| 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 | 62.9 | Low | 45.7 | Very low | 77 Ų | 77 | 95.7 Ų | 95.7 | 38% | 0.379 | 56% | 0.557 | S | S | . | * | 0 | -59.8 | 0 | -164.8 | 174 | -75.3 | 0 | 0 | 111 | V53 F57 G99 L116 | M1-V53 HydrophobicContact CE-CB 4.48Å; M1-V53 HydrophobicContact CE-CG1 3.97Å; M1-V53 HydrophobicContact CE-CG2 3.64Å; M1-F57 HydrophobicContact SD-CD2 4.21Å; M1-F57 HydrophobicContact SD-CE2 4.09Å; M1-G99 WeakPolarHBondContact CE-O 3.29Å; M1-L116 HydrophobicContact CG-CB 3.92Å; M1-L116 HydrophobicContact CG-CD1 4.35Å; M1-L116 HydrophobicContact SD-CB 4.22Å; M1-L116 HydrophobicContact SD-CD1 3.55Å; M1-L116 VanDerWaalsContact SD-CD1 3.55Å | |||
| 2 | F | 70.5 | Confident | 44.2 | Very low | 20 Ų | 20 | 97.5 Ų | 97.5 | 9% | 0.088 | 58% | 0.579 | C | S | . | * | trans | -100.2 | 17.7 | -174.7 | -58.4 | -65.8 | 0 | 0 | 0 | 115.7 | T4 L5 F57 V69 K81 A82 L116 | F2-T4 PolarHBondContact O-N 3.48Å; F2-L5 HydrophobicContact CB-CD1 3.97Å; F2-L5 HydrophobicContact CB-CG 4.29Å; F2-L5 HydrophobicContact CD1-CD1 3.44Å; F2-L5 VanDerWaalsContact CD1-CD1 3.44Å; F2-L5 HydrophobicContact CD1-CG 4.33Å; F2-L5 HydrophobicContact CE1-CD1 4.32Å; F2-L5 HydrophobicContact CG-CD1 4.11Å; F2-L5 PolarHBondContact O-N 3.07Å; F2-F57 HydrophobicContact CD2-CD1 4.25Å; F2-F57 AromaticContact CD2-CE1 3.68Å; F2-F57 HydrophobicContact CD2-CE1 3.68Å; F2-F57 HydrophobicContact CD2-CE2 4.2Å; F2-F57 AromaticContact CD2-CZ 3.66Å; F2-F57 HydrophobicContact CD2-CZ 3.66Å; F2-F57 AromaticContact CE2-CD1 3.63Å; F2-F57 HydrophobicContact CE2-CD1 3.63Å; F2-F57 AromaticContact CE2-CD2 3.86Å; F2-F57 HydrophobicContact CE2-CD2 3.86Å; F2-F57 AromaticContact CE2-CE1 3.5Å; F2-F57 HydrophobicContact CE2-CE1 3.5Å; F2-F57 AromaticContact CE2-CE2 3.73Å; F2-F57 HydrophobicContact CE2-CE2 3.73Å; F2-F57 AromaticContact CE2-CG 3.82Å; F2-F57 HydrophobicContact CE2-CG 3.82Å; F2-F57 AromaticContact CE2-CZ 3.57Å; F2-F57 HydrophobicContact CE2-CZ 3.57Å; F2-V69 HydrophobicContact CE2-CG1 4.23Å; F2-V69 HydrophobicContact CZ-CG1 3.86Å; F2-K81 HydrophobicContact CD2-CB 3.92Å; F2-K81 HydrophobicContact CD2-CG 4.21Å; F2-K81 HydrophobicContact CE2-CB 4.25Å; F2-K81 HydrophobicContact CG-CB 4.09Å; F2-A82 HydrophobicContact CD1-CB 4.21Å; F2-A82 HydrophobicContact CE1-CB 4.05Å; F2-L116 HydrophobicContact CE1-CB 3.92Å; F2-L116 HydrophobicContact CE1-CD1 4.24Å; F2-L116 HydrophobicContact CE1-CD2 3.98Å; F2-L116 HydrophobicContact CE1-CG 4.27Å; F2-L116 HydrophobicContact CZ-CB 4.42Å; F2-L116 HydrophobicContact CZ-CD1 3.99Å; F2-L116 HydrophobicContact CZ-CD2 4.37Å | ||
| 3 | S | 52.1 | Low | 43.4 | Very low | 117 Ų | 117 | 100.4 Ų | 100.4 | 82% | 0.818 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -13.4 | -166.9 | 55.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 4 | T | 45.2 | Very low | 42.3 | Very low | 100 Ų | 100 | 98.6 Ų | 98.6 | 61% | 0.613 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 3.7 | -179.5 | 47.9 | 0 | 0 | 0 | 0 | 113.5 | F2 S6 | F2-T4 PolarHBondContact O-N 3.48Å; T4-S6 PolarHBondContact O-N 2.93Å |
