 G176 H177 L256 A291 L292 | R171-Q174 PolarHBondContact O-N 2.82Å; R171-Q174 VanDerWaalsContact O-N 3.16Å; R171-Q174 VanDerWaalsContact O-O 3.12Å; D172-Q174 PolarHBondContact O-N 2.8Å; Q174-G176 PolarHBondContact O-N 3.01Å; Q174-H177 HydrophobicContact CB-CB 4.31Å; Q174-H177 VanDerWaalsContact CG-CD2 3.48Å; Q174-H177 WeakPolarHBondContact CG-CD2 3.19Å; Q174-H177 PolarHBondContact NE2-CE1 3Å; Q174-H177 PolarHBondContact NE2-NE2 3.49Å; Q174-H177 PolarHBondContact O-N 3.33Å; Q174-L256 HydrophobicContact CB-CD1 3.87Å; Q174-L256 HydrophobicContact CG-CD1 4.23Å; Q174-A291 HydrophobicContact CB-CB 3.31Å; Q174-A291 HydrophobicContact CG-CB 4.21Å; Q174-L292 PolarHBondContact NE2-O 3.48Å; Q174-L292 PolarHBondContact OE1-O 3.16Å |
| 175 | P | 83.4 | Confident | 85.4 | Confident | 125 Ų | 125 | 39.5 Ų | 39.5 | 81% | 0.812 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 131 | 175.7 | -27.1 | 35.1 | 0 | 0 | 0 | 111.8 | ||
| 176 | G | 81.6 | Confident | 84.1 | Confident | 72 Ų | 72 | 46.8 Ų | 46.8 | 74% | 0.742 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | -8.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q174 | Q174-G176 PolarHBondContact O-N 3.01Š|
| 177 | H | 80.4 | Confident | 83 | Confident | 56 Ų | 56 | 49 Ų | 49 | 26% | 0.259 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -89.4 | -2.3 | 179.8 | -73.9 | -115.2 | 0 | 0 | 0 | 114 | R171 Q174 A291 | R171-H177 HydrophobicContact CB-CB 4.33Å; R171-H177 WeakPolarHBondContact CD-O 3.32Å; Q174-H177 HydrophobicContact CB-CB 4.31Å; Q174-H177 VanDerWaalsContact CG-CD2 3.48Å; Q174-H177 WeakPolarHBondContact CG-CD2 3.19Å; Q174-H177 PolarHBondContact NE2-CE1 3Å; Q174-H177 PolarHBondContact NE2-NE2 3.49Å; Q174-H177 PolarHBondContact O-N 3.33Å; H177-A291 HydrophobicContact CB-CB 3.97Å |
| 178 | G | 83.1 | Confident | 82.1 | Confident | 49 Ų | 49 | 52 Ų | 52 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | trans | 86.3 | -159.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R171 | R171-G178 CarbonylContact C-O 3.59Š| ||
| 179 | T | 82.1 | Confident | 81.2 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | trans | -127.3 | 141.6 | -178.3 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | D172 F181 Q182 I233 | D172-T179 WeakPolarHBondContact OD1-CA 3.49Å; D172-T179 WeakPolarHBondContact OD1-CB 3.46Å; D172-T179 PolarHBondContact OD1-OG1 2.98Å; D172-T179 WeakPolarHBondContact OD2-CA 3.45Å; T179-F181 WeakPolarHBondContact CG2-O 3.37Å; T179-F181 WeakPolarHBondContact OG1-CB 3.12Å; T179-F181 PolarHBondContact OG1-N 3.02Å; T179-Q182 PolarHBondContact O-NE2 3.37Å; T179-I233 HydrophobicContact CG2-CD1 4.31Å; T179-I233 HydrophobicContact CG2-CG2 4.29Å | ||
| 180 | V | 83.1 | Confident | 80.4 | Confident | 53 Ų | 53 | 58 Ų | 58 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -72.8 | -21.1 | 169.8 | -170.2 | 0 | 0 | 0 | 0 | 110.3 | L170 R171 D172 Q182 | L170-V180 HydrophobicContact CB-CG2 4.23Å; L170-V180 HydrophobicContact CD2-CG2 4Å; R171-V180 HydrophobicContact CB-CG2 3.93Å; R171-V180 HydrophobicContact CG-CG2 4.25Å; D172-V180 PolarHBondContact OD2-N 3.36Å; V180-Q182 PolarHBondContact O-N 2.84Å; V180-Q182 VanDerWaalsContact O-N 3.07Å |
| 181 | F | 82.8 | Confident | 80 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 10% | 0.101 | 36% | 0.361 | C | S | . | . | trans | -82.1 | 86.3 | 179 | -60.3 | -84.2 | 0 | 0 | 0 | 111.6 | I106 F107 T179 I183 F232 I236 | I106-F181 HydrophobicContact CB-CZ 4.45Å; I106-F181 HydrophobicContact CD1-CE1 3.75Å; I106-F181 HydrophobicContact CD1-CZ 4.39Å; I106-F181 HydrophobicContact CG1-CE1 4.29Å; F107-F181 HydrophobicContact CD1-CZ 4.43Å; F107-F181 AromaticContact CE1-CE1 3.86Å; F107-F181 HydrophobicContact CE1-CE1 3.86Å; F107-F181 AromaticContact CE1-CZ 3.68Å; F107-F181 HydrophobicContact CE1-CZ 3.68Å; F107-F181 HydrophobicContact CE2-CE1 4.03Å; F107-F181 HydrophobicContact CE2-CZ 4.46Å; F107-F181 HydrophobicContact CZ-CD1 4.4Å; F107-F181 AromaticContact CZ-CE1 3.37Å; F107-F181 HydrophobicContact CZ-CE1 3.37Å; F107-F181 AromaticContact CZ-CZ 3.7Å; F107-F181 HydrophobicContact CZ-CZ 3.7Å; T179-F181 WeakPolarHBondContact CG2-O 3.37Å; T179-F181 WeakPolarHBondContact OG1-CB 3.12Å; T179-F181 PolarHBondContact OG1-N 3.02Å; F181-I183 HydrophobicContact CB-CD1 4.31Å; F181-I183 HydrophobicContact CB-CG1 4.27Å; F181-I183 PolarHBondContact O-N 3.34Å; F181-F232 HydrophobicContact CD1-CE1 4.41Å; F181-I236 HydrophobicContact CD2-CD1 4.19Å; F181-I236 HydrophobicContact CD2-CG1 3.98Å; F181-I236 HydrophobicContact CD2-CG2 4.38Å; F181-I236 HydrophobicContact CE2-CD1 3.67Å; F181-I236 HydrophobicContact CE2-CG1 3.85Å; F181-I236 HydrophobicContact CE2-CG2 3.83Å; F181-I236 HydrophobicContact CZ-CD1 3.96Å | ||
| 182 | Q | 74.8 | Confident | 79.5 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 25% | 0.248 | 37% | 0.372 | C | S | . | . | trans | -75.7 | 39.3 | -179.9 | -60.2 | -70.1 | -45.6 | 0 | 0 | 113.6 | T179 V180 H184 K185 Y186 | T179-Q182 PolarHBondContact O-NE2 3.37Å; V180-Q182 PolarHBondContact O-N 2.84Å; V180-Q182 VanDerWaalsContact O-N 3.07Å; Q182-H184 PolarHBondContact O-N 2.94Å; Q182-H184 VanDerWaalsContact O-N 3.15Å; Q182-H184 PolarHBondContact OE1-CE1 3.48Å; Q182-K185 HydrophobicContact CB-CD 4.19Å; Q182-K185 HydrophobicContact CB-CG 4.34Å; Q182-K185 WeakPolarHBondContact O-CB 3.42Å; Q182-K185 PolarHBondContact O-N 2.93Å; Q182-Y186 WeakPolarHBondContact O-CD2 3.35Å | ||
| 183 | I | 75.6 | Confident | 79 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 26% | 0.262 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -56.7 | -35.6 | -174.8 | -60.6 | 172 | 0 | 0 | 0 | 111.6 | F181 K185 Y186 L187 V229 F232 | F181-I183 HydrophobicContact CB-CD1 4.31Å; F181-I183 HydrophobicContact CB-CG1 4.27Å; F181-I183 PolarHBondContact O-N 3.34Å; I183-K185 PolarHBondContact O-N 2.85Å; I183-Y186 PolarHBondContact O-N 2.93Å; I183-L187 HydrophobicContact CG2-CD1 4Å; I183-L187 HydrophobicContact CG2-CG 4.48Å; I183-L187 PolarHBondContact O-N 2.68Å; I183-V229 HydrophobicContact CB-CG1 4.18Å; I183-V229 HydrophobicContact CD1-CG1 4.39Å; I183-V229 HydrophobicContact CG2-CG1 3.98Å; I183-V229 HydrophobicContact CG2-CG2 4.14Å; I183-F232 HydrophobicContact CD1-CD1 4.09Å; I183-F232 HydrophobicContact CD1-CE1 4.26Å |
| 184 | H | 67.8 | Low | 78.7 | Confident | 94 Ų | 94 | 66.6 Ų | 66.6 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.2 | -26.9 | 179.5 | 66.9 | -86.1 | 0 | 0 | 0 | 113.7 | Q182 Y186 L187 Y189 | Q182-H184 PolarHBondContact O-N 2.94Å; Q182-H184 VanDerWaalsContact O-N 3.15Å; Q182-H184 PolarHBondContact OE1-CE1 3.48Å; H184-Y186 VanDerWaalsContact C-N 3.27Å; H184-Y186 PolarHBondContact O-N 3.5Å; H184-L187 PolarHBondContact O-N 2.78Å; H184-Y189 HydrophobicContact CB-CE2 4.42Å |
| 185 | K | 69.1 | Low | 78.4 | Confident | 112 Ų | 112 | 67.4 Ų | 67.4 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.4 | -27.8 | 175.5 | -69.7 | -170.6 | 176 | -178.1 | 0 | 112.5 | Q182 I183 H482 | Q182-K185 HydrophobicContact CB-CD 4.19Å; Q182-K185 HydrophobicContact CB-CG 4.34Å; Q182-K185 WeakPolarHBondContact O-CB 3.42Å; Q182-K185 PolarHBondContact O-N 2.93Å; I183-K185 PolarHBondContact O-N 2.85Å; K185-H482 PolarHBondContact NZ-O 2.6Å |
| 186 | Y | 70.9 | Confident | 78.3 | Confident | 156 Ų | 156 | 63.9 Ų | 63.9 | 61% | 0.612 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -91.8 | -14 | -178.4 | -59.1 | -72.4 | 0 | 0 | 0 | 113 | Q182 I183 H184 | Q182-Y186 WeakPolarHBondContact O-CD2 3.35Å; I183-Y186 PolarHBondContact O-N 2.93Å; H184-Y186 VanDerWaalsContact C-N 3.27Å; H184-Y186 PolarHBondContact O-N 3.5Å |
| 187 | L | 73.7 | Confident | 78.4 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 25% | 0.251 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -89.1 | 121.5 | 175.5 | -72.4 | 169.6 | 0 | 0 | 0 | 109.2 | I183 H184 Y189 V225 V229 | I183-L187 HydrophobicContact CG2-CD1 4Å; I183-L187 HydrophobicContact CG2-CG 4.48Å; I183-L187 PolarHBondContact O-N 2.68Å; H184-L187 PolarHBondContact O-N 2.78Å; L187-Y189 HydrophobicContact CB-CD2 3.7Å; L187-Y189 HydrophobicContact CB-CE1 4.46Å; L187-Y189 HydrophobicContact CB-CE2 3.41Å; L187-Y189 VanDerWaalsContact CB-CE2 3.41Å; L187-Y189 HydrophobicContact CB-CG 4.37Å; L187-Y189 HydrophobicContact CD1-CE2 3.75Å; L187-Y189 VanDerWaalsContact CD1-OH 3.24Å; L187-Y189 WeakPolarHBondContact CD1-OH 3.48Å; L187-Y189 HydrophobicContact CG-CE2 4.22Å; L187-Y189 PolarHBondContact O-N 3.24Å; L187-V225 HydrophobicContact CD1-CG1 4.4Å; L187-V225 HydrophobicContact CD2-CG1 4.48Å; L187-V229 HydrophobicContact CD1-CG2 4.15Å |
| 188 | P | 77.6 | Confident | 78.6 | Confident | 69 Ų | 69 | 66.6 Ų | 66.6 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | trans | -79.8 | 53 | -173.5 | 33.8 | -36.2 | 0 | 0 | 0 | 111.1 | G190 S191 L192 | P188-G190 PolarHBondContact O-N 3.43Å; P188-S191 PolarHBondContact O-N 3.04Å; P188-S191 VanDerWaalsContact O-N 3.12Å; P188-L192 HydrophobicContact CG-CD1 3.84Å; P188-L192 HydrophobicContact CG-CG 4.22Å; P188-L192 VanDerWaalsContact O-CB 3.32Å; P188-L192 WeakPolarHBondContact O-CB 2.91Å; P188-L192 WeakPolarHBondContact O-CG 3.45Å; P188-L192 PolarHBondContact O-N 3.36Å | ||
| 189 | Y | 76.9 | Confident | 78.6 | Confident | 72 Ų | 72 | 65.6 Ų | 65.6 | 28% | 0.282 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -54.7 | -39.4 | -176.6 | -71.3 | -64.4 | 0 | 0 | 0 | 112.2 | H184 L187 G193 L222 T226 | H184-Y189 HydrophobicContact CB-CE2 4.42Å; L187-Y189 HydrophobicContact CB-CD2 3.7Å; L187-Y189 HydrophobicContact CB-CE1 4.46Å; L187-Y189 HydrophobicContact CB-CE2 3.41Å; L187-Y189 VanDerWaalsContact CB-CE2 3.41Å; L187-Y189 HydrophobicContact CB-CG 4.37Å; L187-Y189 HydrophobicContact CD1-CE2 3.75Å; L187-Y189 VanDerWaalsContact CD1-OH 3.24Å; L187-Y189 WeakPolarHBondContact CD1-OH 3.48Å; L187-Y189 HydrophobicContact CG-CE2 4.22Å; L187-Y189 PolarHBondContact O-N 3.24Å; Y189-G193 PolarHBondContact O-N 2.93Å; Y189-L222 HydrophobicContact CD1-CD1 4Å; Y189-L222 HydrophobicContact CE1-CD1 3.86Å; Y189-T226 WeakPolarHBondContact CE1-OG1 3.32Å; Y189-T226 PolarHBondContact OH-OG1 3.44Å |
| 190 | G | 76.1 | Confident | 78.5 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 63% | 0.629 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64 | -49.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | P188 G193 A194 | P188-G190 PolarHBondContact O-N 3.43Å; G190-G193 PolarHBondContact O-N 2.86Å; G190-A194 WeakPolarHBondContact O-CB 2.88Å; G190-A194 PolarHBondContact O-N 3.08Å |
| 191 | S | 81.5 | Confident | 78.6 | Confident | 85 Ų | 85 | 68.6 Ų | 68.6 | 59% | 0.594 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.6 | -39.4 | 178.2 | -47.8 | 0 | 0 | 0 | 0 | 112.1 | P188 A194 A195 | P188-S191 PolarHBondContact O-N 3.04Å; P188-S191 VanDerWaalsContact O-N 3.12Å; S191-A194 PolarHBondContact O-N 2.99Å; S191-A195 VanDerWaalsContact O-CB 3.22Å; S191-A195 WeakPolarHBondContact O-CB 3.48Å; S191-A195 PolarHBondContact O-N 3.39Å |
| 192 | L | 80 | Confident | 78.7 | Confident | 71 Ų | 71 | 70.9 Ų | 70.9 | 37% | 0.372 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 173.8 | -79.9 | 159.6 | 0 | 0 | 0 | 111 | P188 A195 L196 L222 | P188-L192 HydrophobicContact CG-CD1 3.84Å; P188-L192 HydrophobicContact CG-CG 4.22Å; P188-L192 VanDerWaalsContact O-CB 3.32Å; P188-L192 WeakPolarHBondContact O-CB 2.91Å; P188-L192 WeakPolarHBondContact O-CG 3.45Å; P188-L192 PolarHBondContact O-N 3.36Å; L192-A195 PolarHBondContact O-N 3.24Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.23Å; L192-L196 WeakPolarHBondContact O-CG 3.4Å; L192-L196 PolarHBondContact O-N 3Å; L192-L222 HydrophobicContact CD1-CD1 4.26Å |
| 193 | G | 79.8 | Confident | 79.1 | Confident | 36 Ų | 36 | 71.9 Ų | 71.9 | 37% | 0.371 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y189 G190 L196 L197 | Y189-G193 PolarHBondContact O-N 2.93Å; G190-G193 PolarHBondContact O-N 2.86Å; G193-L196 PolarHBondContact O-N 3.46Å; G193-L197 WeakPolarHBondContact O-CB 3.34Å; G193-L197 PolarHBondContact O-N 3.02Å |
| 194 | A | 83.8 | Confident | 79.5 | Confident | 52 Ų | 52 | 80.5 Ų | 80.5 | 43% | 0.43 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G190 S191 L197 S198 | G190-A194 WeakPolarHBondContact O-CB 2.88Å; G190-A194 PolarHBondContact O-N 3.08Å; S191-A194 PolarHBondContact O-N 2.99Å; A194-L197 PolarHBondContact O-N 2.81Å; A194-S198 VanDerWaalsContact O-CB 3.28Å; A194-S198 WeakPolarHBondContact O-CB 3.42Å; A194-S198 PolarHBondContact O-N 2.99Å; A194-S198 PolarHBondContact O-OG 2.81Å |
| 195 | A | 83.4 | Confident | 80.4 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 49% | 0.488 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S191 L192 S198 A199 | S191-A195 VanDerWaalsContact O-CB 3.22Å; S191-A195 WeakPolarHBondContact O-CB 3.48Å; S191-A195 PolarHBondContact O-N 3.39Å; L192-A195 PolarHBondContact O-N 3.24Å; A195-S198 PolarHBondContact O-N 3.31Å; A195-A199 WeakPolarHBondContact O-CB 3.46Å; A195-A199 PolarHBondContact O-N 2.9Å |
| 196 | L | 81.3 | Confident | 81.1 | Confident | 51 Ų | 51 | 76.8 Ų | 76.8 | 27% | 0.267 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 176.4 | -74.1 | 170.2 | 0 | 0 | 0 | 111.9 | L192 G193 A200 L219 L222 | L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 VanDerWaalsContact O-CG 3.23Å; L192-L196 WeakPolarHBondContact O-CG 3.4Å; L192-L196 PolarHBondContact O-N 3Å; G193-L196 PolarHBondContact O-N 3.46Å; L196-A200 WeakPolarHBondContact O-CB 3.44Å; L196-A200 PolarHBondContact O-N 3.24Å; L196-L219 HydrophobicContact CD1-CD2 4.05Å; L196-L222 HydrophobicContact CD1-CD2 4.2Å |
| 197 | L | 83.1 | Confident | 81.8 | Confident | 122 Ų | 122 | 75.5 Ų | 75.5 | 64% | 0.639 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.9 | -47.2 | 176.1 | -168.5 | 87.9 | 0 | 0 | 0 | 111.1 | G193 A194 A199 A200 V201 | G193-L197 WeakPolarHBondContact O-CB 3.34Å; G193-L197 PolarHBondContact O-N 3.02Å; A194-L197 PolarHBondContact O-N 2.81Å; L197-A199 PolarHBondContact O-N 3.34Å; L197-A200 WeakPolarHBondContact O-CB 3.18Å; L197-A200 PolarHBondContact O-N 2.79Å; L197-V201 WeakPolarHBondContact O-CG2 3.49Å; L197-V201 PolarHBondContact O-N 3.48Å |
| 198 | S | 84.8 | Confident | 82.3 | Confident | 64 Ų | 64 | 76.3 Ų | 76.3 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 179.6 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | A194 A195 A200 V201 L202 | A194-S198 VanDerWaalsContact O-CB 3.28Å; A194-S198 WeakPolarHBondContact O-CB 3.42Å; A194-S198 PolarHBondContact O-N 2.99Å; A194-S198 PolarHBondContact O-OG 2.81Å; A195-S198 PolarHBondContact O-N 3.31Å; S198-A200 VanDerWaalsContact C-N 3.33Å; S198-A200 PolarHBondContact O-N 3.47Å; S198-V201 PolarHBondContact O-N 3.48Å; S198-L202 WeakPolarHBondContact O-CB 3.34Å; S198-L202 VanDerWaalsContact O-CG 3.26Å; S198-L202 WeakPolarHBondContact O-CG 3.39Å; S198-L202 PolarHBondContact O-N 3.04Å |
| 199 | A | 81.8 | Confident | 82.5 | Confident | 27 Ų | 27 | 81.2 Ų | 81.2 | 22% | 0.223 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A195 L197 H203 L210 | A195-A199 WeakPolarHBondContact O-CB 3.46Å; A195-A199 PolarHBondContact O-N 2.9Å; L197-A199 PolarHBondContact O-N 3.34Å; A199-H203 VanDerWaalsContact O-CB 3.29Å; A199-H203 WeakPolarHBondContact O-CB 3.25Å; A199-H203 PolarHBondContact O-N 3.06Å; A199-L210 HydrophobicContact CB-CD1 3.77Å; A199-L210 VanDerWaalsContact O-CD1 3.28Å; A199-L210 WeakPolarHBondContact O-CD1 3.28Å |
| 200 | A | 81.3 | Confident | 82.6 | Confident | 52 Ų | 52 | 79.6 Ų | 79.6 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L196 L197 S198 H203 W204 | L196-A200 WeakPolarHBondContact O-CB 3.44Å; L196-A200 PolarHBondContact O-N 3.24Å; L197-A200 WeakPolarHBondContact O-CB 3.18Å; L197-A200 PolarHBondContact O-N 2.79Å; S198-A200 VanDerWaalsContact C-N 3.33Å; S198-A200 PolarHBondContact O-N 3.47Å; A200-H203 PolarHBondContact O-N 3.08Å; A200-W204 WeakPolarHBondContact O-CB 3.14Å; A200-W204 PolarHBondContact O-N 2.93Å |
| 201 | V | 84.6 | Confident | 83 | Confident | 83 Ų | 83 | 85 Ų | 85 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L197 S198 H203 W204 S205 | L197-V201 WeakPolarHBondContact O-CG2 3.49Å; L197-V201 PolarHBondContact O-N 3.48Å; S198-V201 PolarHBondContact O-N 3.48Å; V201-H203 VanDerWaalsContact C-N 3.25Å; V201-H203 PolarHBondContact O-N 3.07Å; V201-W204 PolarHBondContact O-N 2.86Å; V201-S205 WeakPolarHBondContact O-CB 3.25Å; V201-S205 PolarHBondContact O-N 3.5Å; V201-S205 PolarHBondContact O-OG 3.08Å |
| 202 | L | 85.1 | Confident | 82.9 | Confident | 70 Ų | 70 | 90.5 Ų | 90.5 | 37% | 0.366 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -32.4 | 176.9 | -69.2 | 173.1 | 0 | 0 | 0 | 112.3 | S198 S205 G206 L207 I208 | S198-L202 WeakPolarHBondContact O-CB 3.34Å; S198-L202 VanDerWaalsContact O-CG 3.26Å; S198-L202 WeakPolarHBondContact O-CG 3.39Å; S198-L202 PolarHBondContact O-N 3.04Å; L202-S205 WeakPolarHBondContact CA-OG 3.24Å; L202-S205 PolarHBondContact O-OG 3.44Å; L202-S205 VanDerWaalsContact O-OG 3.13Å; L202-G206 PolarHBondContact O-N 2.85Å; L202-L207 HydrophobicContact CD2-CB 4.3Å; L202-L207 HydrophobicContact CD2-CD1 3.67Å; L202-L207 PolarHBondContact O-N 3.24Å; L202-I208 HydrophobicContact CB-CD1 3.62Å; L202-I208 HydrophobicContact CB-CG1 3.7Å; L202-I208 HydrophobicContact CD1-CD1 4.29Å; L202-I208 PolarHBondContact O-N 2.01Å |
| 203 | H | 83.3 | Confident | 83 | Confident | 75 Ų | 75 | 96.3 Ų | 96.3 | 35% | 0.347 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.9 | -42.4 | 174.1 | -176.7 | 50.2 | 0 | 0 | 0 | 112.1 | A199 A200 V201 G206 I208 L210 | A199-H203 VanDerWaalsContact O-CB 3.29Å; A199-H203 WeakPolarHBondContact O-CB 3.25Å; A199-H203 PolarHBondContact O-N 3.06Å; A200-H203 PolarHBondContact O-N 3.08Å; V201-H203 VanDerWaalsContact C-N 3.25Å; V201-H203 PolarHBondContact O-N 3.07Å; H203-G206 PolarHBondContact O-N 3.26Å; H203-I208 WeakPolarHBondContact CA-O 3.31Å; H203-I208 HydrophobicContact CB-CG1 4.26Å; H203-I208 PolarHBondContact ND1-O 3.02Å; H203-L210 HydrophobicContact CB-CB 4.34Å; H203-L210 HydrophobicContact CB-CD1 3.91Å; H203-L210 HydrophobicContact CB-CG 4.23Å; H203-L210 PolarHBondContact CE1-N 2.98Å; H203-L210 PolarHBondContact ND1-N 3.01Å; H203-L210 VanDerWaalsContact ND1-N 3.15Å |
| 204 | W | 83.1 | Confident | 83.1 | Confident | 231 Ų | 231 | 99.3 Ų | 99.3 | 88% | 0.875 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.5 | -34.2 | 177.8 | -172.4 | 62 | 0 | 0 | 0 | 112.8 | A200 V201 G206 | A200-W204 WeakPolarHBondContact O-CB 3.14Å; A200-W204 PolarHBondContact O-N 2.93Å; V201-W204 PolarHBondContact O-N 2.86Å; W204-G206 PolarHBondContact O-N 3.44Å |
| 205 | S | 87.3 | Confident | 82.8 | Confident | 65 Ų | 65 | 99.1 Ų | 99.1 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -2 | 173.7 | 67.5 | 0 | 0 | 0 | 0 | 114 | V201 L202 L207 | V201-S205 WeakPolarHBondContact O-CB 3.25Å; V201-S205 PolarHBondContact O-N 3.5Å; V201-S205 PolarHBondContact O-OG 3.08Å; L202-S205 WeakPolarHBondContact CA-OG 3.24Å; L202-S205 PolarHBondContact O-OG 3.44Å; L202-S205 VanDerWaalsContact O-OG 3.13Å; S205-L207 VanDerWaalsContact C-N 3.26Å; S205-L207 PolarHBondContact O-N 3.01Å; S205-L207 WeakPolarHBondContact OG-CD1 3.45Å; S205-L207 WeakPolarHBondContact OG-CG 3.49Å |
| 206 | G | 84.3 | Confident | 82.7 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 6.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L202 H203 W204 | L202-G206 PolarHBondContact O-N 2.85Å; H203-G206 PolarHBondContact O-N 3.26Å; W204-G206 PolarHBondContact O-N 3.44Å |
| 207 | L | 84.6 | Confident | 82.9 | Confident | 128 Ų | 128 | 100 Ų | 100 | 67% | 0.67 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -74.6 | -27.3 | -179.6 | -68 | 173.5 | 0 | 0 | 0 | 112.7 | L202 S205 | L202-L207 HydrophobicContact CD2-CB 4.3Å; L202-L207 HydrophobicContact CD2-CD1 3.67Å; L202-L207 PolarHBondContact O-N 3.24Å; S205-L207 VanDerWaalsContact C-N 3.26Å; S205-L207 PolarHBondContact O-N 3.01Å; S205-L207 WeakPolarHBondContact OG-CD1 3.45Å; S205-L207 WeakPolarHBondContact OG-CG 3.49Å |
| 208 | I | 85.4 | Confident | 82.9 | Confident | 65 Ų | 65 | 98.6 Ų | 98.6 | 33% | 0.333 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -136.3 | 145.9 | 174.5 | 64.6 | 178.5 | 0 | 0 | 0 | 111.3 | L202 H203 L210 | L202-I208 HydrophobicContact CB-CD1 3.62Å; L202-I208 HydrophobicContact CB-CG1 3.7Å; L202-I208 HydrophobicContact CD1-CD1 4.29Å; L202-I208 PolarHBondContact O-N 2.01Å; H203-I208 WeakPolarHBondContact CA-O 3.31Å; H203-I208 HydrophobicContact CB-CG1 4.26Å; H203-I208 PolarHBondContact ND1-O 3.02Å; I208-L210 HydrophobicContact CD1-CD1 3.93Å; I208-L210 HydrophobicContact CD1-CD2 4.16Å; I208-L210 HydrophobicContact CD1-CG 3.86Å; I208-L210 HydrophobicContact CG1-CG 4.16Å |
| 209 | L | 82.1 | Confident | 82.8 | Confident | 172 Ų | 172 | 99.4 Ų | 99.4 | 90% | 0.901 | 51% | 0.506 | S | S | * | . | trans | -100.3 | 94.7 | 173.4 | -135 | 109.5 | 0 | 0 | 0 | 109.6 | ||||
| 210 | L | 78.4 | Confident | 83 | Confident | 39 Ų | 39 | 102 Ų | 102 | 20% | 0.204 | 52% | 0.523 | C | S | . | . | trans | -82.4 | 121.8 | 173.7 | -69.7 | 172.9 | 0 | 0 | 0 | 109.7 | A199 H203 I208 R212 I215 | A199-L210 HydrophobicContact CB-CD1 3.77Å; A199-L210 VanDerWaalsContact O-CD1 3.28Å; A199-L210 WeakPolarHBondContact O-CD1 3.28Å; H203-L210 HydrophobicContact CB-CB 4.34Å; H203-L210 HydrophobicContact CB-CD1 3.91Å; H203-L210 HydrophobicContact CB-CG 4.23Å; H203-L210 PolarHBondContact CE1-N 2.98Å; H203-L210 PolarHBondContact ND1-N 3.01Å; H203-L210 VanDerWaalsContact ND1-N 3.15Å; I208-L210 HydrophobicContact CD1-CD1 3.93Å; I208-L210 HydrophobicContact CD1-CD2 4.16Å; I208-L210 HydrophobicContact CD1-CG 3.86Å; I208-L210 HydrophobicContact CG1-CG 4.16Å; L210-R212 PolarHBondContact O-N 3.26Å; L210-R212 VanDerWaalsContact O-N 3.17Å; L210-I215 HydrophobicContact CB-CD1 3.74Å; L210-I215 HydrophobicContact CB-CG1 4.19Å; L210-I215 HydrophobicContact CD1-CD1 3.99Å; L210-I215 HydrophobicContact CD1-CG1 4.35Å | ||
| 211 | R | 83.9 | Confident | 83.3 | Confident | 174 Ų | 174 | 104.1 Ų | 104.1 | 66% | 0.657 | 53% | 0.53 | S | S | * | . | trans | -65.8 | 119.2 | 173.5 | -161.8 | 175.4 | -172.1 | -177.2 | 3.7 | 108.2 | R213 L214 | R211-R213 PolarHBondContact O-N 3.43Å; R211-L214 WeakPolarHBondContact O-CB 3.43Å; R211-L214 PolarHBondContact O-N 3.32Å | ||
| 212 | R | 79.6 | Confident | 83.2 | Confident | 201 Ų | 201 | 102.4 Ų | 102.4 | 76% | 0.758 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -46.7 | -34.8 | 179.9 | -170.4 | 176.4 | 178.6 | -173.4 | 0 | 113.9 | L210 L214 I215 L216 | L210-R212 PolarHBondContact O-N 3.26Å; L210-R212 VanDerWaalsContact O-N 3.17Å; R212-L214 PolarHBondContact O-N 3.18Å; R212-I215 PolarHBondContact O-N 3.31Å; R212-L216 HydrophobicContact CG-CD1 4.1Å; R212-L216 WeakPolarHBondContact O-CG 3.45Å; R212-L216 PolarHBondContact O-N 3.46Å; R212-L216 VanDerWaalsContact O-N 3.08Å |
| 213 | R | 82 | Confident | 83.3 | Confident | 192 Ų | 192 | 101.4 Ų | 101.4 | 73% | 0.725 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -37 | 175.8 | -65.4 | -173.5 | -178.8 | -178.4 | -0.4 | 113.6 | R211 G217 | R211-R213 PolarHBondContact O-N 3.43Å; R213-G217 PolarHBondContact O-N 3.43Å |
| 214 | L | 81.9 | Confident | 83.6 | Confident | 99 Ų | 99 | 99.6 Ų | 99.6 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.3 | -44.3 | 178.6 | -178.6 | 65.6 | 0 | 0 | 0 | 111.1 | R211 R212 G217 L218 | R211-L214 WeakPolarHBondContact O-CB 3.43Å; R211-L214 PolarHBondContact O-N 3.32Å; R212-L214 PolarHBondContact O-N 3.18Å; L214-G217 PolarHBondContact O-N 3.49Å; L214-L218 HydrophobicContact CG-CD1 4.36Å; L214-L218 WeakPolarHBondContact O-CG 3.32Å; L214-L218 PolarHBondContact O-N 3.3Å |
| 215 | I | 77.9 | Confident | 83.8 | Confident | 48 Ų | 48 | 91.4 Ų | 91.4 | 25% | 0.246 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 176.8 | -63 | 171.6 | 0 | 0 | 0 | 110.4 | L210 R212 G217 L218 L219 | L210-I215 HydrophobicContact CB-CD1 3.74Å; L210-I215 HydrophobicContact CB-CG1 4.19Å; L210-I215 HydrophobicContact CD1-CD1 3.99Å; L210-I215 HydrophobicContact CD1-CG1 4.35Å; R212-I215 PolarHBondContact O-N 3.31Å; I215-G217 VanDerWaalsContact C-N 3.27Å; I215-G217 PolarHBondContact O-N 3.09Å; I215-L218 PolarHBondContact O-N 3.06Å; I215-L219 HydrophobicContact CG2-CD1 3.91Å; I215-L219 HydrophobicContact CG2-CG 4.39Å; I215-L219 WeakPolarHBondContact O-CG 3.06Å; I215-L219 PolarHBondContact O-N 2.97Å |
| 216 | L | 81.4 | Confident | 83.7 | Confident | 93 Ų | 93 | 91.1 Ų | 91.1 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 177.5 | -71 | 170.3 | 0 | 0 | 0 | 111.8 | R212 S220 | R212-L216 HydrophobicContact CG-CD1 4.1Å; R212-L216 WeakPolarHBondContact O-CG 3.45Å; R212-L216 PolarHBondContact O-N 3.46Å; R212-L216 VanDerWaalsContact O-N 3.08Å; L216-S220 VanDerWaalsContact O-CB 3.31Å; L216-S220 WeakPolarHBondContact O-CB 3.02Å; L216-S220 PolarHBondContact O-N 3Å; L216-S220 PolarHBondContact O-OG 2.8Å |
| 217 | G | 85.2 | Confident | 84 | Confident | 35 Ų | 35 | 94 Ų | 94 | 36% | 0.361 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -50.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R213 L214 I215 L219 S220 V221 | R213-G217 PolarHBondContact O-N 3.43Å; L214-G217 PolarHBondContact O-N 3.49Å; I215-G217 VanDerWaalsContact C-N 3.27Å; I215-G217 PolarHBondContact O-N 3.09Å; G217-L219 PolarHBondContact O-N 2.82Å; G217-S220 PolarHBondContact O-N 2.9Å; G217-V221 WeakPolarHBondContact O-CG2 3.4Å; G217-V221 PolarHBondContact O-N 3.5Å |
| 218 | L | 82.7 | Confident | 84.2 | Confident | 93 Ų | 93 | 94 Ų | 94 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 179.4 | -70.9 | 171.6 | 0 | 0 | 0 | 112.5 | L214 I215 S220 V221 L222 | L214-L218 HydrophobicContact CG-CD1 4.36Å; L214-L218 WeakPolarHBondContact O-CG 3.32Å; L214-L218 PolarHBondContact O-N 3.3Å; I215-L218 PolarHBondContact O-N 3.06Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.39Å; L218-V221 PolarHBondContact O-N 2.97Å; L218-L222 WeakPolarHBondContact O-CB 3.19Å; L218-L222 PolarHBondContact O-N 2.83Å |
| 219 | L | 83 | Confident | 84.2 | Confident | 82 Ų | 82 | 91.8 Ų | 91.8 | 43% | 0.429 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 175.6 | -71.5 | 174.1 | 0 | 0 | 0 | 111.9 | L196 I215 G217 L222 A223 | L196-L219 HydrophobicContact CD1-CD2 4.05Å; I215-L219 HydrophobicContact CG2-CD1 3.91Å; I215-L219 HydrophobicContact CG2-CG 4.39Å; I215-L219 WeakPolarHBondContact O-CG 3.06Å; I215-L219 PolarHBondContact O-N 2.97Å; G217-L219 PolarHBondContact O-N 2.82Å; L219-L222 PolarHBondContact O-N 3.32Å; L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.48Å; L219-A223 PolarHBondContact O-N 2.97Å |
| 220 | S | 86.9 | Confident | 84.5 | Confident | 81 Ų | 81 | 85.9 Ų | 85.9 | 57% | 0.566 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.4 | -40.1 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | L216 G217 L218 G224 | L216-S220 VanDerWaalsContact O-CB 3.31Å; L216-S220 WeakPolarHBondContact O-CB 3.02Å; L216-S220 PolarHBondContact O-N 3Å; L216-S220 PolarHBondContact O-OG 2.8Å; G217-S220 PolarHBondContact O-N 2.9Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.39Å; S220-G224 PolarHBondContact O-N 3.34Å |
| 221 | V | 86.4 | Confident | 85 | Confident | 96 Ų | 96 | 85.9 Ų | 85.9 | 58% | 0.582 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.3 | -47.8 | 174.7 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | G217 L218 A223 G224 V225 | G217-V221 WeakPolarHBondContact O-CG2 3.4Å; G217-V221 PolarHBondContact O-N 3.5Å; L218-V221 PolarHBondContact O-N 2.97Å; V221-A223 PolarHBondContact O-N 2.94Å; V221-G224 PolarHBondContact O-N 3.49Å; V221-V225 HydrophobicContact CG1-CG2 4.43Å; V221-V225 WeakPolarHBondContact O-CG2 3.25Å; V221-V225 PolarHBondContact O-N 3.1Å |
| 222 | L | 83.7 | Confident | 85.2 | Confident | 48 Ų | 48 | 80.1 Ų | 80.1 | 25% | 0.251 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 178.3 | -176.8 | 62.9 | 0 | 0 | 0 | 111.2 | Y189 L192 L196 L218 L219 G224 V225 T226 | Y189-L222 HydrophobicContact CD1-CD1 4Å; Y189-L222 HydrophobicContact CE1-CD1 3.86Å; L192-L222 HydrophobicContact CD1-CD1 4.26Å; L196-L222 HydrophobicContact CD1-CD2 4.2Å; L218-L222 WeakPolarHBondContact O-CB 3.19Å; L218-L222 PolarHBondContact O-N 2.83Å; L219-L222 PolarHBondContact O-N 3.32Å; L222-G224 VanDerWaalsContact C-N 3.35Å; L222-G224 PolarHBondContact O-N 3.3Å; L222-V225 PolarHBondContact O-N 2.82Å; L222-T226 PolarHBondContact O-N 2.73Å; L222-T226 PolarHBondContact O-OG1 3.33Å; L222-T226 VanDerWaalsContact O-OG1 3.08Å |
| 223 | A | 86.6 | Confident | 85.5 | Confident | 48 Ų | 48 | 72.9 Ų | 72.9 | 40% | 0.397 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L219 V221 T226 I227 | L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.48Å; L219-A223 PolarHBondContact O-N 2.97Å; V221-A223 PolarHBondContact O-N 2.94Å; A223-T226 PolarHBondContact O-N 2.69Å; A223-I227 WeakPolarHBondContact O-CB 3.48Å; A223-I227 WeakPolarHBondContact O-CD1 3.35Å; A223-I227 WeakPolarHBondContact O-CG1 3.06Å; A223-I227 PolarHBondContact O-N 2.64Å |
| 224 | G | 89.9 | Confident | 85.8 | Confident | 38 Ų | 38 | 71.7 Ų | 71.7 | 39% | 0.392 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S220 V221 L222 I227 L228 | S220-G224 PolarHBondContact O-N 3.34Å; V221-G224 PolarHBondContact O-N 3.49Å; L222-G224 VanDerWaalsContact C-N 3.35Å; L222-G224 PolarHBondContact O-N 3.3Å; G224-I227 PolarHBondContact O-N 2.93Å; G224-L228 WeakPolarHBondContact O-CB 3.45Å; G224-L228 PolarHBondContact O-N 3.26Å |
| 225 | V | 86.3 | Confident | 86.3 | Confident | 59 Ų | 59 | 69.7 Ų | 69.7 | 36% | 0.358 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 111 | L187 V221 L222 I227 L228 V229 | L187-V225 HydrophobicContact CD1-CG1 4.4Å; L187-V225 HydrophobicContact CD2-CG1 4.48Å; V221-V225 HydrophobicContact CG1-CG2 4.43Å; V221-V225 WeakPolarHBondContact O-CG2 3.25Å; V221-V225 PolarHBondContact O-N 3.1Å; L222-V225 PolarHBondContact O-N 2.82Å; V225-I227 PolarHBondContact O-N 2.75Å; V225-L228 PolarHBondContact O-N 3.04Å; V225-V229 HydrophobicContact CG1-CG2 4.34Å; V225-V229 WeakPolarHBondContact O-CG2 3.31Å; V225-V229 PolarHBondContact O-N 3.42Å |
| 226 | T | 84.9 | Confident | 86.9 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 36% | 0.362 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 178.3 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | Y189 L222 A223 L228 V229 A230 | Y189-T226 WeakPolarHBondContact CE1-OG1 3.32Å; Y189-T226 PolarHBondContact OH-OG1 3.44Å; L222-T226 PolarHBondContact O-N 2.73Å; L222-T226 PolarHBondContact O-OG1 3.33Å; L222-T226 VanDerWaalsContact O-OG1 3.08Å; A223-T226 PolarHBondContact O-N 2.69Å; T226-L228 VanDerWaalsContact C-N 3.35Å; T226-V229 PolarHBondContact O-N 2.77Å; T226-A230 VanDerWaalsContact O-CB 3.26Å; T226-A230 WeakPolarHBondContact O-CB 3.46Å; T226-A230 PolarHBondContact O-N 3.27Å |
| 227 | I | 90.3 | Very high | 87.5 | Confident | 125 Ų | 125 | 64.2 Ų | 64.2 | 64% | 0.641 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 175.9 | -70.4 | 165.1 | 0 | 0 | 0 | 110.6 | A223 G224 V225 A230 G231 | A223-I227 WeakPolarHBondContact O-CB 3.48Å; A223-I227 WeakPolarHBondContact O-CD1 3.35Å; A223-I227 WeakPolarHBondContact O-CG1 3.06Å; A223-I227 PolarHBondContact O-N 2.64Å; G224-I227 PolarHBondContact O-N 2.93Å; V225-I227 PolarHBondContact O-N 2.75Å; I227-A230 PolarHBondContact O-N 2.87Å; I227-G231 PolarHBondContact O-N 3.07Å |
| 228 | L | 89.5 | Confident | 87.8 | Confident | 128 Ų | 128 | 65.7 Ų | 65.7 | 67% | 0.67 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.5 | -45.1 | 179.5 | -176.2 | 140.7 | 0 | 0 | 0 | 111.9 | G224 V225 T226 G231 F232 | G224-L228 WeakPolarHBondContact O-CB 3.45Å; G224-L228 PolarHBondContact O-N 3.26Å; V225-L228 PolarHBondContact O-N 3.04Å; T226-L228 VanDerWaalsContact C-N 3.35Å; L228-G231 PolarHBondContact O-N 2.87Å; L228-F232 WeakPolarHBondContact O-CB 3.47Å; L228-F232 PolarHBondContact O-N 3.41Å |
| 229 | V | 86.3 | Confident | 88.3 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 11% | 0.109 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 177.1 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | I183 L187 V225 T226 F232 I233 | I183-V229 HydrophobicContact CB-CG1 4.18Å; I183-V229 HydrophobicContact CD1-CG1 4.39Å; I183-V229 HydrophobicContact CG2-CG1 3.98Å; I183-V229 HydrophobicContact CG2-CG2 4.14Å; L187-V229 HydrophobicContact CD1-CG2 4.15Å; V225-V229 HydrophobicContact CG1-CG2 4.34Å; V225-V229 WeakPolarHBondContact O-CG2 3.31Å; V225-V229 PolarHBondContact O-N 3.42Å; T226-V229 PolarHBondContact O-N 2.77Å; V229-F232 PolarHBondContact O-N 2.73Å; V229-I233 HydrophobicContact CG1-CD1 4.04Å; V229-I233 WeakPolarHBondContact O-CG1 3.48Å; V229-I233 PolarHBondContact O-N 3.15Å |
| 230 | A | 86.9 | Confident | 88.9 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | T226 I227 I233 K234 | T226-A230 VanDerWaalsContact O-CB 3.26Å; T226-A230 WeakPolarHBondContact O-CB 3.46Å; T226-A230 PolarHBondContact O-N 3.27Å; I227-A230 PolarHBondContact O-N 2.87Å; A230-I233 PolarHBondContact O-N 2.85Å; A230-K234 WeakPolarHBondContact O-CG 3.49Å; A230-K234 PolarHBondContact O-N 3.11Å |
| 231 | G | 89.5 | Confident | 89.3 | Confident | 39 Ų | 39 | 54 Ų | 54 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | I227 L228 K234 I235 | I227-G231 PolarHBondContact O-N 3.07Å; L228-G231 PolarHBondContact O-N 2.87Å; G231-K234 PolarHBondContact O-N 3.49Å; G231-I235 PolarHBondContact O-N 3.25Å |
| 232 | F | 87.8 | Confident | 89.7 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 24% | 0.237 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -50.1 | 175 | -179.2 | -102.5 | 0 | 0 | 0 | 111.7 | F107 F181 I183 L228 V229 K234 I235 I236 | F107-F232 AromaticContact CE1-CZ 3.86Å; F107-F232 HydrophobicContact CE1-CZ 3.86Å; F107-F232 AromaticContact CZ-CZ 3.93Å; F107-F232 HydrophobicContact CZ-CZ 3.93Å; F181-F232 HydrophobicContact CD1-CE1 4.41Å; I183-F232 HydrophobicContact CD1-CD1 4.09Å; I183-F232 HydrophobicContact CD1-CE1 4.26Å; L228-F232 WeakPolarHBondContact O-CB 3.47Å; L228-F232 PolarHBondContact O-N 3.41Å; V229-F232 PolarHBondContact O-N 2.73Å; F232-K234 VanDerWaalsContact C-N 3.25Å; F232-K234 PolarHBondContact O-N 3.12Å; F232-I235 VanDerWaalsContact O-CG2 3.28Å; F232-I235 WeakPolarHBondContact O-CG2 3.34Å; F232-I235 PolarHBondContact O-N 2.72Å; F232-I236 HydrophobicContact CD1-CD1 4.37Å; F232-I236 HydrophobicContact CD1-CG1 4.4Å; F232-I236 HydrophobicContact CE1-CD1 3.7Å; F232-I236 HydrophobicContact CE1-CG1 4.14Å; F232-I236 HydrophobicContact CE2-CD1 4.12Å; F232-I236 HydrophobicContact CZ-CD1 3.57Å; F232-I236 HydrophobicContact CZ-CG1 4.44Å; F232-I236 WeakPolarHBondContact O-CG1 3.42Å; F232-I236 PolarHBondContact O-N 3.01Å; F232-I236 VanDerWaalsContact O-N 3.13Å |
| 233 | I | 87.4 | Confident | 90.4 | Very high | 48 Ų | 48 | 47.4 Ų | 47.4 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.4 | -38.9 | 177.7 | -67 | 165.4 | 0 | 0 | 0 | 111 | T179 V229 A230 I235 | T179-I233 HydrophobicContact CG2-CD1 4.31Å; T179-I233 HydrophobicContact CG2-CG2 4.29Å; V229-I233 HydrophobicContact CG1-CD1 4.04Å; V229-I233 WeakPolarHBondContact O-CG1 3.48Å; V229-I233 PolarHBondContact O-N 3.15Å; A230-I233 PolarHBondContact O-N 2.85Å; I233-I235 VanDerWaalsContact C-N 3.31Å; I233-I235 PolarHBondContact O-N 2.81Å |
| 234 | K | 88.3 | Confident | 90.9 | Very high | 168 Ų | 168 | 45.2 Ų | 45.2 | 73% | 0.73 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.8 | -26.6 | 177.1 | -77.4 | -170.9 | 176 | -170.9 | 0 | 114.2 | A230 G231 F232 | A230-K234 WeakPolarHBondContact O-CG 3.49Å; A230-K234 PolarHBondContact O-N 3.11Å; G231-K234 PolarHBondContact O-N 3.49Å; F232-K234 VanDerWaalsContact C-N 3.25Å; F232-K234 PolarHBondContact O-N 3.12Å |
| 235 | I | 90.8 | Very high | 91.3 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -88.6 | -21.8 | -179.7 | -153.7 | 166.9 | 0 | 0 | 0 | 112.9 | G231 F232 I233 P237 Y238 L239 L568 | G231-I235 PolarHBondContact O-N 3.25Å; F232-I235 VanDerWaalsContact O-CG2 3.28Å; F232-I235 WeakPolarHBondContact O-CG2 3.34Å; F232-I235 PolarHBondContact O-N 2.72Å; I233-I235 VanDerWaalsContact C-N 3.31Å; I233-I235 PolarHBondContact O-N 2.81Å; I235-P237 VanDerWaalsContact C-N 3.32Å; I235-P237 VanDerWaalsContact O-N 3.15Å; I235-Y238 WeakPolarHBondContact O-CB 3.45Å; I235-Y238 PolarHBondContact O-N 2.89Å; I235-L239 HydrophobicContact CG1-CD2 4.46Å; I235-L239 HydrophobicContact CG1-CG 4.3Å; I235-L239 HydrophobicContact CG2-CD1 3.82Å; I235-L239 HydrophobicContact CG2-CG 4.31Å; I235-L239 PolarHBondContact O-N 2.78Å; I235-L568 HydrophobicContact CD1-CD2 3.84Å; I235-L568 HydrophobicContact CG1-CD2 4.31Å |