| 5 | L | 45.6 | Very low | 41.2 | Very low | 38 Ų | 38 | 98.5 Ų | 98.5 | 20% | 0.199 | 62% | 0.624 | C | S | . | * | trans | -73.9 | 82 | 175.4 | -63.2 | -171.1 | 0 | 0 | 0 | 109.6 | F2 N7 K81 A82 N119 | F2-L5 HydrophobicContact CB-CD1 3.97Å; F2-L5 HydrophobicContact CB-CG 4.29Å; F2-L5 HydrophobicContact CD1-CD1 3.44Å; F2-L5 VanDerWaalsContact CD1-CD1 3.44Å; F2-L5 HydrophobicContact CD1-CG 4.33Å; F2-L5 HydrophobicContact CE1-CD1 4.32Å; F2-L5 HydrophobicContact CG-CD1 4.11Å; F2-L5 PolarHBondContact O-N 3.07Å; L5-N7 PolarHBondContact O-N 2.97Å; L5-K81 VanDerWaalsContact CD1-O 3.25Å; L5-K81 WeakPolarHBondContact CD1-O 3.32Å; L5-A82 HydrophobicContact CD1-CB 3.35Å; L5-N119 HydrophobicContact CD2-CB 3.41Å; L5-N119 VanDerWaalsContact CD2-CB 3.41Å; L5-N119 VanDerWaalsContact CD2-ND2 3.33Å; L5-N119 WeakPolarHBondContact CD2-ND2 3.25Å | ||
| 6 | S | 38.6 | Very low | 40.5 | Very low | 99 Ų | 99 | 105.9 Ų | 105.9 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | trans | -57.6 | 126.6 | 169.3 | 64 | 0 | 0 | 0 | 0 | 108.9 | T4 S8 | T4-S6 PolarHBondContact O-N 2.93Å; S6-S8 VanDerWaalsContact C-N 3.31Å; S6-S8 PolarHBondContact O-N 3.03Å | ||
| 7 | N | 38.1 | Very low | 39.8 | Very low | 159 Ų | 159 | 103.6 Ų | 103.6 | 85% | 0.85 | 65% | 0.647 | S | S | * | * | trans | -20.5 | 80.4 | 171.4 | -70.3 | -22.1 | 0 | 0 | 0 | 114.8 | L5 | L5-N7 PolarHBondContact O-N 2.97Š| ||
| 8 | S | 38.2 | Very low | 39.1 | Very low | 80 Ų | 80 | 104.2 Ų | 104.2 | 56% | 0.559 | 66% | 0.655 | S | S | * | * | trans | -105.3 | 115.9 | 172.9 | 52.4 | 0 | 0 | 0 | 0 | 108 | S6 | S6-S8 VanDerWaalsContact C-N 3.31Å; S6-S8 PolarHBondContact O-N 3.03Å | ||
| 9 | A | 39.1 | Very low | 38.6 | Very low | 76 Ų | 76 | 105.4 Ų | 105.4 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | trans | 60.8 | 40.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | R11 | A9-R11 PolarHBondContact O-N 3.44Å; A9-R11 VanDerWaalsContact O-N 3.12Å | ||
| 10 | V | 37.1 | Very low | 38.4 | Very low | 95 Ų | 95 | 106.6 Ų | 106.6 | 58% | 0.576 | 66% | 0.662 | S | S | * | * | trans | -70.5 | 108 | 158.6 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | S12 | V10-S12 PolarHBondContact O-N 2.71Å; V10-S12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | R | 35 | Very low | 38.2 | Very low | 192 Ų | 192 | 106.7 Ų | 106.7 | 73% | 0.725 | 67% | 0.667 | S | S | * | * | trans | -60.4 | 115.8 | 173.4 | -79 | -178.4 | 174.1 | -175.9 | -1.6 | 109.2 | A9 T13 D40 | A9-R11 PolarHBondContact O-N 3.44Å; A9-R11 VanDerWaalsContact O-N 3.12Å; R11-T13 PolarHBondContact O-N 2.83Å; R11-D40 IonicContact NH1-OD2 3.97Å | ||
| 12 | S | 28.2 | Very low | 36.9 | Very low | 117 Ų | 117 | 109.1 Ų | 109.1 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | trans | -74.6 | 104.7 | 165.2 | 64.5 | 0 | 0 | 0 | 0 | 108.8 | V10 | V10-S12 PolarHBondContact O-N 2.71Å; V10-S12 VanDerWaalsContact O-N 3.16Å | ||