| 236 | I | 91.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -45.5 | -46.6 | -179.2 | -74.5 | -59.8 | 0 | 0 | 0 | 113.9 | F107 D172 F181 F232 Y238 L239 N240 | F107-I236 HydrophobicContact CE1-CD1 3.88Å; D172-I236 HydrophobicContact CB-CB 4.44Å; D172-I236 HydrophobicContact CB-CG2 3.51Å; F181-I236 HydrophobicContact CD2-CD1 4.19Å; F181-I236 HydrophobicContact CD2-CG1 3.98Å; F181-I236 HydrophobicContact CD2-CG2 4.38Å; F181-I236 HydrophobicContact CE2-CD1 3.67Å; F181-I236 HydrophobicContact CE2-CG1 3.85Å; F181-I236 HydrophobicContact CE2-CG2 3.83Å; F181-I236 HydrophobicContact CZ-CD1 3.96Å; F232-I236 HydrophobicContact CD1-CD1 4.37Å; F232-I236 HydrophobicContact CD1-CG1 4.4Å; F232-I236 HydrophobicContact CE1-CD1 3.7Å; F232-I236 HydrophobicContact CE1-CG1 4.14Å; F232-I236 HydrophobicContact CE2-CD1 4.12Å; F232-I236 HydrophobicContact CZ-CD1 3.57Å; F232-I236 HydrophobicContact CZ-CG1 4.44Å; F232-I236 WeakPolarHBondContact O-CG1 3.42Å; F232-I236 PolarHBondContact O-N 3.01Å; F232-I236 VanDerWaalsContact O-N 3.13Å; I236-Y238 PolarHBondContact O-N 2.69Å; I236-L239 PolarHBondContact O-N 3.22Å; I236-N240 HydrophobicContact CG2-CB 4.46Å; I236-N240 PolarHBondContact O-N 2.93Å |
| 237 | P | 92.9 | Very high | 92.3 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -38.2 | -176.5 | -22.9 | 34.4 | 0 | 0 | 0 | 112.2 | D172 I235 L239 C241 P253 | D172-P237 VanDerWaalsContact O-CG 3.25Å; D172-P237 WeakPolarHBondContact O-CG 3.34Å; I235-P237 VanDerWaalsContact C-N 3.32Å; I235-P237 VanDerWaalsContact O-N 3.15Å; P237-L239 VanDerWaalsContact C-N 3.29Å; P237-L239 PolarHBondContact O-N 3.5Å; P237-C241 VanDerWaalsContact CA-SG 3.54Å; P237-C241 WeakPolarHBondContact O-CB 3.47Å; P237-C241 PolarHBondContact O-N 3.28Å; P237-P253 HydrophobicContact CB-CB 4.45Å |
| 238 | Y | 92.6 | Very high | 92.6 | Very high | 65 Ų | 65 | 46.5 Ų | 46.5 | 26% | 0.255 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.2 | -26.4 | 176.9 | -58.2 | -81 | 0 | 0 | 0 | 112.9 | I235 I236 Q252 P253 L568 Q570 | I235-Y238 WeakPolarHBondContact O-CB 3.45Å; I235-Y238 PolarHBondContact O-N 2.89Å; I236-Y238 PolarHBondContact O-N 2.69Å; Y238-Q252 WeakPolarHBondContact O-CG 3.4Å; Y238-Q252 PolarHBondContact O-NE2 3.12Å; Y238-P253 HydrophobicContact CD1-CG 4.2Å; Y238-P253 HydrophobicContact CE1-CG 4.01Å; Y238-L568 WeakPolarHBondContact CB-O 3.26Å; Y238-L568 HydrophobicContact CD1-CB 4.39Å; Y238-Q570 HydrophobicContact CD1-CG 3.64Å; Y238-Q570 HydrophobicContact CE1-CG 3.62Å |
| 239 | L | 92.7 | Very high | 92.9 | Very high | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -88.4 | -34.8 | 179.7 | -58.4 | -175.2 | 0 | 0 | 0 | 112.8 | N108 I235 I236 P237 I242 W554 Q559 | N108-L239 PolarHBondContact ND2-O 2.51Å; I235-L239 HydrophobicContact CG1-CD2 4.46Å; I235-L239 HydrophobicContact CG1-CG 4.3Å; I235-L239 HydrophobicContact CG2-CD1 3.82Å; I235-L239 HydrophobicContact CG2-CG 4.31Å; I235-L239 PolarHBondContact O-N 2.78Å; I236-L239 PolarHBondContact O-N 3.22Å; P237-L239 VanDerWaalsContact C-N 3.29Å; P237-L239 PolarHBondContact O-N 3.5Å; L239-I242 WeakPolarHBondContact O-CD1 3.39Å; L239-W554 HydrophobicContact CD1-CZ2 4.11Å; L239-Q559 HydrophobicContact CD2-CG 4Å; L239-Q559 PolarHBondContact O-NE2 3.48Å |
| 240 | N | 95.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -113.4 | -27.1 | -167 | -78.7 | -16.5 | 0 | 0 | 0 | 114.8 | I106 F107 N108 L167 L170 I236 I242 | I106-N240 PolarHBondContact O-ND2 3.3Å; F107-N240 WeakPolarHBondContact CA-OD1 3.46Å; N108-N240 PolarHBondContact N-OD1 2.65Å; N108-N240 VanDerWaalsContact N-OD1 3.11Å; N108-N240 VanDerWaalsContact ND2-C 3.32Å; N108-N240 VanDerWaalsContact ND2-CA 3.3Å; N108-N240 WeakPolarHBondContact ND2-CA 3.21Å; N108-N240 PolarHBondContact ND2-O 2.75Å; L167-N240 HydrophobicContact CD2-CB 4.07Å; L170-N240 HydrophobicContact CD1-CB 4.27Å; I236-N240 HydrophobicContact CG2-CB 4.46Å; I236-N240 PolarHBondContact O-N 2.93Å; N240-I242 VanDerWaalsContact C-N 3.34Å; N240-I242 PolarHBondContact O-N 3.13Å; N240-I242 VanDerWaalsContact O-N 3.09Å |
| 241 | C | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -92 | 70.8 | -173.9 | -49.2 | 0 | 0 | 0 | 0 | 110 | C173 P237 P253 F254 | C173-C241 WeakPolarHBondContact CA-SG 3.32Å; C173-C241 HydrophobicContact CB-CB 3.78Å; C173-C241 WeakPolarHBondContact CB-SG 3.29Å; C173-C241 WeakPolarHBondContact SG-CB 3.25Å; C173-C241 CovalentContact SG-SG 2.03Å; C173-C241 PolarHBondContact SG-SG 2.96Å; P237-C241 VanDerWaalsContact CA-SG 3.54Å; P237-C241 WeakPolarHBondContact O-CB 3.47Å; P237-C241 PolarHBondContact O-N 3.28Å; C241-P253 HydrophobicContact CB-CB 4.15Å; C241-P253 CarbonylContact O-C 3.58Å; C241-P253 WeakPolarHBondContact O-CA 3.35Å; C241-F254 HydrophobicContact CB-CD1 4.02Å; C241-F254 HydrophobicContact CB-CE1 3.71Å; C241-F254 HydrophobicContact CB-CE2 4.33Å; C241-F254 HydrophobicContact CB-CG 4.48Å; C241-F254 HydrophobicContact CB-CZ 3.87Å; C241-F254 VanDerWaalsContact O-CD1 3.31Å; C241-F254 WeakPolarHBondContact O-CD1 2.94Å; C241-F254 PolarHBondContact O-N 2.87Å | ||
| 242 | I | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -112.8 | 128.7 | -171.9 | -48.4 | -178.7 | 0 | 0 | 0 | 110.2 | N108 I165 P166 L239 N240 F244 I249 Q252 P560 | N108-I242 WeakPolarHBondContact ND2-CD1 3.47Å; I165-I242 WeakPolarHBondContact CG2-O 3.36Å; P166-I242 WeakPolarHBondContact CD-O 3.44Å; L239-I242 WeakPolarHBondContact O-CD1 3.39Å; N240-I242 VanDerWaalsContact C-N 3.34Å; N240-I242 PolarHBondContact O-N 3.13Å; N240-I242 VanDerWaalsContact O-N 3.09Å; I242-F244 HydrophobicContact CB-CD2 4.41Å; I242-F244 HydrophobicContact CB-CE2 4.1Å; I242-F244 HydrophobicContact CG2-CD2 3.77Å; I242-F244 HydrophobicContact CG2-CE2 3.44Å; I242-F244 VanDerWaalsContact CG2-CE2 3.44Å; I242-F244 HydrophobicContact CG2-CZ 4.45Å; I242-I249 HydrophobicContact CG2-CB 4.14Å; I242-I249 HydrophobicContact CG2-CD1 4.05Å; I242-I249 HydrophobicContact CG2-CG1 3.77Å; I242-I249 HydrophobicContact CG2-CG2 3.41Å; I242-I249 VanDerWaalsContact CG2-CG2 3.41Å; I242-Q252 VanDerWaalsContact CD1-NE2 3.3Å; I242-Q252 HydrophobicContact CG1-CG 4.01Å; I242-Q252 HydrophobicContact CG2-CB 4.49Å; I242-P560 HydrophobicContact CD1-CB 4.07Å; I242-P560 HydrophobicContact CD1-CG 3.45Å; I242-P560 VanDerWaalsContact CD1-CG 3.45Å | ||
| 243 | L | 97.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.1 | 173.1 | -174.7 | 68.7 | 0 | 0 | 0 | 109.7 | F163 I165 V250 E251 F254 L259 | F163-L243 HydrophobicContact CE1-CD1 4.43Å; F163-L243 HydrophobicContact CE2-CD2 4.13Å; F163-L243 HydrophobicContact CE2-CG 4.4Å; F163-L243 HydrophobicContact CZ-CD1 4.22Å; F163-L243 HydrophobicContact CZ-CD2 3.93Å; F163-L243 HydrophobicContact CZ-CG 4.41Å; I165-L243 HydrophobicContact CG2-CD1 4.14Å; L243-V250 HydrophobicContact CB-CG2 4.11Å; L243-V250 HydrophobicContact CD2-CG2 3.85Å; L243-V250 HydrophobicContact CG-CG2 3.7Å; L243-V250 WeakPolarHBondContact O-CG2 3.03Å; L243-V250 PolarHBondContact O-N 3.07Å; L243-E251 HydrophobicContact CB-CB 3.86Å; L243-E251 HydrophobicContact CD2-CB 4.06Å; L243-E251 PolarHBondContact N-O 3.14Å; L243-E251 PolarHBondContact O-N 3.44Å; L243-F254 HydrophobicContact CB-CB 3.84Å; L243-F254 HydrophobicContact CB-CD1 4.41Å; L243-L259 HydrophobicContact CD1-CD1 4.14Å; L243-L259 HydrophobicContact CD2-CD1 4.26Å |
| 244 | F | 97.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147.2 | 179.2 | -85.4 | -109 | 0 | 0 | 0 | 111.1 | L142 H150 F162 F163 G164 P166 I242 S248 I249 P560 | L142-F244 HydrophobicContact CD1-CZ 4.39Å; L142-F244 HydrophobicContact CD2-CE2 4.41Å; L142-F244 HydrophobicContact CD2-CZ 4.02Å; H150-F244 AromaticContact NE2-CE1 3.83Å; F162-F244 HydrophobicContact CD1-CB 3.95Å; F162-F244 HydrophobicContact CE1-CB 3.59Å; F162-F244 HydrophobicContact CE1-CG 4.33Å; F163-F244 WeakPolarHBondContact CA-O 3.48Å; G164-F244 PolarHBondContact N-O 3.36Å; G164-F244 PolarHBondContact O-N 3.03Å; P166-F244 HydrophobicContact CG-CD2 3.87Å; P166-F244 HydrophobicContact CG-CE2 3.79Å; I242-F244 HydrophobicContact CB-CD2 4.41Å; I242-F244 HydrophobicContact CB-CE2 4.1Å; I242-F244 HydrophobicContact CG2-CD2 3.77Å; I242-F244 HydrophobicContact CG2-CE2 3.44Å; I242-F244 VanDerWaalsContact CG2-CE2 3.44Å; I242-F244 HydrophobicContact CG2-CZ 4.45Å; F244-S248 CarbonylContact C-O 3.56Å; F244-S248 WeakPolarHBondContact CA-O 3.48Å; F244-I249 HydrophobicContact CD2-CG1 4.36Å; F244-I249 HydrophobicContact CE1-CG1 3.97Å; F244-I249 HydrophobicContact CE2-CG1 3.79Å; F244-I249 HydrophobicContact CZ-CD1 4.24Å; F244-I249 HydrophobicContact CZ-CG1 3.57Å; F244-P560 HydrophobicContact CZ-CB 4.28Å |
| 245 | R | 97.7 | Very high | 94.8 | Very high | 86 Ų | 86 | 30.3 Ų | 30.3 | 33% | 0.325 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 116.2 | 156.6 | -173.3 | -173.8 | -64.8 | -96.2 | 1.3 | 107.1 | Y161 F162 F163 H247 S248 V250 E266 | Y161-R245 HydrophobicContact CE2-CG 4.15Å; Y161-R245 PolarHBondContact OH-NH1 3.46Å; F162-R245 CarbonylContact O-C 3.53Å; F162-R245 WeakPolarHBondContact O-CA 3.27Å; F163-R245 HydrophobicContact CD2-CB 4.4Å; R245-H247 PolarHBondContact O-N 2.9Å; R245-S248 PolarHBondContact N-O 2.98Å; R245-S248 PolarHBondContact O-N 3Å; R245-V250 HydrophobicContact CB-CG1 3.52Å; R245-V250 HydrophobicContact CB-CG2 4.45Å; R245-E266 IonicContact CZ-OE1 2.93Å; R245-E266 IonicContact NH1-OE1 3.68Å; R245-E266 PolarHBondContact NH1-OE1 2.75Å; R245-E266 IonicContact NH1-OE2 2.65Å; R245-E266 PolarHBondContact NH1-OE2 3.22Å; R245-E266 IonicContact NH2-OE1 3.83Å; R245-E266 PolarHBondContact NH2-OE1 3.2Å |
| 246 | D | 97.1 | Very high | 94.9 | Very high | 56 Ų | 56 | 28.1 Ų | 28.1 | 30% | 0.299 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | -120.7 | -167.4 | -57.5 | -48.5 | 0 | 0 | 0 | 110.4 | H153 Y161 F162 | H153-D246 PolarHBondContact CE1-O 3.04Å; H153-D246 PolarHBondContact NE2-O 3.4Å; Y161-D246 VanDerWaalsContact CD2-OD1 3.28Å; Y161-D246 WeakPolarHBondContact CD2-OD1 2.96Å; F162-D246 PolarHBondContact N-OD1 3.4Å; F162-D246 VanDerWaalsContact N-OD1 3.12Å; F162-D246 PolarHBondContact O-N 2.95Å |
| 247 | H | 96.1 | Very high | 94.6 | Very high | 96 Ų | 96 | 33.2 Ų | 33.2 | 44% | 0.444 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 4.2 | -179.9 | -56 | 86.5 | 0 | 0 | 0 | 113.3 | H150 H153 S155 R245 | H150-H247 AromaticContact CG-CD2 3.9Å; H153-H247 AromaticContact ND1-CD2 3.93Å; H153-H247 AromaticContact ND1-NE2 3.76Å; S155-H247 PolarHBondContact OG-NE2 3.29Å; R245-H247 PolarHBondContact O-N 2.9Å |
| 248 | S | 95.6 | Very high | 94.6 | Very high | 71 Ų | 71 | 35.2 Ų | 35.2 | 50% | 0.497 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.6 | -175.5 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | F244 R245 V250 | F244-S248 CarbonylContact C-O 3.56Å; F244-S248 WeakPolarHBondContact CA-O 3.48Å; R245-S248 PolarHBondContact N-O 2.98Å; R245-S248 PolarHBondContact O-N 3Å; S248-V250 PolarHBondContact O-N 3.09Å |
| 249 | I | 96.2 | Very high | 94.7 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 11% | 0.113 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 121 | 170.3 | -58.2 | 169.3 | 0 | 0 | 0 | 108.4 | I242 F244 Q252 P560 C562 | I242-I249 HydrophobicContact CG2-CB 4.14Å; I242-I249 HydrophobicContact CG2-CD1 4.05Å; I242-I249 HydrophobicContact CG2-CG1 3.77Å; I242-I249 HydrophobicContact CG2-CG2 3.41Å; I242-I249 VanDerWaalsContact CG2-CG2 3.41Å; F244-I249 HydrophobicContact CD2-CG1 4.36Å; F244-I249 HydrophobicContact CE1-CG1 3.97Å; F244-I249 HydrophobicContact CE2-CG1 3.79Å; F244-I249 HydrophobicContact CZ-CD1 4.24Å; F244-I249 HydrophobicContact CZ-CG1 3.57Å; I249-Q252 HydrophobicContact CG2-CB 3.92Å; I249-P560 HydrophobicContact CD1-CB 3.87Å; I249-C562 HydrophobicContact CB-CB 3.76Å; I249-C562 HydrophobicContact CD1-CB 4.08Å; I249-C562 HydrophobicContact CG2-CB 3.64Å |
| 250 | V | 95.4 | Very high | 95 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 11% | 0.109 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -26.8 | 179.6 | -65.4 | 0 | 0 | 0 | 0 | 112.6 | L243 R245 S248 Q573 | L243-V250 HydrophobicContact CB-CG2 4.11Å; L243-V250 HydrophobicContact CD2-CG2 3.85Å; L243-V250 HydrophobicContact CG-CG2 3.7Å; L243-V250 WeakPolarHBondContact O-CG2 3.03Å; L243-V250 PolarHBondContact O-N 3.07Å; R245-V250 HydrophobicContact CB-CG1 3.52Å; R245-V250 HydrophobicContact CB-CG2 4.45Å; S248-V250 PolarHBondContact O-N 3.09Å; V250-Q573 PolarHBondContact O-N 3.2Å |
| 251 | E | 95.4 | Very high | 95.1 | Very high | 14 Ų | 14 | 32.5 Ų | 32.5 | 7% | 0.065 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 127.1 | 179.2 | -147.6 | -178.9 | 148.7 | 0 | 0 | 110.6 | L243 F254 T255 K262 Q572 | L243-E251 HydrophobicContact CB-CB 3.86Å; L243-E251 HydrophobicContact CD2-CB 4.06Å; L243-E251 PolarHBondContact N-O 3.14Å; L243-E251 PolarHBondContact O-N 3.44Å; E251-F254 HydrophobicContact CB-CB 4.23Å; E251-F254 HydrophobicContact CG-CB 4.45Å; E251-T255 VanDerWaalsContact OE1-CB 3.25Å; E251-T255 WeakPolarHBondContact OE1-CB 3.25Å; E251-T255 PolarHBondContact OE1-N 3.3Å; E251-T255 PolarHBondContact OE1-OG1 2.74Å; E251-K262 IonicContact OE2-NZ 2.7Å; E251-K262 PolarHBondContact OE2-NZ 2.94Å; E251-K262 VanDerWaalsContact OE2-NZ 3.16Å; E251-Q572 HydrophobicContact CG-CG 4.18Å |
| 252 | Q | 95.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 115.9 | 178.7 | -171.9 | 171.5 | 12.3 | 0 | 0 | 110.3 | Y238 I242 I249 P560 C562 C569 Q570 C571 | Y238-Q252 WeakPolarHBondContact O-CG 3.4Å; Y238-Q252 PolarHBondContact O-NE2 3.12Å; I242-Q252 VanDerWaalsContact CD1-NE2 3.3Å; I242-Q252 HydrophobicContact CG1-CG 4.01Å; I242-Q252 HydrophobicContact CG2-CB 4.49Å; I249-Q252 HydrophobicContact CG2-CB 3.92Å; Q252-P560 PolarHBondContact NE2-O 2.93Å; Q252-C562 PolarHBondContact OE1-SG 2.86Å; Q252-C569 WeakPolarHBondContact CB-O 3.44Å; Q252-C569 HydrophobicContact CG-CB 4.49Å; Q252-C569 WeakPolarHBondContact CG-O 3.36Å; Q252-C569 PolarHBondContact OE1-O 3.46Å; Q252-C569 VanDerWaalsContact OE1-O 3.09Å; Q252-Q570 VanDerWaalsContact O-CA 3.28Å; Q252-Q570 WeakPolarHBondContact O-CA 3.4Å; Q252-C571 PolarHBondContact N-O 3.43Å; Q252-C571 PolarHBondContact O-N 3.37Å |
| 253 | P | 94.6 | Very high | 95.3 | Very high | 40 Ų | 40 | 36.4 Ų | 36.4 | 26% | 0.26 | 19% | 0.186 | S | C | . | . | S | Bend | cis | -64.8 | 149.9 | -15 | 31.5 | -34.1 | 0 | 0 | 0 | 110.8 | P237 Y238 C241 | P237-P253 HydrophobicContact CB-CB 4.45Å; Y238-P253 HydrophobicContact CD1-CG 4.2Å; Y238-P253 HydrophobicContact CE1-CG 4.01Å; C241-P253 HydrophobicContact CB-CB 4.15Å; C241-P253 CarbonylContact O-C 3.58Å; C241-P253 WeakPolarHBondContact O-CA 3.35Å |
| 254 | F | 94.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 153 | 173.2 | 64.2 | -114.3 | 0 | 0 | 0 | 112.3 | I165 C173 C241 L243 E251 L256 L259 | I165-F254 HydrophobicContact CB-CE1 4.42Å; I165-F254 HydrophobicContact CG2-CD1 3.8Å; I165-F254 HydrophobicContact CG2-CE1 3.57Å; I165-F254 HydrophobicContact CG2-CZ 4.37Å; C173-F254 HydrophobicContact CB-CE2 3.81Å; C173-F254 HydrophobicContact CB-CZ 3.79Å; C241-F254 HydrophobicContact CB-CD1 4.02Å; C241-F254 HydrophobicContact CB-CE1 3.71Å; C241-F254 HydrophobicContact CB-CE2 4.33Å; C241-F254 HydrophobicContact CB-CG 4.48Å; C241-F254 HydrophobicContact CB-CZ 3.87Å; C241-F254 VanDerWaalsContact O-CD1 3.31Å; C241-F254 WeakPolarHBondContact O-CD1 2.94Å; C241-F254 PolarHBondContact O-N 2.87Å; L243-F254 HydrophobicContact CB-CB 3.84Å; L243-F254 HydrophobicContact CB-CD1 4.41Å; E251-F254 HydrophobicContact CB-CB 4.23Å; E251-F254 HydrophobicContact CG-CB 4.45Å; F254-L256 HydrophobicContact CD2-CD2 3.81Å; F254-L256 HydrophobicContact CD2-CG 4.12Å; F254-L256 HydrophobicContact CE2-CD2 3.28Å; F254-L256 HydrophobicContact CE2-CG 3.73Å; F254-L256 HydrophobicContact CZ-CD2 4.26Å; F254-L259 HydrophobicContact CD2-CD2 4.28Å |
| 255 | T | 92 | Very high | 95.4 | Very high | 59 Ų | 59 | 42.7 Ų | 42.7 | 36% | 0.362 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -98 | 123.8 | 171.9 | -40.9 | 0 | 0 | 0 | 0 | 108.9 | E251 E257 | E251-T255 VanDerWaalsContact OE1-CB 3.25Å; E251-T255 WeakPolarHBondContact OE1-CB 3.25Å; E251-T255 PolarHBondContact OE1-N 3.3Å; E251-T255 PolarHBondContact OE1-OG1 2.74Å; T255-E257 VanDerWaalsContact C-N 3.28Å; T255-E257 HydrophobicContact CG2-CB 4.05Å; T255-E257 PolarHBondContact O-N 3.11Å |
| 256 | L | 91.9 | Very high | 95.4 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | trans | -71.5 | -25.1 | 177.7 | -71.2 | 175.8 | 0 | 0 | 0 | 112.6 | Q174 F254 N258 L259 L286 A291 F293 | Q174-L256 HydrophobicContact CB-CD1 3.87Å; Q174-L256 HydrophobicContact CG-CD1 4.23Å; F254-L256 HydrophobicContact CD2-CD2 3.81Å; F254-L256 HydrophobicContact CD2-CG 4.12Å; F254-L256 HydrophobicContact CE2-CD2 3.28Å; F254-L256 HydrophobicContact CE2-CG 3.73Å; F254-L256 HydrophobicContact CZ-CD2 4.26Å; L256-N258 PolarHBondContact O-N 2.92Å; L256-N258 VanDerWaalsContact O-N 3.11Å; L256-L259 HydrophobicContact CD2-CD2 3.91Å; L256-L259 WeakPolarHBondContact O-CB 3.42Å; L256-L259 PolarHBondContact O-N 3.26Å; L256-L286 HydrophobicContact CD2-CD2 4.31Å; L256-A291 HydrophobicContact CD1-CB 4.34Å; L256-F293 HydrophobicContact CB-CB 4.08Å; L256-F293 HydrophobicContact CB-CD1 4Å; L256-F293 HydrophobicContact CB-CD2 3.92Å; L256-F293 HydrophobicContact CB-CE1 4.36Å; L256-F293 HydrophobicContact CB-CE2 4.24Å; L256-F293 HydrophobicContact CB-CG 3.75Å; L256-F293 HydrophobicContact CB-CZ 4.43Å; L256-F293 HydrophobicContact CD1-CD1 3.92Å; L256-F293 HydrophobicContact CD1-CE1 4.39Å; L256-F293 HydrophobicContact CD1-CG 4.35Å; L256-F293 HydrophobicContact CD2-CD1 3.83Å; L256-F293 HydrophobicContact CD2-CE1 3.49Å; L256-F293 VanDerWaalsContact CD2-CE1 3.49Å; L256-F293 HydrophobicContact CD2-CE2 4.34Å; L256-F293 HydrophobicContact CD2-CG 4.4Å; L256-F293 HydrophobicContact CD2-CZ 3.72Å; L256-F293 HydrophobicContact CG-CD1 4.13Å; L256-F293 HydrophobicContact CG-CE1 4.29Å; L256-F293 HydrophobicContact CG-CG 4.39Å; L256-F293 WeakPolarHBondContact O-CD2 3.44Å; L256-F293 WeakPolarHBondContact O-CE2 3.16Å | ||
| 257 | E | 85.4 | Confident | 95.5 | Very high | 106 Ų | 106 | 37.1 Ų | 37.1 | 50% | 0.495 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 119.9 | 177 | -172.3 | 163.1 | -145.9 | 0 | 0 | 110.6 | T255 L259 | T255-E257 VanDerWaalsContact C-N 3.28Å; T255-E257 HydrophobicContact CG2-CB 4.05Å; T255-E257 PolarHBondContact O-N 3.11Å; E257-L259 VanDerWaalsContact C-N 3.28Å; E257-L259 PolarHBondContact O-N 2.71Å |
| 258 | N | 92.6 | Very high | 95.6 | Very high | 69 Ų | 69 | 33.6 Ų | 33.6 | 37% | 0.369 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 12.6 | -176.5 | -51.3 | -35.8 | 0 | 0 | 0 | 116.8 | L256 T260 Q261 K262 S295 | L256-N258 PolarHBondContact O-N 2.92Å; L256-N258 VanDerWaalsContact O-N 3.11Å; N258-T260 VanDerWaalsContact C-N 3.3Å; N258-T260 PolarHBondContact O-N 2.97Å; N258-Q261 WeakPolarHBondContact O-CB 3.39Å; N258-Q261 PolarHBondContact O-N 3.46Å; N258-Q261 VanDerWaalsContact O-N 3.16Å; N258-Q261 PolarHBondContact O-OE1 3.26Å; N258-K262 PolarHBondContact O-N 2.95Å; N258-S295 WeakPolarHBondContact OD1-CB 3.33Å |
| 259 | L | 95.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65 | -34.1 | -177.5 | -175.3 | 55.9 | 0 | 0 | 0 | 112.2 | L243 F254 L256 E257 Q261 K262 M263 L286 F293 | L243-L259 HydrophobicContact CD1-CD1 4.14Å; L243-L259 HydrophobicContact CD2-CD1 4.26Å; F254-L259 HydrophobicContact CD2-CD2 4.28Å; L256-L259 HydrophobicContact CD2-CD2 3.91Å; L256-L259 WeakPolarHBondContact O-CB 3.42Å; L256-L259 PolarHBondContact O-N 3.26Å; E257-L259 VanDerWaalsContact C-N 3.28Å; E257-L259 PolarHBondContact O-N 2.71Å; L259-Q261 PolarHBondContact O-N 3.42Å; L259-K262 HydrophobicContact CD1-CB 4.47Å; L259-K262 HydrophobicContact CD1-CD 4.34Å; L259-K262 PolarHBondContact O-N 3.36Å; L259-M263 HydrophobicContact CG-SD 4.44Å; L259-M263 VanDerWaalsContact O-CG 3.31Å; L259-M263 WeakPolarHBondContact O-CG 3.35Å; L259-M263 PolarHBondContact O-N 3.38Å; L259-L286 HydrophobicContact CD2-CD2 3.44Å; L259-L286 VanDerWaalsContact CD2-CD2 3.44Å; L259-L286 HydrophobicContact CG-CD2 4.37Å; L259-F293 HydrophobicContact CB-CE2 3.86Å; L259-F293 HydrophobicContact CB-CZ 4.11Å; L259-F293 HydrophobicContact CD2-CZ 4.45Å |
| 260 | T | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 172.3 | -42.9 | 0 | 0 | 0 | 0 | 111.1 | N258 K262 M263 T264 Q287 E313 | N258-T260 VanDerWaalsContact C-N 3.3Å; N258-T260 PolarHBondContact O-N 2.97Å; T260-K262 PolarHBondContact O-N 2.84Å; T260-M263 WeakPolarHBondContact O-CB 3.02Å; T260-M263 PolarHBondContact O-N 2Å; T260-T264 PolarHBondContact O-N 3.35Å; T260-T264 PolarHBondContact O-OG1 3.34Å; T260-Q287 PolarHBondContact OG1-NE2 2.85Å; T260-Q287 VanDerWaalsContact OG1-NE2 3.12Å; T260-E313 VanDerWaalsContact CB-OE2 3.28Å; T260-E313 WeakPolarHBondContact CB-OE2 2.98Å; T260-E313 HydrophobicContact CG2-CG 3.79Å; T260-E313 PolarHBondContact OG1-OE2 2.85Å |
| 261 | Q | 97.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 31.6 Ų | 31.6 | 9% | 0.089 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.7 | -70.7 | 65.7 | 30.5 | 0 | 0 | 111.4 | N258 L259 M263 T264 Y265 S295 E313 W316 | N258-Q261 WeakPolarHBondContact O-CB 3.39Å; N258-Q261 PolarHBondContact O-N 3.46Å; N258-Q261 VanDerWaalsContact O-N 3.16Å; N258-Q261 PolarHBondContact O-OE1 3.26Å; L259-Q261 PolarHBondContact O-N 3.42Å; Q261-M263 VanDerWaalsContact C-N 3.3Å; Q261-M263 PolarHBondContact O-N 3.12Å; Q261-T264 PolarHBondContact O-N 3.36Å; Q261-Y265 HydrophobicContact CB-CE2 4.04Å; Q261-Y265 VanDerWaalsContact O-CD2 3.23Å; Q261-Y265 WeakPolarHBondContact O-CD2 3.35Å; Q261-Y265 VanDerWaalsContact O-CG 3.24Å; Q261-Y265 PolarHBondContact O-N 3.19Å; Q261-S295 PolarHBondContact NE2-OG 3.33Å; Q261-E313 VanDerWaalsContact NE2-CD 3.31Å; Q261-E313 PolarHBondContact NE2-OE1 3.45Å; Q261-E313 PolarHBondContact OE1-OE1 3.35Å; Q261-W316 HydrophobicContact CB-CH2 4.29Å; Q261-W316 HydrophobicContact CB-CZ3 4.5Å; Q261-W316 HydrophobicContact CG-CH2 3.78Å; Q261-W316 HydrophobicContact CG-CZ3 3.92Å |
| 262 | K | 97.2 | Very high | 96.2 | Very high | 81 Ų | 81 | 34.6 Ų | 34.6 | 35% | 0.352 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -55.9 | -47.9 | 175.6 | -70.4 | 178.5 | 179.8 | 176.7 | 0 | 110.3 | F163 E251 N258 L259 T260 T264 Y265 E266 | F163-K262 HydrophobicContact CE1-CB 4.23Å; F163-K262 HydrophobicContact CZ-CB 4.18Å; E251-K262 IonicContact OE2-NZ 2.7Å; E251-K262 PolarHBondContact OE2-NZ 2.94Å; E251-K262 VanDerWaalsContact OE2-NZ 3.16Å; N258-K262 PolarHBondContact O-N 2.95Å; L259-K262 HydrophobicContact CD1-CB 4.47Å; L259-K262 HydrophobicContact CD1-CD 4.34Å; L259-K262 PolarHBondContact O-N 3.36Å; T260-K262 PolarHBondContact O-N 2.84Å; K262-T264 PolarHBondContact O-N 2.75Å; K262-Y265 PolarHBondContact O-N 3.29Å; K262-E266 VanDerWaalsContact O-CG 3.24Å; K262-E266 WeakPolarHBondContact O-CG 3.03Å; K262-E266 PolarHBondContact O-N 3.05Å |
| 263 | M | 98.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.7 | -70 | 173.2 | 57.6 | 0 | 0 | 112.6 | I135 F163 L259 T260 Q261 Y265 E266 A267 L283 Y285 L286 | I135-M263 HydrophobicContact CG2-CB 3.87Å; I135-M263 HydrophobicContact CG2-CE 4.43Å; I135-M263 HydrophobicContact CG2-CG 4.11Å; F163-M263 HydrophobicContact CD1-CG 4.41Å; F163-M263 HydrophobicContact CE1-CG 4.15Å; L259-M263 HydrophobicContact CG-SD 4.44Å; L259-M263 VanDerWaalsContact O-CG 3.31Å; L259-M263 WeakPolarHBondContact O-CG 3.35Å; L259-M263 PolarHBondContact O-N 3.38Å; T260-M263 WeakPolarHBondContact O-CB 3.02Å; T260-M263 PolarHBondContact O-N 2Å; Q261-M263 VanDerWaalsContact C-N 3.3Å; Q261-M263 PolarHBondContact O-N 3.12Å; M263-Y265 VanDerWaalsContact C-N 3.35Å; M263-Y265 PolarHBondContact O-N 2.96Å; M263-E266 PolarHBondContact O-N 3.49Å; M263-A267 WeakPolarHBondContact O-CB 3.05Å; M263-A267 PolarHBondContact O-N 3.29Å; M263-L283 HydrophobicContact CE-CD1 4.17Å; M263-Y285 HydrophobicContact CE-CD1 4.28Å; M263-L286 HydrophobicContact CE-CD1 4.19Å; M263-L286 HydrophobicContact SD-CD1 3.81Å |
| 264 | T | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 176.2 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | T260 Q261 K262 A267 V268 W316 S317 Q320 | T260-T264 PolarHBondContact O-N 3.35Å; T260-T264 PolarHBondContact O-OG1 3.34Å; Q261-T264 PolarHBondContact O-N 3.36Å; K262-T264 PolarHBondContact O-N 2.75Å; T264-A267 WeakPolarHBondContact O-CB 3.37Å; T264-A267 PolarHBondContact O-N 3.09Å; T264-V268 WeakPolarHBondContact O-CG2 3.5Å; T264-V268 PolarHBondContact O-N 2.93Å; T264-W316 HydrophobicContact CG2-CH2 4Å; T264-W316 HydrophobicContact CG2-CZ3 4.09Å; T264-W316 WeakPolarHBondContact OG1-CZ3 3.04Å; T264-S317 WeakPolarHBondContact OG1-CB 3.25Å; T264-S317 PolarHBondContact OG1-OG 3.36Å; T264-Q320 HydrophobicContact CG2-CB 3.61Å; T264-Q320 HydrophobicContact CG2-CG 3.94Å |
| 265 | Y | 98.5 | Very high | 96.6 | Very high | 137 Ų | 137 | 42.2 Ų | 42.2 | 54% | 0.537 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.4 | -40.2 | 178.9 | -62.4 | -33.1 | 0 | 0 | 0 | 112.6 | Q261 K262 M263 A267 V268 D269 | Q261-Y265 HydrophobicContact CB-CE2 4.04Å; Q261-Y265 VanDerWaalsContact O-CD2 3.23Å; Q261-Y265 WeakPolarHBondContact O-CD2 3.35Å; Q261-Y265 VanDerWaalsContact O-CG 3.24Å; Q261-Y265 PolarHBondContact O-N 3.19Å; K262-Y265 PolarHBondContact O-N 3.29Å; M263-Y265 VanDerWaalsContact C-N 3.35Å; M263-Y265 PolarHBondContact O-N 2.96Å; Y265-A267 VanDerWaalsContact C-N 3.27Å; Y265-A267 PolarHBondContact O-N 2.82Å; Y265-V268 PolarHBondContact O-N 2.03Å; Y265-D269 VanDerWaalsContact O-CB 3.32Å; Y265-D269 WeakPolarHBondContact O-CB 3.5Å; Y265-D269 PolarHBondContact O-N 3.23Å |
| 266 | E | 98.6 | Very high | 96.7 | Very high | 26 Ų | 26 | 43 Ų | 43 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -37.9 | 172.6 | -70.1 | -73.4 | 167.4 | 0 | 0 | 111.7 | I135 Y161 F163 R245 K262 M263 F270 | I135-E266 VanDerWaalsContact CD1-C 3.42Å; I135-E266 HydrophobicContact CD1-CB 3.88Å; I135-E266 HydrophobicContact CG2-CB 4.31Å; Y161-E266 PolarHBondContact OH-OE2 3.23Å; F163-E266 HydrophobicContact CB-CG 4.32Å; F163-E266 HydrophobicContact CD1-CB 4.16Å; F163-E266 HydrophobicContact CD1-CG 3.65Å; F163-E266 HydrophobicContact CD2-CG 4.18Å; F163-E266 HydrophobicContact CE1-CG 3.92Å; F163-E266 HydrophobicContact CE2-CG 4.42Å; F163-E266 HydrophobicContact CG-CB 4.41Å; F163-E266 HydrophobicContact CG-CG 3.78Å; F163-E266 HydrophobicContact CZ-CG 4.29Å; R245-E266 IonicContact CZ-OE1 2.93Å; R245-E266 IonicContact NH1-OE1 3.68Å; R245-E266 PolarHBondContact NH1-OE1 2.75Å; R245-E266 IonicContact NH1-OE2 2.65Å; R245-E266 PolarHBondContact NH1-OE2 3.22Å; R245-E266 IonicContact NH2-OE1 3.83Å; R245-E266 PolarHBondContact NH2-OE1 3.2Å; K262-E266 VanDerWaalsContact O-CG 3.24Å; K262-E266 WeakPolarHBondContact O-CG 3.03Å; K262-E266 PolarHBondContact O-N 3.05Å; M263-E266 PolarHBondContact O-N 3.49Å; E266-F270 WeakPolarHBondContact O-CB 3.39Å; E266-F270 PolarHBondContact O-N 2.84Å |
| 267 | A | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.4 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I135 M263 T264 Y265 F270 I271 L281 L283 I321 | I135-A267 HydrophobicContact CD1-CB 3.82Å; I135-A267 VanDerWaalsContact CD1-N 3.3Å; M263-A267 WeakPolarHBondContact O-CB 3.05Å; M263-A267 PolarHBondContact O-N 3.29Å; T264-A267 WeakPolarHBondContact O-CB 3.37Å; T264-A267 PolarHBondContact O-N 3.09Å; Y265-A267 VanDerWaalsContact C-N 3.27Å; Y265-A267 PolarHBondContact O-N 2.82Å; A267-F270 PolarHBondContact O-N 3.35Å; A267-I271 WeakPolarHBondContact O-CD1 3.42Å; A267-I271 VanDerWaalsContact O-CG1 3.24Å; A267-I271 WeakPolarHBondContact O-CG1 3.43Å; A267-I271 PolarHBondContact O-N 3.32Å; A267-L281 HydrophobicContact CB-CD2 3.89Å; A267-L283 HydrophobicContact CB-CD1 4.3Å; A267-L283 HydrophobicContact CB-CD2 4.22Å; A267-I321 HydrophobicContact CB-CD1 3.68Å |
| 268 | V | 98.9 | Very high | 97.4 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 13% | 0.127 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -48.9 | 176 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | T264 Y265 F270 I271 E272 I321 T324 | T264-V268 WeakPolarHBondContact O-CG2 3.5Å; T264-V268 PolarHBondContact O-N 2.93Å; Y265-V268 PolarHBondContact O-N 2.03Å; V268-F270 VanDerWaalsContact C-N 3.34Å; V268-F270 PolarHBondContact O-N 3.2Å; V268-I271 PolarHBondContact O-N 3.49Å; V268-I271 VanDerWaalsContact O-N 3.15Å; V268-E272 HydrophobicContact CG1-CG 4.4Å; V268-E272 WeakPolarHBondContact O-CG 3.26Å; V268-E272 PolarHBondContact O-N 2.66Å; V268-I321 HydrophobicContact CG2-CD1 4.18Å; V268-T324 HydrophobicContact CG1-CG2 4.14Å |
| 269 | D | 98.8 | Very high | 97.7 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 178.3 | 171.1 | 73.3 | 0 | 0 | 0 | 111.9 | Y265 I271 E272 R273 | Y265-D269 VanDerWaalsContact O-CB 3.32Å; Y265-D269 WeakPolarHBondContact O-CB 3.5Å; Y265-D269 PolarHBondContact O-N 3.23Å; D269-I271 PolarHBondContact O-N 3.32Å; D269-E272 PolarHBondContact O-N 3.23Å; D269-R273 WeakPolarHBondContact O-CB 3.3Å; D269-R273 WeakPolarHBondContact O-CG 3.32Å; D269-R273 PolarHBondContact O-N 3.31Å; D269-R273 IonicContact OD1-NE 3.59Å; D269-R273 IonicContact OD2-CZ 2.61Å; D269-R273 IonicContact OD2-NE 2.74Å; D269-R273 PolarHBondContact OD2-NE 3.08Å; D269-R273 IonicContact OD2-NH2 3.01Å; D269-R273 PolarHBondContact OD2-NH2 3.15Å |
| 270 | F | 98.8 | Very high | 97.9 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 173.1 | 176.6 | -99.4 | 0 | 0 | 0 | 111.9 | N131 A133 E266 A267 V268 N274 F279 L281 | N131-F270 HydrophobicContact CB-CZ 4.45Å; A133-F270 HydrophobicContact CB-CD1 3.91Å; A133-F270 HydrophobicContact CB-CD2 3.56Å; A133-F270 HydrophobicContact CB-CE1 3.78Å; A133-F270 HydrophobicContact CB-CE2 3.43Å; A133-F270 VanDerWaalsContact CB-CE2 3.43Å; A133-F270 HydrophobicContact CB-CG 3.79Å; A133-F270 HydrophobicContact CB-CZ 3.54Å; E266-F270 WeakPolarHBondContact O-CB 3.39Å; E266-F270 PolarHBondContact O-N 2.84Å; A267-F270 PolarHBondContact O-N 3.35Å; V268-F270 VanDerWaalsContact C-N 3.34Å; V268-F270 PolarHBondContact O-N 3.2Å; F270-N274 VanDerWaalsContact CD2-ND2 3.28Å; F270-N274 WeakPolarHBondContact CD2-ND2 3.2Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.28Å; F270-N274 WeakPolarHBondContact O-CB 3.27Å; F270-N274 PolarHBondContact O-N 3.18Å; F270-N274 PolarHBondContact O-ND2 2.86Å; F270-F279 HydrophobicContact CE1-CB 3.94Å; F270-F279 AromaticContact CE1-CD2 3.94Å; F270-F279 HydrophobicContact CE1-CD2 3.94Å; F270-F279 HydrophobicContact CE1-CG 4.18Å; F270-F279 HydrophobicContact CZ-CB 4.04Å; F270-L281 HydrophobicContact CD1-CB 4.06Å; F270-L281 HydrophobicContact CD1-CD1 4.15Å; F270-L281 HydrophobicContact CD1-CG 4.49Å; F270-L281 HydrophobicContact CE1-CB 3.95Å |
| 271 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 178.5 | -65.6 | 162.1 | 0 | 0 | 0 | 110.5 | I33 A267 V268 D269 N274 S275 F279 L281 I321 T324 L325 L328 | I33-I271 HydrophobicContact CD1-CD1 3.73Å; I33-I271 HydrophobicContact CD1-CG1 4.21Å; A267-I271 WeakPolarHBondContact O-CD1 3.42Å; A267-I271 VanDerWaalsContact O-CG1 3.24Å; A267-I271 WeakPolarHBondContact O-CG1 3.43Å; A267-I271 PolarHBondContact O-N 3.32Å; V268-I271 PolarHBondContact O-N 3.49Å; V268-I271 VanDerWaalsContact O-N 3.15Å; D269-I271 PolarHBondContact O-N 3.32Å; I271-N274 CarbonylContact O-C 3.48Å; I271-N274 PolarHBondContact O-N 3.09Å; I271-S275 PolarHBondContact O-N 2.9Å; I271-F279 HydrophobicContact CG1-CE2 4.16Å; I271-F279 HydrophobicContact CG1-CZ 4.26Å; I271-F279 HydrophobicContact CG2-CE1 4.4Å; I271-F279 HydrophobicContact CG2-CZ 3.97Å; I271-L281 HydrophobicContact CD1-CD2 3.95Å; I271-L281 HydrophobicContact CG1-CD2 4.08Å; I271-I321 HydrophobicContact CD1-CD1 3.99Å; I271-I321 HydrophobicContact CD1-CG2 3.98Å; I271-T324 HydrophobicContact CB-CG2 4.25Å; I271-T324 HydrophobicContact CG2-CG2 3.93Å; I271-L325 HydrophobicContact CG2-CD2 4.11Å; I271-L328 HydrophobicContact CG2-CD1 3.73Å |
| 272 | E | 98.6 | Very high | 98 | Very high | 77 Ų | 77 | 43 Ų | 43 | 36% | 0.36 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 179.5 | -73.8 | -174.1 | 140.6 | 0 | 0 | 112.7 | V268 D269 N274 T324 R327 L328 | V268-E272 HydrophobicContact CG1-CG 4.4Å; V268-E272 WeakPolarHBondContact O-CG 3.26Å; V268-E272 PolarHBondContact O-N 2.66Å; D269-E272 PolarHBondContact O-N 3.23Å; E272-N274 PolarHBondContact O-N 2.74Å; E272-T324 HydrophobicContact CG-CG2 4.44Å; E272-R327 IonicContact OE1-CZ 3.13Å; E272-R327 IonicContact OE1-NH1 2.77Å; E272-R327 PolarHBondContact OE1-NH1 2.75Å; E272-R327 IonicContact OE1-NH2 2.65Å; E272-R327 PolarHBondContact OE1-NH2 3.4Å; E272-L328 HydrophobicContact CG-CD1 4.04Å |
| 273 | R | 98.1 | Very high | 98.1 | Very high | 144 Ų | 144 | 39.1 Ų | 39.1 | 54% | 0.543 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.5 | -21.6 | 178.4 | -72.5 | -173 | -72.4 | 155.3 | -5.3 | 113.2 | D269 | D269-R273 WeakPolarHBondContact O-CB 3.3Å; D269-R273 WeakPolarHBondContact O-CG 3.32Å; D269-R273 PolarHBondContact O-N 3.31Å; D269-R273 IonicContact OD1-NE 3.59Å; D269-R273 IonicContact OD2-CZ 2.61Å; D269-R273 IonicContact OD2-NE 2.74Å; D269-R273 PolarHBondContact OD2-NE 3.08Å; D269-R273 IonicContact OD2-NH2 3.01Å; D269-R273 PolarHBondContact OD2-NH2 3.15Å |
| 274 | N | 98 | Very high | 98.1 | Very high | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -113.1 | 4.1 | -173.1 | -67.2 | -68.6 | 0 | 0 | 0 | 114.2 | N131 F270 I271 E272 G276 R277 F279 | N131-N274 WeakPolarHBondContact CB-OD1 3.34Å; N131-N274 PolarHBondContact ND2-OD1 3.32Å; F270-N274 VanDerWaalsContact CD2-ND2 3.28Å; F270-N274 WeakPolarHBondContact CD2-ND2 3.2Å; F270-N274 WeakPolarHBondContact CE2-ND2 3.28Å; F270-N274 WeakPolarHBondContact O-CB 3.27Å; F270-N274 PolarHBondContact O-N 3.18Å; F270-N274 PolarHBondContact O-ND2 2.86Å; I271-N274 CarbonylContact O-C 3.48Å; I271-N274 PolarHBondContact O-N 3.09Å; E272-N274 PolarHBondContact O-N 2.74Å; N274-G276 PolarHBondContact O-N 3.18Å; N274-R277 PolarHBondContact O-N 3.09Å; N274-F279 HydrophobicContact CB-CB 3.98Å; N274-F279 HydrophobicContact CB-CD1 3.91Å; N274-F279 HydrophobicContact CB-CG 4.19Å |
| 275 | S | 95.3 | Very high | 98.1 | Very high | 50 Ų | 50 | 39 Ų | 39 | 35% | 0.35 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.1 | -173.6 | 72.1 | 0 | 0 | 0 | 0 | 114.9 | I271 | I271-S275 PolarHBondContact O-N 2.9Š|
| 276 | G | 94.7 | Very high | 98.1 | Very high | 75 Ų | 75 | 32.6 Ų | 32.6 | 77% | 0.773 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 4.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N274 | N274-G276 PolarHBondContact O-N 3.18Š|
| 277 | R | 95 | Very high | 97.9 | Very high | 169 Ų | 169 | 31.4 Ų | 31.4 | 64% | 0.638 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -140.9 | 153.8 | -178.8 | -65.5 | -174.8 | -176.8 | 179.2 | 3.1 | 110.4 | N31 N274 F279 | N31-R277 PolarHBondContact OD1-O 3.32Å; N274-R277 PolarHBondContact O-N 3.09Å; R277-F279 PolarHBondContact O-N 3.49Å |
| 278 | P | 97.8 | Very high | 97.6 | Very high | 34 Ų | 34 | 31.7 Ų | 31.7 | 22% | 0.221 | 17% | 0.167 | C | C | . | . | trans | -62.7 | 132.4 | 173.6 | 26.9 | -34.2 | 0 | 0 | 0 | 110.4 | K29 N31 Y130 N131 | K29-P278 HydrophobicContact CB-CB 3.91Å; K29-P278 HydrophobicContact CB-CG 4.29Å; N31-P278 WeakPolarHBondContact OD1-CA 3.19Å; Y130-P278 WeakPolarHBondContact CA-O 3.28Å; Y130-P278 HydrophobicContact CD1-CB 3.87Å; Y130-P278 HydrophobicContact CD2-CB 4.29Å; Y130-P278 HydrophobicContact CE1-CB 3.7Å; Y130-P278 HydrophobicContact CE2-CB 4.16Å; Y130-P278 HydrophobicContact CG-CB 4.15Å; N131-P278 PolarHBondContact N-O 2.67Å; N131-P278 VanDerWaalsContact N-O 3.13Å | ||
| 279 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 153.7 | 178.7 | 64.6 | -99.5 | 0 | 0 | 0 | 112.9 | N31 F32 I33 N131 F270 I271 N274 R277 L325 | N31-F279 CarbonylContact C-O 3.51Å; N31-F279 WeakPolarHBondContact CA-O 3.28Å; N31-F279 HydrophobicContact CB-CD1 4.11Å; N31-F279 HydrophobicContact CB-CD2 4.13Å; N31-F279 HydrophobicContact CB-CE1 3.79Å; N31-F279 HydrophobicContact CB-CE2 3.8Å; N31-F279 HydrophobicContact CB-CG 4.27Å; N31-F279 HydrophobicContact CB-CZ 3.62Å; N31-F279 WeakPolarHBondContact ND2-CE1 3.31Å; N31-F279 VanDerWaalsContact OD1-CD1 3.27Å; N31-F279 WeakPolarHBondContact OD1-CD1 3.16Å; N31-F279 WeakPolarHBondContact OD1-CE1 3.4Å; N31-F279 PolarHBondContact OD1-N 2.98Å; F32-F279 PolarHBondContact N-O 3.5Å; I33-F279 HydrophobicContact CD1-CE2 3.97Å; I33-F279 HydrophobicContact CD1-CZ 4.39Å; I33-F279 HydrophobicContact CG1-CE2 3.76Å; N131-F279 CarbonylContact O-C 3.54Å; N131-F279 VanDerWaalsContact O-CA 3.23Å; N131-F279 WeakPolarHBondContact O-CA 3.34Å; F270-F279 HydrophobicContact CE1-CB 3.94Å; F270-F279 AromaticContact CE1-CD2 3.94Å; F270-F279 HydrophobicContact CE1-CD2 3.94Å; F270-F279 HydrophobicContact CE1-CG 4.18Å; F270-F279 HydrophobicContact CZ-CB 4.04Å; I271-F279 HydrophobicContact CG1-CE2 4.16Å; I271-F279 HydrophobicContact CG1-CZ 4.26Å; I271-F279 HydrophobicContact CG2-CE1 4.4Å; I271-F279 HydrophobicContact CG2-CZ 3.97Å; N274-F279 HydrophobicContact CB-CB 3.98Å; N274-F279 HydrophobicContact CB-CD1 3.91Å; N274-F279 HydrophobicContact CB-CG 4.19Å; R277-F279 PolarHBondContact O-N 3.49Å; F279-L325 HydrophobicContact CZ-CD2 4.43Å |
| 280 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 119.9 | 167 | -179.3 | 148.3 | 0 | 0 | 0 | 108.5 | F32 L34 F121 V125 Y130 N131 T132 A133 F159 F282 I406 | F32-L280 HydrophobicContact CB-CB 4.31Å; F32-L280 HydrophobicContact CB-CD1 4.19Å; F32-L280 HydrophobicContact CB-CG 4.08Å; F32-L280 HydrophobicContact CD2-CB 4.39Å; F32-L280 HydrophobicContact CD2-CD1 4.18Å; F32-L280 CarbonylContact O-C 3.42Å; F32-L280 WeakPolarHBondContact O-CA 3.19Å; L34-L280 HydrophobicContact CD1-CD1 4.38Å; F121-L280 HydrophobicContact CD2-CD1 3.59Å; F121-L280 HydrophobicContact CE2-CD1 3.75Å; F121-L280 HydrophobicContact CE2-CD2 4.05Å; V125-L280 HydrophobicContact CG2-CB 4.11Å; V125-L280 HydrophobicContact CG2-CD1 3.75Å; Y130-L280 HydrophobicContact CD1-CB 4.48Å; N131-L280 PolarHBondContact O-N 2.95Å; T132-L280 CarbonylContact C-O 3.57Å; T132-L280 VanDerWaalsContact CA-O 3.32Å; T132-L280 WeakPolarHBondContact CA-O 3.48Å; T132-L280 HydrophobicContact CG2-CB 4.15Å; A133-L280 PolarHBondContact N-O 3.4Å; F159-L280 HydrophobicContact CE1-CD2 3.8Å; L280-F282 HydrophobicContact CD2-CB 4.41Å; L280-I406 HydrophobicContact CD1-CD1 4.5Å; L280-I406 HydrophobicContact CD1-CG2 4.22Å |
| 281 | L | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 118.8 | 170.5 | 171.1 | 61.6 | 0 | 0 | 0 | 108.8 | F32 I33 L34 A133 I135 A267 F270 I271 L283 | F32-L281 PolarHBondContact O-N 3.01Å; I33-L281 CarbonylContact C-O 3.39Å; I33-L281 WeakPolarHBondContact CA-O 3.07Å; I33-L281 HydrophobicContact CG1-CB 4.18Å; I33-L281 HydrophobicContact CG1-CD2 4.43Å; I33-L281 HydrophobicContact CG2-CD2 4.2Å; L34-L281 PolarHBondContact N-O 3.21Å; A133-L281 HydrophobicContact CB-CD1 4.08Å; I135-L281 HydrophobicContact CB-CD1 4.45Å; I135-L281 HydrophobicContact CD1-CD1 3.68Å; I135-L281 HydrophobicContact CG1-CD1 3.96Å; A267-L281 HydrophobicContact CB-CD2 3.89Å; F270-L281 HydrophobicContact CD1-CB 4.06Å; F270-L281 HydrophobicContact CD1-CD1 4.15Å; F270-L281 HydrophobicContact CD1-CG 4.49Å; F270-L281 HydrophobicContact CE1-CB 3.95Å; I271-L281 HydrophobicContact CD1-CD2 3.95Å; I271-L281 HydrophobicContact CG1-CD2 4.08Å; L281-L283 HydrophobicContact CG-CB 4.4Å |
| 282 | F | 98.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.013 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 101.1 | 165.1 | -177 | -158.3 | 0 | 0 | 0 | 108.9 | L34 M36 F85 L86 A133 L134 I135 F159 L280 S284 | L34-F282 HydrophobicContact CB-CD2 4.01Å; L34-F282 CarbonylContact O-C 3.31Å; M36-F282 HydrophobicContact CB-CE2 3.66Å; M36-F282 HydrophobicContact CB-CZ 4.23Å; M36-F282 HydrophobicContact CE-CZ 4.48Å; M36-F282 HydrophobicContact SD-CE2 4.28Å; M36-F282 HydrophobicContact SD-CZ 3.95Å; F85-F282 HydrophobicContact CD1-CE1 4.27Å; F85-F282 HydrophobicContact CD1-CE2 4.32Å; F85-F282 AromaticContact CD1-CZ 3.89Å; F85-F282 HydrophobicContact CD1-CZ 3.89Å; F85-F282 HydrophobicContact CE1-CD1 4.45Å; F85-F282 HydrophobicContact CE1-CD2 4.09Å; F85-F282 HydrophobicContact CE1-CE1 4.05Å; F85-F282 AromaticContact CE1-CE2 3.61Å; F85-F282 HydrophobicContact CE1-CE2 3.61Å; F85-F282 AromaticContact CE1-CZ 3.61Å; F85-F282 HydrophobicContact CE1-CZ 3.61Å; F85-F282 HydrophobicContact CZ-CE2 4.37Å; L86-F282 HydrophobicContact CD2-CD1 4.06Å; L86-F282 HydrophobicContact CD2-CE1 3.97Å; A133-F282 PolarHBondContact O-N 3.09Å; L134-F282 WeakPolarHBondContact CA-O 3.16Å; L134-F282 HydrophobicContact CD1-CB 4.11Å; L134-F282 HydrophobicContact CD1-CD1 3.38Å; L134-F282 HydrophobicContact CD1-CE1 3.88Å; L134-F282 HydrophobicContact CD1-CG 3.84Å; I135-F282 PolarHBondContact N-O 3.47Å; F159-F282 HydrophobicContact CE1-CB 3.91Å; F159-F282 HydrophobicContact CE1-CD1 4.5Å; F159-F282 HydrophobicContact CZ-CB 4.18Å; F159-F282 AromaticContact CZ-CD1 3.95Å; F159-F282 HydrophobicContact CZ-CD1 3.95Å; L280-F282 HydrophobicContact CD2-CB 4.41Å; F282-S284 PolarHBondContact O-N 2.83Å |
| 283 | L | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 94.1 | 175 | -175.5 | 56 | 0 | 0 | 0 | 109 | L34 M35 M36 I135 M263 A267 L281 Y285 I321 | L34-L283 PolarHBondContact O-N 2.84Å; M35-L283 WeakPolarHBondContact CA-O 3.24Å; M35-L283 HydrophobicContact CG-CB 4.31Å; M35-L283 HydrophobicContact CG-CD2 4.47Å; M36-L283 PolarHBondContact N-O 3.09Å; I135-L283 HydrophobicContact CB-CD1 3.84Å; I135-L283 HydrophobicContact CG2-CD1 3.71Å; M263-L283 HydrophobicContact CE-CD1 4.17Å; A267-L283 HydrophobicContact CB-CD1 4.3Å; A267-L283 HydrophobicContact CB-CD2 4.22Å; L281-L283 HydrophobicContact CG-CB 4.4Å; L283-Y285 HydrophobicContact CD1-CE1 4.39Å; L283-Y285 HydrophobicContact CD2-CE1 3.97Å; L283-Y285 HydrophobicContact CD2-CE2 4.07Å; L283-Y285 VanDerWaalsContact CD2-CZ 3.47Å; L283-Y285 WeakPolarHBondContact CD2-OH 3.23Å; L283-Y285 HydrophobicContact CG-CE1 4.03Å; L283-Y285 HydrophobicContact CG-CE2 3.98Å; L283-I321 HydrophobicContact CD2-CD1 4.4Å; L283-I321 HydrophobicContact CD2-CG1 4.23Å |
| 284 | S | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 92.8 | -179.6 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | M36 R82 I135 G136 K137 F282 | M36-S284 CarbonylContact O-C 3.53Å; M36-S284 WeakPolarHBondContact O-CA 3.31Å; R82-S284 PolarHBondContact NH1-OG 3.08Å; I135-S284 PolarHBondContact O-N 2.87Å; G136-S284 CarbonylContact C-O 3.25Å; G136-S284 VanDerWaalsContact CA-O 3.24Å; G136-S284 WeakPolarHBondContact CA-O 3.26Å; K137-S284 PolarHBondContact N-O 2.98Å; K137-S284 WeakPolarHBondContact O-CB 3.23Å; K137-S284 PolarHBondContact O-OG 3.29Å; F282-S284 PolarHBondContact O-N 2.83Å |
| 285 | Y | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -56.5 | 148.1 | 179.3 | -63.3 | -77.2 | 0 | 0 | 0 | 112.4 | M35 M36 L37 M263 L283 V314 S317 | M35-Y285 HydrophobicContact CB-CE2 4.26Å; M35-Y285 HydrophobicContact CG-CE2 4.46Å; M36-Y285 PolarHBondContact O-N 2.96Å; L37-Y285 HydrophobicContact CD1-CD2 4.45Å; L37-Y285 HydrophobicContact CG-CD2 4.16Å; M263-Y285 HydrophobicContact CE-CD1 4.28Å; L283-Y285 HydrophobicContact CD1-CE1 4.39Å; L283-Y285 HydrophobicContact CD2-CE1 3.97Å; L283-Y285 HydrophobicContact CD2-CE2 4.07Å; L283-Y285 VanDerWaalsContact CD2-CZ 3.47Å; L283-Y285 WeakPolarHBondContact CD2-OH 3.23Å; L283-Y285 HydrophobicContact CG-CE1 4.03Å; L283-Y285 HydrophobicContact CG-CE2 3.98Å; Y285-V314 HydrophobicContact CD1-CG1 4.41Å; Y285-V314 HydrophobicContact CD1-CG2 4.25Å; Y285-V314 HydrophobicContact CD2-CG1 4Å; Y285-V314 HydrophobicContact CE1-CG1 4.27Å; Y285-V314 HydrophobicContact CE2-CG1 3.83Å; Y285-V314 HydrophobicContact CG-CG1 4.27Å; Y285-V314 HydrophobicContact CG-CG2 4.34Å; Y285-S317 WeakPolarHBondContact CE1-OG 3.03Å; Y285-S317 WeakPolarHBondContact OH-CB 3.36Å; Y285-S317 PolarHBondContact OH-OG 2.77Å | ||
| 286 | L | 97.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | trans | -76 | -19.7 | 163.1 | -83.2 | 59.4 | 0 | 0 | 0 | 110.4 | K137 I165 N169 L256 L259 M263 H289 F293 | K137-L286 HydrophobicContact CB-CD1 4.14Å; I165-L286 HydrophobicContact CD1-CD1 4.04Å; I165-L286 HydrophobicContact CD1-CD2 3.78Å; I165-L286 HydrophobicContact CD1-CG 3.69Å; I165-L286 HydrophobicContact CG1-CD1 4.05Å; I165-L286 HydrophobicContact CG1-CD2 4.44Å; I165-L286 HydrophobicContact CG1-CG 4.26Å; I165-L286 HydrophobicContact CG2-CD2 4.47Å; N169-L286 HydrophobicContact CB-CB 4.45Å; N169-L286 HydrophobicContact CB-CD2 4.46Å; N169-L286 HydrophobicContact CB-CG 4.41Å; L256-L286 HydrophobicContact CD2-CD2 4.31Å; L259-L286 HydrophobicContact CD2-CD2 3.44Å; L259-L286 VanDerWaalsContact CD2-CD2 3.44Å; L259-L286 HydrophobicContact CG-CD2 4.37Å; M263-L286 HydrophobicContact CE-CD1 4.19Å; M263-L286 HydrophobicContact SD-CD1 3.81Å; L286-H289 WeakPolarHBondContact O-CB 3.37Å; L286-H289 PolarHBondContact O-N 3.39Å; L286-H289 VanDerWaalsContact O-N 3.15Å; L286-F293 HydrophobicContact CB-CE1 4.28Å; L286-F293 HydrophobicContact CB-CZ 4.34Å; L286-F293 HydrophobicContact CD2-CZ 4.4Å | ||
| 287 | Q | 94.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 139.2 | -177.4 | -92 | 65.1 | -2.5 | 0 | 0 | 109.3 | L37 D38 T260 F293 A310 V314 | L37-Q287 WeakPolarHBondContact CA-O 3.17Å; D38-Q287 PolarHBondContact N-O 3.23Å; D38-Q287 CarbonylContact O-C 3.57Å; T260-Q287 PolarHBondContact OG1-NE2 2.85Å; T260-Q287 VanDerWaalsContact OG1-NE2 3.12Å; Q287-F293 VanDerWaalsContact CD-CZ 3.41Å; Q287-F293 VanDerWaalsContact NE2-CD2 3.29Å; Q287-F293 PolarHBondContact NE2-O 3.45Å; Q287-A310 HydrophobicContact CG-CB 3.95Å; Q287-V314 HydrophobicContact CB-CG2 3.34Å; Q287-V314 HydrophobicContact CG-CG2 3.92Å |
| 288 | V | 93.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.03 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -109.9 | 38.3 | 7.8 | -74.5 | 0 | 0 | 0 | 0 | 112.1 | D38 L40 L292 Y307 A310 V311 | D38-V288 CarbonylContact O-C 3.49Å; D38-V288 VanDerWaalsContact O-C 3.31Å; D38-V288 WeakPolarHBondContact O-CA 3.28Å; D38-V288 PolarHBondContact O-N 2.92Å; L40-V288 HydrophobicContact CB-CG2 4.19Å; L40-V288 HydrophobicContact CD1-CG2 4.16Å; V288-L292 HydrophobicContact CB-CD2 4.41Å; V288-L292 WeakPolarHBondContact O-CD2 3.11Å; V288-Y307 HydrophobicContact CB-CD2 4.13Å; V288-Y307 HydrophobicContact CB-CE2 3.64Å; V288-Y307 HydrophobicContact CG1-CE2 4.48Å; V288-Y307 HydrophobicContact CG2-CD2 4.3Å; V288-Y307 HydrophobicContact CG2-CE2 3.34Å; V288-Y307 WeakPolarHBondContact CG2-OH 3.36Å; V288-A310 HydrophobicContact CG1-CB 3.85Å; V288-V311 HydrophobicContact CG1-CG2 3.64Å; V288-V311 HydrophobicContact CG2-CG2 4.5Å |
| 289 | H | 93.1 | Very high | 95.4 | Very high | 16 Ų | 16 | 17.4 Ų | 17.4 | 7% | 0.074 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -74.5 | 147.9 | 178.7 | -168.8 | -73.9 | 0 | 0 | 0 | 112 | D38 D39 N169 L286 K367 | D38-H289 HydrophobicContact CB-CB 3.8Å; D38-H289 PolarHBondContact O-N 3.48Å; D38-H289 IonicContact OD1-CD2 3.23Å; D38-H289 PolarHBondContact OD1-CD2 2.74Å; D38-H289 WeakPolarHBondContact OD2-CB 3.27Å; D38-H289 IonicContact OD2-CD2 2.74Å; D38-H289 IonicContact OD2-CG 3.72Å; D39-H289 IonicContact OD1-CD2 3.77Å; D39-H289 IonicContact OD2-CD2 3.36Å; D39-H289 PolarHBondContact OD2-CD2 3.29Å; D39-H289 IonicContact OD2-CG 3.04Å; D39-H289 IonicContact OD2-NE2 2.73Å; N169-H289 PolarHBondContact ND2-O 3.16Å; N169-H289 PolarHBondContact O-CE1 3.19Å; N169-H289 PolarHBondContact O-ND1 2.85Å; L286-H289 WeakPolarHBondContact O-CB 3.37Å; L286-H289 PolarHBondContact O-N 3.39Å; L286-H289 VanDerWaalsContact O-N 3.15Å; H289-K367 PolarHBondContact CD2-NZ 3.26Å; H289-K367 VanDerWaalsContact CD2-NZ 3.26Å; H289-K367 PolarHBondContact NE2-NZ 2.65Å |
| 290 | T | 86.9 | Confident | 95.1 | Very high | 9 Ų | 9 | 20.7 Ų | 20.7 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -65 | 143.3 | 175.7 | -166.9 | 0 | 0 | 0 | 0 | 112.4 | N169 R171 E348 | N169-T290 CarbonylContact C-O 3.54Å; N169-T290 VanDerWaalsContact C-O 3.25Å; R171-T290 HydrophobicContact CG-CG2 3.96Å; R171-T290 VanDerWaalsContact CG-OG1 3.32Å; R171-T290 WeakPolarHBondContact CG-OG1 3.08Å; T290-E348 WeakPolarHBondContact CB-OE1 3.41Å; T290-E348 WeakPolarHBondContact CG2-OE1 3.19Å; T290-E348 PolarHBondContact OG1-OE1 2.95Å |
| 291 | A | 88.9 | Confident | 95 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | cis | -70.1 | 129.3 | -2.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N169 Q174 H177 L256 F293 | N169-A291 PolarHBondContact ND2-N 2.95Å; N169-A291 PolarHBondContact ND2-O 3.14Å; Q174-A291 HydrophobicContact CB-CB 3.31Å; Q174-A291 HydrophobicContact CG-CB 4.21Å; H177-A291 HydrophobicContact CB-CB 3.97Å; L256-A291 HydrophobicContact CD1-CB 4.34Å; A291-F293 WeakPolarHBondContact O-CD1 3.07Å |
| 292 | L | 89.9 | Confident | 94.7 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 135 | 179 | -65.6 | 173.6 | 0 | 0 | 0 | 111.6 | Q174 V288 V306 Y307 H356 | Q174-L292 PolarHBondContact NE2-O 3.48Å; Q174-L292 PolarHBondContact OE1-O 3.16Å; V288-L292 HydrophobicContact CB-CD2 4.41Å; V288-L292 WeakPolarHBondContact O-CD2 3.11Å; L292-V306 HydrophobicContact CB-CB 4.28Å; L292-V306 HydrophobicContact CB-CG1 3.81Å; L292-Y307 HydrophobicContact CD1-CD2 4.29Å; L292-Y307 HydrophobicContact CD2-CD2 4.04Å; L292-H356 HydrophobicContact CD1-CB 3.8Å; L292-H356 WeakPolarHBondContact CD1-O 3.36Å |
| 293 | F | 92.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 29.2 Ų | 29.2 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | trans | -146.7 | 154.7 | 176.6 | 68.9 | -81 | 0 | 0 | 0 | 111.2 | L256 L259 L286 Q287 A291 A310 | L256-F293 HydrophobicContact CB-CB 4.08Å; L256-F293 HydrophobicContact CB-CD1 4Å; L256-F293 HydrophobicContact CB-CD2 3.92Å; L256-F293 HydrophobicContact CB-CE1 4.36Å; L256-F293 HydrophobicContact CB-CE2 4.24Å; L256-F293 HydrophobicContact CB-CG 3.75Å; L256-F293 HydrophobicContact CB-CZ 4.43Å; L256-F293 HydrophobicContact CD1-CD1 3.92Å; L256-F293 HydrophobicContact CD1-CE1 4.39Å; L256-F293 HydrophobicContact CD1-CG 4.35Å; L256-F293 HydrophobicContact CD2-CD1 3.83Å; L256-F293 HydrophobicContact CD2-CE1 3.49Å; L256-F293 VanDerWaalsContact CD2-CE1 3.49Å; L256-F293 HydrophobicContact CD2-CE2 4.34Å; L256-F293 HydrophobicContact CD2-CG 4.4Å; L256-F293 HydrophobicContact CD2-CZ 3.72Å; L256-F293 HydrophobicContact CG-CD1 4.13Å; L256-F293 HydrophobicContact CG-CE1 4.29Å; L256-F293 HydrophobicContact CG-CG 4.39Å; L256-F293 WeakPolarHBondContact O-CD2 3.44Å; L256-F293 WeakPolarHBondContact O-CE2 3.16Å; L259-F293 HydrophobicContact CB-CE2 3.86Å; L259-F293 HydrophobicContact CB-CZ 4.11Å; L259-F293 HydrophobicContact CD2-CZ 4.45Å; L286-F293 HydrophobicContact CB-CE1 4.28Å; L286-F293 HydrophobicContact CB-CZ 4.34Å; L286-F293 HydrophobicContact CD2-CZ 4.4Å; Q287-F293 VanDerWaalsContact CD-CZ 3.41Å; Q287-F293 VanDerWaalsContact NE2-CD2 3.29Å; Q287-F293 PolarHBondContact NE2-O 3.45Å; A291-F293 WeakPolarHBondContact O-CD1 3.07Å; F293-A310 WeakPolarHBondContact O-CB 3.44Å | ||
| 294 | A | 94.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | trans | -148.6 | 149.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | F298 K299 D309 | A294-F298 HydrophobicContact CB-CB 4.16Å; A294-K299 HydrophobicContact CB-CG 4.5Å; A294-K299 WeakPolarHBondContact O-CE 3.24Å; A294-D309 HydrophobicContact CB-CB 3.74Å | ||
| 295 | S | 95.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | trans | -66.7 | 166.8 | 173.5 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | N258 Q261 A297 F298 K299 E313 | N258-S295 WeakPolarHBondContact OD1-CB 3.33Å; Q261-S295 PolarHBondContact NE2-OG 3.33Å; S295-A297 PolarHBondContact O-N 2.73Å; S295-A297 VanDerWaalsContact O-N 3.08Å; S295-F298 PolarHBondContact O-N 3.32Å; S295-F298 WeakPolarHBondContact OG-CD2 3.18Å; S295-K299 WeakPolarHBondContact O-CG 3.47Å; S295-K299 PolarHBondContact O-N 3.04Å; S295-K299 VanDerWaalsContact O-N 3.13Å; S295-E313 WeakPolarHBondContact CA-OE1 3.35Å; S295-E313 WeakPolarHBondContact CB-OE1 3.15Å; S295-E313 PolarHBondContact N-OE1 3.18Å; S295-E313 PolarHBondContact OG-OE1 3.04Å | ||
| 296 | A | 96.1 | Very high | 93.2 | Very high | 75 Ų | 75 | 37.4 Ų | 37.4 | 62% | 0.62 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -29.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F298 | A296-F298 VanDerWaalsContact C-N 3.31Å; A296-F298 PolarHBondContact O-N 2.61Å |
| 297 | A | 96.3 | Very high | 93.1 | Very high | 77 Ų | 77 | 37.9 Ų | 37.9 | 64% | 0.636 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -24.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S295 | S295-A297 PolarHBondContact O-N 2.73Å; S295-A297 VanDerWaalsContact O-N 3.08Å |
| 298 | F | 96.6 | Very high | 93.1 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -15.6 | -175.1 | -66.8 | -84.3 | 0 | 0 | 0 | 113.8 | A294 S295 A296 G300 T301 D309 H312 E313 W316 | A294-F298 HydrophobicContact CB-CB 4.16Å; S295-F298 PolarHBondContact O-N 3.32Å; S295-F298 WeakPolarHBondContact OG-CD2 3.18Å; A296-F298 VanDerWaalsContact C-N 3.31Å; A296-F298 PolarHBondContact O-N 2.61Å; F298-G300 PolarHBondContact O-N 3.48Å; F298-T301 WeakPolarHBondContact O-CB 3.44Å; F298-T301 VanDerWaalsContact O-CG2 3.29Å; F298-T301 WeakPolarHBondContact O-CG2 3.46Å; F298-T301 PolarHBondContact O-N 3.04Å; F298-T301 VanDerWaalsContact O-N 3.11Å; F298-T301 PolarHBondContact O-OG1 2.88Å; F298-D309 VanDerWaalsContact O-CB 3.25Å; F298-D309 WeakPolarHBondContact O-CB 3.4Å; F298-H312 HydrophobicContact CD1-CB 3.81Å; F298-H312 HydrophobicContact CE1-CB 4.37Å; F298-E313 HydrophobicContact CB-CB 4.17Å; F298-E313 HydrophobicContact CD1-CB 4.15Å; F298-E313 HydrophobicContact CD2-CB 3.74Å; F298-E313 HydrophobicContact CD2-CG 3.64Å; F298-E313 WeakPolarHBondContact CD2-OE1 3.48Å; F298-E313 HydrophobicContact CE2-CB 4.19Å; F298-E313 HydrophobicContact CE2-CG 3.89Å; F298-E313 HydrophobicContact CG-CB 3.74Å; F298-E313 HydrophobicContact CG-CG 4.18Å; F298-W316 HydrophobicContact CE1-CB 3.81Å; F298-W316 HydrophobicContact CE1-CG 4.4Å; F298-W316 HydrophobicContact CE2-CB 4.28Å; F298-W316 HydrophobicContact CE2-CD2 4.2Å; F298-W316 HydrophobicContact CE2-CE3 4.36Å; F298-W316 HydrophobicContact CE2-CG 4.16Å; F298-W316 HydrophobicContact CZ-CB 3.34Å; F298-W316 HydrophobicContact CZ-CD2 4Å; F298-W316 HydrophobicContact CZ-CE3 4.49Å; F298-W316 AromaticContact CZ-CG 3.48Å; F298-W316 HydrophobicContact CZ-CG 3.48Å; F298-W316 VanDerWaalsContact CZ-CG 3.48Å |
| 299 | K | 95.1 | Very high | 93.2 | Very high | 120 Ų | 120 | 37.9 Ų | 37.9 | 52% | 0.522 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 124.7 | 176.1 | -76 | 177.6 | -172.9 | 174.1 | 0 | 111.4 | A294 S295 T301 D309 | A294-K299 HydrophobicContact CB-CG 4.5Å; A294-K299 WeakPolarHBondContact O-CE 3.24Å; S295-K299 WeakPolarHBondContact O-CG 3.47Å; S295-K299 PolarHBondContact O-N 3.04Å; S295-K299 VanDerWaalsContact O-N 3.13Å; K299-T301 VanDerWaalsContact C-N 3.3Å; K299-D309 WeakPolarHBondContact CA-OD2 3.39Å |
| 300 | G | 94.5 | Very high | 93.4 | Very high | 69 Ų | 69 | 37.1 Ų | 37.1 | 71% | 0.711 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74 | 15.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F298 D309 | F298-G300 PolarHBondContact O-N 3.48Å; G300-D309 VanDerWaalsContact N-CG 3.26Å; G300-D309 PolarHBondContact N-OD1 3.17Å; G300-D309 PolarHBondContact N-OD2 3.17Å |
| 301 | T | 95.2 | Very high | 93.9 | Very high | 68 Ų | 68 | 36.7 Ų | 36.7 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | trans | -84.8 | -19.2 | 177 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | F298 K299 D309 H312 | F298-T301 WeakPolarHBondContact O-CB 3.44Å; F298-T301 VanDerWaalsContact O-CG2 3.29Å; F298-T301 WeakPolarHBondContact O-CG2 3.46Å; F298-T301 PolarHBondContact O-N 3.04Å; F298-T301 VanDerWaalsContact O-N 3.11Å; F298-T301 PolarHBondContact O-OG1 2.88Å; K299-T301 VanDerWaalsContact C-N 3.3Å; T301-D309 PolarHBondContact N-OD1 3.36Å; T301-D309 PolarHBondContact OG1-OD1 3.22Å; T301-H312 PolarHBondContact O-CE1 3.32Å; T301-H312 PolarHBondContact OG1-ND1 3.49Å | ||
| 302 | S | 94 | Very high | 94.3 | Very high | 16 Ų | 16 | 38 Ų | 38 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -108.7 | 146.9 | 179.9 | -167.9 | 0 | 0 | 0 | 0 | 113.3 | L53 H304 G308 D309 | L53-S302 WeakPolarHBondContact CD1-OG 3.37Å; S302-H304 PolarHBondContact O-N 3.08Å; S302-H304 PolarHBondContact OG-N 2.53Å; S302-G308 WeakPolarHBondContact OG-CA 3.42Å; S302-D309 WeakPolarHBondContact CB-OD1 3.35Å; S302-D309 PolarHBondContact N-OD1 3.15Å |
| 303 | S | 90.8 | Very high | 94.8 | Very high | 99 Ų | 99 | 37.7 Ų | 37.7 | 69% | 0.692 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -12.9 | 167.7 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | G305 | S303-G305 VanDerWaalsContact C-N 3.29Å; S303-G305 PolarHBondContact O-N 2.78Å |
| 304 | H | 89.9 | Confident | 95 | Very high | 83 Ų | 83 | 37.3 Ų | 37.3 | 38% | 0.384 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 23.5 | -179 | -63.2 | -79.2 | 0 | 0 | 0 | 112.8 | T52 S302 G308 | T52-H304 PolarHBondContact OG1-NE2 2.89Å; S302-H304 PolarHBondContact O-N 3.08Å; S302-H304 PolarHBondContact OG-N 2.53Å; H304-G308 PolarHBondContact O-N 3.13Å |
| 305 | G | 90.9 | Very high | 95.2 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | 58.7 | -150.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S303 Y307 G308 D309 | S303-G305 VanDerWaalsContact C-N 3.29Å; S303-G305 PolarHBondContact O-N 2.78Å; G305-Y307 PolarHBondContact O-N 2.8Å; G305-G308 PolarHBondContact O-N 3.19Å; G305-G308 VanDerWaalsContact O-N 3.09Å; G305-D309 PolarHBondContact O-N 3.16Å |
| 306 | V | 91.8 | Very high | 95.4 | Very high | 52 Ų | 52 | 39.9 Ų | 39.9 | 32% | 0.315 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -28 | -174.1 | -171.1 | 0 | 0 | 0 | 0 | 112.4 | L292 D309 A310 | L292-V306 HydrophobicContact CB-CB 4.28Å; L292-V306 HydrophobicContact CB-CG1 3.81Å; V306-D309 PolarHBondContact O-N 2.8Å; V306-A310 WeakPolarHBondContact O-CB 3.14Å; V306-A310 PolarHBondContact O-N 2.75Å |
| 307 | Y | 93.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -53.1 | 173.6 | -179.3 | -93.9 | 0 | 0 | 0 | 110.6 | D44 L53 V288 L292 G305 D309 A310 V311 H356 G358 | D44-Y307 VanDerWaalsContact CG-OH 3.32Å; D44-Y307 PolarHBondContact OD2-OH 3.43Å; L53-Y307 HydrophobicContact CD2-CE1 4.47Å; V288-Y307 HydrophobicContact CB-CD2 4.13Å; V288-Y307 HydrophobicContact CB-CE2 3.64Å; V288-Y307 HydrophobicContact CG1-CE2 4.48Å; V288-Y307 HydrophobicContact CG2-CD2 4.3Å; V288-Y307 HydrophobicContact CG2-CE2 3.34Å; V288-Y307 WeakPolarHBondContact CG2-OH 3.36Å; L292-Y307 HydrophobicContact CD1-CD2 4.29Å; L292-Y307 HydrophobicContact CD2-CD2 4.04Å; G305-Y307 PolarHBondContact O-N 2.8Å; Y307-D309 VanDerWaalsContact C-N 3.35Å; Y307-D309 PolarHBondContact O-N 3.17Å; Y307-A310 WeakPolarHBondContact O-CB 3.42Å; Y307-A310 PolarHBondContact O-N 3.36Å; Y307-V311 HydrophobicContact CD1-CG2 4.26Å; Y307-V311 HydrophobicContact CE1-CG2 3.84Å; Y307-V311 PolarHBondContact O-N 3.01Å; Y307-H356 VanDerWaalsContact CD2-O 3.29Å; Y307-H356 WeakPolarHBondContact CD2-O 3.22Å; Y307-G358 WeakPolarHBondContact OH-CA 3.3Å |
| 308 | G | 95.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.5 | -33.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L53 S302 H304 G305 A310 V311 H312 | L53-G308 VanDerWaalsContact CD1-CA 3.42Å; S302-G308 WeakPolarHBondContact OG-CA 3.42Å; H304-G308 PolarHBondContact O-N 3.13Å; G305-G308 PolarHBondContact O-N 3.19Å; G305-G308 VanDerWaalsContact O-N 3.09Å; G308-A310 VanDerWaalsContact C-N 3.28Å; G308-A310 PolarHBondContact O-N 2.7Å; G308-V311 PolarHBondContact O-N 3.02Å; G308-H312 VanDerWaalsContact O-CG 3.32Å; G308-H312 PolarHBondContact O-N 3.21Å |
| 309 | D | 95.8 | Very high | 95.7 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60 | -41.6 | 172.2 | -64.7 | -22.5 | 0 | 0 | 0 | 111 | A294 F298 K299 G300 T301 S302 G305 V306 Y307 H312 E313 | A294-D309 HydrophobicContact CB-CB 3.74Å; F298-D309 VanDerWaalsContact O-CB 3.25Å; F298-D309 WeakPolarHBondContact O-CB 3.4Å; K299-D309 WeakPolarHBondContact CA-OD2 3.39Å; G300-D309 VanDerWaalsContact N-CG 3.26Å; G300-D309 PolarHBondContact N-OD1 3.17Å; G300-D309 PolarHBondContact N-OD2 3.17Å; T301-D309 PolarHBondContact N-OD1 3.36Å; T301-D309 PolarHBondContact OG1-OD1 3.22Å; S302-D309 WeakPolarHBondContact CB-OD1 3.35Å; S302-D309 PolarHBondContact N-OD1 3.15Å; G305-D309 PolarHBondContact O-N 3.16Å; V306-D309 PolarHBondContact O-N 2.8Å; Y307-D309 VanDerWaalsContact C-N 3.35Å; Y307-D309 PolarHBondContact O-N 3.17Å; D309-H312 PolarHBondContact O-N 3.29Å; D309-E313 PolarHBondContact O-N 3.05Å |
| 310 | A | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.3 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q287 V288 F293 V306 Y307 G308 E313 V314 | Q287-A310 HydrophobicContact CG-CB 3.95Å; V288-A310 HydrophobicContact CG1-CB 3.85Å; F293-A310 WeakPolarHBondContact O-CB 3.44Å; V306-A310 WeakPolarHBondContact O-CB 3.14Å; V306-A310 PolarHBondContact O-N 2.75Å; Y307-A310 WeakPolarHBondContact O-CB 3.42Å; Y307-A310 PolarHBondContact O-N 3.36Å; G308-A310 VanDerWaalsContact C-N 3.28Å; G308-A310 PolarHBondContact O-N 2.7Å; A310-E313 PolarHBondContact O-N 3.15Å; A310-V314 WeakPolarHBondContact O-CG2 3.33Å; A310-V314 PolarHBondContact O-N 2.91Å |
| 311 | V | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 173.1 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | L40 L53 T55 V288 Y307 G308 E313 V314 D315 | L40-V311 HydrophobicContact CD1-CG2 4Å; L53-V311 HydrophobicContact CD1-CB 4.27Å; L53-V311 HydrophobicContact CD1-CG1 4.45Å; L53-V311 HydrophobicContact CD2-CB 3.84Å; L53-V311 HydrophobicContact CD2-CG1 3.66Å; L53-V311 HydrophobicContact CD2-CG2 3.88Å; L53-V311 HydrophobicContact CG-CB 4.3Å; L53-V311 HydrophobicContact CG-CG1 4Å; T55-V311 HydrophobicContact CG2-CG1 3.61Å; V288-V311 HydrophobicContact CG1-CG2 3.64Å; V288-V311 HydrophobicContact CG2-CG2 4.5Å; Y307-V311 HydrophobicContact CD1-CG2 4.26Å; Y307-V311 HydrophobicContact CE1-CG2 3.84Å; Y307-V311 PolarHBondContact O-N 3.01Å; G308-V311 PolarHBondContact O-N 3.02Å; V311-E313 VanDerWaalsContact C-N 3.26Å; V311-E313 PolarHBondContact O-N 3.38Å; V311-V314 PolarHBondContact O-N 3.06Å; V311-D315 PolarHBondContact O-N 3.43Å |
| 312 | H | 98.2 | Very high | 96.3 | Very high | 26 Ų | 26 | 21.6 Ų | 21.6 | 12% | 0.12 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.9 | -37.8 | 175.4 | -70.4 | 174.5 | 0 | 0 | 0 | 112 | R54 F298 T301 G308 D309 D315 W316 | R54-H312 PolarHBondContact N-NE2 3.26Å; R54-H312 PolarHBondContact O-CD2 3.01Å; F298-H312 HydrophobicContact CD1-CB 3.81Å; F298-H312 HydrophobicContact CE1-CB 4.37Å; T301-H312 PolarHBondContact O-CE1 3.32Å; T301-H312 PolarHBondContact OG1-ND1 3.49Å; G308-H312 VanDerWaalsContact O-CG 3.32Å; G308-H312 PolarHBondContact O-N 3.21Å; D309-H312 PolarHBondContact O-N 3.29Å; H312-D315 PolarHBondContact O-N 3.18Å; H312-W316 PolarHBondContact O-N 3.24Å |
| 313 | E | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69 | -39 | 177 | -171.8 | 171.8 | -111.3 | 0 | 0 | 112.6 | T260 Q261 S295 F298 D309 A310 V311 W316 S317 | T260-E313 VanDerWaalsContact CB-OE2 3.28Å; T260-E313 WeakPolarHBondContact CB-OE2 2.98Å; T260-E313 HydrophobicContact CG2-CG 3.79Å; T260-E313 PolarHBondContact OG1-OE2 2.85Å; Q261-E313 VanDerWaalsContact NE2-CD 3.31Å; Q261-E313 PolarHBondContact NE2-OE1 3.45Å; Q261-E313 PolarHBondContact OE1-OE1 3.35Å; S295-E313 WeakPolarHBondContact CA-OE1 3.35Å; S295-E313 WeakPolarHBondContact CB-OE1 3.15Å; S295-E313 PolarHBondContact N-OE1 3.18Å; S295-E313 PolarHBondContact OG-OE1 3.04Å; F298-E313 HydrophobicContact CB-CB 4.17Å; F298-E313 HydrophobicContact CD1-CB 4.15Å; F298-E313 HydrophobicContact CD2-CB 3.74Å; F298-E313 HydrophobicContact CD2-CG 3.64Å; F298-E313 WeakPolarHBondContact CD2-OE1 3.48Å; F298-E313 HydrophobicContact CE2-CB 4.19Å; F298-E313 HydrophobicContact CE2-CG 3.89Å; F298-E313 HydrophobicContact CG-CB 3.74Å; F298-E313 HydrophobicContact CG-CG 4.18Å; D309-E313 PolarHBondContact O-N 3.05Å; A310-E313 PolarHBondContact O-N 3.15Å; V311-E313 VanDerWaalsContact C-N 3.26Å; V311-E313 PolarHBondContact O-N 3.38Å; E313-W316 HydrophobicContact CG-CE3 4.42Å; E313-W316 WeakPolarHBondContact O-CB 3.12Å; E313-W316 PolarHBondContact O-N 2.93Å; E313-S317 PolarHBondContact O-N 3.42Å |
| 314 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.5 | -42.8 | 172.6 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L37 Y285 Q287 A310 V311 W316 S317 V318 | L37-V314 HydrophobicContact CD1-CG1 4.32Å; L37-V314 HydrophobicContact CD2-CB 4.16Å; L37-V314 HydrophobicContact CD2-CG1 3.6Å; L37-V314 HydrophobicContact CD2-CG2 4.26Å; L37-V314 HydrophobicContact CG-CG1 4Å; Y285-V314 HydrophobicContact CD1-CG1 4.41Å; Y285-V314 HydrophobicContact CD1-CG2 4.25Å; Y285-V314 HydrophobicContact CD2-CG1 4Å; Y285-V314 HydrophobicContact CE1-CG1 4.27Å; Y285-V314 HydrophobicContact CE2-CG1 3.83Å; Y285-V314 HydrophobicContact CG-CG1 4.27Å; Y285-V314 HydrophobicContact CG-CG2 4.34Å; Q287-V314 HydrophobicContact CB-CG2 3.34Å; Q287-V314 HydrophobicContact CG-CG2 3.92Å; A310-V314 WeakPolarHBondContact O-CG2 3.33Å; A310-V314 PolarHBondContact O-N 2.91Å; V311-V314 PolarHBondContact O-N 3.06Å; V314-W316 VanDerWaalsContact C-N 3.29Å; V314-W316 PolarHBondContact O-N 2.91Å; V314-S317 WeakPolarHBondContact O-CA 3.48Å; V314-S317 WeakPolarHBondContact O-CB 3.23Å; V314-S317 PolarHBondContact O-N 3.18Å; V314-V318 HydrophobicContact CG1-CG2 4.46Å; V314-V318 WeakPolarHBondContact O-CG2 3.28Å; V314-V318 PolarHBondContact O-N 3.44Å |
| 315 | D | 98.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 3% | 0.032 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 175.5 | -178 | 80.7 | 0 | 0 | 0 | 111.7 | T55 P56 N57 I58 V311 H312 S317 V318 G319 | T55-D315 VanDerWaalsContact C-CG 3.5Å; T55-D315 WeakPolarHBondContact CA-OD1 3.36Å; T55-D315 HydrophobicContact CG2-CB 4.4Å; T55-D315 VanDerWaalsContact O-OD1 3.12Å; P56-D315 WeakPolarHBondContact CD-OD2 3.37Å; P56-D315 WeakPolarHBondContact CG-OD2 3.48Å; N57-D315 WeakPolarHBondContact CB-O 3.41Å; N57-D315 PolarHBondContact N-OD1 3.44Å; N57-D315 PolarHBondContact N-OD2 3.04Å; N57-D315 PolarHBondContact ND2-O 2.55Å; N57-D315 PolarHBondContact ND2-OD2 3.02Å; I58-D315 HydrophobicContact CD1-CB 4.28Å; I58-D315 WeakPolarHBondContact CG1-OD1 3.5Å; I58-D315 PolarHBondContact N-OD1 2.85Å; V311-D315 PolarHBondContact O-N 3.43Å; H312-D315 PolarHBondContact O-N 3.18Å; D315-S317 PolarHBondContact O-N 3.05Å; D315-V318 WeakPolarHBondContact O-CB 3.13Å; D315-V318 PolarHBondContact O-N 2.79Å; D315-G319 PolarHBondContact O-N 3.46Å |
| 316 | W | 98.8 | Very high | 97.7 | Very high | 57 Ų | 57 | 20 Ų | 20 | 22% | 0.216 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.5 | -45.1 | 171.5 | 162.7 | 82.5 | 0 | 0 | 0 | 112.5 | Q261 T264 F298 H312 E313 V314 V318 G319 Q320 | Q261-W316 HydrophobicContact CB-CH2 4.29Å; Q261-W316 HydrophobicContact CB-CZ3 4.5Å; Q261-W316 HydrophobicContact CG-CH2 3.78Å; Q261-W316 HydrophobicContact CG-CZ3 3.92Å; T264-W316 HydrophobicContact CG2-CH2 4Å; T264-W316 HydrophobicContact CG2-CZ3 4.09Å; T264-W316 WeakPolarHBondContact OG1-CZ3 3.04Å; F298-W316 HydrophobicContact CE1-CB 3.81Å; F298-W316 HydrophobicContact CE1-CG 4.4Å; F298-W316 HydrophobicContact CE2-CB 4.28Å; F298-W316 HydrophobicContact CE2-CD2 4.2Å; F298-W316 HydrophobicContact CE2-CE3 4.36Å; F298-W316 HydrophobicContact CE2-CG 4.16Å; F298-W316 HydrophobicContact CZ-CB 3.34Å; F298-W316 HydrophobicContact CZ-CD2 4Å; F298-W316 HydrophobicContact CZ-CE3 4.49Å; F298-W316 AromaticContact CZ-CG 3.48Å; F298-W316 HydrophobicContact CZ-CG 3.48Å; F298-W316 VanDerWaalsContact CZ-CG 3.48Å; H312-W316 PolarHBondContact O-N 3.24Å; E313-W316 HydrophobicContact CG-CE3 4.42Å; E313-W316 WeakPolarHBondContact O-CB 3.12Å; E313-W316 PolarHBondContact O-N 2.93Å; V314-W316 VanDerWaalsContact C-N 3.29Å; V314-W316 PolarHBondContact O-N 2.91Å; W316-V318 VanDerWaalsContact C-N 3.33Å; W316-V318 PolarHBondContact O-N 3.47Å; W316-G319 WeakPolarHBondContact O-CA 3.41Å; W316-G319 PolarHBondContact O-N 3Å; W316-G319 VanDerWaalsContact O-N 3.09Å; W316-Q320 HydrophobicContact CD2-CG 4.19Å; W316-Q320 HydrophobicContact CH2-CG 4.25Å; W316-Q320 HydrophobicContact CZ2-CG 3.63Å; W316-Q320 PolarHBondContact O-N 3.2Å |
| 317 | S | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 177.4 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | T264 Y285 E313 V314 D315 G319 Q320 I321 | T264-S317 WeakPolarHBondContact OG1-CB 3.25Å; T264-S317 PolarHBondContact OG1-OG 3.36Å; Y285-S317 WeakPolarHBondContact CE1-OG 3.03Å; Y285-S317 WeakPolarHBondContact OH-CB 3.36Å; Y285-S317 PolarHBondContact OH-OG 2.77Å; E313-S317 PolarHBondContact O-N 3.42Å; V314-S317 WeakPolarHBondContact O-CA 3.48Å; V314-S317 WeakPolarHBondContact O-CB 3.23Å; V314-S317 PolarHBondContact O-N 3.18Å; D315-S317 PolarHBondContact O-N 3.05Å; S317-G319 VanDerWaalsContact C-N 3.3Å; S317-G319 PolarHBondContact O-N 3.09Å; S317-Q320 WeakPolarHBondContact O-CB 3.36Å; S317-Q320 PolarHBondContact O-N 2.87Å; S317-Q320 VanDerWaalsContact O-N 3.11Å; S317-I321 WeakPolarHBondContact O-CG1 3.41Å; S317-I321 PolarHBondContact O-N 3.33Å; S317-I321 VanDerWaalsContact O-N 3.1Å |
| 318 | V | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.8 | -47.3 | 173.1 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | M35 N57 I58 V314 D315 W316 Q320 I321 L322 L338 | M35-V318 HydrophobicContact SD-CG1 4.34Å; M35-V318 HydrophobicContact SD-CG2 3.89Å; N57-V318 HydrophobicContact CB-CB 4.46Å; N57-V318 HydrophobicContact CB-CG1 4.33Å; I58-V318 HydrophobicContact CD1-CG2 4.4Å; I58-V318 HydrophobicContact CG1-CB 4.26Å; I58-V318 HydrophobicContact CG1-CG1 4.23Å; I58-V318 HydrophobicContact CG1-CG2 4.01Å; V314-V318 HydrophobicContact CG1-CG2 4.46Å; V314-V318 WeakPolarHBondContact O-CG2 3.28Å; V314-V318 PolarHBondContact O-N 3.44Å; D315-V318 WeakPolarHBondContact O-CB 3.13Å; D315-V318 PolarHBondContact O-N 2.79Å; W316-V318 VanDerWaalsContact C-N 3.33Å; W316-V318 PolarHBondContact O-N 3.47Å; V318-Q320 VanDerWaalsContact C-N 3.31Å; V318-Q320 PolarHBondContact O-N 3.25Å; V318-I321 WeakPolarHBondContact O-CB 3.38Å; V318-I321 PolarHBondContact O-N 3.21Å; V318-I321 VanDerWaalsContact O-N 3.1Å; V318-L322 HydrophobicContact CG1-CD1 4.22Å; V318-L322 HydrophobicContact CG1-CG 4.32Å; V318-L322 WeakPolarHBondContact O-CG 3.34Å; V318-L322 PolarHBondContact O-N 3.38Å; V318-L338 HydrophobicContact CG2-CD1 3.93Å |
| 319 | G | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.2 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | N57 D315 W316 S317 L322 Q323 | N57-G319 VanDerWaalsContact CG-CA 3.49Å; N57-G319 VanDerWaalsContact OD1-CA 3.28Å; N57-G319 WeakPolarHBondContact OD1-CA 3.18Å; D315-G319 PolarHBondContact O-N 3.46Å; W316-G319 WeakPolarHBondContact O-CA 3.41Å; W316-G319 PolarHBondContact O-N 3Å; W316-G319 VanDerWaalsContact O-N 3.09Å; S317-G319 VanDerWaalsContact C-N 3.3Å; S317-G319 PolarHBondContact O-N 3.09Å; G319-L322 PolarHBondContact O-N 3.45Å; G319-Q323 WeakPolarHBondContact O-CB 3.33Å; G319-Q323 WeakPolarHBondContact O-CG 3.36Å; G319-Q323 PolarHBondContact O-N 3.18Å |
| 320 | Q | 98.9 | Very high | 98.4 | Very high | 51 Ų | 51 | 36.8 Ų | 36.8 | 24% | 0.238 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 175.8 | -65.9 | -56.6 | -79.9 | 0 | 0 | 112.6 | T264 W316 S317 V318 T324 | T264-Q320 HydrophobicContact CG2-CB 3.61Å; T264-Q320 HydrophobicContact CG2-CG 3.94Å; W316-Q320 HydrophobicContact CD2-CG 4.19Å; W316-Q320 HydrophobicContact CH2-CG 4.25Å; W316-Q320 HydrophobicContact CZ2-CG 3.63Å; W316-Q320 PolarHBondContact O-N 3.2Å; S317-Q320 WeakPolarHBondContact O-CB 3.36Å; S317-Q320 PolarHBondContact O-N 2.87Å; S317-Q320 VanDerWaalsContact O-N 3.11Å; V318-Q320 VanDerWaalsContact C-N 3.31Å; V318-Q320 PolarHBondContact O-N 3.25Å; Q320-T324 WeakPolarHBondContact O-CB 3.26Å; Q320-T324 PolarHBondContact O-N 2.9Å; Q320-T324 PolarHBondContact O-OG1 3.39Å |
| 321 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -48.3 | 174.6 | -59.1 | -53.6 | 0 | 0 | 0 | 110.4 | I33 A267 V268 I271 L283 S317 V318 Q323 T324 L325 | I33-I321 HydrophobicContact CD1-CG2 3.85Å; I33-I321 HydrophobicContact CG2-CG2 4.29Å; A267-I321 HydrophobicContact CB-CD1 3.68Å; V268-I321 HydrophobicContact CG2-CD1 4.18Å; I271-I321 HydrophobicContact CD1-CD1 3.99Å; I271-I321 HydrophobicContact CD1-CG2 3.98Å; L283-I321 HydrophobicContact CD2-CD1 4.4Å; L283-I321 HydrophobicContact CD2-CG1 4.23Å; S317-I321 WeakPolarHBondContact O-CG1 3.41Å; S317-I321 PolarHBondContact O-N 3.33Å; S317-I321 VanDerWaalsContact O-N 3.1Å; V318-I321 WeakPolarHBondContact O-CB 3.38Å; V318-I321 PolarHBondContact O-N 3.21Å; V318-I321 VanDerWaalsContact O-N 3.1Å; I321-Q323 PolarHBondContact O-N 2.93Å; I321-T324 WeakPolarHBondContact O-CB 3.49Å; I321-T324 PolarHBondContact O-N 3.49Å; I321-L325 HydrophobicContact CG2-CD1 4.25Å; I321-L325 WeakPolarHBondContact O-CG 3.23Å; I321-L325 PolarHBondContact O-N 2.97Å |
| 322 | L | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -51.5 | 178.6 | -62.7 | -178 | 0 | 0 | 0 | 111.7 | L61 V318 G319 T324 L325 D326 L336 | L61-L322 HydrophobicContact CD1-CD2 4.33Å; V318-L322 HydrophobicContact CG1-CD1 4.22Å; V318-L322 HydrophobicContact CG1-CG 4.32Å; V318-L322 WeakPolarHBondContact O-CG 3.34Å; V318-L322 PolarHBondContact O-N 3.38Å; G319-L322 PolarHBondContact O-N 3.45Å; L322-T324 PolarHBondContact O-N 2.94Å; L322-L325 PolarHBondContact O-N 3.12Å; L322-L325 VanDerWaalsContact O-N 3.12Å; L322-D326 PolarHBondContact O-N 3.31Å; L322-L336 HydrophobicContact CD2-CD1 3.39Å |
| 323 | Q | 98.8 | Very high | 98.3 | Very high | 108 Ų | 108 | 45.8 Ų | 45.8 | 51% | 0.505 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.8 | -35.8 | 178.2 | -71.2 | 169.3 | 23.5 | 0 | 0 | 112.6 | G319 I321 R327 | G319-Q323 WeakPolarHBondContact O-CB 3.33Å; G319-Q323 WeakPolarHBondContact O-CG 3.36Å; G319-Q323 PolarHBondContact O-N 3.18Å; I321-Q323 PolarHBondContact O-N 2.93Å; Q323-R327 VanDerWaalsContact O-CB 3.28Å; Q323-R327 WeakPolarHBondContact O-CB 3.35Å; Q323-R327 PolarHBondContact O-N 2.77Å |
| 324 | T | 98.9 | Very high | 98.3 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.5 | -44.4 | 176.9 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | V268 I271 E272 Q320 I321 L322 D326 R327 L328 | V268-T324 HydrophobicContact CG1-CG2 4.14Å; I271-T324 HydrophobicContact CB-CG2 4.25Å; I271-T324 HydrophobicContact CG2-CG2 3.93Å; E272-T324 HydrophobicContact CG-CG2 4.44Å; Q320-T324 WeakPolarHBondContact O-CB 3.26Å; Q320-T324 PolarHBondContact O-N 2.9Å; Q320-T324 PolarHBondContact O-OG1 3.39Å; I321-T324 WeakPolarHBondContact O-CB 3.49Å; I321-T324 PolarHBondContact O-N 3.49Å; L322-T324 PolarHBondContact O-N 2.94Å; T324-D326 VanDerWaalsContact C-N 3.32Å; T324-D326 PolarHBondContact O-N 2.94Å; T324-R327 PolarHBondContact O-N 3.43Å; T324-L328 HydrophobicContact CG2-CD1 3.7Å; T324-L328 HydrophobicContact CG2-CG 4.44Å; T324-L328 WeakPolarHBondContact O-CB 3.35Å; T324-L328 VanDerWaalsContact O-CG 3.27Å; T324-L328 WeakPolarHBondContact O-CG 3.23Å; T324-L328 PolarHBondContact O-N 3.21Å |
| 325 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | 176.8 | -64.7 | 169.3 | 0 | 0 | 0 | 112.3 | I33 I271 F279 I321 L322 R329 V330 R331 T334 L336 | I33-L325 HydrophobicContact CD1-CD1 3.97Å; I33-L325 HydrophobicContact CD1-CD2 3.78Å; I33-L325 HydrophobicContact CD1-CG 4.26Å; I271-L325 HydrophobicContact CG2-CD2 4.11Å; F279-L325 HydrophobicContact CZ-CD2 4.43Å; I321-L325 HydrophobicContact CG2-CD1 4.25Å; I321-L325 WeakPolarHBondContact O-CG 3.23Å; I321-L325 PolarHBondContact O-N 2.97Å; L322-L325 PolarHBondContact O-N 3.12Å; L322-L325 VanDerWaalsContact O-N 3.12Å; L325-R329 PolarHBondContact O-N 3.39Å; L325-V330 HydrophobicContact CB-CG2 4.44Å; L325-V330 HydrophobicContact CD2-CG2 3.65Å; L325-V330 PolarHBondContact O-N 3.47Å; L325-R331 HydrophobicContact CB-CB 4.24Å; L325-T334 HydrophobicContact CD1-CG2 4.34Å; L325-T334 HydrophobicContact CD2-CG2 4.21Å; L325-L336 HydrophobicContact CD1-CD1 4.38Å; L325-L336 HydrophobicContact CD1-CD2 3.86Å |
| 326 | D | 98.3 | Very high | 98.3 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 45% | 0.449 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.4 | -46.3 | 178.5 | -67.1 | -22.7 | 0 | 0 | 0 | 111.3 | L322 T324 L328 R329 R331 | L322-D326 PolarHBondContact O-N 3.31Å; T324-D326 VanDerWaalsContact C-N 3.32Å; T324-D326 PolarHBondContact O-N 2.94Å; D326-L328 VanDerWaalsContact C-N 3.3Å; D326-L328 PolarHBondContact O-N 3.11Å; D326-R329 PolarHBondContact O-N 3.17Å; D326-R329 VanDerWaalsContact O-N 3.07Å; D326-R331 WeakPolarHBondContact OD1-CB 3.48Å; D326-R331 WeakPolarHBondContact OD1-CG 3.2Å |
| 327 | R | 98.5 | Very high | 98.3 | Very high | 136 Ų | 136 | 42.8 Ų | 42.8 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 176.4 | 177.3 | 176.4 | 54.5 | 90.7 | 0.2 | 112.1 | E272 Q323 T324 R329 | E272-R327 IonicContact OE1-CZ 3.13Å; E272-R327 IonicContact OE1-NH1 2.77Å; E272-R327 PolarHBondContact OE1-NH1 2.75Å; E272-R327 IonicContact OE1-NH2 2.65Å; E272-R327 PolarHBondContact OE1-NH2 3.4Å; Q323-R327 VanDerWaalsContact O-CB 3.28Å; Q323-R327 WeakPolarHBondContact O-CB 3.35Å; Q323-R327 PolarHBondContact O-N 2.77Å; T324-R327 PolarHBondContact O-N 3.43Å; R327-R329 VanDerWaalsContact C-N 3.29Å |
| 328 | L | 98.3 | Very high | 98.3 | Very high | 44 Ų | 44 | 42.8 Ų | 42.8 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -6.4 | 178.8 | -64.4 | 172 | 0 | 0 | 0 | 113.2 | I271 E272 T324 D326 V330 | I271-L328 HydrophobicContact CG2-CD1 3.73Å; E272-L328 HydrophobicContact CG-CD1 4.04Å; T324-L328 HydrophobicContact CG2-CD1 3.7Å; T324-L328 HydrophobicContact CG2-CG 4.44Å; T324-L328 WeakPolarHBondContact O-CB 3.35Å; T324-L328 VanDerWaalsContact O-CG 3.27Å; T324-L328 WeakPolarHBondContact O-CG 3.23Å; T324-L328 PolarHBondContact O-N 3.21Å; D326-L328 VanDerWaalsContact C-N 3.3Å; D326-L328 PolarHBondContact O-N 3.11Å; L328-V330 VanDerWaalsContact C-N 3.26Å; L328-V330 HydrophobicContact CB-CG2 4.07Å; L328-V330 PolarHBondContact O-N 3.08Å |
| 329 | R | 97.4 | Very high | 98.3 | Very high | 227 Ų | 227 | 42.7 Ų | 42.7 | 86% | 0.857 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 36.5 | -178.8 | -55 | -178.9 | 179.3 | 178.9 | -1.3 | 113.8 | L325 D326 R327 | L325-R329 PolarHBondContact O-N 3.39Å; D326-R329 PolarHBondContact O-N 3.17Å; D326-R329 VanDerWaalsContact O-N 3.07Å; R327-R329 VanDerWaalsContact C-N 3.29Å |
| 330 | V | 97.3 | Very high | 98.3 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | trans | -108.6 | 1.5 | 176.1 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | L325 L328 E332 N333 T334 | L325-V330 HydrophobicContact CB-CG2 4.44Å; L325-V330 HydrophobicContact CD2-CG2 3.65Å; L325-V330 PolarHBondContact O-N 3.47Å; L328-V330 VanDerWaalsContact C-N 3.26Å; L328-V330 HydrophobicContact CB-CG2 4.07Å; L328-V330 PolarHBondContact O-N 3.08Å; V330-E332 PolarHBondContact O-N 2.82Å; V330-N333 CarbonylContact O-C 3.55Å; V330-N333 PolarHBondContact O-N 2.81Å; V330-N333 VanDerWaalsContact O-N 3.1Å; V330-T334 PolarHBondContact O-N 3.1Å; V330-T334 PolarHBondContact O-OG1 3.04Å | ||
| 331 | R | 96.6 | Very high | 98.3 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 6% | 0.06 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -52.5 | -47.2 | -179.3 | -179.4 | 63.9 | 178 | 167.5 | -2.4 | 113.6 | E64 L325 D326 N333 T334 L336 P384 | E64-R331 IonicContact OE2-CZ 3.95Å; E64-R331 IonicContact OE2-NE 2.82Å; E64-R331 IonicContact OE2-NH2 3.75Å; E64-R331 PolarHBondContact OE2-NH2 3.15Å; L325-R331 HydrophobicContact CB-CB 4.24Å; D326-R331 WeakPolarHBondContact OD1-CB 3.48Å; D326-R331 WeakPolarHBondContact OD1-CG 3.2Å; R331-N333 PolarHBondContact O-N 2.98Å; R331-T334 PolarHBondContact O-N 3.12Å; R331-L336 VanDerWaalsContact NH1-CG 3.31Å; R331-P384 HydrophobicContact CG-CG 4.11Å |
| 332 | E | 96 | Very high | 98.2 | Very high | 154 Ų | 154 | 40.2 Ų | 40.2 | 72% | 0.72 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | -70.4 | -18.1 | -178.6 | -62.9 | 179.9 | 176.2 | 0 | 0 | 113.6 | V330 W383 P384 | V330-E332 PolarHBondContact O-N 2.82Å; E332-W383 VanDerWaalsContact O-CD1 3.3Å; E332-W383 PolarHBondContact O-NE1 3.23Å; E332-P384 HydrophobicContact CG-CB 4.46Å |
| 333 | N | 97.3 | Very high | 98.2 | Very high | 45 Ų | 45 | 40 Ų | 40 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -105.7 | 20.1 | 176.3 | -168.4 | 54.4 | 0 | 0 | 0 | 112.3 | I28 K29 P30 N31 V330 R331 | I28-N333 WeakPolarHBondContact CG2-ND2 3.38Å; I28-N333 WeakPolarHBondContact CG2-OD1 3.42Å; K29-N333 PolarHBondContact O-ND2 3.18Å; K29-N333 VanDerWaalsContact O-ND2 3.11Å; P30-N333 CarbonylContact C-O 3.59Å; P30-N333 WeakPolarHBondContact CA-O 3.47Å; N31-N333 PolarHBondContact N-O 2.69Å; V330-N333 CarbonylContact O-C 3.55Å; V330-N333 PolarHBondContact O-N 2.81Å; V330-N333 VanDerWaalsContact O-N 3.1Å; R331-N333 PolarHBondContact O-N 2.98Å |
| 334 | T | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 119.7 | -176.4 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | N31 I33 L325 V330 R331 L336 | N31-T334 HydrophobicContact CB-CG2 3.89Å; N31-T334 PolarHBondContact ND2-OG1 2.77Å; N31-T334 WeakPolarHBondContact O-CA 3.36Å; I33-T334 HydrophobicContact CD1-CG2 4.04Å; I33-T334 HydrophobicContact CG1-CG2 3.98Å; L325-T334 HydrophobicContact CD1-CG2 4.34Å; L325-T334 HydrophobicContact CD2-CG2 4.21Å; V330-T334 PolarHBondContact O-N 3.1Å; V330-T334 PolarHBondContact O-OG1 3.04Å; R331-T334 PolarHBondContact O-N 3.12Å; T334-L336 HydrophobicContact CG2-CD2 3.8Å |
| 335 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 120.1 | 166.4 | 175 | 63.2 | 0 | 0 | 0 | 109.1 | N31 F32 I33 L381 W383 I387 T405 L409 | N31-L335 PolarHBondContact O-N 3.3Å; F32-L335 HydrophobicContact CD1-CB 4.1Å; F32-L335 HydrophobicContact CD1-CD2 4.1Å; F32-L335 HydrophobicContact CE1-CD2 4.25Å; I33-L335 PolarHBondContact N-O 3.27Å; L335-L381 HydrophobicContact CD1-CD2 4.47Å; L335-W383 HydrophobicContact CB-CD2 4.15Å; L335-W383 HydrophobicContact CB-CE3 3.9Å; L335-W383 HydrophobicContact CB-CG 4.5Å; L335-W383 HydrophobicContact CB-CZ3 4.47Å; L335-W383 HydrophobicContact CD1-CB 4.03Å; L335-W383 HydrophobicContact CD1-CE3 4.11Å; L335-W383 HydrophobicContact CG-CE3 4.43Å; L335-I387 HydrophobicContact CD1-CD1 3.89Å; L335-T405 HydrophobicContact CD2-CG2 4.44Å; L335-L409 HydrophobicContact CD2-CD1 3.64Å |
| 336 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 138.9 | 168.4 | -64.8 | -155.8 | 0 | 0 | 0 | 111.3 | I33 M35 L61 L322 L325 R331 T334 L381 S382 | I33-L336 HydrophobicContact CB-CD2 3.52Å; I33-L336 HydrophobicContact CD1-CD2 4.03Å; I33-L336 HydrophobicContact CG1-CD2 4.12Å; I33-L336 HydrophobicContact CG2-CD2 4.07Å; I33-L336 WeakPolarHBondContact O-CA 3.36Å; M35-L336 HydrophobicContact CE-CD1 4.14Å; L61-L336 HydrophobicContact CD1-CB 4.05Å; L61-L336 HydrophobicContact CD1-CD1 3.48Å; L61-L336 VanDerWaalsContact CD1-CD1 3.48Å; L61-L336 HydrophobicContact CD1-CG 4.32Å; L61-L336 HydrophobicContact CD2-CD1 4.46Å; L322-L336 HydrophobicContact CD2-CD1 3.39Å; L325-L336 HydrophobicContact CD1-CD1 4.38Å; L325-L336 HydrophobicContact CD1-CD2 3.86Å; R331-L336 VanDerWaalsContact NH1-CG 3.31Å; T334-L336 HydrophobicContact CG2-CD2 3.8Å; L336-L381 CarbonylContact O-C 3.52Å; L336-L381 VanDerWaalsContact O-CA 3.27Å; L336-L381 WeakPolarHBondContact O-CA 3.43Å; L336-S382 PolarHBondContact N-O 2.87Å; L336-S382 PolarHBondContact O-N 3.2Å |
| 337 | Y | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 133.6 | 168.4 | 170.6 | -118.2 | 0 | 0 | 0 | 110 | I33 L34 M35 H71 F85 T339 I380 L381 N399 L402 | I33-Y337 PolarHBondContact O-N 3.38Å; L34-Y337 HydrophobicContact CD2-CD1 4.31Å; M35-Y337 PolarHBondContact N-O 2.96Å; H71-Y337 AromaticContact NE2-CE2 3.67Å; H71-Y337 AromaticContact NE2-CZ 3.63Å; H71-Y337 PolarHBondContact NE2-OH 3.27Å; F85-Y337 HydrophobicContact CD2-CE1 4.45Å; F85-Y337 HydrophobicContact CE2-CD1 4.14Å; F85-Y337 AromaticContact CE2-CE1 3.56Å; F85-Y337 HydrophobicContact CE2-CE1 3.56Å; F85-Y337 HydrophobicContact CZ-CD1 4.37Å; F85-Y337 HydrophobicContact CZ-CE1 4.15Å; Y337-T339 HydrophobicContact CD1-CG2 4.3Å; Y337-T339 HydrophobicContact CE1-CG2 3.33Å; Y337-T339 HydrophobicContact CE2-CG2 4.45Å; Y337-T339 VanDerWaalsContact CZ-CB 3.41Å; Y337-T339 VanDerWaalsContact CZ-CG2 3.47Å; Y337-T339 VanDerWaalsContact OH-CB 3.28Å; Y337-T339 WeakPolarHBondContact OH-CB 3.32Å; Y337-T339 VanDerWaalsContact OH-CG2 3.31Å; Y337-T339 WeakPolarHBondContact OH-CG2 3.37Å; Y337-T339 PolarHBondContact OH-OG1 3.01Å; Y337-I380 CarbonylContact C-O 3.57Å; Y337-I380 VanDerWaalsContact CA-O 3.3Å; Y337-I380 WeakPolarHBondContact CA-O 3.48Å; Y337-L381 HydrophobicContact CD2-CD1 3.7Å; Y337-L381 HydrophobicContact CD2-CD2 4.37Å; Y337-L381 HydrophobicContact CD2-CG 3.77Å; Y337-L381 HydrophobicContact CE2-CD1 4.04Å; Y337-N399 PolarHBondContact OH-OD1 2.99Å; Y337-N399 VanDerWaalsContact OH-OD1 3.04Å; Y337-L402 HydrophobicContact CD1-CD2 3.64Å; Y337-L402 HydrophobicContact CD1-CG 3.76Å; Y337-L402 HydrophobicContact CD2-CD2 3.56Å; Y337-L402 HydrophobicContact CD2-CG 4.5Å; Y337-L402 HydrophobicContact CE1-CD2 3.6Å; Y337-L402 HydrophobicContact CE1-CG 3.9Å; Y337-L402 HydrophobicContact CE2-CD2 3.49Å; Y337-L402 VanDerWaalsContact CE2-CD2 3.49Å; Y337-L402 HydrophobicContact CG-CD2 3.58Å; Y337-L402 HydrophobicContact CG-CG 4.04Å; Y337-L402 VanDerWaalsContact CZ-CD2 3.48Å |
| 338 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.5 | 172 | -172 | 148.8 | 0 | 0 | 0 | 110.6 | M35 L37 L45 I58 L61 V318 I380 | M35-L338 HydrophobicContact CB-CB 4.39Å; M35-L338 HydrophobicContact CB-CD1 4.43Å; M35-L338 HydrophobicContact CB-CG 4.31Å; M35-L338 HydrophobicContact CE-CB 4.35Å; M35-L338 HydrophobicContact CE-CD1 4.4Å; M35-L338 CarbonylContact O-C 3.51Å; M35-L338 VanDerWaalsContact O-CA 3.3Å; M35-L338 WeakPolarHBondContact O-CA 3.47Å; L37-L338 HydrophobicContact CD1-CD1 4.32Å; L37-L338 HydrophobicContact CD1-CD2 3.97Å; L37-L338 HydrophobicContact CD1-CG 4.06Å; L45-L338 HydrophobicContact CD1-CD2 4.35Å; I58-L338 HydrophobicContact CD1-CD1 4.08Å; I58-L338 HydrophobicContact CG1-CD1 3.85Å; I58-L338 HydrophobicContact CG2-CD1 4.12Å; I58-L338 HydrophobicContact CG2-CD2 4.23Å; L61-L338 HydrophobicContact CD2-CB 3.98Å; L61-L338 HydrophobicContact CD2-CD1 4.36Å; V318-L338 HydrophobicContact CG2-CD1 3.93Å; L338-I380 HydrophobicContact CB-CB 4.34Å; L338-I380 HydrophobicContact CD2-CD1 4.27Å; L338-I380 PolarHBondContact N-O 3.19Å; L338-I380 PolarHBondContact O-N 2.99Å |
| 339 | T | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | -176.7 | 177 | -163.7 | 0 | 0 | 0 | 0 | 112.9 | M35 M36 L37 Y337 P378 N399 | M35-T339 PolarHBondContact O-N 3.07Å; M36-T339 WeakPolarHBondContact CA-O 3.38Å; M36-T339 HydrophobicContact CB-CG2 4.37Å; M36-T339 HydrophobicContact CE-CG2 3.82Å; M36-T339 HydrophobicContact CG-CG2 4.26Å; L37-T339 WeakPolarHBondContact CD1-O 3.38Å; L37-T339 PolarHBondContact N-O 2.62Å; Y337-T339 HydrophobicContact CD1-CG2 4.3Å; Y337-T339 HydrophobicContact CE1-CG2 3.33Å; Y337-T339 HydrophobicContact CE2-CG2 4.45Å; Y337-T339 VanDerWaalsContact CZ-CB 3.41Å; Y337-T339 VanDerWaalsContact CZ-CG2 3.47Å; Y337-T339 VanDerWaalsContact OH-CB 3.28Å; Y337-T339 WeakPolarHBondContact OH-CB 3.32Å; Y337-T339 VanDerWaalsContact OH-CG2 3.31Å; Y337-T339 WeakPolarHBondContact OH-CG2 3.37Å; Y337-T339 PolarHBondContact OH-OG1 3.01Å; T339-P378 VanDerWaalsContact CA-O 3.25Å; T339-P378 WeakPolarHBondContact CA-O 3.43Å; T339-P378 VanDerWaalsContact CB-O 3.31Å; T339-P378 WeakPolarHBondContact CB-O 3.09Å; T339-P378 PolarHBondContact OG1-O 3.5Å; T339-N399 PolarHBondContact OG1-OD1 3.22Å |
| 340 | S | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 150.8 | 163.8 | -168.2 | 0 | 0 | 0 | 0 | 109.8 | L37 L40 Q342 N399 | L37-S340 WeakPolarHBondContact O-CA 3.37Å; L40-S340 PolarHBondContact N-OG 2.75Å; L40-S340 VanDerWaalsContact O-CB 3.3Å; L40-S340 WeakPolarHBondContact O-CB 3.41Å; L40-S340 PolarHBondContact O-OG 2.97Å; S340-Q342 VanDerWaalsContact C-N 3.3Å; S340-Q342 WeakPolarHBondContact CB-O 3.26Å; S340-Q342 PolarHBondContact OG-O 2.99Å; S340-N399 PolarHBondContact O-ND2 3.37Å; S340-N399 VanDerWaalsContact O-ND2 3.08Å |
| 341 | D | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -66.1 | -33.6 | 173.2 | 59.9 | -8.9 | 0 | 0 | 0 | 112.1 | M36 L37 D38 D39 A73 C78 S81 R82 | M36-D341 HydrophobicContact CG-CB 4.14Å; M36-D341 HydrophobicContact SD-CB 3.72Å; L37-D341 PolarHBondContact O-N 2.77Å; D38-D341 WeakPolarHBondContact CA-OD1 3.4Å; D38-D341 VanDerWaalsContact OD1-OD2 3.06Å; D39-D341 PolarHBondContact N-OD1 3.42Å; A73-D341 WeakPolarHBondContact CB-O 3.41Å; C78-D341 WeakPolarHBondContact CB-OD2 3.37Å; S81-D341 WeakPolarHBondContact CB-O 3.43Å; S81-D341 PolarHBondContact OG-O 2.86Å; R82-D341 HydrophobicContact CG-CB 4.23Å; R82-D341 IonicContact CZ-OD2 3.89Å; R82-D341 IonicContact NE-OD2 2.75Å; R82-D341 PolarHBondContact NE-OD2 3.46Å; R82-D341 IonicContact NH2-OD2 3.44Å; R82-D341 PolarHBondContact NH2-OD2 2.83Å |
| 342 | Q | 98.5 | Very high | 92 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -157.8 | -180 | 170.4 | 58.9 | -82.1 | -21.7 | 0 | 0 | 110.7 | D39 L77 C78 S340 K367 V377 | D39-Q342 PolarHBondContact OD1-NE2 3.26Å; L77-Q342 PolarHBondContact O-OE1 3.15Å; C78-Q342 VanDerWaalsContact CA-OE1 3.24Å; C78-Q342 VanDerWaalsContact N-OE1 3.14Å; C78-Q342 PolarHBondContact SG-NE2 2.9Å; S340-Q342 VanDerWaalsContact C-N 3.3Å; S340-Q342 WeakPolarHBondContact CB-O 3.26Å; S340-Q342 PolarHBondContact OG-O 2.99Å; Q342-K367 HydrophobicContact CG-CG 4.21Å; Q342-V377 VanDerWaalsContact C-CG1 3.47Å |
| 343 | G | 97.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -71.1 | 173.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | G373 G374 | G343-G373 WeakPolarHBondContact CA-O 3.14Å; G343-G374 PolarHBondContact N-O 3.11Å; G343-G374 VanDerWaalsContact N-O 3.11Å | ||
| 344 | A | 96.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -67.4 | 148.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D39 L346 G358 N360 G366 K367 | D39-A344 VanDerWaalsContact O-CA 3.3Å; D39-A344 WeakPolarHBondContact O-CA 3.19Å; A344-L346 PolarHBondContact O-N 3.42Å; A344-G358 VanDerWaalsContact CB-CA 3.48Å; A344-N360 WeakPolarHBondContact CB-OD1 3.46Å; A344-N360 PolarHBondContact N-OD1 3.11Å; A344-G366 CarbonylContact O-C 3.54Å; A344-G366 VanDerWaalsContact O-CA 3.29Å; A344-G366 WeakPolarHBondContact O-CA 3.5Å; A344-K367 PolarHBondContact O-N 3.11Å | ||
| 345 | H | 94.6 | Very high | 88.7 | Confident | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.046 | 19% | 0.191 | C | C | . | . | trans | -83.7 | 96.3 | 176.3 | -165.8 | 173.7 | 0 | 0 | 0 | 111.7 | E347 E348 G357 K367 H484 | H345-E347 IonicContact CD2-OE2 3.82Å; H345-E347 PolarHBondContact CD2-OE2 3.49Å; H345-E347 VanDerWaalsContact CD2-OE2 3.28Å; H345-E347 IonicContact NE2-OE2 3.27Å; H345-E348 HydrophobicContact CB-CB 4.34Å; H345-E348 IonicContact CE1-OE2 2.79Å; H345-E348 IonicContact ND1-OE2 3.77Å; H345-E348 WeakPolarHBondContact O-CB 3Å; H345-G357 WeakPolarHBondContact O-CA 3.33Å; H345-K367 HydrophobicContact CB-CB 4.19Å; H345-K367 HydrophobicContact CB-CD 3.76Å; H345-H484 AromaticContact CE1-CE1 3.46Å; H345-H484 PolarHBondContact CE1-CE1 2.73Å; H345-H484 VanDerWaalsContact CE1-CE1 3.46Å; H345-H484 AromaticContact CE1-NE2 3.61Å; H345-H484 AromaticContact NE2-NE2 3.97Å; H345-H484 PolarHBondContact NE2-O 3.08Å | ||
| 346 | L | 93.6 | Very high | 87.7 | Confident | 34 Ų | 34 | 30.7 Ų | 30.7 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -28.2 | -174.6 | -58.6 | -173.5 | 0 | 0 | 0 | 113.9 | A344 E348 G358 A365 T479 | A344-L346 PolarHBondContact O-N 3.42Å; L346-E348 PolarHBondContact O-N 3.26Å; L346-G358 WeakPolarHBondContact CD2-O 3.47Å; L346-A365 VanDerWaalsContact CD1-C 3.4Å; L346-A365 WeakPolarHBondContact CD1-O 3.34Å; L346-T479 HydrophobicContact CB-CG2 3.69Å; L346-T479 HydrophobicContact CD1-CG2 4.09Å |
| 347 | E | 90.6 | Very high | 86.7 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 0.6 | -178.8 | -62.7 | 80.2 | 179.3 | 0 | 0 | 113.5 | H345 L349 T479 C480 F481 H484 | H345-E347 IonicContact CD2-OE2 3.82Å; H345-E347 PolarHBondContact CD2-OE2 3.49Å; H345-E347 VanDerWaalsContact CD2-OE2 3.28Å; H345-E347 IonicContact NE2-OE2 3.27Å; E347-L349 PolarHBondContact O-N 3.29Å; E347-T479 WeakPolarHBondContact OE1-CA 3.34Å; E347-C480 PolarHBondContact OE1-N 3.01Å; E347-F481 VanDerWaalsContact CA-CE1 3.48Å; E347-F481 HydrophobicContact CB-CD1 4.16Å; E347-F481 HydrophobicContact CB-CE1 4.29Å; E347-F481 HydrophobicContact CG-CD1 4.47Å; E347-H484 WeakPolarHBondContact CB-O 3.37Å |
| 348 | E | 86.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 32 Ų | 32 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | trans | -76.7 | 114.2 | -174.9 | -173.8 | 61.1 | -165.4 | 0 | 0 | 111.2 | R171 T290 H345 L346 V355 H356 H484 | R171-E348 IonicContact CZ-OE1 3.28Å; R171-E348 IonicContact CZ-OE2 3.89Å; R171-E348 IonicContact NE-OE1 2.72Å; R171-E348 PolarHBondContact NE-OE1 2.94Å; R171-E348 IonicContact NE-OE2 3.14Å; R171-E348 PolarHBondContact NE-OE2 3.22Å; R171-E348 IonicContact NH2-OE1 2.75Å; R171-E348 PolarHBondContact NH2-OE1 2.94Å; R171-E348 IonicContact NH2-OE2 3.98Å; R171-E348 PolarHBondContact NH2-OE2 3.35Å; T290-E348 WeakPolarHBondContact CB-OE1 3.41Å; T290-E348 WeakPolarHBondContact CG2-OE1 3.19Å; T290-E348 PolarHBondContact OG1-OE1 2.95Å; H345-E348 HydrophobicContact CB-CB 4.34Å; H345-E348 IonicContact CE1-OE2 2.79Å; H345-E348 IonicContact ND1-OE2 3.77Å; H345-E348 WeakPolarHBondContact O-CB 3Å; L346-E348 PolarHBondContact O-N 3.26Å; E348-V355 CarbonylContact O-C 3.58Å; E348-V355 WeakPolarHBondContact O-CA 3.36Å; E348-H356 HydrophobicContact CG-CB 4.08Å; E348-H356 PolarHBondContact O-N 2.87Å; E348-H484 IonicContact OE2-CE1 3.45Å; E348-H484 PolarHBondContact OE2-CE1 2.84Å; E348-H484 IonicContact OE2-NE2 2.79Å; E348-H484 PolarHBondContact OE2-NE2 3.48Å | ||
| 349 | L | 81.8 | Confident | 86.1 | Confident | 55 Ų | 55 | 38 Ų | 38 | 29% | 0.288 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -117.1 | 144.1 | -178.6 | -59.8 | 176.4 | 0 | 0 | 0 | 112.4 | R171 E347 Q354 V355 F481 | R171-L349 PolarHBondContact NH2-O 3.23Å; E347-L349 PolarHBondContact O-N 3.29Å; L349-Q354 CarbonylContact C-O 3.59Å; L349-Q354 WeakPolarHBondContact CA-O 3.22Å; L349-V355 HydrophobicContact CD2-CB 4.46Å; L349-V355 HydrophobicContact CD2-CG2 3.77Å; L349-F481 HydrophobicContact CD1-CD1 3.88Å; L349-F481 HydrophobicContact CD1-CE1 3.97Å; L349-F481 HydrophobicContact CD2-CD1 4.45Å; L349-F481 HydrophobicContact CD2-CE1 3.69Å; L349-F481 HydrophobicContact CD2-CZ 4.45Å; L349-F481 HydrophobicContact CG-CD1 4.16Å; L349-F481 HydrophobicContact CG-CE1 3.82Å |
| 350 | T | 73.4 | Confident | 86 | Confident | 30 Ų | 30 | 38.2 Ų | 38.2 | 18% | 0.184 | 24% | 0.238 | C | C | . | . | trans | -65.5 | 167.6 | 165 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | A352 G353 Q354 H356 | T350-A352 PolarHBondContact O-N 3.5Å; T350-A352 PolarHBondContact OG1-N 3.38Å; T350-G353 PolarHBondContact O-N 3.44Å; T350-G353 PolarHBondContact OG1-N 2.96Å; T350-G353 VanDerWaalsContact OG1-N 3.09Å; T350-Q354 HydrophobicContact CG2-CB 4.31Å; T350-Q354 PolarHBondContact N-O 3.05Å; T350-Q354 WeakPolarHBondContact OG1-CB 3.25Å; T350-Q354 PolarHBondContact OG1-N 2.8Å; T350-Q354 PolarHBondContact OG1-O 2.95Å; T350-H356 WeakPolarHBondContact CG2-CD2 2.98Å; T350-H356 WeakPolarHBondContact CG2-CE1 3.42Å; T350-H356 VanDerWaalsContact CG2-CG 3.46Å; T350-H356 WeakPolarHBondContact CG2-ND1 3.42Å; T350-H356 WeakPolarHBondContact CG2-NE2 3.29Å | ||
| 351 | A | 66.3 | Low | 85.9 | Confident | 106 Ų | 106 | 39.2 Ų | 39.2 | 88% | 0.876 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -27.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G353 | A351-G353 VanDerWaalsContact C-N 3.35Š|
| 352 | A | 68.6 | Low | 85.8 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 69% | 0.686 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 0.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T350 | T350-A352 PolarHBondContact O-N 3.5Å; T350-A352 PolarHBondContact OG1-N 3.38Å |
| 353 | G | 71.1 | Confident | 85.8 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 53% | 0.526 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 81.3 | 6.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | T350 A351 | T350-G353 PolarHBondContact O-N 3.44Å; T350-G353 PolarHBondContact OG1-N 2.96Å; T350-G353 VanDerWaalsContact OG1-N 3.09Å; A351-G353 VanDerWaalsContact C-N 3.35Å |
| 354 | Q | 74.9 | Confident | 85.8 | Confident | 132 Ų | 132 | 48.7 Ų | 48.7 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | trans | -79.8 | 142.6 | 173.3 | -61.8 | 176.3 | -28.5 | 0 | 0 | 111.5 | L349 T350 | L349-Q354 CarbonylContact C-O 3.59Å; L349-Q354 WeakPolarHBondContact CA-O 3.22Å; T350-Q354 HydrophobicContact CG2-CB 4.31Å; T350-Q354 PolarHBondContact N-O 3.05Å; T350-Q354 WeakPolarHBondContact OG1-CB 3.25Å; T350-Q354 PolarHBondContact OG1-N 2.8Å; T350-Q354 PolarHBondContact OG1-O 2.95Å | ||
| 355 | V | 76.6 | Confident | 85.8 | Confident | 92 Ų | 92 | 48.8 Ų | 48.8 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | B | Isolated β-bridge | trans | -70 | 129.9 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | E348 L349 | E348-V355 CarbonylContact O-C 3.58Å; E348-V355 WeakPolarHBondContact O-CA 3.36Å; L349-V355 HydrophobicContact CD2-CB 4.46Å; L349-V355 HydrophobicContact CD2-CG2 3.77Å |
| 356 | H | 76.5 | Confident | 85.9 | Confident | 41 Ų | 41 | 48.3 Ų | 48.3 | 19% | 0.19 | 29% | 0.291 | C | S | . | . | trans | -113.4 | -3 | -178.9 | -93.9 | -147.1 | 0 | 0 | 0 | 113.3 | L292 Y307 E348 T350 | L292-H356 HydrophobicContact CD1-CB 3.8Å; L292-H356 WeakPolarHBondContact CD1-O 3.36Å; Y307-H356 VanDerWaalsContact CD2-O 3.29Å; Y307-H356 WeakPolarHBondContact CD2-O 3.22Å; E348-H356 HydrophobicContact CG-CB 4.08Å; E348-H356 PolarHBondContact O-N 2.87Å; T350-H356 WeakPolarHBondContact CG2-CD2 2.98Å; T350-H356 WeakPolarHBondContact CG2-CE1 3.42Å; T350-H356 VanDerWaalsContact CG2-CG 3.46Å; T350-H356 WeakPolarHBondContact CG2-ND1 3.42Å; T350-H356 WeakPolarHBondContact CG2-NE2 3.29Å | ||
| 357 | G | 78.8 | Confident | 86.1 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | trans | -72 | 170.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | H345 | H345-G357 WeakPolarHBondContact O-CA 3.33Š| ||
| 358 | G | 91.3 | Very high | 86.4 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 9% | 0.093 | 29% | 0.286 | C | S | . | . | trans | -79.5 | -178.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D44 Y307 A344 L346 | D44-G358 WeakPolarHBondContact OD2-CA 3.46Å; Y307-G358 WeakPolarHBondContact OH-CA 3.3Å; A344-G358 VanDerWaalsContact CB-CA 3.48Å; L346-G358 WeakPolarHBondContact CD2-O 3.47Å | ||
| 359 | W | 94.5 | Very high | 86.9 | Confident | 125 Ų | 125 | 47 Ų | 47 | 47% | 0.473 | 29% | 0.285 | S | S | . | . | trans | -117.9 | 126.8 | -178.4 | -179.4 | 49.2 | 0 | 0 | 0 | 111.6 | G41 G43 D44 N50 G361 | G41-W359 CarbonylContact C-O 3.55Å; G41-W359 WeakPolarHBondContact CA-O 3.45Å; G43-W359 CarbonylContact C-O 3.59Å; G43-W359 WeakPolarHBondContact CA-O 3.27Å; G43-W359 PolarHBondContact N-O 2.74Å; G43-W359 WeakPolarHBondContact O-CZ3 3.33Å; D44-W359 PolarHBondContact N-O 3Å; D44-W359 WeakPolarHBondContact OD1-CB 3.28Å; D44-W359 PolarHBondContact OD1-N 3.2Å; D44-W359 PolarHBondContact OD2-N 3.47Å; N50-W359 HydrophobicContact CB-CZ3 4.43Å; W359-G361 VanDerWaalsContact C-N 3.34Å; W359-G361 VanDerWaalsContact CZ2-CA 3.45Å; W359-G361 PolarHBondContact NE1-O 3.2Å | ||
| 360 | N | 97.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | trans | -95.1 | 21.9 | 178.5 | -61 | -42.3 | 0 | 0 | 0 | 112.8 | G41 A344 I362 Y363 A365 G366 G373 | G41-N360 WeakPolarHBondContact CA-OD1 3.38Å; A344-N360 WeakPolarHBondContact CB-OD1 3.46Å; A344-N360 PolarHBondContact N-OD1 3.11Å; N360-I362 PolarHBondContact O-N 3.02Å; N360-Y363 WeakPolarHBondContact O-CB 3.32Å; N360-Y363 WeakPolarHBondContact O-CD2 3.13Å; N360-Y363 PolarHBondContact O-N 2.03Å; N360-Y363 VanDerWaalsContact O-N 3.13Å; N360-A365 PolarHBondContact ND2-O 3.16Å; N360-G366 WeakPolarHBondContact ND2-CA 3.45Å; N360-G373 PolarHBondContact ND2-O 2.93Å; N360-G373 PolarHBondContact OD1-O 3.4Å | ||
| 361 | G | 95.8 | Very high | 88.9 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | -133.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W359 Y363 | W359-G361 VanDerWaalsContact C-N 3.34Å; W359-G361 VanDerWaalsContact CZ2-CA 3.45Å; W359-G361 PolarHBondContact NE1-O 3.2Å; G361-Y363 VanDerWaalsContact C-N 3.26Å |
| 362 | I | 96.7 | Very high | 90.4 | Very high | 109 Ų | 109 | 38.3 Ų | 38.3 | 56% | 0.559 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -9.3 | 175.2 | 66 | 176.3 | 0 | 0 | 0 | 113.1 | N360 P508 S509 | N360-I362 PolarHBondContact O-N 3.02Å; I362-P508 HydrophobicContact CD1-CB 4.05Å; I362-P508 HydrophobicContact CD1-CG 3.64Å; I362-S509 WeakPolarHBondContact O-CA 3.34Å; I362-S509 VanDerWaalsContact O-CB 3.28Å; I362-S509 WeakPolarHBondContact O-CB 3.48Å |
| 363 | Y | 98.2 | Very high | 91.8 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 17% | 0.173 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -81.8 | 144.9 | -170.7 | -54.9 | -71.5 | 0 | 0 | 0 | 111.2 | I42 N360 G361 E372 R376 P508 | I42-Y363 HydrophobicContact CD1-CE2 3.92Å; I42-Y363 HydrophobicContact CG1-CE2 4.29Å; I42-Y363 HydrophobicContact CG2-CD2 3.32Å; I42-Y363 HydrophobicContact CG2-CE2 3.58Å; I42-Y363 HydrophobicContact CG2-CG 4.43Å; N360-Y363 WeakPolarHBondContact O-CB 3.32Å; N360-Y363 WeakPolarHBondContact O-CD2 3.13Å; N360-Y363 PolarHBondContact O-N 2.03Å; N360-Y363 VanDerWaalsContact O-N 3.13Å; G361-Y363 VanDerWaalsContact C-N 3.26Å; Y363-E372 HydrophobicContact CD1-CB 3.64Å; Y363-E372 HydrophobicContact CD1-CG 4.26Å; Y363-E372 HydrophobicContact CG-CB 4.04Å; Y363-R376 WeakPolarHBondContact OH-CD 3.46Å; Y363-R376 PolarHBondContact OH-NH1 2.92Å; Y363-P508 HydrophobicContact CD1-CB 4.39Å; Y363-P508 WeakPolarHBondContact CD1-O 3.48Å; Y363-P508 HydrophobicContact CE1-CB 3.93Å |
| 364 | K | 97.8 | Very high | 93.1 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | trans | -77.7 | 139.2 | -173.5 | -174.4 | 170.3 | -177.9 | -179.1 | 0 | 112.3 | W371 G373 T478 S509 E510 | K364-W371 HydrophobicContact CB-CB 4.17Å; K364-W371 HydrophobicContact CB-CG 4.48Å; K364-W371 HydrophobicContact CD-CD2 3.79Å; K364-W371 HydrophobicContact CD-CE3 3.72Å; K364-W371 HydrophobicContact CD-CG 4.31Å; K364-W371 HydrophobicContact CD-CH2 4.35Å; K364-W371 HydrophobicContact CD-CZ2 4.4Å; K364-W371 HydrophobicContact CD-CZ3 4.02Å; K364-W371 HydrophobicContact CG-CB 4.31Å; K364-W371 HydrophobicContact CG-CD2 4.14Å; K364-W371 HydrophobicContact CG-CE3 4.39Å; K364-W371 HydrophobicContact CG-CG 4.13Å; K364-W371 WeakPolarHBondContact O-CB 3.3Å; K364-G373 VanDerWaalsContact O-CA 3.23Å; K364-G373 WeakPolarHBondContact O-CA 3.13Å; K364-G373 PolarHBondContact O-N 2.92Å; K364-T478 HydrophobicContact CG-CG2 3.9Å; K364-S509 WeakPolarHBondContact CB-O 3.03Å; K364-E510 HydrophobicContact CB-CB 4.42Å; K364-E510 HydrophobicContact CD-CB 4.11Å; K364-E510 WeakPolarHBondContact CD-O 3.3Å; K364-E510 PolarHBondContact NZ-O 3.33Å | ||
| 365 | A | 97.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 2% | 0.017 | 14% | 0.135 | C | C | . | . | trans | 56.3 | -155.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L346 N360 T369 W371 G373 F472 T478 | L346-A365 VanDerWaalsContact CD1-C 3.4Å; L346-A365 WeakPolarHBondContact CD1-O 3.34Å; N360-A365 PolarHBondContact ND2-O 3.16Å; A365-T369 HydrophobicContact CB-CG2 4.21Å; A365-W371 HydrophobicContact CB-CB 3.95Å; A365-W371 HydrophobicContact CB-CG 4.09Å; A365-G373 WeakPolarHBondContact O-CA 3.46Å; A365-F472 HydrophobicContact CB-CE1 4.23Å; A365-F472 HydrophobicContact CB-CZ 3.95Å; A365-T478 WeakPolarHBondContact CA-O 3.36Å; A365-T478 WeakPolarHBondContact CB-O 3.04Å | ||
| 366 | G | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -159.7 | -158.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A344 N360 T369 G373 G374 | A344-G366 CarbonylContact O-C 3.54Å; A344-G366 VanDerWaalsContact O-CA 3.29Å; A344-G366 WeakPolarHBondContact O-CA 3.5Å; N360-G366 WeakPolarHBondContact ND2-CA 3.45Å; G366-T369 PolarHBondContact O-N 3.12Å; G366-T369 PolarHBondContact O-OG1 2.79Å; G366-G373 WeakPolarHBondContact CA-O 3.37Å; G366-G374 WeakPolarHBondContact O-CA 3.36Å | ||
| 367 | K | 97.1 | Very high | 96.3 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 5% | 0.048 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -35.6 | 142.9 | 172.9 | -176.1 | 179.1 | -171.4 | 167.2 | 0 | 111.3 | D39 L77 H289 Q342 A344 H345 T369 | D39-K367 VanDerWaalsContact OD1-CD 3.3Å; D39-K367 WeakPolarHBondContact OD1-CD 3.4Å; D39-K367 VanDerWaalsContact OD1-CE 3.22Å; D39-K367 WeakPolarHBondContact OD1-CE 3.04Å; D39-K367 IonicContact OD1-NZ 2.61Å; D39-K367 PolarHBondContact OD1-NZ 3.01Å; D39-K367 IonicContact OD2-NZ 2.95Å; D39-K367 PolarHBondContact OD2-NZ 3Å; L77-K367 HydrophobicContact CD2-CG 4.33Å; H289-K367 PolarHBondContact CD2-NZ 3.26Å; H289-K367 VanDerWaalsContact CD2-NZ 3.26Å; H289-K367 PolarHBondContact NE2-NZ 2.65Å; Q342-K367 HydrophobicContact CG-CG 4.21Å; A344-K367 PolarHBondContact O-N 3.11Å; H345-K367 HydrophobicContact CB-CB 4.19Å; H345-K367 HydrophobicContact CB-CD 3.76Å; K367-T369 VanDerWaalsContact C-N 3.29Å; K367-T369 PolarHBondContact O-N 2.73Å |
| 368 | S | 96.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.028 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 5.9 | -176.6 | 76.2 | 0 | 0 | 0 | 0 | 116.8 | S76 C486 | S76-S368 PolarHBondContact O-N 2.93Å; S368-C486 WeakPolarHBondContact CB-O 3.37Å; S368-C486 PolarHBondContact OG-N 2.91Å |
| 369 | T | 97.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -126 | 153.3 | 175.2 | 77.8 | 0 | 0 | 0 | 0 | 111.6 | S76 A365 G366 K367 W371 G374 P470 F472 C486 | S76-T369 WeakPolarHBondContact CB-O 3.44Å; S76-T369 PolarHBondContact OG-N 2.95Å; S76-T369 PolarHBondContact OG-O 3.41Å; A365-T369 HydrophobicContact CB-CG2 4.21Å; G366-T369 PolarHBondContact O-N 3.12Å; G366-T369 PolarHBondContact O-OG1 2.79Å; K367-T369 VanDerWaalsContact C-N 3.29Å; K367-T369 PolarHBondContact O-N 2.73Å; T369-W371 VanDerWaalsContact C-N 3.33Å; T369-G374 WeakPolarHBondContact O-CA 3.41Å; T369-P470 HydrophobicContact CG2-CG 4.07Å; T369-F472 HydrophobicContact CG2-CE1 4.48Å; T369-C486 HydrophobicContact CG2-CB 3.78Å; T369-C486 VanDerWaalsContact CG2-SG 3.54Å |
| 370 | N | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.011 | 7% | 0.065 | C | C | . | . | trans | -95.1 | 17.1 | 169.7 | -63.5 | -60.1 | 0 | 0 | 0 | 112.9 | I375 H443 Y444 C445 N450 K464 F466 | N370-I375 HydrophobicContact CB-CG2 4.45Å; N370-I375 WeakPolarHBondContact OD1-CG2 3.39Å; N370-H443 HydrophobicContact CB-CB 3.99Å; N370-Y444 PolarHBondContact ND2-O 2.88Å; N370-Y444 PolarHBondContact OD1-O 2.86Å; N370-C445 PolarHBondContact ND2-N 3.14Å; N370-N450 VanDerWaalsContact CB-OD1 3.28Å; N370-N450 WeakPolarHBondContact CB-OD1 3.29Å; N370-N450 VanDerWaalsContact ND2-CB 3.34Å; N370-N450 WeakPolarHBondContact ND2-CB 3.5Å; N370-N450 PolarHBondContact ND2-OD1 3.13Å; N370-K464 VanDerWaalsContact O-CE 3.24Å; N370-K464 WeakPolarHBondContact O-CE 3.2Å; N370-K464 PolarHBondContact O-NZ 2.83Å; N370-F466 HydrophobicContact CB-CE1 4.28Å; N370-F466 WeakPolarHBondContact O-CZ 3.35Å | ||
| 371 | W | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 12.4 Ų | 12.4 | 2% | 0.023 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -63 | 155.7 | 158.9 | -63.9 | 111.6 | 0 | 0 | 0 | 109 | K364 A365 T369 G373 G374 I375 F466 T469 F472 L500 F502 E510 | K364-W371 HydrophobicContact CB-CB 4.17Å; K364-W371 HydrophobicContact CB-CG 4.48Å; K364-W371 HydrophobicContact CD-CD2 3.79Å; K364-W371 HydrophobicContact CD-CE3 3.72Å; K364-W371 HydrophobicContact CD-CG 4.31Å; K364-W371 HydrophobicContact CD-CH2 4.35Å; K364-W371 HydrophobicContact CD-CZ2 4.4Å; K364-W371 HydrophobicContact CD-CZ3 4.02Å; K364-W371 HydrophobicContact CG-CB 4.31Å; K364-W371 HydrophobicContact CG-CD2 4.14Å; K364-W371 HydrophobicContact CG-CE3 4.39Å; K364-W371 HydrophobicContact CG-CG 4.13Å; K364-W371 WeakPolarHBondContact O-CB 3.3Å; A365-W371 HydrophobicContact CB-CB 3.95Å; A365-W371 HydrophobicContact CB-CG 4.09Å; T369-W371 VanDerWaalsContact C-N 3.33Å; W371-G373 PolarHBondContact O-N 3.02Å; W371-G373 VanDerWaalsContact O-N 3.08Å; W371-G374 PolarHBondContact O-N 3.35Å; W371-I375 PolarHBondContact O-N 3.03Å; W371-F466 HydrophobicContact CD2-CE1 4.29Å; W371-F466 HydrophobicContact CD2-CE2 4.49Å; W371-F466 AromaticContact CD2-CZ 3.89Å; W371-F466 HydrophobicContact CD2-CZ 3.89Å; W371-F466 HydrophobicContact CE3-CE1 4.24Å; W371-F466 AromaticContact CE3-CE2 3.67Å; W371-F466 HydrophobicContact CE3-CE2 3.67Å; W371-F466 AromaticContact CE3-CZ 3.45Å; W371-F466 HydrophobicContact CE3-CZ 3.45Å; W371-F466 VanDerWaalsContact CE3-CZ 3.45Å; W371-F466 HydrophobicContact CG-CZ 4.47Å; W371-F466 HydrophobicContact CH2-CE2 4.3Å; W371-F466 HydrophobicContact CZ3-CD2 4.13Å; W371-F466 AromaticContact CZ3-CE2 3.55Å; W371-F466 HydrophobicContact CZ3-CE2 3.55Å; W371-F466 AromaticContact CZ3-CZ 3.8Å; W371-F466 HydrophobicContact CZ3-CZ 3.8Å; W371-T469 HydrophobicContact CH2-CG2 3.94Å; W371-T469 HydrophobicContact CZ2-CG2 3.49Å; W371-T469 VanDerWaalsContact CZ2-CG2 3.49Å; W371-F472 AromaticContact CD1-CZ 3.57Å; W371-F472 AromaticContact NE1-CE2 3.82Å; W371-F472 AromaticContact NE1-CZ 3.26Å; W371-F472 VanDerWaalsContact NE1-CZ 3.26Å; W371-L500 HydrophobicContact CH2-CD2 4.12Å; W371-F502 AromaticContact CH2-CE2 3.91Å; W371-F502 HydrophobicContact CH2-CE2 3.91Å; W371-F502 AromaticContact CH2-CZ 3.77Å; W371-F502 HydrophobicContact CH2-CZ 3.77Å; W371-F502 HydrophobicContact CZ3-CD2 4.43Å; W371-F502 HydrophobicContact CZ3-CE1 4.45Å; W371-F502 AromaticContact CZ3-CE2 3.61Å; W371-F502 HydrophobicContact CZ3-CE2 3.61Å; W371-F502 AromaticContact CZ3-CZ 3.63Å; W371-F502 HydrophobicContact CZ3-CZ 3.63Å; W371-E510 HydrophobicContact CE3-CB 3.74Å; W371-E510 VanDerWaalsContact CE3-CD 3.48Å; W371-E510 HydrophobicContact CE3-CG 4.2Å; W371-E510 HydrophobicContact CZ3-CB 3.71Å; W371-E510 HydrophobicContact CZ3-CG 4.4Å |
| 372 | E | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -53.4 | -35.5 | -175.2 | -72.4 | -57.3 | 99.3 | 0 | 0 | 111.7 | Y363 G374 I375 R376 R453 K464 L504 E510 | Y363-E372 HydrophobicContact CD1-CB 3.64Å; Y363-E372 HydrophobicContact CD1-CG 4.26Å; Y363-E372 HydrophobicContact CG-CB 4.04Å; E372-G374 PolarHBondContact O-N 3.27Å; E372-I375 PolarHBondContact O-N 3.31Å; E372-R376 HydrophobicContact CB-CB 4.4Å; E372-R376 WeakPolarHBondContact O-CA 3.11Å; E372-R376 WeakPolarHBondContact O-CB 2.84Å; E372-R376 PolarHBondContact O-N 2.74Å; E372-R376 IonicContact OE2-CZ 3.47Å; E372-R376 IonicContact OE2-NE 2.74Å; E372-R376 PolarHBondContact OE2-NE 3.16Å; E372-R376 IonicContact OE2-NH2 3.42Å; E372-R376 PolarHBondContact OE2-NH2 2.6Å; E372-R453 IonicContact OE1-CZ 3.48Å; E372-R453 IonicContact OE1-NH2 3.7Å; E372-R453 PolarHBondContact OE1-NH2 3.07Å; E372-R453 IonicContact OE2-CZ 3.61Å; E372-R453 IonicContact OE2-NH2 3.48Å; E372-R453 PolarHBondContact OE2-NH2 3.33Å; E372-K464 IonicContact OE1-NZ 2.75Å; E372-K464 PolarHBondContact OE1-NZ 2.85Å; E372-L504 HydrophobicContact CG-CD1 4.34Å; E372-L504 HydrophobicContact CG-CD2 3.99Å; E372-E510 WeakPolarHBondContact CB-OE2 3.3Å; E372-E510 HydrophobicContact CG-CG 4.18Å; E372-E510 WeakPolarHBondContact CG-OE2 3.47Å; E372-E510 PolarHBondContact N-OE2 3.18Å |
| 373 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -67.4 | -17.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G343 N360 K364 A365 G366 W371 | G343-G373 WeakPolarHBondContact CA-O 3.14Å; N360-G373 PolarHBondContact ND2-O 2.93Å; N360-G373 PolarHBondContact OD1-O 3.4Å; K364-G373 VanDerWaalsContact O-CA 3.23Å; K364-G373 WeakPolarHBondContact O-CA 3.13Å; K364-G373 PolarHBondContact O-N 2.92Å; A365-G373 WeakPolarHBondContact O-CA 3.46Å; G366-G373 WeakPolarHBondContact CA-O 3.37Å; W371-G373 PolarHBondContact O-N 3.02Å; W371-G373 VanDerWaalsContact O-N 3.08Å |
| 374 | G | 98 | Very high | 98 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -94 | -24.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G343 G366 T369 W371 E372 | G343-G374 PolarHBondContact N-O 3.11Å; G343-G374 VanDerWaalsContact N-O 3.11Å; G366-G374 WeakPolarHBondContact O-CA 3.36Å; T369-G374 WeakPolarHBondContact O-CA 3.41Å; W371-G374 PolarHBondContact O-N 3.35Å; E372-G374 PolarHBondContact O-N 3.27Å |
| 375 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -117.7 | -27 | -176.4 | 57.1 | 168.2 | 0 | 0 | 0 | 113.8 | V72 A73 N370 W371 E372 V377 H443 | V72-I375 CarbonylContact C-O 3.53Å; V72-I375 WeakPolarHBondContact CA-O 3.38Å; V72-I375 HydrophobicContact CG1-CD1 4.38Å; V72-I375 HydrophobicContact CG1-CG1 4.39Å; A73-I375 PolarHBondContact N-O 2.98Å; N370-I375 HydrophobicContact CB-CG2 4.45Å; N370-I375 WeakPolarHBondContact OD1-CG2 3.39Å; W371-I375 PolarHBondContact O-N 3.03Å; E372-I375 PolarHBondContact O-N 3.31Å; I375-V377 PolarHBondContact O-N 3.14Å; I375-H443 WeakPolarHBondContact CD1-ND1 3.34Å |
| 376 | R | 98.6 | Very high | 97.7 | Very high | 13 Ų | 13 | 12.4 Ų | 12.4 | 5% | 0.049 | 8% | 0.081 | C | C | . | . | B | Isolated β-bridge | trans | -78.8 | 123.8 | 177.2 | -163 | -176.7 | -79.8 | -128.9 | 1.6 | 108.8 | I42 T69 H70 H71 V72 Y363 E372 | I42-R376 HydrophobicContact CD1-CG 3.68Å; T69-R376 PolarHBondContact O-NH1 3.2Å; H70-R376 VanDerWaalsContact CD2-CZ 3.45Å; H70-R376 PolarHBondContact CD2-NH2 2.91Å; H70-R376 PolarHBondContact CE1-NH2 2.69Å; H70-R376 VanDerWaalsContact CE1-NH2 3.32Å; H70-R376 PolarHBondContact NE2-NH2 2.73Å; H71-R376 WeakPolarHBondContact O-CA 3.42Å; H71-R376 WeakPolarHBondContact O-CG 3.39Å; V72-R376 HydrophobicContact CG1-CB 4.46Å; Y363-R376 WeakPolarHBondContact OH-CD 3.46Å; Y363-R376 PolarHBondContact OH-NH1 2.92Å; E372-R376 HydrophobicContact CB-CB 4.4Å; E372-R376 WeakPolarHBondContact O-CA 3.11Å; E372-R376 WeakPolarHBondContact O-CB 2.84Å; E372-R376 PolarHBondContact O-N 2.74Å; E372-R376 IonicContact OE2-CZ 3.47Å; E372-R376 IonicContact OE2-NE 2.74Å; E372-R376 PolarHBondContact OE2-NE 3.16Å; E372-R376 IonicContact OE2-NH2 3.42Å; E372-R376 PolarHBondContact OE2-NH2 2.6Å |
| 377 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -130 | 158.7 | -171.6 | -68 | 0 | 0 | 0 | 0 | 110.1 | H71 A73 Q342 I375 G379 | H71-V377 PolarHBondContact O-N 2.69Å; A73-V377 HydrophobicContact CB-CG1 4.19Å; Q342-V377 VanDerWaalsContact C-CG1 3.47Å; I375-V377 PolarHBondContact O-N 3.14Å; V377-G379 PolarHBondContact O-N 2.74Å | ||
| 378 | P | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -54.2 | 141.1 | 165.9 | -24.8 | 35.6 | 0 | 0 | 0 | 111.1 | L40 I42 L45 Y48 T339 | L40-P378 HydrophobicContact CD2-CG 4.05Å; I42-P378 HydrophobicContact CB-CG 4.47Å; L45-P378 HydrophobicContact CD1-CB 3.71Å; L45-P378 HydrophobicContact CD1-CG 3.77Å; L45-P378 HydrophobicContact CG-CG 4.43Å; Y48-P378 HydrophobicContact CD2-CB 4.44Å; Y48-P378 HydrophobicContact CE2-CB 3.87Å; T339-P378 VanDerWaalsContact CA-O 3.25Å; T339-P378 WeakPolarHBondContact CA-O 3.43Å; T339-P378 VanDerWaalsContact CB-O 3.31Å; T339-P378 WeakPolarHBondContact CB-O 3.09Å; T339-P378 PolarHBondContact OG1-O 3.5Å | ||
| 379 | G | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 103.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y48 L68 V377 | Y48-G379 PolarHBondContact OH-N 2.74Å; Y48-G379 PolarHBondContact OH-O 2.93Å; L68-G379 VanDerWaalsContact CB-O 3.32Å; L68-G379 WeakPolarHBondContact CB-O 3.49Å; L68-G379 WeakPolarHBondContact CG-O 3.43Å; L68-G379 PolarHBondContact N-O 3.32Å; V377-G379 PolarHBondContact O-N 2.74Å |
| 380 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.7 | -178.2 | -56.8 | 167.9 | 0 | 0 | 0 | 108.1 | L45 Y48 I58 L61 A62 V66 Y337 L338 | L45-I380 HydrophobicContact CD1-CD1 4.25Å; Y48-I380 HydrophobicContact CE2-CD1 4.18Å; Y48-I380 HydrophobicContact CE2-CG1 4.07Å; I58-I380 HydrophobicContact CG2-CD1 3.6Å; L61-I380 HydrophobicContact CB-CG2 4.39Å; L61-I380 HydrophobicContact CD2-CG2 4.13Å; L61-I380 HydrophobicContact CG-CG2 3.79Å; A62-I380 HydrophobicContact CB-CD1 4.11Å; A62-I380 HydrophobicContact CB-CG1 4.36Å; A62-I380 HydrophobicContact CB-CG2 4.03Å; V66-I380 WeakPolarHBondContact O-CA 3.26Å; Y337-I380 CarbonylContact C-O 3.57Å; Y337-I380 VanDerWaalsContact CA-O 3.3Å; Y337-I380 WeakPolarHBondContact CA-O 3.48Å; L338-I380 HydrophobicContact CB-CB 4.34Å; L338-I380 HydrophobicContact CD2-CD1 4.27Å; L338-I380 PolarHBondContact N-O 3.19Å; L338-I380 PolarHBondContact O-N 2.99Å |
| 381 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.6 | 176.4 | -71.1 | 88.6 | 0 | 0 | 0 | 110.2 | G65 V66 L68 L335 L336 Y337 I387 L402 L429 | G65-L381 CarbonylContact C-O 3.58Å; G65-L381 VanDerWaalsContact CA-O 3.3Å; G65-L381 WeakPolarHBondContact CA-O 3.22Å; V66-L381 PolarHBondContact N-O 3.45Å; V66-L381 PolarHBondContact O-N 3.18Å; L68-L381 HydrophobicContact CD1-CD1 3.63Å; L68-L381 HydrophobicContact CG-CD1 4.12Å; L335-L381 HydrophobicContact CD1-CD2 4.47Å; L336-L381 CarbonylContact O-C 3.52Å; L336-L381 VanDerWaalsContact O-CA 3.27Å; L336-L381 WeakPolarHBondContact O-CA 3.43Å; Y337-L381 HydrophobicContact CD2-CD1 3.7Å; Y337-L381 HydrophobicContact CD2-CD2 4.37Å; Y337-L381 HydrophobicContact CD2-CG 3.77Å; Y337-L381 HydrophobicContact CE2-CD1 4.04Å; L381-I387 HydrophobicContact CB-CD1 4.35Å; L381-L402 HydrophobicContact CD2-CD2 4.48Å; L381-L429 HydrophobicContact CB-CD2 4.23Å; L381-L429 HydrophobicContact CD1-CD2 4.34Å; L381-L429 HydrophobicContact CD2-CD1 3.6Å; L381-L429 HydrophobicContact CD2-CD2 4.16Å; L381-L429 HydrophobicContact CG-CD2 4.48Å |
| 382 | S | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 132.2 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | L61 L336 | L61-S382 VanDerWaalsContact CD1-CB 3.43Å; L336-S382 PolarHBondContact N-O 2.87Å; L336-S382 PolarHBondContact O-N 3.2Å |
| 383 | W | 98.1 | Very high | 97.4 | Very high | 18 Ų | 18 | 29.7 Ų | 29.7 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | trans | -150.6 | 92.5 | 171.7 | -171.4 | -7.3 | 0 | 0 | 0 | 108.3 | P30 E332 L335 G385 Q386 I387 L409 M426 | P30-W383 HydrophobicContact CB-CH2 3.54Å; P30-W383 HydrophobicContact CB-CZ2 3.41Å; P30-W383 VanDerWaalsContact CB-CZ2 3.41Å; P30-W383 HydrophobicContact CB-CZ3 4.43Å; P30-W383 HydrophobicContact CG-CH2 3.65Å; P30-W383 HydrophobicContact CG-CZ2 4.05Å; P30-W383 HydrophobicContact CG-CZ3 4.45Å; E332-W383 VanDerWaalsContact O-CD1 3.3Å; E332-W383 PolarHBondContact O-NE1 3.23Å; L335-W383 HydrophobicContact CB-CD2 4.15Å; L335-W383 HydrophobicContact CB-CE3 3.9Å; L335-W383 HydrophobicContact CB-CG 4.5Å; L335-W383 HydrophobicContact CB-CZ3 4.47Å; L335-W383 HydrophobicContact CD1-CB 4.03Å; L335-W383 HydrophobicContact CD1-CE3 4.11Å; L335-W383 HydrophobicContact CG-CE3 4.43Å; W383-G385 PolarHBondContact O-N 3.42Å; W383-Q386 HydrophobicContact CB-CB 4.2Å; W383-Q386 HydrophobicContact CD2-CB 3.61Å; W383-Q386 HydrophobicContact CD2-CG 3.72Å; W383-Q386 VanDerWaalsContact CE2-CG 3.4Å; W383-Q386 HydrophobicContact CE3-CB 3.98Å; W383-Q386 HydrophobicContact CE3-CG 4.32Å; W383-Q386 HydrophobicContact CG-CB 3.7Å; W383-Q386 HydrophobicContact CG-CG 3.99Å; W383-Q386 HydrophobicContact CH2-CG 4.34Å; W383-Q386 HydrophobicContact CZ2-CB 4.45Å; W383-Q386 HydrophobicContact CZ2-CG 3.74Å; W383-Q386 PolarHBondContact O-N 3.44Å; W383-I387 HydrophobicContact CB-CB 4.36Å; W383-I387 HydrophobicContact CB-CD1 3.8Å; W383-I387 HydrophobicContact CB-CG1 3.98Å; W383-I387 PolarHBondContact O-N 2.55Å; W383-L409 HydrophobicContact CE3-CD1 4.43Å; W383-L409 HydrophobicContact CH2-CD1 4.45Å; W383-L409 HydrophobicContact CH2-CD2 3.96Å; W383-L409 HydrophobicContact CZ3-CD1 3.64Å; W383-L409 HydrophobicContact CZ3-CD2 3.63Å; W383-L409 HydrophobicContact CZ3-CG 4.23Å; W383-M426 HydrophobicContact CE3-CE 4.37Å; W383-M426 HydrophobicContact CZ3-CE 4.22Å | ||
| 384 | P | 96.4 | Very high | 97.3 | Very high | 30 Ų | 30 | 35.1 Ų | 35.1 | 20% | 0.195 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 131 | -175.7 | -30.4 | 39 | 0 | 0 | 0 | 112.2 | R331 E332 Q386 | R331-P384 HydrophobicContact CG-CG 4.11Å; E332-P384 HydrophobicContact CG-CB 4.46Å; P384-Q386 PolarHBondContact O-N 3.13Å |
| 385 | G | 92.3 | Very high | 97.3 | Very high | 79 Ų | 79 | 36.1 Ų | 36.1 | 81% | 0.814 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -15.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | W383 | W383-G385 PolarHBondContact O-N 3.42Š|
| 386 | Q | 96.1 | Very high | 97.3 | Very high | 95 Ų | 95 | 36.1 Ų | 36.1 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -32.5 | 177.4 | -61.5 | -58 | -34.3 | 0 | 0 | 113.5 | W383 P384 Q430 | W383-Q386 HydrophobicContact CB-CB 4.2Å; W383-Q386 HydrophobicContact CD2-CB 3.61Å; W383-Q386 HydrophobicContact CD2-CG 3.72Å; W383-Q386 VanDerWaalsContact CE2-CG 3.4Å; W383-Q386 HydrophobicContact CE3-CB 3.98Å; W383-Q386 HydrophobicContact CE3-CG 4.32Å; W383-Q386 HydrophobicContact CG-CB 3.7Å; W383-Q386 HydrophobicContact CG-CG 3.99Å; W383-Q386 HydrophobicContact CH2-CG 4.34Å; W383-Q386 HydrophobicContact CZ2-CB 4.45Å; W383-Q386 HydrophobicContact CZ2-CG 3.74Å; W383-Q386 PolarHBondContact O-N 3.44Å; P384-Q386 PolarHBondContact O-N 3.13Å; Q386-Q430 WeakPolarHBondContact O-CG 3.48Å; Q386-Q430 PolarHBondContact O-NE2 2.79Å; Q386-Q430 VanDerWaalsContact O-NE2 3.08Å |
| 387 | I | 96.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -115.3 | 132.9 | 177.1 | -64.4 | 174.6 | 0 | 0 | 0 | 108.5 | V66 L335 L381 W383 L429 | V66-I387 HydrophobicContact CB-CG2 4.18Å; V66-I387 HydrophobicContact CG2-CG2 3.38Å; L335-I387 HydrophobicContact CD1-CD1 3.89Å; L381-I387 HydrophobicContact CB-CD1 4.35Å; W383-I387 HydrophobicContact CB-CB 4.36Å; W383-I387 HydrophobicContact CB-CD1 3.8Å; W383-I387 HydrophobicContact CB-CG1 3.98Å; W383-I387 PolarHBondContact O-N 2.55Å; I387-L429 HydrophobicContact CD1-CB 4.33Å; I387-L429 HydrophobicContact CD1-CD1 4.11Å; I387-L429 HydrophobicContact CG1-CB 4.32Å |
| 388 | P | 95.6 | Very high | 97.3 | Very high | 59 Ų | 59 | 35.6 Ų | 35.6 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | trans | -60.8 | 135.2 | 174.6 | -21 | 32.3 | 0 | 0 | 0 | 112 | G65 L429 | G65-P388 CarbonylContact C-O 3.45Å; P388-L429 WeakPolarHBondContact CD-O 3.39Å | ||
| 389 | S | 96.2 | Very high | 97.3 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 57% | 0.573 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 148.1 | 176.2 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | E64 G65 R391 | E64-S389 WeakPolarHBondContact O-CB 3.32Å; E64-S389 PolarHBondContact O-OG 3.07Å; G65-S389 CarbonylContact O-C 3.55Å; S389-R391 VanDerWaalsContact C-N 3.29Å; S389-R391 PolarHBondContact O-N 3.04Å |
| 390 | G | 95 | Very high | 97.3 | Very high | 58 Ų | 58 | 35.6 Ų | 35.6 | 60% | 0.598 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 17.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q63 G65 | Q63-G390 WeakPolarHBondContact O-CA 3.36Å; Q63-G390 PolarHBondContact O-N 3.33Å; G65-G390 PolarHBondContact O-N 2.76Å |
| 391 | R | 96.4 | Very high | 97.3 | Very high | 70 Ų | 70 | 35.6 Ų | 35.6 | 26% | 0.264 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 143.4 | -177.6 | -178.2 | 174.1 | -179.2 | -149.2 | -1.7 | 111.3 | G65 V66 K67 S389 I393 L428 L429 | G65-R391 PolarHBondContact O-N 3.23Å; G65-R391 VanDerWaalsContact O-N 3.13Å; V66-R391 CarbonylContact C-O 3.52Å; V66-R391 VanDerWaalsContact CA-O 3.29Å; V66-R391 WeakPolarHBondContact CA-O 3.43Å; V66-R391 HydrophobicContact CG2-CB 3.97Å; V66-R391 HydrophobicContact CG2-CG 4.39Å; K67-R391 PolarHBondContact N-O 3.44Å; S389-R391 VanDerWaalsContact C-N 3.29Å; S389-R391 PolarHBondContact O-N 3.04Å; R391-I393 HydrophobicContact CG-CG1 4.33Å; R391-L428 PolarHBondContact NH1-O 2.94Å; R391-L428 PolarHBondContact NH2-O 2.74Å; R391-L429 PolarHBondContact NH1-O 3.35Å |
| 392 | E | 98 | Very high | 97.3 | Very high | 110 Ų | 110 | 35.6 Ų | 35.6 | 51% | 0.514 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 138.7 | 171.3 | -164.7 | 169.8 | 119.5 | 0 | 0 | 109.6 | K67 T69 | K67-E392 WeakPolarHBondContact CE-OE2 3.35Å; K67-E392 IonicContact NZ-OE2 3.13Å; K67-E392 PolarHBondContact NZ-OE2 2.96Å; K67-E392 WeakPolarHBondContact O-CA 3.28Å; T69-E392 VanDerWaalsContact CG2-CD 3.41Å; T69-E392 HydrophobicContact CG2-CG 3.49Å; T69-E392 VanDerWaalsContact CG2-CG 3.49Å; T69-E392 WeakPolarHBondContact CG2-OE1 3.33Å |
| 393 | I | 98.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 122.8 | 176.3 | -59 | -177.3 | 0 | 0 | 0 | 108.6 | V66 K67 L68 T69 R391 E395 L428 L429 | V66-I393 HydrophobicContact CG1-CB 4.37Å; V66-I393 HydrophobicContact CG1-CD1 3.63Å; V66-I393 HydrophobicContact CG1-CG1 3.79Å; V66-I393 HydrophobicContact CG2-CD1 4.44Å; K67-I393 PolarHBondContact O-N 2.92Å; L68-I393 CarbonylContact C-O 3.51Å; L68-I393 WeakPolarHBondContact CA-O 3.46Å; L68-I393 HydrophobicContact CD2-CB 3.87Å; L68-I393 HydrophobicContact CD2-CD1 4.36Å; L68-I393 HydrophobicContact CD2-CG2 4.26Å; T69-I393 PolarHBondContact N-O 3.45Å; T69-I393 PolarHBondContact OG1-O 2.99Å; R391-I393 HydrophobicContact CG-CG1 4.33Å; I393-E395 HydrophobicContact CG2-CB 3.88Å; I393-E395 HydrophobicContact CG2-CG 4.39Å; I393-L428 HydrophobicContact CD1-CD1 4.46Å; I393-L428 HydrophobicContact CD1-CG 4.01Å; I393-L428 HydrophobicContact CG2-CD1 4.08Å; I393-L428 HydrophobicContact CG2-CD2 4.04Å; I393-L428 HydrophobicContact CG2-CG 4.08Å; I393-L429 HydrophobicContact CD1-CD2 4.46Å |
| 394 | D | 97.1 | Very high | 97.4 | Very high | 113 Ų | 113 | 35.1 Ų | 35.1 | 60% | 0.604 | 22% | 0.219 | S | C | * | . | trans | -102.4 | -0.5 | -177 | 59.8 | -24.7 | 0 | 0 | 0 | 113.9 | T69 H70 | T69-D394 WeakPolarHBondContact OG1-CA 3.36Å; H70-D394 WeakPolarHBondContact CB-O 3.22Å; H70-D394 PolarHBondContact ND1-O 3.37Å | ||
| 395 | E | 98.1 | Very high | 97.5 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -64.6 | 139.9 | 173 | -75.8 | -67.2 | 115 | 0 | 0 | 112.5 | I393 T397 L428 R435 S436 H455 | I393-E395 HydrophobicContact CG2-CB 3.88Å; I393-E395 HydrophobicContact CG2-CG 4.39Å; E395-T397 PolarHBondContact O-N 3.44Å; E395-L428 HydrophobicContact CB-CD1 4.44Å; E395-L428 HydrophobicContact CB-CD2 4.24Å; E395-L428 HydrophobicContact CG-CD1 4.24Å; E395-R435 VanDerWaalsContact OE2-CA 3.32Å; E395-R435 WeakPolarHBondContact OE2-CA 3.47Å; E395-S436 PolarHBondContact OE2-N 3.33Å; E395-S436 PolarHBondContact OE2-OG 2.87Å; E395-H455 IonicContact OE1-NE2 3.41Å; E395-H455 PolarHBondContact OE1-NE2 3.24Å; E395-H455 IonicContact OE2-CD2 3.87Å; E395-H455 IonicContact OE2-NE2 2.69Å |
| 396 | P | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | trans | -58.6 | 121.4 | 175.3 | -21.3 | 32.2 | 0 | 0 | 0 | 111.6 | S436 H438 L441 H455 V462 | P396-S436 WeakPolarHBondContact O-CB 3.38Å; P396-S436 PolarHBondContact O-OG 2.78Å; P396-H438 HydrophobicContact CB-CB 4.39Å; P396-H438 PolarHBondContact O-CD2 3.08Å; P396-L441 HydrophobicContact CB-CD1 3.91Å; P396-H455 HydrophobicContact CG-CB 4.01Å; P396-V462 HydrophobicContact CG-CG1 4.47Å; P396-V462 HydrophobicContact CG-CG2 4.26Å | ||
| 397 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 160.8 | 177.2 | 49 | 0 | 0 | 0 | 0 | 109.5 | H70 H71 V72 E395 L425 L428 | H70-T397 PolarHBondContact O-N 3.46Å; H70-T397 VanDerWaalsContact O-N 3.13Å; H71-T397 CarbonylContact C-O 3.59Å; H71-T397 WeakPolarHBondContact CA-O 3.48Å; H71-T397 WeakPolarHBondContact CA-OG1 3.46Å; H71-T397 WeakPolarHBondContact ND1-CB 3.27Å; H71-T397 PolarHBondContact ND1-OG1 2.85Å; V72-T397 VanDerWaalsContact CG2-O 3.24Å; V72-T397 WeakPolarHBondContact CG2-O 3.43Å; V72-T397 PolarHBondContact N-O 3.43Å; E395-T397 PolarHBondContact O-N 3.44Å; T397-L425 HydrophobicContact CG2-CD2 3.7Å; T397-L428 HydrophobicContact CG2-CD2 3.8Å |
| 398 | S | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 151.7 | -176.7 | -173.8 | 0 | 0 | 0 | 0 | 113.2 | H71 V72 M400 D401 | H71-S398 PolarHBondContact CE1-O 3.46Å; H71-S398 VanDerWaalsContact CE1-O 3.27Å; V72-S398 CarbonylContact O-C 3.44Å; V72-S398 WeakPolarHBondContact O-CA 3.34Å; V72-S398 PolarHBondContact O-OG 3.34Å; S398-M400 PolarHBondContact O-N 2.99Å; S398-M400 VanDerWaalsContact O-N 3.1Å; S398-M400 PolarHBondContact OG-N 3.34Å; S398-D401 PolarHBondContact N-OD2 3.31Å; S398-D401 WeakPolarHBondContact O-CB 3.36Å; S398-D401 VanDerWaalsContact O-CG 3.3Å; S398-D401 PolarHBondContact O-N 2.76Å |
| 399 | N | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -54.3 | -26.6 | 166.1 | -75 | 10.4 | 0 | 0 | 0 | 112 | H71 V72 F85 Y337 T339 S340 D401 L402 | H71-N399 PolarHBondContact CD2-OD1 3.4Å; H71-N399 VanDerWaalsContact CD2-OD1 3.32Å; H71-N399 PolarHBondContact NE2-OD1 2.8Å; V72-N399 PolarHBondContact O-N 3.28Å; F85-N399 HydrophobicContact CD2-CB 4.28Å; F85-N399 WeakPolarHBondContact CD2-O 3.37Å; Y337-N399 PolarHBondContact OH-OD1 2.99Å; Y337-N399 VanDerWaalsContact OH-OD1 3.04Å; T339-N399 PolarHBondContact OG1-OD1 3.22Å; S340-N399 PolarHBondContact O-ND2 3.37Å; S340-N399 VanDerWaalsContact O-ND2 3.08Å; N399-D401 PolarHBondContact O-N 3.39Å; N399-L402 PolarHBondContact O-N 2.85Å |
| 400 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -64.9 | -23 | 175.7 | -61.9 | -173.9 | -69 | 0 | 0 | 113.1 | A74 A84 G88 R89 Y90 S398 L402 F403 P404 D421 | A74-M400 HydrophobicContact CB-CE 4.21Å; A74-M400 HydrophobicContact CB-CG 3.77Å; A74-M400 HydrophobicContact CB-SD 3.81Å; A84-M400 HydrophobicContact CB-CG 3.99Å; A84-M400 HydrophobicContact CB-SD 4.3Å; G88-M400 WeakPolarHBondContact CA-O 3.24Å; R89-M400 VanDerWaalsContact C-SD 3.59Å; Y90-M400 HydrophobicContact CD1-CE 3.95Å; Y90-M400 HydrophobicContact CD1-SD 4.06Å; Y90-M400 HydrophobicContact CE1-CE 3.47Å; Y90-M400 VanDerWaalsContact CE1-CE 3.47Å; Y90-M400 HydrophobicContact CE1-SD 4.22Å; Y90-M400 HydrophobicContact CE2-CE 4.1Å; Y90-M400 HydrophobicContact CG-CE 4.43Å; Y90-M400 HydrophobicContact CG-SD 4.27Å; S398-M400 PolarHBondContact O-N 2.99Å; S398-M400 VanDerWaalsContact O-N 3.1Å; S398-M400 PolarHBondContact OG-N 3.34Å; M400-L402 PolarHBondContact O-N 3.3Å; M400-F403 WeakPolarHBondContact O-CB 3.46Å; M400-F403 PolarHBondContact O-N 2.85Å; M400-P404 VanDerWaalsContact O-CD 3.23Å; M400-P404 WeakPolarHBondContact O-CD 3.4Å; M400-D421 HydrophobicContact CE-CB 4.01Å; M400-D421 HydrophobicContact SD-CB 3.97Å |
| 401 | D | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -70.8 | -20.8 | -175.5 | -63.9 | -17.1 | 0 | 0 | 0 | 112.8 | S398 N399 F403 P404 T405 G422 H423 L425 H438 | S398-D401 PolarHBondContact N-OD2 3.31Å; S398-D401 WeakPolarHBondContact O-CB 3.36Å; S398-D401 VanDerWaalsContact O-CG 3.3Å; S398-D401 PolarHBondContact O-N 2.76Å; N399-D401 PolarHBondContact O-N 3.39Å; D401-F403 PolarHBondContact O-N 3.43Å; D401-P404 WeakPolarHBondContact O-CD 3.41Å; D401-P404 VanDerWaalsContact O-CG 3.28Å; D401-P404 WeakPolarHBondContact O-CG 3.47Å; D401-T405 WeakPolarHBondContact O-CB 3.16Å; D401-T405 PolarHBondContact O-N 2.9Å; D401-T405 PolarHBondContact O-OG1 3.27Å; D401-G422 VanDerWaalsContact OD1-CA 3.25Å; D401-G422 WeakPolarHBondContact OD1-CA 3.11Å; D401-H423 WeakPolarHBondContact CA-O 3.45Å; D401-H423 WeakPolarHBondContact CB-O 3.36Å; D401-H423 PolarHBondContact OD1-N 2.8Å; D401-L425 HydrophobicContact CB-CD1 3.76Å; D401-L425 HydrophobicContact CB-CD2 3.76Å; D401-L425 HydrophobicContact CB-CG 3.64Å; D401-H438 IonicContact OD1-CD2 3.83Å; D401-H438 IonicContact OD1-CE1 3.97Å; D401-H438 PolarHBondContact OD1-CE1 3.29Å; D401-H438 IonicContact OD1-NE2 3.57Å; D401-H438 PolarHBondContact OD1-NE2 3.29Å; D401-H438 IonicContact OD2-CD2 2.92Å; D401-H438 PolarHBondContact OD2-CD2 3.5Å; D401-H438 IonicContact OD2-NE2 2.75Å; D401-H438 PolarHBondContact OD2-NE2 2.69Å |
| 402 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.3 | -31.7 | 175.1 | -116.7 | -48.3 | 0 | 0 | 0 | 112.2 | L34 F85 Y337 L381 N399 M400 I406 | L34-L402 HydrophobicContact CD2-CD1 4.01Å; L34-L402 HydrophobicContact CD2-CG 4.44Å; F85-L402 HydrophobicContact CD2-CB 4.35Å; F85-L402 HydrophobicContact CE2-CB 3.74Å; F85-L402 HydrophobicContact CE2-CG 4.06Å; Y337-L402 HydrophobicContact CD1-CD2 3.64Å; Y337-L402 HydrophobicContact CD1-CG 3.76Å; Y337-L402 HydrophobicContact CD2-CD2 3.56Å; Y337-L402 HydrophobicContact CD2-CG 4.5Å; Y337-L402 HydrophobicContact CE1-CD2 3.6Å; Y337-L402 HydrophobicContact CE1-CG 3.9Å; Y337-L402 HydrophobicContact CE2-CD2 3.49Å; Y337-L402 VanDerWaalsContact CE2-CD2 3.49Å; Y337-L402 HydrophobicContact CG-CD2 3.58Å; Y337-L402 HydrophobicContact CG-CG 4.04Å; Y337-L402 VanDerWaalsContact CZ-CD2 3.48Å; L381-L402 HydrophobicContact CD2-CD2 4.48Å; N399-L402 PolarHBondContact O-N 2.85Å; M400-L402 PolarHBondContact O-N 3.3Å; L402-I406 HydrophobicContact CD1-CD1 3.77Å; L402-I406 HydrophobicContact CD1-CG1 3.84Å; L402-I406 HydrophobicContact CG-CD1 4.5Å; L402-I406 WeakPolarHBondContact O-CB 3.45Å; L402-I406 WeakPolarHBondContact O-CD1 3Å; L402-I406 VanDerWaalsContact O-CG1 3.25Å; L402-I406 WeakPolarHBondContact O-CG1 3.46Å; L402-I406 PolarHBondContact O-N 3.03Å |
| 403 | F | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.1 | -61.9 | 177.8 | 176.2 | -85.7 | 0 | 0 | 0 | 112.1 | L86 T87 G88 V119 F121 I124 M400 D401 T405 I406 V407 P415 I420 | L86-F403 VanDerWaalsContact O-CD2 3.25Å; L86-F403 WeakPolarHBondContact O-CD2 3.44Å; T87-F403 VanDerWaalsContact C-CD2 3.45Å; G88-F403 VanDerWaalsContact CA-CB 3.49Å; V119-F403 WeakPolarHBondContact O-CE2 3.37Å; F121-F403 HydrophobicContact CB-CD2 3.8Å; F121-F403 HydrophobicContact CB-CE2 4.31Å; F121-F403 HydrophobicContact CD1-CD2 4.33Å; I124-F403 HydrophobicContact CD1-CE1 4.4Å; I124-F403 HydrophobicContact CD1-CE2 4Å; I124-F403 HydrophobicContact CD1-CZ 3.56Å; M400-F403 WeakPolarHBondContact O-CB 3.46Å; M400-F403 PolarHBondContact O-N 2.85Å; D401-F403 PolarHBondContact O-N 3.43Å; F403-T405 VanDerWaalsContact C-N 3.31Å; F403-T405 PolarHBondContact O-N 3.33Å; F403-I406 PolarHBondContact O-N 3.05Å; F403-V407 HydrophobicContact CD1-CG2 4.33Å; F403-V407 HydrophobicContact CE1-CG2 4.06Å; F403-V407 HydrophobicContact CZ-CG2 4.21Å; F403-V407 VanDerWaalsContact O-CG2 3.26Å; F403-V407 WeakPolarHBondContact O-CG2 3.46Å; F403-V407 PolarHBondContact O-N 3.24Å; F403-P415 HydrophobicContact CZ-CG 4.22Å; F403-I420 HydrophobicContact CD1-CD1 4.4Å; F403-I420 HydrophobicContact CD1-CG2 3.94Å; F403-I420 HydrophobicContact CE1-CD1 3.75Å; F403-I420 HydrophobicContact CE1-CG1 4.24Å; F403-I420 HydrophobicContact CE1-CG2 4.2Å; F403-I420 HydrophobicContact CZ-CD1 4.23Å |
| 404 | P | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -33.6 | -178.9 | 27.9 | -37.9 | 0 | 0 | 0 | 113 | M400 D401 V407 H408 I414 H423 | M400-P404 VanDerWaalsContact O-CD 3.23Å; M400-P404 WeakPolarHBondContact O-CD 3.4Å; D401-P404 WeakPolarHBondContact O-CD 3.41Å; D401-P404 VanDerWaalsContact O-CG 3.28Å; D401-P404 WeakPolarHBondContact O-CG 3.47Å; P404-V407 PolarHBondContact O-N 3.45Å; P404-H408 WeakPolarHBondContact O-CB 3.28Å; P404-H408 PolarHBondContact O-N 3.48Å; P404-I414 VanDerWaalsContact CA-CD1 3.5Å; P404-I414 HydrophobicContact CB-CD1 3.59Å; P404-H423 WeakPolarHBondContact CG-O 3.5Å |
| 405 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 175.4 | -70.4 | 0 | 0 | 0 | 0 | 112.3 | L335 D401 F403 H408 L409 D424 L425 M426 | L335-T405 HydrophobicContact CD2-CG2 4.44Å; D401-T405 WeakPolarHBondContact O-CB 3.16Å; D401-T405 PolarHBondContact O-N 2.9Å; D401-T405 PolarHBondContact O-OG1 3.27Å; F403-T405 VanDerWaalsContact C-N 3.31Å; F403-T405 PolarHBondContact O-N 3.33Å; T405-H408 PolarHBondContact O-N 3.01Å; T405-L409 HydrophobicContact CG2-CD1 3.79Å; T405-L409 HydrophobicContact CG2-CG 4.45Å; T405-L409 WeakPolarHBondContact O-CB 2.99Å; T405-L409 VanDerWaalsContact O-CG 3.24Å; T405-L409 WeakPolarHBondContact O-CG 3.34Å; T405-L409 PolarHBondContact O-N 3.33Å; T405-D424 VanDerWaalsContact CA-OD1 3.3Å; T405-D424 WeakPolarHBondContact CA-OD1 3.48Å; T405-D424 WeakPolarHBondContact CB-OD1 3.42Å; T405-D424 WeakPolarHBondContact OG1-CA 3.24Å; T405-D424 PolarHBondContact OG1-OD1 3.49Å; T405-L425 PolarHBondContact OG1-N 2.84Å; T405-M426 HydrophobicContact CG2-CG 4.03Å; T405-M426 HydrophobicContact CG2-SD 4.14Å |
| 406 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.8 | -44 | 176.6 | -71.5 | 164.2 | 0 | 0 | 0 | 111 | F32 L34 F121 V125 L280 L402 F403 H408 L409 S410 | F32-I406 HydrophobicContact CD1-CG1 4.17Å; F32-I406 HydrophobicContact CD2-CG2 4.09Å; F32-I406 HydrophobicContact CE1-CG1 4.33Å; F32-I406 HydrophobicContact CE2-CG2 3.89Å; F32-I406 HydrophobicContact CG-CG1 4.44Å; F32-I406 HydrophobicContact CG-CG2 4.47Å; F32-I406 HydrophobicContact CZ-CG2 4.13Å; L34-I406 HydrophobicContact CD1-CD1 3.56Å; L34-I406 HydrophobicContact CD2-CD1 3.95Å; L34-I406 HydrophobicContact CG-CD1 4.35Å; F121-I406 HydrophobicContact CB-CB 4.34Å; F121-I406 HydrophobicContact CB-CD1 4.41Å; F121-I406 HydrophobicContact CB-CG2 4.1Å; F121-I406 HydrophobicContact CD1-CD1 4.17Å; F121-I406 HydrophobicContact CD2-CD1 3.94Å; F121-I406 HydrophobicContact CE1-CD1 4.42Å; F121-I406 HydrophobicContact CE2-CD1 4.28Å; F121-I406 HydrophobicContact CG-CD1 3.93Å; F121-I406 HydrophobicContact CZ-CD1 4.49Å; V125-I406 HydrophobicContact CG1-CG2 3.4Å; V125-I406 VanDerWaalsContact CG1-CG2 3.4Å; L280-I406 HydrophobicContact CD1-CD1 4.5Å; L280-I406 HydrophobicContact CD1-CG2 4.22Å; L402-I406 HydrophobicContact CD1-CD1 3.77Å; L402-I406 HydrophobicContact CD1-CG1 3.84Å; L402-I406 HydrophobicContact CG-CD1 4.5Å; L402-I406 WeakPolarHBondContact O-CB 3.45Å; L402-I406 WeakPolarHBondContact O-CD1 3Å; L402-I406 VanDerWaalsContact O-CG1 3.25Å; L402-I406 WeakPolarHBondContact O-CG1 3.46Å; L402-I406 PolarHBondContact O-N 3.03Å; F403-I406 PolarHBondContact O-N 3.05Å; I406-H408 VanDerWaalsContact C-N 3.35Å; I406-H408 PolarHBondContact O-N 3.4Å; I406-L409 PolarHBondContact O-N 2.96Å; I406-S410 WeakPolarHBondContact O-CB 3.32Å; I406-S410 PolarHBondContact O-N 3.25Å; I406-S410 PolarHBondContact O-OG 3.06Å |
| 407 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.2 | -49.5 | 179.3 | 173 | 0 | 0 | 0 | 0 | 110.2 | I124 F403 P404 S410 G411 A412 I414 | I124-V407 HydrophobicContact CB-CG2 4.36Å; I124-V407 HydrophobicContact CD1-CG2 3.54Å; I124-V407 HydrophobicContact CG2-CG1 4.24Å; I124-V407 HydrophobicContact CG2-CG2 4.1Å; F403-V407 HydrophobicContact CD1-CG2 4.33Å; F403-V407 HydrophobicContact CE1-CG2 4.06Å; F403-V407 HydrophobicContact CZ-CG2 4.21Å; F403-V407 VanDerWaalsContact O-CG2 3.26Å; F403-V407 WeakPolarHBondContact O-CG2 3.46Å; F403-V407 PolarHBondContact O-N 3.24Å; P404-V407 PolarHBondContact O-N 3.45Å; V407-S410 PolarHBondContact O-N 3.42Å; V407-S410 PolarHBondContact O-OG 3.28Å; V407-G411 PolarHBondContact O-N 3.29Å; V407-A412 HydrophobicContact CG1-CB 3.84Å; V407-A412 PolarHBondContact O-N 3.16Å; V407-A412 VanDerWaalsContact O-N 3.09Å; V407-I414 HydrophobicContact CB-CD1 3.75Å; V407-I414 HydrophobicContact CG1-CD1 3.67Å; V407-I414 HydrophobicContact CG1-CG1 4.22Å; V407-I414 HydrophobicContact CG2-CD1 4.3Å |
| 408 | H | 97.6 | Very high | 97.7 | Very high | 107 Ų | 107 | 34.7 Ų | 34.7 | 50% | 0.495 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.1 | -53.3 | 176.9 | 174.9 | -163.1 | 0 | 0 | 0 | 111.4 | P404 T405 I406 S410 G411 D424 | P404-H408 WeakPolarHBondContact O-CB 3.28Å; P404-H408 PolarHBondContact O-N 3.48Å; T405-H408 PolarHBondContact O-N 3.01Å; I406-H408 VanDerWaalsContact C-N 3.35Å; I406-H408 PolarHBondContact O-N 3.4Å; H408-S410 PolarHBondContact O-N 3.05Å; H408-G411 PolarHBondContact O-N 3.06Å; H408-D424 IonicContact CE1-OD2 3.87Å; H408-D424 IonicContact CG-OD2 3.9Å; H408-D424 IonicContact ND1-OD2 2.95Å; H408-D424 PolarHBondContact ND1-OD2 2.87Å |
| 409 | L | 97.9 | Very high | 97.6 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -26.1 | -177.2 | -70.1 | 174.9 | 0 | 0 | 0 | 113.7 | P30 F32 L335 W383 T405 I406 G411 M426 | P30-L409 WeakPolarHBondContact CD-O 3.24Å; P30-L409 HydrophobicContact CG-CB 4.18Å; F32-L409 HydrophobicContact CE1-CB 3.8Å; F32-L409 HydrophobicContact CE1-CD1 3.93Å; F32-L409 HydrophobicContact CZ-CB 3.7Å; L335-L409 HydrophobicContact CD2-CD1 3.64Å; W383-L409 HydrophobicContact CE3-CD1 4.43Å; W383-L409 HydrophobicContact CH2-CD1 4.45Å; W383-L409 HydrophobicContact CH2-CD2 3.96Å; W383-L409 HydrophobicContact CZ3-CD1 3.64Å; W383-L409 HydrophobicContact CZ3-CD2 3.63Å; W383-L409 HydrophobicContact CZ3-CG 4.23Å; T405-L409 HydrophobicContact CG2-CD1 3.79Å; T405-L409 HydrophobicContact CG2-CG 4.45Å; T405-L409 WeakPolarHBondContact O-CB 2.99Å; T405-L409 VanDerWaalsContact O-CG 3.24Å; T405-L409 WeakPolarHBondContact O-CG 3.34Å; T405-L409 PolarHBondContact O-N 3.33Å; I406-L409 PolarHBondContact O-N 2.96Å; L409-G411 PolarHBondContact O-N 3.13Å; L409-M426 HydrophobicContact CD1-CG 4.22Å; L409-M426 HydrophobicContact CD1-SD 3.84Å; L409-M426 HydrophobicContact CD2-CE 4.33Å; L409-M426 HydrophobicContact CD2-CG 3.95Å; L409-M426 HydrophobicContact CD2-SD 4.12Å; L409-M426 HydrophobicContact CG-CG 4.15Å; L409-M426 HydrophobicContact CG-SD 4.34Å |
| 410 | S | 97.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -9.4 | 174.5 | 74.9 | 0 | 0 | 0 | 0 | 114 | K29 I406 V407 H408 A412 | K29-S410 WeakPolarHBondContact CE-O 3.37Å; I406-S410 WeakPolarHBondContact O-CB 3.32Å; I406-S410 PolarHBondContact O-N 3.25Å; I406-S410 PolarHBondContact O-OG 3.06Å; V407-S410 PolarHBondContact O-N 3.42Å; V407-S410 PolarHBondContact O-OG 3.28Å; H408-S410 PolarHBondContact O-N 3.05Å; S410-A412 VanDerWaalsContact C-N 3.34Å; S410-A412 WeakPolarHBondContact OG-CB 3.48Å; S410-A412 PolarHBondContact OG-N 2.78Å |
| 411 | G | 96.3 | Very high | 97.6 | Very high | 63 Ų | 63 | 42.3 Ų | 42.3 | 65% | 0.649 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 12.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V407 H408 L409 | V407-G411 PolarHBondContact O-N 3.29Å; H408-G411 PolarHBondContact O-N 3.06Å; L409-G411 PolarHBondContact O-N 3.13Å |
| 412 | A | 96.6 | Very high | 97.6 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 164.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | I124 Q128 V407 S410 | I124-A412 HydrophobicContact CG2-CB 3.31Å; Q128-A412 HydrophobicContact CG-CB 3.83Å; V407-A412 HydrophobicContact CG1-CB 3.84Å; V407-A412 PolarHBondContact O-N 3.16Å; V407-A412 VanDerWaalsContact O-N 3.09Å; S410-A412 VanDerWaalsContact C-N 3.34Å; S410-A412 WeakPolarHBondContact OG-CB 3.48Å; S410-A412 PolarHBondContact OG-N 2.78Å |
| 413 | A | 96.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 45.7 Ų | 45.7 | 69% | 0.694 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -95.4 | 143.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 414 | I | 96.8 | Very high | 97.5 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 26% | 0.256 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 136.3 | 172.6 | -60.5 | -72.3 | 0 | 0 | 0 | 109.4 | P404 V407 Q416 I420 | P404-I414 VanDerWaalsContact CA-CD1 3.5Å; P404-I414 HydrophobicContact CB-CD1 3.59Å; V407-I414 HydrophobicContact CB-CD1 3.75Å; V407-I414 HydrophobicContact CG1-CD1 3.67Å; V407-I414 HydrophobicContact CG1-CG1 4.22Å; V407-I414 HydrophobicContact CG2-CD1 4.3Å; I414-Q416 PolarHBondContact O-N 3.47Å; I414-Q416 PolarHBondContact O-NE2 3.37Å; I414-I420 HydrophobicContact CG2-CB 4.33Å; I414-I420 HydrophobicContact CG2-CG1 3.75Å |
| 415 | P | 96 | Very high | 97.5 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 15% | 0.149 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 129 | 174.8 | -26 | 35.1 | 0 | 0 | 0 | 112.1 | V119 I124 F403 R418 | V119-P415 HydrophobicContact CG1-CG 4.31Å; I124-P415 HydrophobicContact CD1-CG 4.02Å; F403-P415 HydrophobicContact CZ-CG 4.22Å; P415-R418 HydrophobicContact CB-CG 4.12Å |
| 416 | Q | 96.6 | Very high | 97.5 | Very high | 170 Ų | 170 | 47.9 Ų | 47.9 | 79% | 0.794 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -99.6 | -7.5 | -178.7 | -58.6 | -60.2 | -58.1 | 0 | 0 | 113 | I414 R418 | I414-Q416 PolarHBondContact O-N 3.47Å; I414-Q416 PolarHBondContact O-NE2 3.37Å; Q416-R418 VanDerWaalsContact C-N 3.28Å |
| 417 | D | 96.3 | Very high | 97.4 | Very high | 116 Ų | 116 | 51.3 Ų | 51.3 | 62% | 0.62 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -83.6 | -4.4 | -178.5 | 69.4 | -33.1 | 0 | 0 | 0 | 113.1 | ||
| 418 | R | 96.3 | Very high | 97.4 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -153.6 | 150.3 | -171.7 | 75.2 | -169.9 | 65.7 | -158.2 | -1.8 | 110.8 | R117 E118 P415 Q416 I420 | R117-R418 PolarHBondContact O-NH1 3.29Å; R117-R418 PolarHBondContact O-NH2 3.42Å; E118-R418 IonicContact OE2-NH1 3.3Å; P415-R418 HydrophobicContact CB-CG 4.12Å; Q416-R418 VanDerWaalsContact C-N 3.28Å; R418-I420 HydrophobicContact CG-CD1 4.08Å |
| 419 | E | 96.9 | Very high | 97.5 | Very high | 111 Ų | 111 | 46.6 Ų | 46.6 | 52% | 0.519 | 27% | 0.265 | S | S | . | . | trans | -64 | 137.9 | 172.3 | -60.1 | -61.6 | 162.8 | 0 | 0 | 111 | R89 | R89-E419 VanDerWaalsContact CG-O 3.25Å; R89-E419 WeakPolarHBondContact CG-O 3.48Å; R89-E419 PolarHBondContact NH1-O 3.4Å | ||
| 420 | I | 98.3 | Very high | 97.5 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 16% | 0.159 | 27% | 0.265 | C | S | . | . | trans | -117.3 | 122.4 | 169.3 | -59.8 | -61.4 | 0 | 0 | 0 | 106.2 | R89 F403 I414 R418 | R89-I420 HydrophobicContact CG-CD1 3.98Å; F403-I420 HydrophobicContact CD1-CD1 4.4Å; F403-I420 HydrophobicContact CD1-CG2 3.94Å; F403-I420 HydrophobicContact CE1-CD1 3.75Å; F403-I420 HydrophobicContact CE1-CG1 4.24Å; F403-I420 HydrophobicContact CE1-CG2 4.2Å; F403-I420 HydrophobicContact CZ-CD1 4.23Å; I414-I420 HydrophobicContact CG2-CB 4.33Å; I414-I420 HydrophobicContact CG2-CG1 3.75Å; R418-I420 HydrophobicContact CG-CD1 4.08Å | ||
| 421 | D | 98.6 | Very high | 97.4 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | trans | -89.9 | -22.2 | -174.8 | -57.3 | -74.6 | 0 | 0 | 0 | 112 | G88 R89 Y90 R93 M400 | G88-D421 PolarHBondContact O-N 3.47Å; R89-D421 VanDerWaalsContact CA-OD2 3.28Å; R89-D421 WeakPolarHBondContact CA-OD2 3.08Å; Y90-D421 HydrophobicContact CD2-CB 3.78Å; Y90-D421 VanDerWaalsContact CD2-OD1 3.28Å; Y90-D421 WeakPolarHBondContact CD2-OD1 3.29Å; Y90-D421 WeakPolarHBondContact CD2-OD2 3.35Å; Y90-D421 HydrophobicContact CE2-CB 3.73Å; Y90-D421 PolarHBondContact N-OD2 2.9Å; R93-D421 WeakPolarHBondContact CD-OD2 3.2Å; R93-D421 IonicContact CZ-OD1 3.65Å; R93-D421 VanDerWaalsContact CZ-OD1 3.27Å; R93-D421 IonicContact CZ-OD2 2.74Å; R93-D421 VanDerWaalsContact NE-CG 3.29Å; R93-D421 IonicContact NE-OD1 3.2Å; R93-D421 PolarHBondContact NE-OD1 2.93Å; R93-D421 IonicContact NE-OD2 2.85Å; R93-D421 PolarHBondContact NE-OD2 3.03Å; R93-D421 IonicContact NH2-OD1 4Å; R93-D421 PolarHBondContact NH2-OD1 2.91Å; M400-D421 HydrophobicContact CE-CB 4.01Å; M400-D421 HydrophobicContact SD-CB 3.97Å | ||
| 422 | G | 98.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | trans | -72.2 | 154.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G88 D401 | G88-G422 PolarHBondContact O-N 3.07Å; D401-G422 VanDerWaalsContact OD1-CA 3.25Å; D401-G422 WeakPolarHBondContact OD1-CA 3.11Å | ||
| 423 | H | 98.5 | Very high | 97.5 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | trans | -120.8 | 147.3 | 174.4 | -64.9 | -59.5 | 0 | 0 | 0 | 112.2 | D401 P404 L425 N437 H438 | D401-H423 WeakPolarHBondContact CA-O 3.45Å; D401-H423 WeakPolarHBondContact CB-O 3.36Å; D401-H423 PolarHBondContact OD1-N 2.8Å; P404-H423 WeakPolarHBondContact CG-O 3.5Å; H423-L425 PolarHBondContact O-N 3.31Å; H423-N437 HydrophobicContact CB-CB 3.88Å; H423-H438 AromaticContact CD2-CE1 3.33Å; H423-H438 PolarHBondContact CD2-CE1 3.02Å; H423-H438 AromaticContact CD2-CG 3.93Å; H423-H438 AromaticContact CD2-ND1 3.51Å; H423-H438 AromaticContact CD2-NE2 3.69Å; H423-H438 AromaticContact NE2-ND1 4Å | ||
| 424 | D | 98.5 | Very high | 97.4 | Very high | 44 Ų | 44 | 58.8 Ų | 58.8 | 24% | 0.235 | 30% | 0.296 | C | S | . | . | trans | -64.9 | 127.6 | 174.5 | 178.9 | 28.2 | 0 | 0 | 0 | 111 | T405 H408 M426 | T405-D424 VanDerWaalsContact CA-OD1 3.3Å; T405-D424 WeakPolarHBondContact CA-OD1 3.48Å; T405-D424 WeakPolarHBondContact CB-OD1 3.42Å; T405-D424 WeakPolarHBondContact OG1-CA 3.24Å; T405-D424 PolarHBondContact OG1-OD1 3.49Å; H408-D424 IonicContact CE1-OD2 3.87Å; H408-D424 IonicContact CG-OD2 3.9Å; H408-D424 IonicContact ND1-OD2 2.95Å; H408-D424 PolarHBondContact ND1-OD2 2.87Å; D424-M426 PolarHBondContact OD1-N 2.57Å; D424-M426 VanDerWaalsContact OD1-N 3.09Å | ||
| 425 | L | 98.5 | Very high | 97.4 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | trans | -88.5 | -11.4 | -179.7 | -59.3 | 179.2 | 0 | 0 | 0 | 113.9 | T397 D401 T405 H423 D427 L428 L429 | T397-L425 HydrophobicContact CG2-CD2 3.7Å; D401-L425 HydrophobicContact CB-CD1 3.76Å; D401-L425 HydrophobicContact CB-CD2 3.76Å; D401-L425 HydrophobicContact CB-CG 3.64Å; T405-L425 PolarHBondContact OG1-N 2.84Å; H423-L425 PolarHBondContact O-N 3.31Å; L425-D427 PolarHBondContact O-N 2.8Å; L425-L428 HydrophobicContact CD2-CD2 4.38Å; L425-L428 CarbonylContact O-C 3.6Å; L425-L428 WeakPolarHBondContact O-CA 3.44Å; L425-L428 WeakPolarHBondContact O-CB 3.41Å; L425-L428 PolarHBondContact O-N 3.3Å; L425-L429 HydrophobicContact CB-CD1 3.7Å; L425-L429 HydrophobicContact CB-CG 3.92Å; L425-L429 VanDerWaalsContact O-CG 3.25Å; L425-L429 WeakPolarHBondContact O-CG 3.33Å; L425-L429 PolarHBondContact O-N 3.18Å | ||
| 426 | M | 98.1 | Very high | 97.5 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.2 | -44.9 | -167.1 | -75.9 | -55 | -56.8 | 0 | 0 | 114 | W383 T405 L409 D424 L428 L429 Q430 | W383-M426 HydrophobicContact CE3-CE 4.37Å; W383-M426 HydrophobicContact CZ3-CE 4.22Å; T405-M426 HydrophobicContact CG2-CG 4.03Å; T405-M426 HydrophobicContact CG2-SD 4.14Å; L409-M426 HydrophobicContact CD1-CG 4.22Å; L409-M426 HydrophobicContact CD1-SD 3.84Å; L409-M426 HydrophobicContact CD2-CE 4.33Å; L409-M426 HydrophobicContact CD2-CG 3.95Å; L409-M426 HydrophobicContact CD2-SD 4.12Å; L409-M426 HydrophobicContact CG-CG 4.15Å; L409-M426 HydrophobicContact CG-SD 4.34Å; D424-M426 PolarHBondContact OD1-N 2.57Å; D424-M426 VanDerWaalsContact OD1-N 3.09Å; M426-L428 VanDerWaalsContact C-N 3.29Å; M426-L428 PolarHBondContact O-N 3.46Å; M426-L429 PolarHBondContact O-N 3.05Å; M426-L429 HydrophobicContact SD-CD1 4.09Å; M426-Q430 HydrophobicContact CE-CG 3.95Å; M426-Q430 VanDerWaalsContact O-CB 3.25Å; M426-Q430 WeakPolarHBondContact O-CB 3.46Å; M426-Q430 WeakPolarHBondContact O-CG 3.4Å; M426-Q430 PolarHBondContact O-N 2.97Å; M426-Q430 PolarHBondContact O-OE1 2.79Å |
| 427 | D | 98.1 | Very high | 97.5 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.3 | -36 | 177.7 | -76 | -22.2 | 0 | 0 | 0 | 112.1 | L425 G431 R432 A433 | L425-D427 PolarHBondContact O-N 2.8Å; D427-G431 PolarHBondContact O-N 2.9Å; D427-G431 VanDerWaalsContact O-N 3.11Å; D427-R432 HydrophobicContact CB-CB 4.16Å; D427-R432 PolarHBondContact O-N 3.47Å; D427-R432 WeakPolarHBondContact OD1-CD 3.49Å; D427-R432 IonicContact OD1-CZ 2.69Å; D427-R432 IonicContact OD1-NE 2.86Å; D427-R432 IonicContact OD1-NH1 3.74Å; D427-R432 PolarHBondContact OD1-NH1 3.28Å; D427-A433 HydrophobicContact CB-CB 4.04Å; D427-A433 PolarHBondContact O-N 3.46Å |
| 428 | L | 98.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.2 | -49.5 | 174.9 | -178.1 | 62.9 | 0 | 0 | 0 | 110.8 | R391 I393 E395 T397 L425 M426 Q430 G431 | R391-L428 PolarHBondContact NH1-O 2.94Å; R391-L428 PolarHBondContact NH2-O 2.74Å; I393-L428 HydrophobicContact CD1-CD1 4.46Å; I393-L428 HydrophobicContact CD1-CG 4.01Å; I393-L428 HydrophobicContact CG2-CD1 4.08Å; I393-L428 HydrophobicContact CG2-CD2 4.04Å; I393-L428 HydrophobicContact CG2-CG 4.08Å; E395-L428 HydrophobicContact CB-CD1 4.44Å; E395-L428 HydrophobicContact CB-CD2 4.24Å; E395-L428 HydrophobicContact CG-CD1 4.24Å; T397-L428 HydrophobicContact CG2-CD2 3.8Å; L425-L428 HydrophobicContact CD2-CD2 4.38Å; L425-L428 CarbonylContact O-C 3.6Å; L425-L428 WeakPolarHBondContact O-CA 3.44Å; L425-L428 WeakPolarHBondContact O-CB 3.41Å; L425-L428 PolarHBondContact O-N 3.3Å; M426-L428 VanDerWaalsContact C-N 3.29Å; M426-L428 PolarHBondContact O-N 3.46Å; L428-Q430 VanDerWaalsContact C-N 3.32Å; L428-Q430 PolarHBondContact O-N 2.84Å; L428-G431 PolarHBondContact O-N 2.81Å |
| 429 | L | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 179.7 | -64.6 | 166.7 | 0 | 0 | 0 | 111.9 | V66 L68 L381 I387 P388 R391 I393 L425 M426 G431 | V66-L429 HydrophobicContact CB-CD2 4.04Å; V66-L429 HydrophobicContact CG1-CD2 3.84Å; V66-L429 HydrophobicContact CG2-CD2 4.28Å; L68-L429 HydrophobicContact CD2-CD2 4.38Å; L381-L429 HydrophobicContact CB-CD2 4.23Å; L381-L429 HydrophobicContact CD1-CD2 4.34Å; L381-L429 HydrophobicContact CD2-CD1 3.6Å; L381-L429 HydrophobicContact CD2-CD2 4.16Å; L381-L429 HydrophobicContact CG-CD2 4.48Å; I387-L429 HydrophobicContact CD1-CB 4.33Å; I387-L429 HydrophobicContact CD1-CD1 4.11Å; I387-L429 HydrophobicContact CG1-CB 4.32Å; P388-L429 WeakPolarHBondContact CD-O 3.39Å; R391-L429 PolarHBondContact NH1-O 3.35Å; I393-L429 HydrophobicContact CD1-CD2 4.46Å; L425-L429 HydrophobicContact CB-CD1 3.7Å; L425-L429 HydrophobicContact CB-CG 3.92Å; L425-L429 VanDerWaalsContact O-CG 3.25Å; L425-L429 WeakPolarHBondContact O-CG 3.33Å; L425-L429 PolarHBondContact O-N 3.18Å; M426-L429 PolarHBondContact O-N 3.05Å; M426-L429 HydrophobicContact SD-CD1 4.09Å; L429-G431 VanDerWaalsContact C-N 3.29Å; L429-G431 PolarHBondContact O-N 2.95Å |
| 430 | Q | 97.9 | Very high | 97.7 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -80.8 | -9 | -179.2 | -66.7 | -179.4 | -52.8 | 0 | 0 | 113.6 | Q386 M426 L428 R432 | Q386-Q430 WeakPolarHBondContact O-CG 3.48Å; Q386-Q430 PolarHBondContact O-NE2 2.79Å; Q386-Q430 VanDerWaalsContact O-NE2 3.08Å; M426-Q430 HydrophobicContact CE-CG 3.95Å; M426-Q430 VanDerWaalsContact O-CB 3.25Å; M426-Q430 WeakPolarHBondContact O-CB 3.46Å; M426-Q430 WeakPolarHBondContact O-CG 3.4Å; M426-Q430 PolarHBondContact O-N 2.97Å; M426-Q430 PolarHBondContact O-OE1 2.79Å; L428-Q430 VanDerWaalsContact C-N 3.32Å; L428-Q430 PolarHBondContact O-N 2.84Å; Q430-R432 VanDerWaalsContact C-N 3.32Å; Q430-R432 HydrophobicContact CB-CG 4.14Å; Q430-R432 VanDerWaalsContact CD-NH2 3.33Å |
| 431 | G | 96.4 | Very high | 97.7 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 44% | 0.443 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 19.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D427 L428 L429 | D427-G431 PolarHBondContact O-N 2.9Å; D427-G431 VanDerWaalsContact O-N 3.11Å; L428-G431 PolarHBondContact O-N 2.81Å; L429-G431 VanDerWaalsContact C-N 3.29Å; L429-G431 PolarHBondContact O-N 2.95Å |
| 432 | R | 97.5 | Very high | 97.7 | Very high | 165 Ų | 165 | 49.3 Ų | 49.3 | 62% | 0.623 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -82.7 | -25 | 171.8 | -52.8 | -172.6 | -154.2 | 147.8 | -8.1 | 111.7 | D427 Q430 | D427-R432 HydrophobicContact CB-CB 4.16Å; D427-R432 PolarHBondContact O-N 3.47Å; D427-R432 WeakPolarHBondContact OD1-CD 3.49Å; D427-R432 IonicContact OD1-CZ 2.69Å; D427-R432 IonicContact OD1-NE 2.86Å; D427-R432 IonicContact OD1-NH1 3.74Å; D427-R432 PolarHBondContact OD1-NH1 3.28Å; Q430-R432 VanDerWaalsContact C-N 3.32Å; Q430-R432 HydrophobicContact CB-CG 4.14Å; Q430-R432 VanDerWaalsContact CD-NH2 3.33Å |
| 433 | A | 96.9 | Very high | 97.7 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 26% | 0.256 | 25% | 0.245 | S | C | . | . | trans | -115.8 | 138.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | D427 | D427-A433 HydrophobicContact CB-CB 4.04Å; D427-A433 PolarHBondContact O-N 3.46Å | ||
| 434 | E | 94.7 | Very high | 97.7 | Very high | 178 Ų | 178 | 46.7 Ų | 46.7 | 83% | 0.832 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -86.3 | -25.7 | 173.7 | -65.9 | -175.1 | 168.8 | 0 | 0 | 112.2 | ||
| 435 | R | 96.3 | Very high | 97.6 | Very high | 94 Ų | 94 | 45 Ų | 45 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -116.9 | 147.8 | -178.2 | -68.7 | -168.6 | -177.4 | -130.8 | 2.8 | 112.6 | E395 H455 P456 P457 S459 | E395-R435 VanDerWaalsContact OE2-CA 3.32Å; E395-R435 WeakPolarHBondContact OE2-CA 3.47Å; R435-H455 PolarHBondContact NH1-CE1 2.54Å; R435-H455 VanDerWaalsContact NH1-CE1 3.35Å; R435-H455 PolarHBondContact NH1-NE2 3.13Å; R435-P456 PolarHBondContact NH1-O 2.95Å; R435-P457 PolarHBondContact NH1-O 2.95Å; R435-P457 VanDerWaalsContact NH1-O 3.16Å; R435-P457 PolarHBondContact NH2-O 2.97Å; R435-S459 PolarHBondContact NH1-O 2.87Å; R435-S459 PolarHBondContact NH2-O 3.49Å |
| 436 | S | 96.9 | Very high | 97.4 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | trans | -69.6 | 157.8 | 164.9 | 65 | 0 | 0 | 0 | 0 | 110.7 | E395 P396 H438 | E395-S436 PolarHBondContact OE2-N 3.33Å; E395-S436 PolarHBondContact OE2-OG 2.87Å; P396-S436 WeakPolarHBondContact O-CB 3.38Å; P396-S436 PolarHBondContact O-OG 2.78Å; S436-H438 PolarHBondContact O-N 2.72Å | ||
| 437 | N | 96.8 | Very high | 97.2 | Very high | 114 Ų | 114 | 46.2 Ų | 46.2 | 61% | 0.61 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -78.3 | 1.6 | 172.1 | -69.6 | -39.8 | 0 | 0 | 0 | 112.8 | H423 E439 | H423-N437 HydrophobicContact CB-CB 3.88Å; N437-E439 PolarHBondContact O-N 2.75Å; N437-E439 VanDerWaalsContact O-N 3.14Å |
| 438 | H | 97.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | trans | -85.4 | 77.1 | -179.8 | -76.7 | -60.5 | 0 | 0 | 0 | 112 | P396 D401 H423 S436 L441 | P396-H438 HydrophobicContact CB-CB 4.39Å; P396-H438 PolarHBondContact O-CD2 3.08Å; D401-H438 IonicContact OD1-CD2 3.83Å; D401-H438 IonicContact OD1-CE1 3.97Å; D401-H438 PolarHBondContact OD1-CE1 3.29Å; D401-H438 IonicContact OD1-NE2 3.57Å; D401-H438 PolarHBondContact OD1-NE2 3.29Å; D401-H438 IonicContact OD2-CD2 2.92Å; D401-H438 PolarHBondContact OD2-CD2 3.5Å; D401-H438 IonicContact OD2-NE2 2.75Å; D401-H438 PolarHBondContact OD2-NE2 2.69Å; H423-H438 AromaticContact CD2-CE1 3.33Å; H423-H438 PolarHBondContact CD2-CE1 3.02Å; H423-H438 AromaticContact CD2-CG 3.93Å; H423-H438 AromaticContact CD2-ND1 3.51Å; H423-H438 AromaticContact CD2-NE2 3.69Å; H423-H438 AromaticContact NE2-ND1 4Å; S436-H438 PolarHBondContact O-N 2.72Å; H438-L441 HydrophobicContact CB-CD1 4.11Å; H438-L441 HydrophobicContact CB-CG 4.1Å; H438-L441 WeakPolarHBondContact ND1-CD2 3.23Å | ||
| 439 | E | 97.6 | Very high | 97.1 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -66.2 | -43.5 | 166.3 | -178.5 | 176.8 | 167.9 | 0 | 0 | 110.6 | N437 W454 H455 P457 | N437-E439 PolarHBondContact O-N 2.75Å; N437-E439 VanDerWaalsContact O-N 3.14Å; E439-W454 CarbonylContact O-C 3.53Å; E439-W454 WeakPolarHBondContact O-CA 3.44Å; E439-W454 PolarHBondContact OE1-NE1 2.88Å; E439-H455 PolarHBondContact O-N 2.72Å; E439-P457 HydrophobicContact CG-CG 4.46Å |
| 440 | F | 98.6 | Very high | 97.1 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.4 | 178.2 | -71.8 | -83.2 | 0 | 0 | 0 | 111.7 | F442 V452 R453 W454 M529 A532 | F440-F442 HydrophobicContact CB-CE2 4.12Å; F440-F442 HydrophobicContact CB-CZ 3.91Å; F440-V452 HydrophobicContact CD1-CG2 4.15Å; F440-R453 WeakPolarHBondContact CA-O 3.43Å; F440-W454 HydrophobicContact CD1-CB 3.82Å; F440-W454 AromaticContact CD1-CD1 3.6Å; F440-W454 AromaticContact CD1-CG 3.9Å; F440-W454 HydrophobicContact CD1-CG 3.9Å; F440-W454 AromaticContact CD2-CD1 3.97Å; F440-W454 HydrophobicContact CE1-CB 3.59Å; F440-W454 AromaticContact CE1-CD1 3.13Å; F440-W454 HydrophobicContact CE1-CD2 4.06Å; F440-W454 AromaticContact CE1-CG 3.32Å; F440-W454 HydrophobicContact CE1-CG 3.32Å; F440-W454 AromaticContact CE1-NE1 3.74Å; F440-W454 AromaticContact CE2-CD1 3.54Å; F440-W454 HydrophobicContact CE2-CG 4.48Å; F440-W454 AromaticContact CE2-NE1 3.57Å; F440-W454 HydrophobicContact CZ-CB 4.42Å; F440-W454 AromaticContact CZ-CD1 3.1Å; F440-W454 HydrophobicContact CZ-CD2 4.1Å; F440-W454 AromaticContact CZ-CE2 3.84Å; F440-W454 AromaticContact CZ-CG 3.67Å; F440-W454 HydrophobicContact CZ-CG 3.67Å; F440-W454 AromaticContact CZ-NE1 3.2Å; F440-M529 HydrophobicContact CE1-CG 4.34Å; F440-A532 HydrophobicContact CD1-CB 3.52Å; F440-A532 HydrophobicContact CD2-CB 3.87Å; F440-A532 HydrophobicContact CE1-CB 3.37Å; F440-A532 HydrophobicContact CE2-CB 3.74Å; F440-A532 HydrophobicContact CG-CB 3.76Å; F440-A532 HydrophobicContact CZ-CB 3.49Å; F440-A532 VanDerWaalsContact CZ-CB 3.49Å |
| 441 | L | 98.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.3 | 170.1 | -79.5 | 164.5 | 0 | 0 | 0 | 109.4 | V72 P396 H438 R453 | V72-L441 HydrophobicContact CG2-CD1 4Å; P396-L441 HydrophobicContact CB-CD1 3.91Å; H438-L441 HydrophobicContact CB-CD1 4.11Å; H438-L441 HydrophobicContact CB-CG 4.1Å; H438-L441 WeakPolarHBondContact ND1-CD2 3.23Å; L441-R453 HydrophobicContact CB-CB 4.18Å; L441-R453 PolarHBondContact N-O 2.77Å; L441-R453 PolarHBondContact O-N 2.81Å |
| 442 | F | 98.8 | Very high | 97.3 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.6 | -176.2 | -56.9 | -80.6 | 0 | 0 | 0 | 109.6 | Y90 F440 Y444 L449 V452 A532 V533 H536 | Y90-F442 HydrophobicContact CE1-CB 4.33Å; Y90-F442 WeakPolarHBondContact CE1-O 3.43Å; Y90-F442 HydrophobicContact CE2-CB 4.37Å; Y90-F442 HydrophobicContact CE2-CD2 4.01Å; Y90-F442 PolarHBondContact OH-N 3.31Å; F440-F442 HydrophobicContact CB-CE2 4.12Å; F440-F442 HydrophobicContact CB-CZ 3.91Å; F442-Y444 HydrophobicContact CB-CD2 4.44Å; F442-Y444 HydrophobicContact CB-CE2 4.08Å; F442-L449 HydrophobicContact CB-CD1 3.98Å; F442-L449 HydrophobicContact CD1-CD1 4.44Å; F442-V452 HydrophobicContact CD1-CB 4.34Å; F442-V452 HydrophobicContact CD1-CG2 3.81Å; F442-V452 HydrophobicContact CE1-CG2 3.78Å; F442-A532 HydrophobicContact CZ-CB 4.38Å; F442-V533 HydrophobicContact CD1-CG2 4.05Å; F442-V533 HydrophobicContact CE1-CG2 3.83Å; F442-H536 HydrophobicContact CD1-CB 4.17Å; F442-H536 AromaticContact CD1-CD2 3.99Å; F442-H536 AromaticContact CD1-CG 3.99Å; F442-H536 HydrophobicContact CD2-CB 4.18Å; F442-H536 AromaticContact CD2-CE1 3.74Å; F442-H536 AromaticContact CD2-CG 3.6Å; F442-H536 AromaticContact CD2-ND1 3.41Å; F442-H536 WeakPolarHBondContact CD2-ND1 3.38Å; F442-H536 HydrophobicContact CE1-CB 3.66Å; F442-H536 AromaticContact CE1-CG 3.97Å; F442-H536 HydrophobicContact CE2-CB 3.67Å; F442-H536 AromaticContact CE2-CG 3.59Å; F442-H536 AromaticContact CE2-ND1 3.52Å; F442-H536 HydrophobicContact CG-CB 4.41Å; F442-H536 AromaticContact CG-CD2 3.81Å; F442-H536 AromaticContact CG-CG 3.81Å; F442-H536 HydrophobicContact CZ-CB 3.39Å; F442-H536 AromaticContact CZ-CG 3.78Å |
| 443 | H | 98.7 | Very high | 97.3 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 107.2 | -175.4 | -55.1 | -62.8 | 0 | 0 | 0 | 109.6 | N370 I375 N450 A451 R453 | N370-H443 HydrophobicContact CB-CB 3.99Å; I375-H443 WeakPolarHBondContact CD1-ND1 3.34Å; H443-N450 WeakPolarHBondContact O-CB 3.28Å; H443-N450 PolarHBondContact O-N 2.82Å; H443-A451 WeakPolarHBondContact CA-O 3.44Å; H443-A451 HydrophobicContact CB-CB 4.09Å; H443-A451 PolarHBondContact N-O 3.09Å; H443-A451 PolarHBondContact O-N 3.33Å; H443-A451 VanDerWaalsContact O-N 3.07Å; H443-R453 VanDerWaalsContact NE2-CB 3.29Å; H443-R453 WeakPolarHBondContact NE2-CB 3.32Å |
| 444 | Y | 98.2 | Very high | 97.4 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 137 | 178.2 | -80.4 | -93.2 | 0 | 0 | 0 | 111 | Y90 I92 N370 F442 N446 Y448 L449 H536 | Y90-Y444 HydrophobicContact CD1-CD2 4.32Å; I92-Y444 HydrophobicContact CB-CE1 4.28Å; I92-Y444 HydrophobicContact CG1-CE1 4.34Å; I92-Y444 HydrophobicContact CG2-CE1 4.18Å; I92-Y444 HydrophobicContact CG2-CE2 4.17Å; N370-Y444 PolarHBondContact ND2-O 2.88Å; N370-Y444 PolarHBondContact OD1-O 2.86Å; F442-Y444 HydrophobicContact CB-CD2 4.44Å; F442-Y444 HydrophobicContact CB-CE2 4.08Å; Y444-N446 WeakPolarHBondContact CB-O 3.28Å; Y444-Y448 CarbonylContact C-O 3.53Å; Y444-Y448 WeakPolarHBondContact CA-O 3.48Å; Y444-L449 HydrophobicContact CD1-CB 4.29Å; Y444-L449 HydrophobicContact CD2-CD1 4.12Å; Y444-L449 HydrophobicContact CE1-CB 3.87Å; Y444-L449 HydrophobicContact CE1-CD1 4.33Å; Y444-L449 HydrophobicContact CE2-CD1 3.82Å; Y444-L449 HydrophobicContact CG-CD1 4.5Å; Y444-H536 AromaticContact CE2-NE2 3.46Å; Y444-H536 WeakPolarHBondContact CE2-NE2 3.07Å; Y444-H536 AromaticContact CZ-NE2 3.68Å; Y444-H536 PolarHBondContact OH-CD2 2.67Å; Y444-H536 PolarHBondContact OH-NE2 3.2Å |
| 445 | C | 96.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 26.7 Ų | 26.7 | 5% | 0.054 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 98.9 | 164.4 | -163.3 | 0 | 0 | 0 | 0 | 106.6 | N370 S447 Y448 N450 F468 C488 | N370-C445 PolarHBondContact ND2-N 3.14Å; C445-S447 PolarHBondContact O-N 3.13Å; C445-Y448 PolarHBondContact N-O 3.31Å; C445-Y448 WeakPolarHBondContact O-CB 3.17Å; C445-Y448 WeakPolarHBondContact O-CD2 3.46Å; C445-Y448 PolarHBondContact O-N 3.06Å; C445-N450 HydrophobicContact CB-CB 3.77Å; C445-F468 HydrophobicContact CB-CE2 4.3Å; C445-F468 HydrophobicContact CB-CZ 4.09Å; C445-C488 VanDerWaalsContact CA-SG 3.52Å; C445-C488 HydrophobicContact CB-CB 3.64Å; C445-C488 WeakPolarHBondContact CB-SG 3.4Å; C445-C488 PolarHBondContact O-SG 3.06Å; C445-C488 VanDerWaalsContact O-SG 3.41Å; C445-C488 WeakPolarHBondContact SG-CB 3.4Å; C445-C488 CovalentContact SG-SG 2.01Å; C445-C488 PolarHBondContact SG-SG 3.2Å |
| 446 | N | 93.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 22.9 Ų | 22.9 | 8% | 0.075 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | -117.3 | -162.4 | -58.6 | -31.7 | 0 | 0 | 0 | 111.7 | L77 G98 G103 Y444 | L77-N446 WeakPolarHBondContact CD1-OD1 3.45Å; G98-N446 WeakPolarHBondContact O-CB 3.25Å; G103-N446 WeakPolarHBondContact CA-OD1 3.35Å; Y444-N446 WeakPolarHBondContact CB-O 3.28Å |
| 447 | S | 94.9 | Very high | 97.5 | Very high | 24 Ų | 24 | 25.3 Ų | 25.3 | 17% | 0.168 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -2.3 | 176.2 | 36.8 | 0 | 0 | 0 | 0 | 114.2 | G98 N99 C445 | G98-S447 PolarHBondContact O-OG 3.36Å; G98-S447 VanDerWaalsContact O-OG 3.13Å; N99-S447 PolarHBondContact N-OG 3.45Å; N99-S447 WeakPolarHBondContact OD1-CB 3.48Å; N99-S447 PolarHBondContact OD1-OG 2.93Å; C445-S447 PolarHBondContact O-N 3.13Å |
| 448 | Y | 96.5 | Very high | 97.2 | Very high | 56 Ų | 56 | 27.7 Ų | 27.7 | 22% | 0.22 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120.8 | 178.9 | -56.6 | -84.6 | 0 | 0 | 0 | 110 | N99 Y444 C445 N450 C488 | N99-Y448 HydrophobicContact CB-CE2 4.35Å; N99-Y448 WeakPolarHBondContact CB-OH 3.23Å; N99-Y448 PolarHBondContact O-OH 2.97Å; Y444-Y448 CarbonylContact C-O 3.53Å; Y444-Y448 WeakPolarHBondContact CA-O 3.48Å; C445-Y448 PolarHBondContact N-O 3.31Å; C445-Y448 WeakPolarHBondContact O-CB 3.17Å; C445-Y448 WeakPolarHBondContact O-CD2 3.46Å; C445-Y448 PolarHBondContact O-N 3.06Å; Y448-N450 PolarHBondContact O-N 2.82Å; Y448-N450 VanDerWaalsContact O-N 3.12Å; Y448-C488 HydrophobicContact CD2-CB 3.61Å; Y448-C488 HydrophobicContact CE2-CB 4.18Å; Y448-C488 HydrophobicContact CG-CB 4.4Å |
| 449 | L | 97.8 | Very high | 97 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 11% | 0.11 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 111.4 | 171.5 | 179.7 | 64.7 | 0 | 0 | 0 | 108.8 | F442 Y444 Y467 F468 V533 | F442-L449 HydrophobicContact CB-CD1 3.98Å; F442-L449 HydrophobicContact CD1-CD1 4.44Å; Y444-L449 HydrophobicContact CD1-CB 4.29Å; Y444-L449 HydrophobicContact CD2-CD1 4.12Å; Y444-L449 HydrophobicContact CE1-CB 3.87Å; Y444-L449 HydrophobicContact CE1-CD1 4.33Å; Y444-L449 HydrophobicContact CE2-CD1 3.82Å; Y444-L449 HydrophobicContact CG-CD1 4.5Å; L449-Y467 HydrophobicContact CD2-CE2 4.33Å; L449-Y467 HydrophobicContact CG-CE2 4.44Å; L449-F468 WeakPolarHBondContact O-CE1 3.4Å; L449-V533 HydrophobicContact CD2-CB 4.25Å; L449-V533 HydrophobicContact CD2-CG1 3.37Å; L449-V533 HydrophobicContact CD2-CG2 3.88Å |
| 450 | N | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -45.1 | -168.4 | 173 | -115.7 | 0 | 0 | 0 | 112.9 | N370 H443 C445 Y448 Y467 F468 | N370-N450 VanDerWaalsContact CB-OD1 3.28Å; N370-N450 WeakPolarHBondContact CB-OD1 3.29Å; N370-N450 VanDerWaalsContact ND2-CB 3.34Å; N370-N450 WeakPolarHBondContact ND2-CB 3.5Å; N370-N450 PolarHBondContact ND2-OD1 3.13Å; H443-N450 WeakPolarHBondContact O-CB 3.28Å; H443-N450 PolarHBondContact O-N 2.82Å; C445-N450 HydrophobicContact CB-CB 3.77Å; Y448-N450 PolarHBondContact O-N 2.82Å; Y448-N450 VanDerWaalsContact O-N 3.12Å; N450-Y467 PolarHBondContact O-N 2.82Å; N450-F468 VanDerWaalsContact CA-CE1 3.49Å; N450-F468 HydrophobicContact CB-CE1 3.81Å; N450-F468 HydrophobicContact CB-CE2 4.05Å; N450-F468 HydrophobicContact CB-CZ 3.52Å; N450-F468 WeakPolarHBondContact ND2-CD2 3.28Å; N450-F468 WeakPolarHBondContact ND2-CE2 3.29Å; N450-F468 WeakPolarHBondContact ND2-CG 3.42Å; N450-F468 WeakPolarHBondContact ND2-CZ 3.45Å; N450-F468 PolarHBondContact ND2-O 3.27Å |
| 451 | A | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 161.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | H443 K464 A465 F466 | H443-A451 WeakPolarHBondContact CA-O 3.44Å; H443-A451 HydrophobicContact CB-CB 4.09Å; H443-A451 PolarHBondContact N-O 3.09Å; H443-A451 PolarHBondContact O-N 3.33Å; H443-A451 VanDerWaalsContact O-N 3.07Å; A451-K464 HydrophobicContact CB-CG 4.5Å; A451-A465 CarbonylContact C-O 3.58Å; A451-A465 WeakPolarHBondContact CA-O 3.4Å; A451-A465 VanDerWaalsContact CB-O 3.28Å; A451-A465 WeakPolarHBondContact CB-O 3.5Å; A451-F466 HydrophobicContact CB-CD1 3.71Å; A451-F466 HydrophobicContact CB-CD2 4.48Å; A451-F466 HydrophobicContact CB-CE1 3.93Å; A451-F466 HydrophobicContact CB-CG 4.02Å; A451-F466 HydrophobicContact CB-CZ 4.42Å |
| 452 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.7 | 170.4 | 57.5 | 0 | 0 | 0 | 0 | 108.2 | F440 F442 K464 A465 Y467 M529 V533 | F440-V452 HydrophobicContact CD1-CG2 4.15Å; F442-V452 HydrophobicContact CD1-CB 4.34Å; F442-V452 HydrophobicContact CD1-CG2 3.81Å; F442-V452 HydrophobicContact CE1-CG2 3.78Å; V452-K464 WeakPolarHBondContact O-CA 3.5Å; V452-A465 HydrophobicContact CG1-CB 4.26Å; V452-A465 PolarHBondContact N-O 3.21Å; V452-A465 PolarHBondContact O-N 2.86Å; V452-Y467 HydrophobicContact CG1-CE2 4.2Å; V452-M529 HydrophobicContact CG1-CB 3.86Å; V452-M529 HydrophobicContact CG1-CE 3.73Å; V452-M529 HydrophobicContact CG1-CG 4.38Å; V452-M529 WeakPolarHBondContact O-CE 3.14Å; V452-V533 HydrophobicContact CB-CG2 4Å; V452-V533 HydrophobicContact CG1-CG2 4.06Å; V452-V533 HydrophobicContact CG2-CG2 4.11Å |
| 453 | R | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 138.4 | 173.2 | 176.4 | -172.5 | -67.4 | 168.7 | -2.9 | 108.7 | H70 V72 E372 F440 L441 H443 V462 W463 | H70-R453 PolarHBondContact CD2-NH1 3.23Å; H70-R453 VanDerWaalsContact CD2-NH1 3.26Å; H70-R453 PolarHBondContact NE2-NE 3.23Å; H70-R453 PolarHBondContact NE2-NH1 2.6Å; H70-R453 VanDerWaalsContact NE2-NH1 3.14Å; V72-R453 VanDerWaalsContact CG1-NH2 3.35Å; E372-R453 IonicContact OE1-CZ 3.48Å; E372-R453 IonicContact OE1-NH2 3.7Å; E372-R453 PolarHBondContact OE1-NH2 3.07Å; E372-R453 IonicContact OE2-CZ 3.61Å; E372-R453 IonicContact OE2-NH2 3.48Å; E372-R453 PolarHBondContact OE2-NH2 3.33Å; F440-R453 WeakPolarHBondContact CA-O 3.43Å; L441-R453 HydrophobicContact CB-CB 4.18Å; L441-R453 PolarHBondContact N-O 2.77Å; L441-R453 PolarHBondContact O-N 2.81Å; H443-R453 VanDerWaalsContact NE2-CB 3.29Å; H443-R453 WeakPolarHBondContact NE2-CB 3.32Å; R453-V462 HydrophobicContact CG-CG1 3.51Å; R453-W463 CarbonylContact C-O 3.47Å; R453-W463 VanDerWaalsContact CA-O 3.24Å; R453-W463 WeakPolarHBondContact CA-O 3.36Å |
| 454 | W | 98.8 | Very high | 96.8 | Very high | 37 Ų | 37 | 28.8 Ų | 28.8 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 122 | 179.2 | 180 | 42.5 | 0 | 0 | 0 | 110.9 | E439 F440 P456 W463 I525 A528 M529 | E439-W454 CarbonylContact O-C 3.53Å; E439-W454 WeakPolarHBondContact O-CA 3.44Å; E439-W454 PolarHBondContact OE1-NE1 2.88Å; F440-W454 HydrophobicContact CD1-CB 3.82Å; F440-W454 AromaticContact CD1-CD1 3.6Å; F440-W454 AromaticContact CD1-CG 3.9Å; F440-W454 HydrophobicContact CD1-CG 3.9Å; F440-W454 AromaticContact CD2-CD1 3.97Å; F440-W454 HydrophobicContact CE1-CB 3.59Å; F440-W454 AromaticContact CE1-CD1 3.13Å; F440-W454 HydrophobicContact CE1-CD2 4.06Å; F440-W454 AromaticContact CE1-CG 3.32Å; F440-W454 HydrophobicContact CE1-CG 3.32Å; F440-W454 AromaticContact CE1-NE1 3.74Å; F440-W454 AromaticContact CE2-CD1 3.54Å; F440-W454 HydrophobicContact CE2-CG 4.48Å; F440-W454 AromaticContact CE2-NE1 3.57Å; F440-W454 HydrophobicContact CZ-CB 4.42Å; F440-W454 AromaticContact CZ-CD1 3.1Å; F440-W454 HydrophobicContact CZ-CD2 4.1Å; F440-W454 AromaticContact CZ-CE2 3.84Å; F440-W454 AromaticContact CZ-CG 3.67Å; F440-W454 HydrophobicContact CZ-CG 3.67Å; F440-W454 AromaticContact CZ-NE1 3.2Å; W454-P456 HydrophobicContact CD2-CB 4.37Å; W454-P456 HydrophobicContact CD2-CG 4.38Å; W454-P456 HydrophobicContact CH2-CB 4.12Å; W454-P456 HydrophobicContact CH2-CG 4.49Å; W454-P456 HydrophobicContact CZ2-CB 3.65Å; W454-P456 HydrophobicContact CZ2-CG 4.36Å; W454-P456 WeakPolarHBondContact O-CD 3.06Å; W454-W463 AromaticContact CE3-CD1 3.62Å; W454-W463 HydrophobicContact CE3-CG 4.34Å; W454-W463 PolarHBondContact N-O 3.31Å; W454-W463 PolarHBondContact O-N 3.12Å; W454-I525 HydrophobicContact CE3-CG2 4.06Å; W454-I525 HydrophobicContact CZ3-CB 4.3Å; W454-I525 HydrophobicContact CZ3-CG1 4.18Å; W454-I525 HydrophobicContact CZ3-CG2 4.1Å; W454-A528 HydrophobicContact CH2-CB 3.89Å; W454-A528 HydrophobicContact CZ2-CB 4.13Å; W454-A528 HydrophobicContact CZ3-CB 4.14Å; W454-M529 HydrophobicContact CB-CE 4.11Å; W454-M529 HydrophobicContact CB-CG 3.96Å; W454-M529 HydrophobicContact CB-SD 4.44Å; W454-M529 HydrophobicContact CE3-CG 4.25Å; W454-M529 HydrophobicContact CG-CG 4.47Å |
| 455 | H | 98.4 | Very high | 96.8 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 3% | 0.032 | 16% | 0.162 | C | C | . | . | trans | -111.1 | 88.5 | 171.1 | -179.7 | 49.8 | 0 | 0 | 0 | 109.5 | E395 P396 R435 E439 S459 S461 V462 | E395-H455 IonicContact OE1-NE2 3.41Å; E395-H455 PolarHBondContact OE1-NE2 3.24Å; E395-H455 IonicContact OE2-CD2 3.87Å; E395-H455 IonicContact OE2-NE2 2.69Å; P396-H455 HydrophobicContact CG-CB 4.01Å; R435-H455 PolarHBondContact NH1-CE1 2.54Å; R435-H455 VanDerWaalsContact NH1-CE1 3.35Å; R435-H455 PolarHBondContact NH1-NE2 3.13Å; E439-H455 PolarHBondContact O-N 2.72Å; H455-S459 PolarHBondContact CE1-O 3.41Å; H455-S461 PolarHBondContact ND1-O 3.22Å; H455-V462 HydrophobicContact CB-CG2 4.27Å | ||
| 456 | P | 97.4 | Very high | 96.9 | Very high | 15 Ų | 15 | 28 Ų | 28 | 10% | 0.097 | 16% | 0.16 | C | C | . | . | trans | -57.7 | 140 | -176.5 | 16.2 | -30.4 | 0 | 0 | 0 | 113.7 | R435 W454 N458 S459 | R435-P456 PolarHBondContact NH1-O 2.95Å; W454-P456 HydrophobicContact CD2-CB 4.37Å; W454-P456 HydrophobicContact CD2-CG 4.38Å; W454-P456 HydrophobicContact CH2-CB 4.12Å; W454-P456 HydrophobicContact CH2-CG 4.49Å; W454-P456 HydrophobicContact CZ2-CB 3.65Å; W454-P456 HydrophobicContact CZ2-CG 4.36Å; W454-P456 WeakPolarHBondContact O-CD 3.06Å; P456-N458 PolarHBondContact O-N 3.28Å; P456-S459 PolarHBondContact O-N 3.21Å; P456-S459 VanDerWaalsContact O-N 3.13Å; P456-S459 VanDerWaalsContact O-O 3.13Å | ||
| 457 | P | 92.9 | Very high | 97.1 | Very high | 67 Ų | 67 | 29.9 Ų | 29.9 | 44% | 0.435 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.5 | -174.4 | -27.7 | 34.3 | 0 | 0 | 0 | 115.8 | R435 E439 | R435-P457 PolarHBondContact NH1-O 2.95Å; R435-P457 VanDerWaalsContact NH1-O 3.16Å; R435-P457 PolarHBondContact NH2-O 2.97Å; E439-P457 HydrophobicContact CG-CG 4.46Å |
| 458 | N | 90.5 | Very high | 97.3 | Very high | 163 Ų | 163 | 29 Ų | 29 | 87% | 0.872 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 21.4 | -175.3 | -64.3 | -39.8 | 0 | 0 | 0 | 113.1 | P456 | P456-N458 PolarHBondContact O-N 3.28Š|
| 459 | S | 94.4 | Very high | 97.4 | Very high | 41 Ų | 41 | 27.1 Ų | 27.1 | 29% | 0.287 | 15% | 0.154 | S | C | . | . | trans | -144.4 | 158.2 | 177.4 | 165.5 | 0 | 0 | 0 | 0 | 110.9 | R435 H455 P456 S461 | R435-S459 PolarHBondContact NH1-O 2.87Å; R435-S459 PolarHBondContact NH2-O 3.49Å; H455-S459 PolarHBondContact CE1-O 3.41Å; P456-S459 PolarHBondContact O-N 3.21Å; P456-S459 VanDerWaalsContact O-N 3.13Å; P456-S459 VanDerWaalsContact O-O 3.13Å; S459-S461 WeakPolarHBondContact OG-CB 3.4Å; S459-S461 PolarHBondContact OG-N 3.49Å | ||
| 460 | S | 93.6 | Very high | 97.3 | Very high | 97 Ų | 97 | 26.9 Ų | 26.9 | 68% | 0.678 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -92 | -6.1 | 172.1 | 61.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 461 | S | 97.4 | Very high | 97.2 | Very high | 13 Ų | 13 | 29.6 Ų | 29.6 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | trans | -65.8 | 146.9 | 175.2 | -73.3 | 0 | 0 | 0 | 0 | 110.6 | H455 S459 D503 | H455-S461 PolarHBondContact ND1-O 3.22Å; S459-S461 WeakPolarHBondContact OG-CB 3.4Å; S459-S461 PolarHBondContact OG-N 3.49Å; S461-D503 PolarHBondContact OG-OD2 3.28Å | ||
| 462 | V | 98.4 | Very high | 97 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | trans | -125.2 | 104.1 | 169.8 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | P396 R453 H455 D503 L504 | P396-V462 HydrophobicContact CG-CG1 4.47Å; P396-V462 HydrophobicContact CG-CG2 4.26Å; R453-V462 HydrophobicContact CG-CG1 3.51Å; H455-V462 HydrophobicContact CB-CG2 4.27Å; V462-D503 CarbonylContact O-C 3.58Å; V462-L504 HydrophobicContact CB-CB 4.29Å; V462-L504 HydrophobicContact CG1-CB 4.5Å; V462-L504 HydrophobicContact CG1-CD1 4.26Å; V462-L504 WeakPolarHBondContact O-CB 3.39Å; V462-L504 PolarHBondContact O-N 2.98Å | ||
| 463 | W | 98.8 | Very high | 96.7 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 7% | 0.072 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 143.7 | -178.5 | -54.9 | 105.9 | 0 | 0 | 0 | 110.1 | R453 W454 L501 F502 D503 L514 E519 I525 M529 | R453-W463 CarbonylContact C-O 3.47Å; R453-W463 VanDerWaalsContact CA-O 3.24Å; R453-W463 WeakPolarHBondContact CA-O 3.36Å; W454-W463 AromaticContact CE3-CD1 3.62Å; W454-W463 HydrophobicContact CE3-CG 4.34Å; W454-W463 PolarHBondContact N-O 3.31Å; W454-W463 PolarHBondContact O-N 3.12Å; W463-L501 HydrophobicContact CB-CD1 4.27Å; W463-F502 CarbonylContact C-O 3.58Å; W463-F502 WeakPolarHBondContact CA-O 3.26Å; W463-D503 HydrophobicContact CE3-CB 3.78Å; W463-D503 HydrophobicContact CH2-CB 4.17Å; W463-D503 HydrophobicContact CZ3-CB 3.47Å; W463-D503 VanDerWaalsContact CZ3-CB 3.47Å; W463-L514 HydrophobicContact CE3-CD1 4.1Å; W463-L514 HydrophobicContact CH2-CD1 4.47Å; W463-L514 HydrophobicContact CZ3-CD1 3.44Å; W463-L514 VanDerWaalsContact CZ3-CD1 3.44Å; W463-E519 HydrophobicContact CH2-CG 4.37Å; W463-E519 WeakPolarHBondContact CH2-OE2 3.33Å; W463-E519 HydrophobicContact CZ3-CG 4.47Å; W463-I525 HydrophobicContact CB-CG2 4.04Å; W463-I525 HydrophobicContact CD2-CD1 3.96Å; W463-I525 HydrophobicContact CD2-CG2 4.23Å; W463-I525 HydrophobicContact CE3-CD1 4.11Å; W463-I525 HydrophobicContact CG-CG2 3.9Å; W463-I525 HydrophobicContact CH2-CD1 3.93Å; W463-I525 HydrophobicContact CZ2-CD1 3.8Å; W463-I525 HydrophobicContact CZ3-CD1 4.06Å; W463-M529 HydrophobicContact CB-CE 4.26Å; W463-M529 HydrophobicContact CB-SD 4.29Å |
| 464 | K | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 125.3 | 172.3 | -172.9 | 172.6 | 173.1 | -163.8 | 0 | 110.3 | N370 E372 A451 V452 F466 L501 F502 L504 E510 | N370-K464 VanDerWaalsContact O-CE 3.24Å; N370-K464 WeakPolarHBondContact O-CE 3.2Å; N370-K464 PolarHBondContact O-NZ 2.83Å; E372-K464 IonicContact OE1-NZ 2.75Å; E372-K464 PolarHBondContact OE1-NZ 2.85Å; A451-K464 HydrophobicContact CB-CG 4.5Å; V452-K464 WeakPolarHBondContact O-CA 3.5Å; K464-F466 HydrophobicContact CD-CE2 4.02Å; K464-F466 HydrophobicContact CD-CZ 4.26Å; K464-F466 VanDerWaalsContact CE-CZ 3.41Å; K464-F466 HydrophobicContact CG-CE2 4.07Å; K464-L501 CarbonylContact O-C 3.59Å; K464-L501 WeakPolarHBondContact O-CA 3.2Å; K464-F502 PolarHBondContact N-O 2.78Å; K464-F502 PolarHBondContact O-N 2.99Å; K464-L504 HydrophobicContact CB-CD1 4.01Å; K464-L504 HydrophobicContact CB-CD2 4.4Å; K464-L504 HydrophobicContact CB-CG 4.06Å; K464-L504 HydrophobicContact CD-CD1 3.87Å; K464-L504 HydrophobicContact CD-CD2 4.35Å; K464-L504 HydrophobicContact CD-CG 4.46Å; K464-E510 WeakPolarHBondContact CE-OE1 3.28Å; K464-E510 IonicContact NZ-OE1 2.82Å; K464-E510 PolarHBondContact NZ-OE1 3.15Å |
| 465 | A | 98.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A451 V452 P499 L500 L501 L526 M529 | A451-A465 CarbonylContact C-O 3.58Å; A451-A465 WeakPolarHBondContact CA-O 3.4Å; A451-A465 VanDerWaalsContact CB-O 3.28Å; A451-A465 WeakPolarHBondContact CB-O 3.5Å; V452-A465 HydrophobicContact CG1-CB 4.26Å; V452-A465 PolarHBondContact N-O 3.21Å; V452-A465 PolarHBondContact O-N 2.86Å; A465-P499 HydrophobicContact CB-CB 4.13Å; A465-L500 CarbonylContact C-O 3.46Å; A465-L500 VanDerWaalsContact CA-O 3.3Å; A465-L500 WeakPolarHBondContact CA-O 3.41Å; A465-L501 HydrophobicContact CB-CD1 4.11Å; A465-L526 HydrophobicContact CB-CD2 3.82Å; A465-M529 HydrophobicContact CB-CE 3.57Å; A465-M529 HydrophobicContact CB-SD 3.85Å |
| 466 | F | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.8 | 174.3 | -72.6 | -96.3 | 0 | 0 | 0 | 110.9 | N370 W371 A451 K464 T469 P499 L500 F502 E510 | N370-F466 HydrophobicContact CB-CE1 4.28Å; N370-F466 WeakPolarHBondContact O-CZ 3.35Å; W371-F466 HydrophobicContact CD2-CE1 4.29Å; W371-F466 HydrophobicContact CD2-CE2 4.49Å; W371-F466 AromaticContact CD2-CZ 3.89Å; W371-F466 HydrophobicContact CD2-CZ 3.89Å; W371-F466 HydrophobicContact CE3-CE1 4.24Å; W371-F466 AromaticContact CE3-CE2 3.67Å; W371-F466 HydrophobicContact CE3-CE2 3.67Å; W371-F466 AromaticContact CE3-CZ 3.45Å; W371-F466 HydrophobicContact CE3-CZ 3.45Å; W371-F466 VanDerWaalsContact CE3-CZ 3.45Å; W371-F466 HydrophobicContact CG-CZ 4.47Å; W371-F466 HydrophobicContact CH2-CE2 4.3Å; W371-F466 HydrophobicContact CZ3-CD2 4.13Å; W371-F466 AromaticContact CZ3-CE2 3.55Å; W371-F466 HydrophobicContact CZ3-CE2 3.55Å; W371-F466 AromaticContact CZ3-CZ 3.8Å; W371-F466 HydrophobicContact CZ3-CZ 3.8Å; A451-F466 HydrophobicContact CB-CD1 3.71Å; A451-F466 HydrophobicContact CB-CD2 4.48Å; A451-F466 HydrophobicContact CB-CE1 3.93Å; A451-F466 HydrophobicContact CB-CG 4.02Å; A451-F466 HydrophobicContact CB-CZ 4.42Å; K464-F466 HydrophobicContact CD-CE2 4.02Å; K464-F466 HydrophobicContact CD-CZ 4.26Å; K464-F466 VanDerWaalsContact CE-CZ 3.41Å; K464-F466 HydrophobicContact CG-CE2 4.07Å; F466-T469 HydrophobicContact CB-CG2 4.06Å; F466-T469 HydrophobicContact CD1-CG2 4.11Å; F466-T469 HydrophobicContact CG-CG2 4.14Å; F466-P499 CarbonylContact O-C 3.21Å; F466-P499 WeakPolarHBondContact O-CA 3.03Å; F466-P499 WeakPolarHBondContact O-CB 3.01Å; F466-L500 HydrophobicContact CB-CB 4.24Å; F466-L500 PolarHBondContact N-O 3.42Å; F466-L500 PolarHBondContact O-N 2.81Å; F466-F502 AromaticContact CD2-CD2 3.97Å; F466-F502 HydrophobicContact CD2-CD2 3.97Å; F466-F502 AromaticContact CD2-CE2 3.8Å; F466-F502 HydrophobicContact CD2-CE2 3.8Å; F466-F502 HydrophobicContact CE2-CD2 4.06Å; F466-F502 HydrophobicContact CE2-CE2 4.03Å; F466-E510 WeakPolarHBondContact CE2-OE1 3.32Å |
| 467 | Y | 98.8 | Very high | 94.9 | Very high | 54 Ų | 54 | 53.2 Ų | 53.2 | 21% | 0.212 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -29 | 170.7 | -64.5 | -68.7 | 0 | 0 | 0 | 112.1 | L449 N450 V452 H496 P499 V533 | L449-Y467 HydrophobicContact CD2-CE2 4.33Å; L449-Y467 HydrophobicContact CG-CE2 4.44Å; N450-Y467 PolarHBondContact O-N 2.82Å; V452-Y467 HydrophobicContact CG1-CE2 4.2Å; Y467-H496 PolarHBondContact O-N 2.01Å; Y467-P499 HydrophobicContact CD1-CB 4.23Å; Y467-P499 HydrophobicContact CD1-CG 3.69Å; Y467-P499 HydrophobicContact CE1-CB 4.37Å; Y467-P499 HydrophobicContact CE1-CG 3.64Å; Y467-V533 HydrophobicContact CE2-CG2 4.25Å; Y467-V533 WeakPolarHBondContact OH-CG2 3.4Å |
| 468 | F | 98.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 161.1 | 172.2 | 61.4 | -89 | 0 | 0 | 0 | 110.4 | C445 L449 N450 C488 V493 T494 Y495 | C445-F468 HydrophobicContact CB-CE2 4.3Å; C445-F468 HydrophobicContact CB-CZ 4.09Å; L449-F468 WeakPolarHBondContact O-CE1 3.4Å; N450-F468 VanDerWaalsContact CA-CE1 3.49Å; N450-F468 HydrophobicContact CB-CE1 3.81Å; N450-F468 HydrophobicContact CB-CE2 4.05Å; N450-F468 HydrophobicContact CB-CZ 3.52Å; N450-F468 WeakPolarHBondContact ND2-CD2 3.28Å; N450-F468 WeakPolarHBondContact ND2-CE2 3.29Å; N450-F468 WeakPolarHBondContact ND2-CG 3.42Å; N450-F468 WeakPolarHBondContact ND2-CZ 3.45Å; N450-F468 PolarHBondContact ND2-O 3.27Å; F468-C488 HydrophobicContact CE2-CB 4.49Å; F468-V493 HydrophobicContact CB-CB 4.41Å; F468-V493 HydrophobicContact CB-CG2 4.42Å; F468-V493 HydrophobicContact CD2-CB 3.75Å; F468-V493 HydrophobicContact CD2-CG1 3.7Å; F468-V493 HydrophobicContact CD2-CG2 3.99Å; F468-V493 HydrophobicContact CE2-CB 4.49Å; F468-V493 HydrophobicContact CE2-CG1 4Å; F468-V493 HydrophobicContact CG-CB 4.45Å; F468-V493 HydrophobicContact CG-CG2 4.4Å; F468-T494 CarbonylContact C-O 3.5Å; F468-T494 WeakPolarHBondContact CA-O 3.23Å; F468-T494 VanDerWaalsContact CB-O 3.3Å; F468-T494 WeakPolarHBondContact CB-O 3.34Å; F468-Y495 HydrophobicContact CB-CD1 3.73Å; F468-Y495 HydrophobicContact CB-CE1 4.03Å; F468-Y495 HydrophobicContact CB-CG 4.1Å; F468-Y495 HydrophobicContact CD1-CD1 4.27Å; F468-Y495 AromaticContact CD1-CE1 3.9Å; F468-Y495 HydrophobicContact CD1-CE1 3.9Å; F468-Y495 HydrophobicContact CG-CD1 4.33Å; F468-Y495 HydrophobicContact CG-CE1 4.15Å |
| 469 | T | 98 | Very high | 95 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.9 | 175.8 | 52.7 | 0 | 0 | 0 | 0 | 110.1 | W371 F466 V493 T494 H496 L500 | W371-T469 HydrophobicContact CH2-CG2 3.94Å; W371-T469 HydrophobicContact CZ2-CG2 3.49Å; W371-T469 VanDerWaalsContact CZ2-CG2 3.49Å; F466-T469 HydrophobicContact CB-CG2 4.06Å; F466-T469 HydrophobicContact CD1-CG2 4.11Å; F466-T469 HydrophobicContact CG-CG2 4.14Å; T469-V493 CarbonylContact O-C 3.56Å; T469-V493 WeakPolarHBondContact O-CA 3.31Å; T469-T494 PolarHBondContact N-O 3.41Å; T469-T494 PolarHBondContact O-N 3.12Å; T469-H496 WeakPolarHBondContact CG2-NE2 3.46Å; T469-H496 PolarHBondContact OG1-NE2 3.18Å; T469-L500 HydrophobicContact CG2-CD2 4.27Å |
| 470 | P | 96.8 | Very high | 95 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 147.9 | 177 | 28.9 | -36 | 0 | 0 | 0 | 111.6 | T369 F472 C486 | T369-P470 HydrophobicContact CG2-CG 4.07Å; P470-F472 HydrophobicContact CG-CD1 4.28Å; P470-F472 HydrophobicContact CG-CE1 3.71Å; P470-F472 HydrophobicContact CG-CZ 4.15Å; P470-F472 PolarHBondContact O-N 2.9Å; P470-C486 HydrophobicContact CB-CB 3.79Å; P470-C486 HydrophobicContact CG-CB 4.37Å |
| 471 | D | 95.4 | Very high | 94.8 | Very high | 59 Ų | 59 | 42 Ų | 42 | 32% | 0.316 | 22% | 0.22 | S | C | . | . | trans | -81.1 | 100.4 | 173.8 | -61.7 | -27.6 | 0 | 0 | 0 | 109.5 | H492 V493 T494 | D471-H492 PolarHBondContact N-O 2.99Å; D471-V493 PolarHBondContact OD2-N 2.89Å; D471-V493 VanDerWaalsContact OD2-N 3.15Å; D471-T494 PolarHBondContact OD1-N 2.86Å; D471-T494 PolarHBondContact OD1-OG1 3.37Å | ||
| 472 | F | 95.8 | Very high | 94.3 | Very high | 44 Ų | 44 | 45 Ų | 45 | 19% | 0.193 | 23% | 0.233 | C | C | . | . | trans | -68.3 | 144 | -179 | -65.8 | -43.1 | 0 | 0 | 0 | 112.6 | A365 T369 W371 P470 K477 T478 T479 | A365-F472 HydrophobicContact CB-CE1 4.23Å; A365-F472 HydrophobicContact CB-CZ 3.95Å; T369-F472 HydrophobicContact CG2-CE1 4.48Å; W371-F472 AromaticContact CD1-CZ 3.57Å; W371-F472 AromaticContact NE1-CE2 3.82Å; W371-F472 AromaticContact NE1-CZ 3.26Å; W371-F472 VanDerWaalsContact NE1-CZ 3.26Å; P470-F472 HydrophobicContact CG-CD1 4.28Å; P470-F472 HydrophobicContact CG-CE1 3.71Å; P470-F472 HydrophobicContact CG-CZ 4.15Å; P470-F472 PolarHBondContact O-N 2.9Å; F472-K477 VanDerWaalsContact CB-O 3.27Å; F472-K477 WeakPolarHBondContact CB-O 3.27Å; F472-K477 WeakPolarHBondContact CD2-O 3.07Å; F472-K477 WeakPolarHBondContact CG-O 3.48Å; F472-T478 VanDerWaalsContact CE1-C 3.48Å; F472-T478 WeakPolarHBondContact CE1-O 3.42Å; F472-T478 HydrophobicContact CE2-CG2 4.2Å; F472-T479 WeakPolarHBondContact CA-O 3.08Å | ||
| 473 | Y | 91.1 | Very high | 93.8 | Very high | 142 Ų | 142 | 46.1 Ų | 46.1 | 56% | 0.557 | 24% | 0.24 | S | C | * | . | B | Isolated β-bridge | trans | -143.3 | 127.5 | 171.9 | -172.5 | -90.2 | 0 | 0 | 0 | 111.6 | T479 F481 H482 | Y473-T479 CarbonylContact C-O 3.52Å; Y473-T479 PolarHBondContact N-O 3.33Å; Y473-F481 PolarHBondContact O-N 2.97Å; Y473-H482 VanDerWaalsContact CB-ND1 3.3Å; Y473-H482 WeakPolarHBondContact CB-ND1 3.44Å; Y473-H482 HydrophobicContact CD1-CB 3.66Å; Y473-H482 HydrophobicContact CE1-CB 4.3Å; Y473-H482 HydrophobicContact CG-CB 4.02Å |
| 474 | P | 91 | Very high | 93.3 | Very high | 45 Ų | 45 | 47.1 Ų | 47.1 | 29% | 0.292 | 25% | 0.245 | S | C | . | . | S | Bend | cis | -69.3 | 155.8 | -2.9 | 30.5 | -33.5 | 0 | 0 | 0 | 111.7 | D476 K477 | P474-D476 WeakPolarHBondContact CB-OD1 3.3Å; P474-D476 WeakPolarHBondContact CG-OD1 3.11Å; P474-D476 PolarHBondContact O-N 3.23Å; P474-D476 VanDerWaalsContact O-N 3.11Å; P474-K477 HydrophobicContact CG-CB 4.27Å; P474-K477 HydrophobicContact CG-CG 3.66Å; P474-K477 WeakPolarHBondContact O-CB 3.28Å; P474-K477 PolarHBondContact O-N 3.05Å |
| 475 | A | 88.1 | Confident | 93 | Very high | 95 Ų | 95 | 48.7 Ų | 48.7 | 79% | 0.785 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -17.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K477 | A475-K477 VanDerWaalsContact C-N 3.28Š|
| 476 | D | 87.7 | Confident | 92.7 | Very high | 122 Ų | 122 | 48.9 Ų | 48.9 | 65% | 0.652 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 1 | 174.8 | 68.4 | -50.8 | 0 | 0 | 0 | 113.3 | P474 | P474-D476 WeakPolarHBondContact CB-OD1 3.3Å; P474-D476 WeakPolarHBondContact CG-OD1 3.11Å; P474-D476 PolarHBondContact O-N 3.23Å; P474-D476 VanDerWaalsContact O-N 3.11Å |
| 477 | K | 90.1 | Very high | 92.5 | Very high | 110 Ų | 110 | 50 Ų | 50 | 48% | 0.478 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -118 | 166.6 | 179.5 | -57.7 | -65.3 | 178.5 | -173.5 | 0 | 110.9 | F472 P474 A475 T479 | F472-K477 VanDerWaalsContact CB-O 3.27Å; F472-K477 WeakPolarHBondContact CB-O 3.27Å; F472-K477 WeakPolarHBondContact CD2-O 3.07Å; F472-K477 WeakPolarHBondContact CG-O 3.48Å; P474-K477 HydrophobicContact CG-CB 4.27Å; P474-K477 HydrophobicContact CG-CG 3.66Å; P474-K477 WeakPolarHBondContact O-CB 3.28Å; P474-K477 PolarHBondContact O-N 3.05Å; A475-K477 VanDerWaalsContact C-N 3.28Å; K477-T479 WeakPolarHBondContact CB-OG1 3.33Å |
| 478 | T | 91.9 | Very high | 92.2 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -104.7 | 38.5 | 178.8 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | K364 A365 F472 | K364-T478 HydrophobicContact CG-CG2 3.9Å; A365-T478 WeakPolarHBondContact CA-O 3.36Å; A365-T478 WeakPolarHBondContact CB-O 3.04Å; F472-T478 VanDerWaalsContact CE1-C 3.48Å; F472-T478 WeakPolarHBondContact CE1-O 3.42Å; F472-T478 HydrophobicContact CE2-CG2 4.2Å |
| 479 | T | 93.2 | Very high | 91.9 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -139.3 | 158.7 | -168.5 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | L346 E347 F472 Y473 K477 F481 | L346-T479 HydrophobicContact CB-CG2 3.69Å; L346-T479 HydrophobicContact CD1-CG2 4.09Å; E347-T479 WeakPolarHBondContact OE1-CA 3.34Å; F472-T479 WeakPolarHBondContact CA-O 3.08Å; Y473-T479 CarbonylContact C-O 3.52Å; Y473-T479 PolarHBondContact N-O 3.33Å; K477-T479 WeakPolarHBondContact CB-OG1 3.33Å; T479-F481 HydrophobicContact CG2-CE2 3.92Å; T479-F481 HydrophobicContact CG2-CZ 4.38Å; T479-F481 WeakPolarHBondContact OG1-CD2 3.48Å; T479-F481 WeakPolarHBondContact OG1-CE2 3.41Å |
| 480 | C | 93.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -113.5 | 58.9 | 175.7 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | E347 H482 T483 H484 C486 | E347-C480 PolarHBondContact OE1-N 3.01Å; C480-H482 PolarHBondContact O-N 3.4Å; C480-H482 VanDerWaalsContact O-N 3.15Å; C480-T483 PolarHBondContact O-N 3.06Å; C480-T483 PolarHBondContact O-OG1 2.9Å; C480-H484 PolarHBondContact O-N 2.63Å; C480-C486 HydrophobicContact CB-CB 3.94Å; C480-C486 WeakPolarHBondContact CB-SG 3.44Å; C480-C486 WeakPolarHBondContact SG-CA 3.13Å; C480-C486 WeakPolarHBondContact SG-CB 3.22Å; C480-C486 CovalentContact SG-SG 2.04Å; C480-C486 PolarHBondContact SG-SG 2.89Å |
| 481 | F | 89.6 | Confident | 91.4 | Very high | 64 Ų | 64 | 56.3 Ų | 56.3 | 28% | 0.281 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.4 | -175.9 | -77.9 | -71.5 | 0 | 0 | 0 | 114.2 | E347 L349 Y473 T479 T483 H484 | E347-F481 VanDerWaalsContact CA-CE1 3.48Å; E347-F481 HydrophobicContact CB-CD1 4.16Å; E347-F481 HydrophobicContact CB-CE1 4.29Å; E347-F481 HydrophobicContact CG-CD1 4.47Å; L349-F481 HydrophobicContact CD1-CD1 3.88Å; L349-F481 HydrophobicContact CD1-CE1 3.97Å; L349-F481 HydrophobicContact CD2-CD1 4.45Å; L349-F481 HydrophobicContact CD2-CE1 3.69Å; L349-F481 HydrophobicContact CD2-CZ 4.45Å; L349-F481 HydrophobicContact CG-CD1 4.16Å; L349-F481 HydrophobicContact CG-CE1 3.82Å; Y473-F481 PolarHBondContact O-N 2.97Å; T479-F481 HydrophobicContact CG2-CE2 3.92Å; T479-F481 HydrophobicContact CG2-CZ 4.38Å; T479-F481 WeakPolarHBondContact OG1-CD2 3.48Å; T479-F481 WeakPolarHBondContact OG1-CE2 3.41Å; F481-T483 VanDerWaalsContact C-N 3.3Å; F481-T483 PolarHBondContact O-N 3.07Å; F481-H484 PolarHBondContact O-N 2.84Å |
| 482 | H | 88.2 | Confident | 91.4 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 35% | 0.352 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -39.8 | 178.8 | 66.1 | -58.2 | 0 | 0 | 0 | 113.2 | K185 Y473 C480 | K185-H482 PolarHBondContact NZ-O 2.6Å; Y473-H482 VanDerWaalsContact CB-ND1 3.3Å; Y473-H482 WeakPolarHBondContact CB-ND1 3.44Å; Y473-H482 HydrophobicContact CD1-CB 3.66Å; Y473-H482 HydrophobicContact CE1-CB 4.3Å; Y473-H482 HydrophobicContact CG-CB 4.02Å; C480-H482 PolarHBondContact O-N 3.4Å; C480-H482 VanDerWaalsContact O-N 3.15Å |
| 483 | T | 87.8 | Confident | 91.4 | Very high | 32 Ų | 32 | 53.2 Ų | 53.2 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -1.8 | -179.1 | 45.6 | 0 | 0 | 0 | 0 | 113.5 | C480 F481 V485 F487 | C480-T483 PolarHBondContact O-N 3.06Å; C480-T483 PolarHBondContact O-OG1 2.9Å; F481-T483 VanDerWaalsContact C-N 3.3Å; F481-T483 PolarHBondContact O-N 3.07Å; T483-V485 VanDerWaalsContact CB-O 3.31Å; T483-V485 WeakPolarHBondContact CB-O 3.35Å; T483-V485 PolarHBondContact O-N 2.86Å; T483-V485 PolarHBondContact OG1-O 3.13Å; T483-F487 HydrophobicContact CG2-CD2 4.01Å; T483-F487 HydrophobicContact CG2-CE2 3.66Å |
| 484 | H | 88.1 | Confident | 91.7 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 19% | 0.19 | 28% | 0.28 | C | S | . | . | S | Bend | trans | 66.7 | -20.3 | -175.4 | -176.7 | -115.3 | 0 | 0 | 0 | 115 | H345 E347 E348 C480 F481 | H345-H484 AromaticContact CE1-CE1 3.46Å; H345-H484 PolarHBondContact CE1-CE1 2.73Å; H345-H484 VanDerWaalsContact CE1-CE1 3.46Å; H345-H484 AromaticContact CE1-NE2 3.61Å; H345-H484 AromaticContact NE2-NE2 3.97Å; H345-H484 PolarHBondContact NE2-O 3.08Å; E347-H484 WeakPolarHBondContact CB-O 3.37Å; E348-H484 IonicContact OE2-CE1 3.45Å; E348-H484 PolarHBondContact OE2-CE1 2.84Å; E348-H484 IonicContact OE2-NE2 2.79Å; E348-H484 PolarHBondContact OE2-NE2 3.48Å; C480-H484 PolarHBondContact O-N 2.63Å; F481-H484 PolarHBondContact O-N 2.84Å |
| 485 | V | 91.1 | Very high | 92.1 | Very high | 32 Ų | 32 | 53.6 Ų | 53.6 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -144.1 | 155.8 | 167.9 | -67.9 | 0 | 0 | 0 | 0 | 109.1 | T483 F487 | T483-V485 VanDerWaalsContact CB-O 3.31Å; T483-V485 WeakPolarHBondContact CB-O 3.35Å; T483-V485 PolarHBondContact O-N 2.86Å; T483-V485 PolarHBondContact OG1-O 3.13Å; V485-F487 HydrophobicContact CG2-CD1 4.28Å; V485-F487 HydrophobicContact CG2-CE1 3.67Å; V485-F487 HydrophobicContact CG2-CZ 4.11Å |
| 486 | C | 93.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | trans | -77.8 | 135.4 | 172.9 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | S368 T369 P470 C480 | S368-C486 WeakPolarHBondContact CB-O 3.37Å; S368-C486 PolarHBondContact OG-N 2.91Å; T369-C486 HydrophobicContact CG2-CB 3.78Å; T369-C486 VanDerWaalsContact CG2-SG 3.54Å; P470-C486 HydrophobicContact CB-CB 3.79Å; P470-C486 HydrophobicContact CG-CB 4.37Å; C480-C486 HydrophobicContact CB-CB 3.94Å; C480-C486 WeakPolarHBondContact CB-SG 3.44Å; C480-C486 WeakPolarHBondContact SG-CA 3.13Å; C480-C486 WeakPolarHBondContact SG-CB 3.22Å; C480-C486 CovalentContact SG-SG 2.04Å; C480-C486 PolarHBondContact SG-SG 2.89Å | ||
| 487 | F | 94.1 | Very high | 93 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | trans | -100.9 | 156.2 | 177.1 | -64.4 | -50.1 | 0 | 0 | 0 | 111.7 | R101 T483 V485 H492 V493 | R101-F487 HydrophobicContact CB-CD1 4.02Å; R101-F487 HydrophobicContact CB-CE1 3.82Å; R101-F487 HydrophobicContact CB-CZ 4.13Å; R101-F487 HydrophobicContact CG-CD1 4.35Å; R101-F487 HydrophobicContact CG-CD2 4.4Å; R101-F487 HydrophobicContact CG-CE1 4.44Å; R101-F487 HydrophobicContact CG-CE2 4.47Å; R101-F487 HydrophobicContact CG-CG 4.35Å; T483-F487 HydrophobicContact CG2-CD2 4.01Å; T483-F487 HydrophobicContact CG2-CE2 3.66Å; V485-F487 HydrophobicContact CG2-CD1 4.28Å; V485-F487 HydrophobicContact CG2-CE1 3.67Å; V485-F487 HydrophobicContact CG2-CZ 4.11Å; F487-H492 HydrophobicContact CB-CB 4.06Å; F487-H492 AromaticContact CD2-CD2 3.86Å; F487-H492 AromaticContact CD2-NE2 3.89Å; F487-V493 VanDerWaalsContact O-CG1 3.28Å; F487-V493 WeakPolarHBondContact O-CG1 3.33Å | ||
| 488 | C | 92.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.034 | 27% | 0.269 | C | S | . | . | trans | -95 | -3.5 | 178.4 | -42.2 | 0 | 0 | 0 | 0 | 113.4 | C445 Y448 F468 | C445-C488 VanDerWaalsContact CA-SG 3.52Å; C445-C488 HydrophobicContact CB-CB 3.64Å; C445-C488 WeakPolarHBondContact CB-SG 3.4Å; C445-C488 PolarHBondContact O-SG 3.06Å; C445-C488 VanDerWaalsContact O-SG 3.41Å; C445-C488 WeakPolarHBondContact SG-CB 3.4Å; C445-C488 CovalentContact SG-SG 2.01Å; C445-C488 PolarHBondContact SG-SG 3.2Å; Y448-C488 HydrophobicContact CD2-CB 3.61Å; Y448-C488 HydrophobicContact CE2-CB 4.18Å; Y448-C488 HydrophobicContact CG-CB 4.4Å; F468-C488 HydrophobicContact CE2-CB 4.49Å | ||
| 489 | T | 92.3 | Very high | 93.7 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -77.7 | 150.7 | -173.1 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | R101 D491 H492 | R101-T489 HydrophobicContact CG-CG2 4.31Å; T489-D491 PolarHBondContact O-N 2.04Å; T489-H492 PolarHBondContact O-N 2.8Å; T489-H492 PolarHBondContact OG1-ND1 2.83Å |
| 490 | P | 91.4 | Very high | 93.9 | Very high | 73 Ų | 73 | 50.8 Ų | 50.8 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -49.6 | -33.1 | -176.4 | -30.6 | 35.9 | 0 | 0 | 0 | 116 | H492 Y495 | P490-H492 PolarHBondContact O-N 2.79Å; P490-Y495 HydrophobicContact CB-CE2 4.46Å |
| 491 | D | 92.8 | Very high | 94.2 | Very high | 129 Ų | 129 | 50.7 Ų | 50.7 | 69% | 0.69 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -73.7 | -4.7 | -178.9 | -55.4 | -33.9 | 0 | 0 | 0 | 114.8 | T489 | T489-D491 PolarHBondContact O-N 2.04Š|
| 492 | H | 94.4 | Very high | 94.6 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 13% | 0.134 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -133.3 | 14.7 | -174.2 | -58.1 | 79 | 0 | 0 | 0 | 112.5 | D471 F487 T489 P490 | D471-H492 PolarHBondContact N-O 2.99Å; F487-H492 HydrophobicContact CB-CB 4.06Å; F487-H492 AromaticContact CD2-CD2 3.86Å; F487-H492 AromaticContact CD2-NE2 3.89Å; T489-H492 PolarHBondContact O-N 2.8Å; T489-H492 PolarHBondContact OG1-ND1 2.83Å; P490-H492 PolarHBondContact O-N 2.79Å |
| 493 | V | 97 | Very high | 95.1 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 147.7 | -177.1 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | F468 T469 D471 F487 Y495 | F468-V493 HydrophobicContact CB-CB 4.41Å; F468-V493 HydrophobicContact CB-CG2 4.42Å; F468-V493 HydrophobicContact CD2-CB 3.75Å; F468-V493 HydrophobicContact CD2-CG1 3.7Å; F468-V493 HydrophobicContact CD2-CG2 3.99Å; F468-V493 HydrophobicContact CE2-CB 4.49Å; F468-V493 HydrophobicContact CE2-CG1 4Å; F468-V493 HydrophobicContact CG-CB 4.45Å; F468-V493 HydrophobicContact CG-CG2 4.4Å; T469-V493 CarbonylContact O-C 3.56Å; T469-V493 WeakPolarHBondContact O-CA 3.31Å; D471-V493 PolarHBondContact OD2-N 2.89Å; D471-V493 VanDerWaalsContact OD2-N 3.15Å; F487-V493 VanDerWaalsContact O-CG1 3.28Å; F487-V493 WeakPolarHBondContact O-CG1 3.33Å; V493-Y495 HydrophobicContact CG2-CD2 4.21Å; V493-Y495 HydrophobicContact CG2-CE2 3.64Å |
| 494 | T | 97.7 | Very high | 95.6 | Very high | 67 Ų | 67 | 43.3 Ų | 43.3 | 41% | 0.411 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123 | 169.7 | -64.3 | 0 | 0 | 0 | 0 | 109.5 | F468 T469 D471 H496 | F468-T494 CarbonylContact C-O 3.5Å; F468-T494 WeakPolarHBondContact CA-O 3.23Å; F468-T494 VanDerWaalsContact CB-O 3.3Å; F468-T494 WeakPolarHBondContact CB-O 3.34Å; T469-T494 PolarHBondContact N-O 3.41Å; T469-T494 PolarHBondContact O-N 3.12Å; D471-T494 PolarHBondContact OD1-N 2.86Å; D471-T494 PolarHBondContact OD1-OG1 3.37Å; T494-H496 PolarHBondContact O-NE2 2.97Å |
| 495 | Y | 98.4 | Very high | 96 | Very high | 127 Ų | 127 | 44.1 Ų | 44.1 | 50% | 0.498 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 147.8 | 175.3 | -70.1 | -89.9 | 0 | 0 | 0 | 111.8 | F468 P490 V493 | F468-Y495 HydrophobicContact CB-CD1 3.73Å; F468-Y495 HydrophobicContact CB-CE1 4.03Å; F468-Y495 HydrophobicContact CB-CG 4.1Å; F468-Y495 HydrophobicContact CD1-CD1 4.27Å; F468-Y495 AromaticContact CD1-CE1 3.9Å; F468-Y495 HydrophobicContact CD1-CE1 3.9Å; F468-Y495 HydrophobicContact CG-CD1 4.33Å; F468-Y495 HydrophobicContact CG-CE1 4.15Å; P490-Y495 HydrophobicContact CB-CE2 4.46Å; V493-Y495 HydrophobicContact CG2-CD2 4.21Å; V493-Y495 HydrophobicContact CG2-CE2 3.64Å |
| 496 | H | 98.3 | Very high | 96.3 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 22% | 0.218 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 126.6 | -176.6 | -56.8 | -65.7 | 0 | 0 | 0 | 111.3 | Y467 T469 T494 P498 L500 | Y467-H496 PolarHBondContact O-N 2.01Å; T469-H496 WeakPolarHBondContact CG2-NE2 3.46Å; T469-H496 PolarHBondContact OG1-NE2 3.18Å; T494-H496 PolarHBondContact O-NE2 2.97Å; H496-P498 CarbonylContact C-O 3.42Å; H496-L500 HydrophobicContact CB-CB 4.41Å |
| 497 | D | 96.9 | Very high | 96.5 | Very high | 162 Ų | 162 | 50.4 Ų | 50.4 | 87% | 0.866 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 110.1 | 171.4 | -171.7 | 16.7 | 0 | 0 | 0 | 109.9 | ||
| 498 | P | 97.6 | Very high | 96.6 | Very high | 62 Ų | 62 | 51 Ų | 51 | 40% | 0.403 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -65 | 160.1 | -1.6 | 28.9 | -35.5 | 0 | 0 | 0 | 113 | H496 F522 L526 | H496-P498 CarbonylContact C-O 3.42Å; P498-F522 HydrophobicContact CB-CE1 4.1Å; P498-F522 HydrophobicContact CB-CZ 4.37Å; P498-F522 HydrophobicContact CG-CE1 3.85Å; P498-F522 HydrophobicContact CG-CZ 4.09Å; P498-L526 HydrophobicContact CB-CD1 3.87Å |
| 499 | P | 98.5 | Very high | 96.9 | Very high | 21 Ų | 21 | 52.6 Ų | 52.6 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 145.8 | 176.5 | -27.5 | 35.3 | 0 | 0 | 0 | 113.5 | A465 F466 Y467 L501 L526 | A465-P499 HydrophobicContact CB-CB 4.13Å; F466-P499 CarbonylContact O-C 3.21Å; F466-P499 WeakPolarHBondContact O-CA 3.03Å; F466-P499 WeakPolarHBondContact O-CB 3.01Å; Y467-P499 HydrophobicContact CD1-CB 4.23Å; Y467-P499 HydrophobicContact CD1-CG 3.69Å; Y467-P499 HydrophobicContact CE1-CB 4.37Å; Y467-P499 HydrophobicContact CE1-CG 3.64Å; P499-L501 PolarHBondContact O-N 3.21Å; P499-L526 HydrophobicContact CB-CD2 4.03Å; P499-L526 HydrophobicContact CG-CD2 4.37Å |
| 500 | L | 98.5 | Very high | 97.1 | Very high | 42 Ų | 42 | 51.9 Ų | 51.9 | 22% | 0.22 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 114.8 | -180 | -170.5 | 71.3 | 0 | 0 | 0 | 110.2 | W371 A465 F466 T469 H496 F502 P513 | W371-L500 HydrophobicContact CH2-CD2 4.12Å; A465-L500 CarbonylContact C-O 3.46Å; A465-L500 VanDerWaalsContact CA-O 3.3Å; A465-L500 WeakPolarHBondContact CA-O 3.41Å; F466-L500 HydrophobicContact CB-CB 4.24Å; F466-L500 PolarHBondContact N-O 3.42Å; F466-L500 PolarHBondContact O-N 2.81Å; T469-L500 HydrophobicContact CG2-CD2 4.27Å; H496-L500 HydrophobicContact CB-CB 4.41Å; L500-F502 HydrophobicContact CB-CE2 4.41Å; L500-F502 HydrophobicContact CD2-CE2 3.58Å; L500-F502 HydrophobicContact CD2-CZ 3.59Å; L500-F502 HydrophobicContact CG-CE2 3.6Å; L500-F502 HydrophobicContact CG-CZ 3.81Å; L500-P513 HydrophobicContact CD1-CB 3.34Å; L500-P513 HydrophobicContact CD1-CG 3.98Å; L500-P513 HydrophobicContact CG-CB 3.91Å |
| 501 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 140.2 | -171.5 | -174.3 | 65.6 | 0 | 0 | 0 | 112.6 | W463 K464 A465 P499 P513 L514 F522 I525 L526 M529 | W463-L501 HydrophobicContact CB-CD1 4.27Å; K464-L501 CarbonylContact O-C 3.59Å; K464-L501 WeakPolarHBondContact O-CA 3.2Å; A465-L501 HydrophobicContact CB-CD1 4.11Å; P499-L501 PolarHBondContact O-N 3.21Å; L501-P513 CarbonylContact O-C 3.52Å; L501-P513 WeakPolarHBondContact O-CA 3.39Å; L501-L514 HydrophobicContact CB-CB 4.45Å; L501-L514 HydrophobicContact CG-CD1 4.5Å; L501-L514 PolarHBondContact O-N 3.13Å; L501-F522 HydrophobicContact CB-CD2 4.3Å; L501-F522 HydrophobicContact CB-CE2 3.75Å; L501-F522 HydrophobicContact CD2-CD2 3.67Å; L501-F522 HydrophobicContact CD2-CE2 3.98Å; L501-F522 HydrophobicContact CD2-CG 4.49Å; L501-I525 HydrophobicContact CD1-CG2 3.92Å; L501-I525 HydrophobicContact CD2-CB 4.35Å; L501-I525 HydrophobicContact CD2-CD1 4.31Å; L501-I525 HydrophobicContact CD2-CG2 3.99Å; L501-L526 HydrophobicContact CB-CD2 4.45Å; L501-L526 HydrophobicContact CD1-CD2 4.2Å; L501-M529 HydrophobicContact CD1-SD 4.06Å |
| 502 | F | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150.2 | 173.8 | -60.2 | -90.8 | 0 | 0 | 0 | 111.1 | W371 W463 K464 F466 L500 L504 E510 P513 | W371-F502 AromaticContact CH2-CE2 3.91Å; W371-F502 HydrophobicContact CH2-CE2 3.91Å; W371-F502 AromaticContact CH2-CZ 3.77Å; W371-F502 HydrophobicContact CH2-CZ 3.77Å; W371-F502 HydrophobicContact CZ3-CD2 4.43Å; W371-F502 HydrophobicContact CZ3-CE1 4.45Å; W371-F502 AromaticContact CZ3-CE2 3.61Å; W371-F502 HydrophobicContact CZ3-CE2 3.61Å; W371-F502 AromaticContact CZ3-CZ 3.63Å; W371-F502 HydrophobicContact CZ3-CZ 3.63Å; W463-F502 CarbonylContact C-O 3.58Å; W463-F502 WeakPolarHBondContact CA-O 3.26Å; K464-F502 PolarHBondContact N-O 2.78Å; K464-F502 PolarHBondContact O-N 2.99Å; F466-F502 AromaticContact CD2-CD2 3.97Å; F466-F502 HydrophobicContact CD2-CD2 3.97Å; F466-F502 AromaticContact CD2-CE2 3.8Å; F466-F502 HydrophobicContact CD2-CE2 3.8Å; F466-F502 HydrophobicContact CE2-CD2 4.06Å; F466-F502 HydrophobicContact CE2-CE2 4.03Å; L500-F502 HydrophobicContact CB-CE2 4.41Å; L500-F502 HydrophobicContact CD2-CE2 3.58Å; L500-F502 HydrophobicContact CD2-CZ 3.59Å; L500-F502 HydrophobicContact CG-CE2 3.6Å; L500-F502 HydrophobicContact CG-CZ 3.81Å; F502-L504 HydrophobicContact CB-CD2 4.47Å; F502-E510 HydrophobicContact CD1-CB 4.09Å; F502-E510 HydrophobicContact CE1-CB 4.14Å; F502-E510 WeakPolarHBondContact CE1-O 3.44Å; F502-E510 HydrophobicContact CG-CB 4.42Å; F502-E510 HydrophobicContact CG-CG 4.47Å; F502-P513 HydrophobicContact CD1-CB 4.48Å; F502-P513 HydrophobicContact CE1-CB 3.84Å; F502-P513 HydrophobicContact CZ-CB 3.9Å |
| 503 | D | 98.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 96.7 | 165.8 | -170.7 | -10.6 | 0 | 0 | 0 | 109 | S461 V462 W463 S505 K506 D507 L514 | S461-D503 PolarHBondContact OG-OD2 3.28Å; V462-D503 CarbonylContact O-C 3.58Å; W463-D503 HydrophobicContact CE3-CB 3.78Å; W463-D503 HydrophobicContact CH2-CB 4.17Å; W463-D503 HydrophobicContact CZ3-CB 3.47Å; W463-D503 VanDerWaalsContact CZ3-CB 3.47Å; D503-S505 VanDerWaalsContact CG-OG 3.3Å; D503-S505 PolarHBondContact O-N 2.93Å; D503-S505 WeakPolarHBondContact OD1-CB 3.47Å; D503-S505 PolarHBondContact OD1-N 3.32Å; D503-S505 PolarHBondContact OD1-OG 3.47Å; D503-S505 PolarHBondContact OD2-OG 2.88Å; D503-K506 HydrophobicContact CB-CB 4.49Å; D503-K506 PolarHBondContact O-N 3.46Å; D503-K506 WeakPolarHBondContact OD2-CD 3.34Å; D503-K506 VanDerWaalsContact OD2-CE 3.28Å; D503-K506 WeakPolarHBondContact OD2-CE 2.96Å; D503-K506 IonicContact OD2-NZ 2.97Å; D503-K506 PolarHBondContact OD2-NZ 2.91Å; D503-D507 PolarHBondContact O-N 2.8Å; D503-L514 HydrophobicContact CB-CD1 4.05Å |
| 504 | L | 98.3 | Very high | 97.8 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -20.3 | -177.6 | -60.2 | -177.9 | 0 | 0 | 0 | 113 | E372 V462 K464 F502 K506 E510 | E372-L504 HydrophobicContact CG-CD1 4.34Å; E372-L504 HydrophobicContact CG-CD2 3.99Å; V462-L504 HydrophobicContact CB-CB 4.29Å; V462-L504 HydrophobicContact CG1-CB 4.5Å; V462-L504 HydrophobicContact CG1-CD1 4.26Å; V462-L504 WeakPolarHBondContact O-CB 3.39Å; V462-L504 PolarHBondContact O-N 2.98Å; K464-L504 HydrophobicContact CB-CD1 4.01Å; K464-L504 HydrophobicContact CB-CD2 4.4Å; K464-L504 HydrophobicContact CB-CG 4.06Å; K464-L504 HydrophobicContact CD-CD1 3.87Å; K464-L504 HydrophobicContact CD-CD2 4.35Å; K464-L504 HydrophobicContact CD-CG 4.46Å; F502-L504 HydrophobicContact CB-CD2 4.47Å; L504-K506 PolarHBondContact O-N 3.44Å; L504-E510 HydrophobicContact CD2-CG 3.53Å |
| 505 | S | 96.9 | Very high | 97.8 | Very high | 58 Ų | 58 | 56.9 Ų | 56.9 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -24.3 | 175.6 | 73.9 | 0 | 0 | 0 | 0 | 112.4 | D503 | D503-S505 VanDerWaalsContact CG-OG 3.3Å; D503-S505 PolarHBondContact O-N 2.93Å; D503-S505 WeakPolarHBondContact OD1-CB 3.47Å; D503-S505 PolarHBondContact OD1-N 3.32Å; D503-S505 PolarHBondContact OD1-OG 3.47Å; D503-S505 PolarHBondContact OD2-OG 2.88Å |
| 506 | K | 96.9 | Very high | 97.7 | Very high | 146 Ų | 146 | 52.9 Ų | 52.9 | 64% | 0.635 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -34.1 | 179.9 | -64 | 176.6 | -169.2 | 134.1 | 0 | 112.9 | D503 L504 | D503-K506 HydrophobicContact CB-CB 4.49Å; D503-K506 PolarHBondContact O-N 3.46Å; D503-K506 WeakPolarHBondContact OD2-CD 3.34Å; D503-K506 VanDerWaalsContact OD2-CE 3.28Å; D503-K506 WeakPolarHBondContact OD2-CE 2.96Å; D503-K506 IonicContact OD2-NZ 2.97Å; D503-K506 PolarHBondContact OD2-NZ 2.91Å; L504-K506 PolarHBondContact O-N 3.44Å |
| 507 | D | 97.9 | Very high | 97.6 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | trans | -129.6 | 74.4 | 179.9 | -178.2 | 23.3 | 0 | 0 | 0 | 110.9 | D503 S509 E510 S511 R512 | D503-D507 PolarHBondContact O-N 2.8Å; D507-S509 PolarHBondContact O-N 3.47Å; D507-S509 VanDerWaalsContact O-N 3.13Å; D507-S509 PolarHBondContact OD1-N 3.25Å; D507-S509 PolarHBondContact OD1-OG 2.98Å; D507-E510 PolarHBondContact O-N 2.9Å; D507-E510 VanDerWaalsContact O-N 3.14Å; D507-E510 PolarHBondContact OD1-N 3.07Å; D507-S511 PolarHBondContact OD1-OG 2.9Å; D507-S511 VanDerWaalsContact OD1-OG 3.12Å; D507-S511 PolarHBondContact OD2-N 3.03Å; D507-S511 PolarHBondContact OD2-OG 3.34Å; D507-R512 PolarHBondContact OD2-N 2.98Å | ||
| 508 | P | 97.2 | Very high | 97.6 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.2 | 174.4 | 25.6 | -35.2 | 0 | 0 | 0 | 113 | I362 Y363 E510 | I362-P508 HydrophobicContact CD1-CB 4.05Å; I362-P508 HydrophobicContact CD1-CG 3.64Å; Y363-P508 HydrophobicContact CD1-CB 4.39Å; Y363-P508 WeakPolarHBondContact CD1-O 3.48Å; Y363-P508 HydrophobicContact CE1-CB 3.93Å; P508-E510 VanDerWaalsContact C-N 3.32Å |
| 509 | S | 97.3 | Very high | 97.6 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -5.2 | 178 | 73.7 | 0 | 0 | 0 | 0 | 114 | I362 K364 D507 S511 | I362-S509 WeakPolarHBondContact O-CA 3.34Å; I362-S509 VanDerWaalsContact O-CB 3.28Å; I362-S509 WeakPolarHBondContact O-CB 3.48Å; K364-S509 WeakPolarHBondContact CB-O 3.03Å; D507-S509 PolarHBondContact O-N 3.47Å; D507-S509 VanDerWaalsContact O-N 3.13Å; D507-S509 PolarHBondContact OD1-N 3.25Å; D507-S509 PolarHBondContact OD1-OG 2.98Å; S509-S511 PolarHBondContact O-N 3.18Å; S509-S511 VanDerWaalsContact O-N 3.13Å; S509-S511 WeakPolarHBondContact OG-CB 3.36Å; S509-S511 PolarHBondContact OG-OG 2.96Å; S509-S511 VanDerWaalsContact OG-OG 3.07Å |
| 510 | E | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | 49 | 42.1 | 179.8 | -60.3 | 167.7 | 117 | 0 | 0 | 112.5 | K364 W371 E372 K464 F466 F502 L504 D507 P508 | K364-E510 HydrophobicContact CB-CB 4.42Å; K364-E510 HydrophobicContact CD-CB 4.11Å; K364-E510 WeakPolarHBondContact CD-O 3.3Å; K364-E510 PolarHBondContact NZ-O 3.33Å; W371-E510 HydrophobicContact CE3-CB 3.74Å; W371-E510 VanDerWaalsContact CE3-CD 3.48Å; W371-E510 HydrophobicContact CE3-CG 4.2Å; W371-E510 HydrophobicContact CZ3-CB 3.71Å; W371-E510 HydrophobicContact CZ3-CG 4.4Å; E372-E510 WeakPolarHBondContact CB-OE2 3.3Å; E372-E510 HydrophobicContact CG-CG 4.18Å; E372-E510 WeakPolarHBondContact CG-OE2 3.47Å; E372-E510 PolarHBondContact N-OE2 3.18Å; K464-E510 WeakPolarHBondContact CE-OE1 3.28Å; K464-E510 IonicContact NZ-OE1 2.82Å; K464-E510 PolarHBondContact NZ-OE1 3.15Å; F466-E510 WeakPolarHBondContact CE2-OE1 3.32Å; F502-E510 HydrophobicContact CD1-CB 4.09Å; F502-E510 HydrophobicContact CE1-CB 4.14Å; F502-E510 WeakPolarHBondContact CE1-O 3.44Å; F502-E510 HydrophobicContact CG-CB 4.42Å; F502-E510 HydrophobicContact CG-CG 4.47Å; L504-E510 HydrophobicContact CD2-CG 3.53Å; D507-E510 PolarHBondContact O-N 2.9Å; D507-E510 VanDerWaalsContact O-N 3.14Å; D507-E510 PolarHBondContact OD1-N 3.07Å; P508-E510 VanDerWaalsContact C-N 3.32Å | ||
| 511 | S | 96.2 | Very high | 97.5 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | trans | -95.5 | -25.5 | -174 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | D507 S509 | D507-S511 PolarHBondContact OD1-OG 2.9Å; D507-S511 VanDerWaalsContact OD1-OG 3.12Å; D507-S511 PolarHBondContact OD2-N 3.03Å; D507-S511 PolarHBondContact OD2-OG 3.34Å; S509-S511 PolarHBondContact O-N 3.18Å; S509-S511 VanDerWaalsContact O-N 3.13Å; S509-S511 WeakPolarHBondContact OG-CB 3.36Å; S509-S511 PolarHBondContact OG-OG 2.96Å; S509-S511 VanDerWaalsContact OG-OG 3.07Å | ||
| 512 | R | 96.4 | Very high | 97.5 | Very high | 192 Ų | 192 | 58.5 Ų | 58.5 | 73% | 0.725 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -127 | 94.1 | -173.7 | -64.3 | -179.6 | -172.9 | -159.4 | 1.1 | 110.2 | D507 | D507-R512 PolarHBondContact OD2-N 2.98Š|
| 513 | P | 97.6 | Very high | 97.5 | Very high | 60 Ų | 60 | 66 Ų | 66 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | trans | -65.8 | 145.1 | 174.6 | 28.7 | -34 | 0 | 0 | 0 | 110.7 | L500 L501 F502 | L500-P513 HydrophobicContact CD1-CB 3.34Å; L500-P513 HydrophobicContact CD1-CG 3.98Å; L500-P513 HydrophobicContact CG-CB 3.91Å; L501-P513 CarbonylContact O-C 3.52Å; L501-P513 WeakPolarHBondContact O-CA 3.39Å; F502-P513 HydrophobicContact CD1-CB 4.48Å; F502-P513 HydrophobicContact CE1-CB 3.84Å; F502-P513 HydrophobicContact CZ-CB 3.9Å | ||
| 514 | L | 98.4 | Very high | 97.4 | Very high | 35 Ų | 35 | 69.4 Ų | 69.4 | 18% | 0.183 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -86 | 154.7 | 175 | -60.2 | 173.8 | 0 | 0 | 0 | 110.4 | W463 L501 D503 E519 F522 | W463-L514 HydrophobicContact CE3-CD1 4.1Å; W463-L514 HydrophobicContact CH2-CD1 4.47Å; W463-L514 HydrophobicContact CZ3-CD1 3.44Å; W463-L514 VanDerWaalsContact CZ3-CD1 3.44Å; L501-L514 HydrophobicContact CB-CB 4.45Å; L501-L514 HydrophobicContact CG-CD1 4.5Å; L501-L514 PolarHBondContact O-N 3.13Å; D503-L514 HydrophobicContact CB-CD1 4.05Å; L514-E519 HydrophobicContact CB-CB 4.25Å; L514-E519 HydrophobicContact CD1-CB 4.34Å; L514-F522 WeakPolarHBondContact O-CE2 3.12Å |
| 515 | T | 97.8 | Very high | 97.5 | Very high | 59 Ų | 59 | 69.3 Ų | 69.3 | 36% | 0.362 | 38% | 0.384 | S | S | . | . | trans | -137.5 | 169.9 | 178.9 | 66.5 | 0 | 0 | 0 | 0 | 109.2 | D517 T518 E519 | T515-D517 PolarHBondContact O-N 2.96Å; T515-D517 VanDerWaalsContact O-N 3.11Å; T515-D517 PolarHBondContact OG1-N 3.37Å; T515-T518 PolarHBondContact N-OG1 2.94Å; T515-T518 PolarHBondContact O-N 2.88Å; T515-T518 PolarHBondContact O-OG1 3.33Å; T515-T518 PolarHBondContact OG1-N 2.87Å; T515-T518 PolarHBondContact OG1-OG1 3.35Å; T515-E519 PolarHBondContact O-N 2.88Å | ||
| 516 | A | 97 | Very high | 97.5 | Very high | 43 Ų | 43 | 67.4 Ų | 67.4 | 36% | 0.355 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F522 Y523 | A516-F522 HydrophobicContact CB-CB 4.45Å; A516-F522 HydrophobicContact CB-CD1 4.22Å; A516-F522 HydrophobicContact CB-CG 4.47Å; A516-Y523 HydrophobicContact CB-CD2 4.44Å; A516-Y523 HydrophobicContact CB-CE2 3.67Å |
| 517 | D | 97 | Very high | 97.6 | Very high | 159 Ų | 159 | 63.2 Ų | 63.2 | 85% | 0.85 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -28 | 176.7 | -57.9 | -39.9 | 0 | 0 | 0 | 112.7 | T515 | T515-D517 PolarHBondContact O-N 2.96Å; T515-D517 VanDerWaalsContact O-N 3.11Å; T515-D517 PolarHBondContact OG1-N 3.37Å |
| 518 | T | 97 | Very high | 97.6 | Very high | 87 Ų | 87 | 63.3 Ų | 63.3 | 53% | 0.534 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -18.2 | -174.8 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | T515 | T515-T518 PolarHBondContact N-OG1 2.94Å; T515-T518 PolarHBondContact O-N 2.88Å; T515-T518 PolarHBondContact O-OG1 3.33Å; T515-T518 PolarHBondContact OG1-N 2.87Å; T515-T518 PolarHBondContact OG1-OG1 3.35Å |
| 519 | E | 97.3 | Very high | 97.7 | Very high | 32 Ų | 32 | 61.6 Ų | 61.6 | 15% | 0.15 | 36% | 0.355 | C | S | . | . | trans | -133.8 | 106.6 | 176.9 | 178.2 | 46.4 | -106.5 | 0 | 0 | 110.6 | W463 L514 T515 A521 F522 I525 | W463-E519 HydrophobicContact CH2-CG 4.37Å; W463-E519 WeakPolarHBondContact CH2-OE2 3.33Å; W463-E519 HydrophobicContact CZ3-CG 4.47Å; L514-E519 HydrophobicContact CB-CB 4.25Å; L514-E519 HydrophobicContact CD1-CB 4.34Å; T515-E519 PolarHBondContact O-N 2.88Å; E519-A521 PolarHBondContact O-N 3.4Å; E519-A521 WeakPolarHBondContact OE1-CB 3.48Å; E519-A521 PolarHBondContact OE1-N 2.98Å; E519-F522 HydrophobicContact CB-CB 4.33Å; E519-F522 HydrophobicContact CG-CB 4.46Å; E519-F522 WeakPolarHBondContact O-CB 3.35Å; E519-F522 PolarHBondContact O-N 3.2Å; E519-I525 HydrophobicContact CG-CD1 3.89Å | ||
| 520 | P | 96.9 | Very high | 97.8 | Very high | 130 Ų | 130 | 65.6 Ų | 65.6 | 84% | 0.844 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -29.1 | 179.6 | -26.3 | 35.3 | 0 | 0 | 0 | 114.4 | F522 | P520-F522 VanDerWaalsContact C-N 3.31Š|
| 521 | A | 97.1 | Very high | 97.8 | Very high | 35 Ų | 35 | 71.8 Ų | 71.8 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 9.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E519 Y523 S524 I525 | E519-A521 PolarHBondContact O-N 3.4Å; E519-A521 WeakPolarHBondContact OE1-CB 3.48Å; E519-A521 PolarHBondContact OE1-N 2.98Å; A521-Y523 PolarHBondContact O-N 3.37Å; A521-S524 PolarHBondContact O-N 3.15Å; A521-S524 PolarHBondContact O-OG 3.25Å; A521-I525 HydrophobicContact CB-CD1 3.82Å; A521-I525 HydrophobicContact CB-CG1 4.07Å; A521-I525 WeakPolarHBondContact O-CD1 3.4Å; A521-I525 VanDerWaalsContact O-CG1 3.27Å; A521-I525 WeakPolarHBondContact O-CG1 3.36Å; A521-I525 PolarHBondContact O-N 3.01Å |
| 522 | F | 98.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 69.2 Ų | 69.2 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -48.9 | -52 | -171.9 | -178.4 | -94.8 | 0 | 0 | 0 | 113.4 | P498 L501 L514 A516 E519 P520 L526 | P498-F522 HydrophobicContact CB-CE1 4.1Å; P498-F522 HydrophobicContact CB-CZ 4.37Å; P498-F522 HydrophobicContact CG-CE1 3.85Å; P498-F522 HydrophobicContact CG-CZ 4.09Å; L501-F522 HydrophobicContact CB-CD2 4.3Å; L501-F522 HydrophobicContact CB-CE2 3.75Å; L501-F522 HydrophobicContact CD2-CD2 3.67Å; L501-F522 HydrophobicContact CD2-CE2 3.98Å; L501-F522 HydrophobicContact CD2-CG 4.49Å; L514-F522 WeakPolarHBondContact O-CE2 3.12Å; A516-F522 HydrophobicContact CB-CB 4.45Å; A516-F522 HydrophobicContact CB-CD1 4.22Å; A516-F522 HydrophobicContact CB-CG 4.47Å; E519-F522 HydrophobicContact CB-CB 4.33Å; E519-F522 HydrophobicContact CG-CB 4.46Å; E519-F522 WeakPolarHBondContact O-CB 3.35Å; E519-F522 PolarHBondContact O-N 3.2Å; P520-F522 VanDerWaalsContact C-N 3.31Å; F522-L526 HydrophobicContact CD1-CD1 3.92Å; F522-L526 HydrophobicContact CE1-CD1 3.37Å; F522-L526 HydrophobicContact CE2-CD1 4.24Å; F522-L526 HydrophobicContact CZ-CD1 3.56Å; F522-L526 WeakPolarHBondContact O-CG 3.3Å; F522-L526 PolarHBondContact O-N 2.86Å; F522-L526 VanDerWaalsContact O-N 3.13Å |
| 523 | Y | 98.4 | Very high | 98 | Very high | 159 Ų | 159 | 60.5 Ų | 60.5 | 62% | 0.624 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -72.4 | -32.1 | -178.6 | -67.6 | -67.2 | 0 | 0 | 0 | 113.7 | A516 A521 A527 | A516-Y523 HydrophobicContact CB-CD2 4.44Å; A516-Y523 HydrophobicContact CB-CE2 3.67Å; A521-Y523 PolarHBondContact O-N 3.37Å; Y523-A527 VanDerWaalsContact O-CB 3.29Å; Y523-A527 WeakPolarHBondContact O-CB 3.48Å; Y523-A527 PolarHBondContact O-N 3.11Å |
| 524 | S | 98.1 | Very high | 98.1 | Very high | 78 Ų | 78 | 61.8 Ų | 61.8 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -73.4 | -36.7 | 178.2 | 58 | 0 | 0 | 0 | 0 | 111.7 | A521 A527 A528 | A521-S524 PolarHBondContact O-N 3.15Å; A521-S524 PolarHBondContact O-OG 3.25Å; S524-A527 PolarHBondContact O-N 2.95Å; S524-A528 PolarHBondContact O-N 2.87Å |
| 525 | I | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.6 | -53.2 | 171.9 | -66.2 | 161.7 | 0 | 0 | 0 | 109.8 | W454 W463 L501 E519 A521 A527 A528 M529 | W454-I525 HydrophobicContact CE3-CG2 4.06Å; W454-I525 HydrophobicContact CZ3-CB 4.3Å; W454-I525 HydrophobicContact CZ3-CG1 4.18Å; W454-I525 HydrophobicContact CZ3-CG2 4.1Å; W463-I525 HydrophobicContact CB-CG2 4.04Å; W463-I525 HydrophobicContact CD2-CD1 3.96Å; W463-I525 HydrophobicContact CD2-CG2 4.23Å; W463-I525 HydrophobicContact CE3-CD1 4.11Å; W463-I525 HydrophobicContact CG-CG2 3.9Å; W463-I525 HydrophobicContact CH2-CD1 3.93Å; W463-I525 HydrophobicContact CZ2-CD1 3.8Å; W463-I525 HydrophobicContact CZ3-CD1 4.06Å; L501-I525 HydrophobicContact CD1-CG2 3.92Å; L501-I525 HydrophobicContact CD2-CB 4.35Å; L501-I525 HydrophobicContact CD2-CD1 4.31Å; L501-I525 HydrophobicContact CD2-CG2 3.99Å; E519-I525 HydrophobicContact CG-CD1 3.89Å; A521-I525 HydrophobicContact CB-CD1 3.82Å; A521-I525 HydrophobicContact CB-CG1 4.07Å; A521-I525 WeakPolarHBondContact O-CD1 3.4Å; A521-I525 VanDerWaalsContact O-CG1 3.27Å; A521-I525 WeakPolarHBondContact O-CG1 3.36Å; A521-I525 PolarHBondContact O-N 3.01Å; I525-A527 VanDerWaalsContact C-N 3.28Å; I525-A527 PolarHBondContact O-N 3.28Å; I525-A528 PolarHBondContact O-N 3.17Å; I525-M529 HydrophobicContact CG2-SD 3.68Å; I525-M529 WeakPolarHBondContact O-CG 3.21Å; I525-M529 PolarHBondContact O-N 2.89Å |
| 526 | L | 98.7 | Very high | 98.1 | Very high | 19 Ų | 19 | 62.1 Ų | 62.1 | 10% | 0.099 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 179.6 | -69.8 | 178.8 | 0 | 0 | 0 | 112.8 | A465 P498 P499 L501 F522 K530 | A465-L526 HydrophobicContact CB-CD2 3.82Å; P498-L526 HydrophobicContact CB-CD1 3.87Å; P499-L526 HydrophobicContact CB-CD2 4.03Å; P499-L526 HydrophobicContact CG-CD2 4.37Å; L501-L526 HydrophobicContact CB-CD2 4.45Å; L501-L526 HydrophobicContact CD1-CD2 4.2Å; F522-L526 HydrophobicContact CD1-CD1 3.92Å; F522-L526 HydrophobicContact CE1-CD1 3.37Å; F522-L526 HydrophobicContact CE2-CD1 4.24Å; F522-L526 HydrophobicContact CZ-CD1 3.56Å; F522-L526 WeakPolarHBondContact O-CG 3.3Å; F522-L526 PolarHBondContact O-N 2.86Å; F522-L526 VanDerWaalsContact O-N 3.13Å; L526-K530 VanDerWaalsContact O-CB 3.28Å; L526-K530 WeakPolarHBondContact O-CB 3.12Å; L526-K530 PolarHBondContact O-N 3.04Å |
| 527 | A | 98.6 | Very high | 98.1 | Very high | 58 Ų | 58 | 65 Ų | 65 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y523 S524 I525 K530 Q531 | Y523-A527 VanDerWaalsContact O-CB 3.29Å; Y523-A527 WeakPolarHBondContact O-CB 3.48Å; Y523-A527 PolarHBondContact O-N 3.11Å; S524-A527 PolarHBondContact O-N 2.95Å; I525-A527 VanDerWaalsContact C-N 3.28Å; I525-A527 PolarHBondContact O-N 3.28Å; A527-K530 PolarHBondContact O-N 3.45Å; A527-Q531 PolarHBondContact O-N 2.88Å |
| 528 | A | 98.5 | Very high | 98.1 | Very high | 25 Ų | 25 | 65.7 Ų | 65.7 | 21% | 0.207 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | W454 S524 I525 K530 Q531 A532 | W454-A528 HydrophobicContact CH2-CB 3.89Å; W454-A528 HydrophobicContact CZ2-CB 4.13Å; W454-A528 HydrophobicContact CZ3-CB 4.14Å; S524-A528 PolarHBondContact O-N 2.87Å; I525-A528 PolarHBondContact O-N 3.17Å; A528-K530 PolarHBondContact O-N 3.11Å; A528-Q531 PolarHBondContact O-N 3.46Å; A528-A532 PolarHBondContact O-N 3.33Å |
| 529 | M | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 176.8 | -67.4 | 172.3 | 96.4 | 0 | 0 | 112.1 | F440 V452 W454 W463 A465 L501 I525 Q531 A532 V533 | F440-M529 HydrophobicContact CE1-CG 4.34Å; V452-M529 HydrophobicContact CG1-CB 3.86Å; V452-M529 HydrophobicContact CG1-CE 3.73Å; V452-M529 HydrophobicContact CG1-CG 4.38Å; V452-M529 WeakPolarHBondContact O-CE 3.14Å; W454-M529 HydrophobicContact CB-CE 4.11Å; W454-M529 HydrophobicContact CB-CG 3.96Å; W454-M529 HydrophobicContact CB-SD 4.44Å; W454-M529 HydrophobicContact CE3-CG 4.25Å; W454-M529 HydrophobicContact CG-CG 4.47Å; W463-M529 HydrophobicContact CB-CE 4.26Å; W463-M529 HydrophobicContact CB-SD 4.29Å; A465-M529 HydrophobicContact CB-CE 3.57Å; A465-M529 HydrophobicContact CB-SD 3.85Å; L501-M529 HydrophobicContact CD1-SD 4.06Å; I525-M529 HydrophobicContact CG2-SD 3.68Å; I525-M529 WeakPolarHBondContact O-CG 3.21Å; I525-M529 PolarHBondContact O-N 2.89Å; M529-Q531 PolarHBondContact O-N 3.22Å; M529-A532 PolarHBondContact O-N 3.46Å; M529-V533 WeakPolarHBondContact O-CG2 3.5Å; M529-V533 PolarHBondContact O-N 2.9Å |
| 530 | K | 98.6 | Very high | 98 | Very high | 123 Ų | 123 | 63 Ų | 63 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 175.2 | -177.1 | 179.4 | 177.5 | 179.8 | 0 | 111.8 | L526 A527 A528 A532 V533 E534 | L526-K530 VanDerWaalsContact O-CB 3.28Å; L526-K530 WeakPolarHBondContact O-CB 3.12Å; L526-K530 PolarHBondContact O-N 3.04Å; A527-K530 PolarHBondContact O-N 3.45Å; A528-K530 PolarHBondContact O-N 3.11Å; K530-A532 PolarHBondContact O-N 3.36Å; K530-V533 PolarHBondContact O-N 3.08Å; K530-E534 WeakPolarHBondContact CE-OE1 3.49Å; K530-E534 WeakPolarHBondContact O-CG 3.44Å; K530-E534 PolarHBondContact O-N 2.93Å |
| 531 | Q | 98.6 | Very high | 97.9 | Very high | 130 Ų | 130 | 64.5 Ų | 64.5 | 61% | 0.607 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.9 | -44.4 | 177 | -176.8 | 179.3 | -0.8 | 0 | 0 | 111.6 | A527 A528 M529 V533 E534 V535 | A527-Q531 PolarHBondContact O-N 2.88Å; A528-Q531 PolarHBondContact O-N 3.46Å; M529-Q531 PolarHBondContact O-N 3.22Å; Q531-V533 VanDerWaalsContact C-N 3.32Å; Q531-V533 PolarHBondContact O-N 3.34Å; Q531-E534 PolarHBondContact O-N 2.9Å; Q531-V535 WeakPolarHBondContact O-CG2 3.27Å; Q531-V535 PolarHBondContact O-N 3.33Å |
| 532 | A | 98.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 69.3 Ų | 69.3 | 12% | 0.116 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F440 F442 A528 M529 K530 V535 H536 | F440-A532 HydrophobicContact CD1-CB 3.52Å; F440-A532 HydrophobicContact CD2-CB 3.87Å; F440-A532 HydrophobicContact CE1-CB 3.37Å; F440-A532 HydrophobicContact CE2-CB 3.74Å; F440-A532 HydrophobicContact CG-CB 3.76Å; F440-A532 HydrophobicContact CZ-CB 3.49Å; F440-A532 VanDerWaalsContact CZ-CB 3.49Å; F442-A532 HydrophobicContact CZ-CB 4.38Å; A528-A532 PolarHBondContact O-N 3.33Å; M529-A532 PolarHBondContact O-N 3.46Å; K530-A532 PolarHBondContact O-N 3.36Å; A532-V535 PolarHBondContact O-N 3.49Å; A532-H536 WeakPolarHBondContact O-CB 3.45Å; A532-H536 PolarHBondContact O-N 3.23Å |
| 533 | V | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 71.3 Ų | 71.3 | 6% | 0.055 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 174 | 164.8 | 0 | 0 | 0 | 0 | 111.9 | F442 L449 V452 Y467 M529 K530 Q531 V535 H536 Q537 | F442-V533 HydrophobicContact CD1-CG2 4.05Å; F442-V533 HydrophobicContact CE1-CG2 3.83Å; L449-V533 HydrophobicContact CD2-CB 4.25Å; L449-V533 HydrophobicContact CD2-CG1 3.37Å; L449-V533 HydrophobicContact CD2-CG2 3.88Å; V452-V533 HydrophobicContact CB-CG2 4Å; V452-V533 HydrophobicContact CG1-CG2 4.06Å; V452-V533 HydrophobicContact CG2-CG2 4.11Å; Y467-V533 HydrophobicContact CE2-CG2 4.25Å; Y467-V533 WeakPolarHBondContact OH-CG2 3.4Å; M529-V533 WeakPolarHBondContact O-CG2 3.5Å; M529-V533 PolarHBondContact O-N 2.9Å; K530-V533 PolarHBondContact O-N 3.08Å; Q531-V533 VanDerWaalsContact C-N 3.32Å; Q531-V533 PolarHBondContact O-N 3.34Å; V533-V535 VanDerWaalsContact C-N 3.32Å; V533-V535 PolarHBondContact O-N 3.05Å; V533-H536 PolarHBondContact O-N 3.24Å; V533-Q537 HydrophobicContact CG1-CG 4.21Å; V533-Q537 WeakPolarHBondContact O-CB 3.29Å; V533-Q537 VanDerWaalsContact O-CG 3.32Å; V533-Q537 WeakPolarHBondContact O-CG 3.45Å; V533-Q537 PolarHBondContact O-N 3.34Å |
| 534 | E | 98.4 | Very high | 97.3 | Very high | 86 Ų | 86 | 69.3 Ų | 69.3 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 177.1 | -72 | 174.9 | -168.5 | 0 | 0 | 112.2 | K530 Q531 K538 | K530-E534 WeakPolarHBondContact CE-OE1 3.49Å; K530-E534 WeakPolarHBondContact O-CG 3.44Å; K530-E534 PolarHBondContact O-N 2.93Å; Q531-E534 PolarHBondContact O-N 2.9Å; E534-K538 WeakPolarHBondContact O-CD 3.34Å; E534-K538 VanDerWaalsContact O-CG 3.26Å; E534-K538 WeakPolarHBondContact O-CG 3.24Å; E534-K538 PolarHBondContact O-N 3.44Å |
| 535 | V | 98.3 | Very high | 97.2 | Very high | 92 Ų | 92 | 67.3 Ų | 67.3 | 56% | 0.558 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.1 | -47.6 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | Q531 A532 V533 Q537 K538 S539 | Q531-V535 WeakPolarHBondContact O-CG2 3.27Å; Q531-V535 PolarHBondContact O-N 3.33Å; A532-V535 PolarHBondContact O-N 3.49Å; V533-V535 VanDerWaalsContact C-N 3.32Å; V533-V535 PolarHBondContact O-N 3.05Å; V535-Q537 PolarHBondContact O-N 2.67Å; V535-K538 PolarHBondContact O-N 3.35Å; V535-S539 PolarHBondContact O-N 2.97Å |
| 536 | H | 98.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 5% | 0.046 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.4 | -49.6 | 179 | 173.8 | 73.8 | 0 | 0 | 0 | 111.8 | Y90 F442 Y444 A532 V533 K538 S539 V540 | Y90-H536 AromaticContact CD2-CE1 3.66Å; Y90-H536 AromaticContact CE2-CE1 3.83Å; F442-H536 HydrophobicContact CD1-CB 4.17Å; F442-H536 AromaticContact CD1-CD2 3.99Å; F442-H536 AromaticContact CD1-CG 3.99Å; F442-H536 HydrophobicContact CD2-CB 4.18Å; F442-H536 AromaticContact CD2-CE1 3.74Å; F442-H536 AromaticContact CD2-CG 3.6Å; F442-H536 AromaticContact CD2-ND1 3.41Å; F442-H536 WeakPolarHBondContact CD2-ND1 3.38Å; F442-H536 HydrophobicContact CE1-CB 3.66Å; F442-H536 AromaticContact CE1-CG 3.97Å; F442-H536 HydrophobicContact CE2-CB 3.67Å; F442-H536 AromaticContact CE2-CG 3.59Å; F442-H536 AromaticContact CE2-ND1 3.52Å; F442-H536 HydrophobicContact CG-CB 4.41Å; F442-H536 AromaticContact CG-CD2 3.81Å; F442-H536 AromaticContact CG-CG 3.81Å; F442-H536 HydrophobicContact CZ-CB 3.39Å; F442-H536 AromaticContact CZ-CG 3.78Å; Y444-H536 AromaticContact CE2-NE2 3.46Å; Y444-H536 WeakPolarHBondContact CE2-NE2 3.07Å; Y444-H536 AromaticContact CZ-NE2 3.68Å; Y444-H536 PolarHBondContact OH-CD2 2.67Å; Y444-H536 PolarHBondContact OH-NE2 3.2Å; A532-H536 WeakPolarHBondContact O-CB 3.45Å; A532-H536 PolarHBondContact O-N 3.23Å; V533-H536 PolarHBondContact O-N 3.24Å; H536-K538 VanDerWaalsContact C-N 3.26Å; H536-K538 PolarHBondContact O-N 3.46Å; H536-S539 WeakPolarHBondContact O-CA 3.31Å; H536-S539 WeakPolarHBondContact O-CB 3.4Å; H536-S539 PolarHBondContact O-N 3.15Å; H536-S539 PolarHBondContact O-OG 3.49Å; H536-V540 PolarHBondContact O-N 3.21Å |
| 537 | Q | 97.4 | Very high | 97 | Very high | 103 Ų | 103 | 66.3 Ų | 66.3 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.4 | -34.7 | -179.9 | -74.5 | 179.1 | -21.9 | 0 | 0 | 112.5 | V533 V535 S539 V540 | V533-Q537 HydrophobicContact CG1-CG 4.21Å; V533-Q537 WeakPolarHBondContact O-CB 3.29Å; V533-Q537 VanDerWaalsContact O-CG 3.32Å; V533-Q537 WeakPolarHBondContact O-CG 3.45Å; V533-Q537 PolarHBondContact O-N 3.34Å; V535-Q537 PolarHBondContact O-N 2.67Å; Q537-S539 VanDerWaalsContact C-N 3.26Å; Q537-S539 PolarHBondContact O-N 2.94Å; Q537-V540 PolarHBondContact O-N 2.81Å |
| 538 | K | 97.1 | Very high | 96.8 | Very high | 173 Ų | 173 | 65.2 Ų | 65.2 | 75% | 0.752 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.1 | -28.3 | 173 | -72.6 | 168.4 | -173.8 | 169.6 | 0 | 112.9 | E534 V535 H536 | E534-K538 WeakPolarHBondContact O-CD 3.34Å; E534-K538 VanDerWaalsContact O-CG 3.26Å; E534-K538 WeakPolarHBondContact O-CG 3.24Å; E534-K538 PolarHBondContact O-N 3.44Å; V535-K538 PolarHBondContact O-N 3.35Å; H536-K538 VanDerWaalsContact C-N 3.26Å; H536-K538 PolarHBondContact O-N 3.46Å |
| 539 | S | 96.7 | Very high | 96.6 | Very high | 34 Ų | 34 | 66.4 Ų | 66.4 | 24% | 0.238 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -77 | -21.5 | 175.4 | 82.7 | 0 | 0 | 0 | 0 | 113.2 | R93 V535 H536 Q537 K541 | R93-S539 PolarHBondContact NH1-O 3.48Å; R93-S539 VanDerWaalsContact NH1-O 3.11Å; R93-S539 PolarHBondContact NH1-OG 3.24Å; R93-S539 PolarHBondContact NH2-OG 2.97Å; V535-S539 PolarHBondContact O-N 2.97Å; H536-S539 WeakPolarHBondContact O-CA 3.31Å; H536-S539 WeakPolarHBondContact O-CB 3.4Å; H536-S539 PolarHBondContact O-N 3.15Å; H536-S539 PolarHBondContact O-OG 3.49Å; Q537-S539 VanDerWaalsContact C-N 3.26Å; Q537-S539 PolarHBondContact O-N 2.94Å; S539-K541 PolarHBondContact O-N 2.77Å |
| 540 | V | 96.3 | Very high | 96.3 | Very high | 28 Ų | 28 | 68.9 Ų | 68.9 | 17% | 0.17 | 37% | 0.37 | C | S | . | . | trans | -81.3 | 101.7 | -178.3 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | I92 H536 Q537 | I92-V540 HydrophobicContact CB-CG1 4.45Å; I92-V540 HydrophobicContact CG1-CG1 3.82Å; I92-V540 HydrophobicContact CG2-CG1 3.86Å; I92-V540 HydrophobicContact CG2-CG2 4.14Å; H536-V540 PolarHBondContact O-N 3.21Å; Q537-V540 PolarHBondContact O-N 2.81Å | ||
| 541 | K | 94.4 | Very high | 96.2 | Very high | 163 Ų | 163 | 64.3 Ų | 64.3 | 71% | 0.709 | 35% | 0.35 | S | S | * | . | trans | -76.1 | 138.1 | 176 | -62 | -179.9 | -175.9 | 174 | 0 | 110.1 | S539 V543 | S539-K541 PolarHBondContact O-N 2.77Å; K541-V543 PolarHBondContact O-N 2.8Å | ||
| 542 | P | 92.3 | Very high | 96 | Very high | 135 Ų | 135 | 59 Ų | 59 | 88% | 0.877 | 33% | 0.326 | S | S | * | . | trans | -57.1 | 131.7 | 174.4 | -24.9 | 34.1 | 0 | 0 | 0 | 111.8 | ||||
| 543 | V | 94.5 | Very high | 95.8 | Very high | 51 Ų | 51 | 63.7 Ų | 63.7 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | trans | -132.8 | 155.1 | 175.9 | -68.2 | 0 | 0 | 0 | 0 | 109.4 | I92 K541 S545 | I92-V543 VanDerWaalsContact O-CG2 3.23Å; I92-V543 WeakPolarHBondContact O-CG2 3.48Å; K541-V543 PolarHBondContact O-N 2.8Å; V543-S545 PolarHBondContact O-N 3.37Å | ||
| 544 | E | 94.2 | Very high | 95.6 | Very high | 117 Ų | 117 | 67.5 Ų | 67.5 | 55% | 0.547 | 36% | 0.36 | S | S | . | . | trans | -63.7 | 126.3 | 175.7 | -179.3 | 173.6 | -155.4 | 0 | 0 | 110.7 | G95 Q546 H551 | G95-E544 WeakPolarHBondContact CA-O 3.35Å; E544-Q546 PolarHBondContact O-N 3.12Å; E544-H551 IonicContact OE1-CE1 2.84Å; E544-H551 PolarHBondContact OE1-CE1 2.95Å; E544-H551 VanDerWaalsContact OE1-CE1 3.23Å; E544-H551 IonicContact OE1-NE2 3.35Å | ||
| 545 | S | 95.8 | Very high | 95.5 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | trans | -72.4 | 117.9 | 176.8 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | A97 V543 L547 S548 H551 | A97-S545 PolarHBondContact O-OG 2.94Å; V543-S545 PolarHBondContact O-N 3.37Å; S545-L547 PolarHBondContact O-N 3.26Å; S545-L547 PolarHBondContact OG-N 3.27Å; S545-S548 PolarHBondContact O-N 3.08Å; S545-H551 PolarHBondContact O-ND1 3.35Å | ||
| 546 | Q | 97.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.019 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6.2 | 173.7 | -59.6 | -59.6 | -60.7 | 0 | 0 | 112 | G95 F105 G113 L115 E544 H551 | G95-Q546 WeakPolarHBondContact O-CB 3.44Å; G95-Q546 PolarHBondContact O-N 3.05Å; F105-Q546 VanDerWaalsContact CE1-O 3.23Å; F105-Q546 WeakPolarHBondContact CE1-O 3.46Å; F105-Q546 HydrophobicContact CZ-CB 4.41Å; G113-Q546 WeakPolarHBondContact O-CB 3.45Å; G113-Q546 VanDerWaalsContact O-CG 3.26Å; G113-Q546 WeakPolarHBondContact O-CG 3.43Å; L115-Q546 HydrophobicContact CD1-CG 4.46Å; L115-Q546 HydrophobicContact CD2-CG 4.3Å; L115-Q546 HydrophobicContact CG-CG 4.1Å; E544-Q546 PolarHBondContact O-N 3.12Å; Q546-H551 VanDerWaalsContact O-CB 3.22Å; Q546-H551 WeakPolarHBondContact O-CB 3.23Å |
| 547 | L | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 27.3 | 173.4 | -68.3 | 172.2 | 0 | 0 | 0 | 112 | G103 F105 S545 I552 | G103-L547 WeakPolarHBondContact O-CD1 3.4Å; F105-L547 HydrophobicContact CD1-CD2 3.9Å; F105-L547 HydrophobicContact CE1-CD2 3.61Å; F105-L547 HydrophobicContact CE2-CD2 4.34Å; F105-L547 HydrophobicContact CG-CD2 4.36Å; F105-L547 HydrophobicContact CZ-CD2 3.84Å; F105-L547 HydrophobicContact CZ-CG 4.46Å; S545-L547 PolarHBondContact O-N 3.26Å; S545-L547 PolarHBondContact OG-N 3.27Å; L547-I552 HydrophobicContact CB-CG2 4.36Å; L547-I552 HydrophobicContact CD2-CG2 3.89Å |
| 548 | S | 94.9 | Very high | 95.2 | Very high | 36 Ų | 36 | 66 Ų | 66 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -74.2 | 162.3 | 171.3 | 87.4 | 0 | 0 | 0 | 0 | 111.3 | S545 A550 H551 I552 | S545-S548 PolarHBondContact O-N 3.08Å; S548-A550 PolarHBondContact O-N 3.49Å; S548-A550 PolarHBondContact OG-N 2.95Å; S548-H551 PolarHBondContact O-N 2.88Å; S548-H551 PolarHBondContact OG-N 2.88Å; S548-H551 PolarHBondContact OG-ND1 2.89Å; S548-I552 WeakPolarHBondContact O-CG1 3.32Å; S548-I552 PolarHBondContact O-N 3.41Å |
| 549 | A | 93 | Very high | 95.1 | Very high | 49 Ų | 49 | 58 Ų | 58 | 41% | 0.405 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.2 | -41.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | L100 H551 M553 | L100-A549 HydrophobicContact CD1-CB 3.87Å; L100-A549 VanDerWaalsContact CD1-N 3.28Å; A549-H551 VanDerWaalsContact C-N 3.28Å; A549-H551 PolarHBondContact O-N 3.34Å; A549-M553 WeakPolarHBondContact O-CB 3.37Å; A549-M553 WeakPolarHBondContact O-CG 3.36Å; A549-M553 PolarHBondContact O-N 2.86Å |
| 550 | A | 94 | Very high | 95 | Very high | 53 Ų | 53 | 56.7 Ų | 56.7 | 44% | 0.438 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.1 | -27.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S548 K555 | S548-A550 PolarHBondContact O-N 3.49Å; S548-A550 PolarHBondContact OG-N 2.95Å; A550-K555 WeakPolarHBondContact O-CE 3.17Å; A550-K555 PolarHBondContact O-NZ 2.8Å |
| 551 | H | 96.3 | Very high | 94.9 | Very high | 28 Ų | 28 | 57 Ų | 57 | 13% | 0.13 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -87.7 | -32.4 | -179.2 | -70.8 | 119.4 | 0 | 0 | 0 | 112.9 | A110 S111 G112 E544 S545 Q546 S548 A549 | A110-H551 WeakPolarHBondContact CB-O 3.27Å; S111-H551 PolarHBondContact N-O 2.94Å; S111-H551 PolarHBondContact OG-CD2 2.75Å; G112-H551 PolarHBondContact N-O 3.48Å; G112-H551 VanDerWaalsContact N-O 3.1Å; E544-H551 IonicContact OE1-CE1 2.84Å; E544-H551 PolarHBondContact OE1-CE1 2.95Å; E544-H551 VanDerWaalsContact OE1-CE1 3.23Å; E544-H551 IonicContact OE1-NE2 3.35Å; S545-H551 PolarHBondContact O-ND1 3.35Å; Q546-H551 VanDerWaalsContact O-CB 3.22Å; Q546-H551 WeakPolarHBondContact O-CB 3.23Å; S548-H551 PolarHBondContact O-N 2.88Å; S548-H551 PolarHBondContact OG-N 2.88Å; S548-H551 PolarHBondContact OG-ND1 2.89Å; A549-H551 VanDerWaalsContact C-N 3.28Å; A549-H551 PolarHBondContact O-N 3.34Å |
| 552 | I | 94.9 | Very high | 94.7 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -91.8 | -16.8 | -176.2 | 69.6 | -178.2 | 0 | 0 | 0 | 114.5 | L100 P102 F105 F107 L547 S548 | L100-I552 HydrophobicContact CD1-CD1 3.81Å; P102-I552 HydrophobicContact CB-CD1 4.14Å; P102-I552 HydrophobicContact CG-CD1 4.01Å; F105-I552 HydrophobicContact CD1-CG2 4.32Å; F105-I552 HydrophobicContact CE1-CG2 4.33Å; F107-I552 WeakPolarHBondContact CD2-O 3.42Å; L547-I552 HydrophobicContact CB-CG2 4.36Å; L547-I552 HydrophobicContact CD2-CG2 3.89Å; S548-I552 WeakPolarHBondContact O-CG1 3.32Å; S548-I552 PolarHBondContact O-N 3.41Å |
| 553 | M | 93.1 | Very high | 94.5 | Very high | 113 Ų | 113 | 46.7 Ų | 46.7 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -68.6 | 145 | 179.1 | -80.1 | -172.6 | -51.1 | 0 | 0 | 111.6 | A549 K555 | A549-M553 WeakPolarHBondContact O-CB 3.37Å; A549-M553 WeakPolarHBondContact O-CG 3.36Å; A549-M553 PolarHBondContact O-N 2.86Å; M553-K555 PolarHBondContact O-N 3.49Å |
| 554 | W | 94.8 | Very high | 94 | Very high | 89 Ų | 89 | 47.3 Ų | 47.3 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | trans | -62.8 | 126.6 | 172.6 | -179.2 | 73.1 | 0 | 0 | 0 | 111.2 | F107 L239 P556 | F107-W554 HydrophobicContact CD1-CB 3.93Å; F107-W554 AromaticContact CD1-CD1 3.88Å; F107-W554 HydrophobicContact CD1-CG 4.19Å; F107-W554 HydrophobicContact CD2-CB 4Å; F107-W554 HydrophobicContact CE1-CB 4.09Å; F107-W554 HydrophobicContact CE1-CG 4.47Å; F107-W554 HydrophobicContact CE2-CB 4.16Å; F107-W554 HydrophobicContact CG-CB 3.89Å; F107-W554 HydrophobicContact CG-CG 4.47Å; F107-W554 HydrophobicContact CZ-CB 4.2Å; L239-W554 HydrophobicContact CD1-CZ2 4.11Å; W554-P556 HydrophobicContact CE3-CG 4.1Å; W554-P556 HydrophobicContact CH2-CB 4Å; W554-P556 HydrophobicContact CH2-CG 3.74Å; W554-P556 HydrophobicContact CZ2-CB 4.29Å; W554-P556 HydrophobicContact CZ2-CG 4.34Å; W554-P556 HydrophobicContact CZ3-CB 4.38Å; W554-P556 HydrophobicContact CZ3-CG 3.61Å | ||
| 555 | K | 96.4 | Very high | 93.3 | Very high | 38 Ų | 38 | 47.5 Ų | 47.5 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | trans | -117 | 110.7 | 179 | -69.4 | 174.2 | 176.6 | -176.9 | 0 | 109.6 | A109 S111 A550 M553 W557 L558 | A109-K555 WeakPolarHBondContact CB-O 3.34Å; A109-K555 WeakPolarHBondContact O-CB 3.38Å; A109-K555 PolarHBondContact O-N 2.82Å; S111-K555 PolarHBondContact OG-NZ 3.3Å; A550-K555 WeakPolarHBondContact O-CE 3.17Å; A550-K555 PolarHBondContact O-NZ 2.8Å; M553-K555 PolarHBondContact O-N 3.49Å; K555-W557 HydrophobicContact CB-CD2 4.2Å; K555-W557 HydrophobicContact CB-CH2 4.21Å; K555-W557 HydrophobicContact CB-CZ2 3.87Å; K555-W557 HydrophobicContact CD-CH2 4.47Å; K555-W557 HydrophobicContact CD-CZ2 3.72Å; K555-W557 HydrophobicContact CG-CH2 4.04Å; K555-W557 HydrophobicContact CG-CZ2 3.72Å; K555-W557 PolarHBondContact O-N 3.46Å; K555-W557 VanDerWaalsContact O-N 3.12Å; K555-L558 HydrophobicContact CB-CB 4.21Å; K555-L558 HydrophobicContact CB-CD1 3.89Å; K555-L558 HydrophobicContact CB-CG 3.87Å; K555-L558 HydrophobicContact CD-CD1 3.61Å; K555-L558 HydrophobicContact CD-CG 4.32Å; K555-L558 HydrophobicContact CG-CD1 4.35Å; K555-L558 PolarHBondContact O-N 3.17Å | ||
| 556 | P | 94.3 | Very high | 92.5 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 40% | 0.403 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -54.8 | -35.9 | -175.1 | -24.7 | 29 | 0 | 0 | 0 | 114.7 | W554 L558 Q559 | W554-P556 HydrophobicContact CE3-CG 4.1Å; W554-P556 HydrophobicContact CH2-CB 4Å; W554-P556 HydrophobicContact CH2-CG 3.74Å; W554-P556 HydrophobicContact CZ2-CB 4.29Å; W554-P556 HydrophobicContact CZ2-CG 4.34Å; W554-P556 HydrophobicContact CZ3-CB 4.38Å; W554-P556 HydrophobicContact CZ3-CG 3.61Å; P556-L558 VanDerWaalsContact C-N 3.26Å; P556-L558 PolarHBondContact O-N 2.92Å; P556-Q559 WeakPolarHBondContact O-CB 3.22Å; P556-Q559 PolarHBondContact O-N 2.95Å |
| 557 | W | 95.3 | Very high | 91.7 | Very high | 160 Ų | 160 | 57.6 Ų | 57.6 | 61% | 0.606 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -75.5 | -10.9 | -179.3 | 60.6 | 88.9 | 0 | 0 | 0 | 114.1 | S147 K555 | S147-W557 PolarHBondContact N-O 3.04Å; K555-W557 HydrophobicContact CB-CD2 4.2Å; K555-W557 HydrophobicContact CB-CH2 4.21Å; K555-W557 HydrophobicContact CB-CZ2 3.87Å; K555-W557 HydrophobicContact CD-CH2 4.47Å; K555-W557 HydrophobicContact CD-CZ2 3.72Å; K555-W557 HydrophobicContact CG-CH2 4.04Å; K555-W557 HydrophobicContact CG-CZ2 3.72Å; K555-W557 PolarHBondContact O-N 3.46Å; K555-W557 VanDerWaalsContact O-N 3.12Å |
| 558 | L | 97.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -95.6 | -4.5 | 173.9 | -61.1 | -173.4 | 0 | 0 | 0 | 112.7 | A109 N143 E145 K555 P556 P560 | A109-L558 HydrophobicContact CB-CB 4.11Å; N143-L558 HydrophobicContact CB-CD2 4.33Å; N143-L558 PolarHBondContact ND2-O 3.21Å; E145-L558 WeakPolarHBondContact O-CD2 3.43Å; K555-L558 HydrophobicContact CB-CB 4.21Å; K555-L558 HydrophobicContact CB-CD1 3.89Å; K555-L558 HydrophobicContact CB-CG 3.87Å; K555-L558 HydrophobicContact CD-CD1 3.61Å; K555-L558 HydrophobicContact CD-CG 4.32Å; K555-L558 HydrophobicContact CG-CD1 4.35Å; K555-L558 PolarHBondContact O-N 3.17Å; P556-L558 VanDerWaalsContact C-N 3.26Å; P556-L558 PolarHBondContact O-N 2.92Å; L558-P560 WeakPolarHBondContact O-CD 3.49Å |
| 559 | Q | 96.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.019 | 32% | 0.318 | C | S | . | . | trans | -70 | 112.1 | -169.2 | 177.9 | 63.7 | 60.5 | 0 | 0 | 111.2 | A109 L239 P556 C561 F565 | A109-Q559 HydrophobicContact CB-CB 3.92Å; L239-Q559 HydrophobicContact CD2-CG 4Å; L239-Q559 PolarHBondContact O-NE2 3.48Å; P556-Q559 WeakPolarHBondContact O-CB 3.22Å; P556-Q559 PolarHBondContact O-N 2.95Å; Q559-C561 PolarHBondContact O-N 2.71Å; Q559-F565 HydrophobicContact CB-CE1 4.16Å; Q559-F565 HydrophobicContact CB-CZ 3.92Å; Q559-F565 HydrophobicContact CG-CE1 3.8Å; Q559-F565 HydrophobicContact CG-CZ 3.99Å | ||
| 560 | P | 94.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.039 | 32% | 0.319 | C | S | . | . | trans | -63.4 | 136.5 | 170.6 | 27.5 | -36.6 | 0 | 0 | 0 | 110.3 | N108 L142 I242 F244 I249 Q252 L558 | N108-P560 HydrophobicContact CB-CG 4.02Å; L142-P560 HydrophobicContact CD2-CB 4.22Å; L142-P560 HydrophobicContact CD2-CG 3.8Å; I242-P560 HydrophobicContact CD1-CB 4.07Å; I242-P560 HydrophobicContact CD1-CG 3.45Å; I242-P560 VanDerWaalsContact CD1-CG 3.45Å; F244-P560 HydrophobicContact CZ-CB 4.28Å; I249-P560 HydrophobicContact CD1-CB 3.87Å; Q252-P560 PolarHBondContact NE2-O 2.93Å; L558-P560 WeakPolarHBondContact O-CD 3.49Å | ||
| 561 | C | 93.5 | Very high | 90.5 | Very high | 35 Ų | 35 | 60.4 Ų | 60.4 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | trans | -148.8 | 117.8 | -175.2 | -168.9 | 0 | 0 | 0 | 0 | 108.9 | Q559 S563 C569 | Q559-C561 PolarHBondContact O-N 2.71Å; C561-S563 VanDerWaalsContact C-N 3.31Å; C561-S563 PolarHBondContact O-N 3.49Å; C561-C569 HydrophobicContact CB-CB 3.86Å; C561-C569 WeakPolarHBondContact CB-SG 3.37Å; C561-C569 WeakPolarHBondContact SG-CA 3.37Å; C561-C569 WeakPolarHBondContact SG-CB 3.28Å; C561-C569 CovalentContact SG-SG 2.03Å; C561-C569 PolarHBondContact SG-SG 3.41Å | ||
| 562 | C | 91.4 | Very high | 90 | Very high | 44 Ų | 44 | 65.8 Ų | 65.8 | 30% | 0.297 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -79.8 | -12.5 | -178 | 60.9 | 0 | 0 | 0 | 0 | 114.9 | I249 Q252 C569 Q570 C571 | I249-C562 HydrophobicContact CB-CB 3.76Å; I249-C562 HydrophobicContact CD1-CB 4.08Å; I249-C562 HydrophobicContact CG2-CB 3.64Å; Q252-C562 PolarHBondContact OE1-SG 2.86Å; C562-C569 PolarHBondContact SG-O 3.46Å; C562-Q570 VanDerWaalsContact SG-C 3.56Å; C562-C571 HydrophobicContact CB-CB 3.89Å; C562-C571 WeakPolarHBondContact CB-SG 3.47Å; C562-C571 WeakPolarHBondContact SG-CB 3.47Å; C562-C571 PolarHBondContact SG-N 2.87Å; C562-C571 VanDerWaalsContact SG-N 3.43Å; C562-C571 CovalentContact SG-SG 2.01Å; C562-C571 PolarHBondContact SG-SG 3.13Å |
| 563 | S | 87.4 | Confident | 88.9 | Confident | 37 Ų | 37 | 70.4 Ų | 70.4 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -130 | -131.6 | 175.3 | 60.1 | 0 | 0 | 0 | 0 | 109.7 | C561 C569 Q570 | C561-S563 VanDerWaalsContact C-N 3.31Å; C561-S563 PolarHBondContact O-N 3.49Å; S563-C569 WeakPolarHBondContact OG-CA 3.28Å; S563-Q570 WeakPolarHBondContact CB-O 3.47Å; S563-Q570 PolarHBondContact OG-N 3.21Å; S563-Q570 VanDerWaalsContact OG-N 3.08Å; S563-Q570 PolarHBondContact OG-O 3Å |
| 564 | T | 83.6 | Confident | 86.6 | Confident | 64 Ų | 64 | 72.5 Ų | 72.5 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | trans | -108.4 | 155 | 173.3 | 66.2 | 0 | 0 | 0 | 0 | 111 | T566 Q567 L568 C569 | T564-T566 PolarHBondContact O-N 2.93Å; T564-T566 PolarHBondContact OG1-OG1 2.92Å; T564-Q567 CarbonylContact O-C 3.32Å; T564-Q567 WeakPolarHBondContact O-CA 3.29Å; T564-Q567 PolarHBondContact O-N 3.15Å; T564-Q567 WeakPolarHBondContact OG1-CG 3.45Å; T564-Q567 PolarHBondContact OG1-N 3.33Å; T564-L568 PolarHBondContact O-N 3.21Å; T564-C569 PolarHBondContact O-N 2.92Å; T564-C569 VanDerWaalsContact O-N 3.09Å | ||
| 565 | F | 79.9 | Confident | 84 | Confident | 122 Ų | 122 | 80.5 Ų | 80.5 | 54% | 0.535 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -57.8 | -31.8 | 171 | -77.6 | -77.2 | 0 | 0 | 0 | 112.7 | Q559 Q567 L568 | Q559-F565 HydrophobicContact CB-CE1 4.16Å; Q559-F565 HydrophobicContact CB-CZ 3.92Å; Q559-F565 HydrophobicContact CG-CE1 3.8Å; Q559-F565 HydrophobicContact CG-CZ 3.99Å; F565-Q567 PolarHBondContact O-N 2.96Å; F565-L568 PolarHBondContact O-N 3.37Å; F565-L568 VanDerWaalsContact O-N 3.08Å |
| 566 | T | 79.5 | Confident | 83.3 | Confident | 134 Ų | 134 | 82.7 Ų | 82.7 | 82% | 0.822 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -67.6 | -23.6 | 174.9 | 51.2 | 0 | 0 | 0 | 0 | 113 | T564 L568 | T564-T566 PolarHBondContact O-N 2.93Å; T564-T566 PolarHBondContact OG1-OG1 2.92Å; T566-L568 VanDerWaalsContact C-N 3.35Å |
| 567 | Q | 79.7 | Confident | 82.8 | Confident | 117 Ų | 117 | 83.7 Ų | 83.7 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -96.7 | 15.1 | 172.9 | -67.9 | 174.8 | -23.7 | 0 | 0 | 112.1 | T564 F565 C569 Q570 | T564-Q567 CarbonylContact O-C 3.32Å; T564-Q567 WeakPolarHBondContact O-CA 3.29Å; T564-Q567 PolarHBondContact O-N 3.15Å; T564-Q567 WeakPolarHBondContact OG1-CG 3.45Å; T564-Q567 PolarHBondContact OG1-N 3.33Å; F565-Q567 PolarHBondContact O-N 2.96Å; Q567-C569 PolarHBondContact O-N 3.31Å; Q567-Q570 PolarHBondContact O-N 3.32Å |
| 568 | L | 83.9 | Confident | 82.1 | Confident | 75 Ų | 75 | 79.5 Ų | 79.5 | 39% | 0.393 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 32 | -178.5 | -62.3 | 173 | 0 | 0 | 0 | 113.7 | I235 Y238 T564 F565 T566 Q570 | I235-L568 HydrophobicContact CD1-CD2 3.84Å; I235-L568 HydrophobicContact CG1-CD2 4.31Å; Y238-L568 WeakPolarHBondContact CB-O 3.26Å; Y238-L568 HydrophobicContact CD1-CB 4.39Å; T564-L568 PolarHBondContact O-N 3.21Å; F565-L568 PolarHBondContact O-N 3.37Å; F565-L568 VanDerWaalsContact O-N 3.08Å; T566-L568 VanDerWaalsContact C-N 3.35Å; L568-Q570 HydrophobicContact CB-CG 4.29Å; L568-Q570 PolarHBondContact O-N 3.2Å; L568-Q570 VanDerWaalsContact O-N 3.15Å |
| 569 | C | 86.8 | Confident | 81.2 | Confident | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.007 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 34 | 178.6 | -56.2 | 0 | 0 | 0 | 0 | 113.5 | Q252 C561 C562 S563 T564 Q567 | Q252-C569 WeakPolarHBondContact CB-O 3.44Å; Q252-C569 HydrophobicContact CG-CB 4.49Å; Q252-C569 WeakPolarHBondContact CG-O 3.36Å; Q252-C569 PolarHBondContact OE1-O 3.46Å; Q252-C569 VanDerWaalsContact OE1-O 3.09Å; C561-C569 HydrophobicContact CB-CB 3.86Å; C561-C569 WeakPolarHBondContact CB-SG 3.37Å; C561-C569 WeakPolarHBondContact SG-CA 3.37Å; C561-C569 WeakPolarHBondContact SG-CB 3.28Å; C561-C569 CovalentContact SG-SG 2.03Å; C561-C569 PolarHBondContact SG-SG 3.41Å; C562-C569 PolarHBondContact SG-O 3.46Å; S563-C569 WeakPolarHBondContact OG-CA 3.28Å; T564-C569 PolarHBondContact O-N 2.92Å; T564-C569 VanDerWaalsContact O-N 3.09Å; Q567-C569 PolarHBondContact O-N 3.31Å |
| 570 | Q | 90.8 | Very high | 80.2 | Confident | 92 Ų | 92 | 89.2 Ų | 89.2 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | trans | -85.7 | 137.8 | -178 | -67.4 | 177 | 3.5 | 0 | 0 | 112.3 | Y238 Q252 C562 S563 Q567 L568 | Y238-Q570 HydrophobicContact CD1-CG 3.64Å; Y238-Q570 HydrophobicContact CE1-CG 3.62Å; Q252-Q570 VanDerWaalsContact O-CA 3.28Å; Q252-Q570 WeakPolarHBondContact O-CA 3.4Å; C562-Q570 VanDerWaalsContact SG-C 3.56Å; S563-Q570 WeakPolarHBondContact CB-O 3.47Å; S563-Q570 PolarHBondContact OG-N 3.21Å; S563-Q570 VanDerWaalsContact OG-N 3.08Å; S563-Q570 PolarHBondContact OG-O 3Å; Q567-Q570 PolarHBondContact O-N 3.32Å; L568-Q570 HydrophobicContact CB-CG 4.29Å; L568-Q570 PolarHBondContact O-N 3.2Å; L568-Q570 VanDerWaalsContact O-N 3.15Å | ||
| 571 | C | 90.7 | Very high | 79.3 | Confident | 30 Ų | 30 | 94.7 Ų | 94.7 | 20% | 0.203 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 151.3 | 168.2 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | Q252 C562 | Q252-C571 PolarHBondContact N-O 3.43Å; Q252-C571 PolarHBondContact O-N 3.37Å; C562-C571 HydrophobicContact CB-CB 3.89Å; C562-C571 WeakPolarHBondContact CB-SG 3.47Å; C562-C571 WeakPolarHBondContact SG-CB 3.47Å; C562-C571 PolarHBondContact SG-N 2.87Å; C562-C571 VanDerWaalsContact SG-N 3.43Å; C562-C571 CovalentContact SG-SG 2.01Å; C562-C571 PolarHBondContact SG-SG 3.13Å |
| 572 | Q | 85.4 | Confident | 78.3 | Confident | 140 Ų | 140 | 99 Ų | 99 | 65% | 0.654 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133 | 112.5 | 162.8 | -70.9 | -175.4 | -42.8 | 0 | 0 | 106.8 | E251 | E251-Q572 HydrophobicContact CG-CG 4.18Å |
| 573 | Q | 72.4 | Confident | 77.3 | Confident | 116 Ų | 116 | 103.2 Ų | 103.2 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | trans | -90.2 | 101.3 | 170.2 | -74.5 | -171.1 | -11 | 0 | 0 | 108.8 | V250 K575 | V250-Q573 PolarHBondContact O-N 3.2Å; Q573-K575 PolarHBondContact O-N 2.87Å | ||
| 574 | D | 45.1 | Very low | 76.4 | Confident | 156 Ų | 156 | 108.8 Ų | 108.8 | 83% | 0.834 | 54% | 0.54 | S | S | * | . | trans | -68.7 | 106.7 | 162.1 | -80.2 | -25.2 | 0 | 0 | 0 | 108.5 | ||||
| 575 | K | 39.5 | Very low | 75.8 | Confident | 258 Ų | 258 | 112.8 Ų | 112.8 | 100% | 1.122 | 55% | 0.553 | S | S | * | * | trans | -142.5 | 0 | 159.6 | -74 | -164.3 | 178.8 | 177.1 | 0 | 111.3 | Q573 | Q573-K575 PolarHBondContact O-N 2.87Š|
Retrieved 575 of 575 residues in 1248.5 ms
(Link to these results)