| 13 | T | 34.2 | Very low | 35.4 | Very low | 135 Ų | 135 | 114 Ų | 114 | 83% | 0.828 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 125.8 | 162.6 | 47.1 | 0 | 0 | 0 | 0 | 108.4 | R11 | R11-T13 PolarHBondContact O-N 2.83Š|
| 14 | G | 27 | Very low | 35.3 | Very low | 76 Ų | 76 | 112 Ų | 112 | 78% | 0.784 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 145.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 15 | A | 26.3 | Very low | 36 | Very low | 97 Ų | 97 | 110.7 Ų | 110.7 | 80% | 0.802 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 124.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 16 | F | 29.8 | Very low | 37.8 | Very low | 217 Ų | 217 | 111.9 Ų | 111.9 | 95% | 0.952 | 71% | 0.713 | S | S | * | * | trans | -153.8 | 132.6 | 157.2 | -109 | -84 | 0 | 0 | 0 | 109.4 | ||||
| 17 | G | 28.3 | Very low | 40.4 | Very low | 66 Ų | 66 | 108.7 Ų | 108.7 | 68% | 0.68 | 69% | 0.687 | S | S | * | * | trans | 88.3 | 95.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 18 | S | 27.3 | Very low | 43.1 | Very low | 114 Ų | 114 | 102.1 Ų | 102.1 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | trans | -49.2 | 152.9 | 151.1 | 49 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 19 | T | 29.3 | Very low | 45.9 | Very low | 127 Ų | 127 | 100.2 Ų | 100.2 | 78% | 0.779 | 64% | 0.638 | S | S | * | * | trans | 105.9 | 66.7 | 167.2 | -31.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 20 | L | 35.5 | Very low | 48.7 | Very low | 130 Ų | 130 | 98 Ų | 98 | 68% | 0.681 | 62% | 0.615 | S | S | * | * | trans | -140.9 | 68.2 | 167.5 | -74 | 170.6 | 0 | 0 | 0 | 111.1 | L23 | L20-L23 HydrophobicContact CD2-CB 4.2Å; L20-L23 HydrophobicContact CD2-CD1 3.46Å; L20-L23 VanDerWaalsContact CD2-CD1 3.46Å; L20-L23 HydrophobicContact CD2-CG 4.37Å | ||
| 21 | S | 34.1 | Very low | 51.6 | Low | 108 Ų | 108 | 102.5 Ų | 102.5 | 76% | 0.755 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -105.9 | 9.7 | 173.7 | 73.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 22 | T | 36.5 | Very low | 54.6 | Low | 129 Ų | 129 | 94.1 Ų | 94.1 | 79% | 0.791 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -129.8 | -10.1 | 177.8 | 37.8 | 0 | 0 | 0 | 0 | 115 | ||
| 23 | L | 39 | Very low | 57.9 | Low | 122 Ų | 122 | 93.6 Ų | 93.6 | 64% | 0.639 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -89 | -13.5 | 174.9 | -80.1 | 163.1 | 0 | 0 | 0 | 113.6 | L20 A25 | L20-L23 HydrophobicContact CD2-CB 4.2Å; L20-L23 HydrophobicContact CD2-CD1 3.46Å; L20-L23 VanDerWaalsContact CD2-CD1 3.46Å; L20-L23 HydrophobicContact CD2-CG 4.37Å; L23-A25 PolarHBondContact O-N 3.32Å; L23-A25 VanDerWaalsContact O-N 3.08Å |
| 24 | S | 48.3 | Very low | 61 | Low | 76 Ų | 76 | 90.2 Ų | 90.2 | 53% | 0.531 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.1 | -8.6 | -174.6 | 64.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 25 | A | 61.6 | Low | 64.4 | Low | 72 Ų | 72 | 86.6 Ų | 86.6 | 60% | 0.595 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -19.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L23 | L23-A25 PolarHBondContact O-N 3.32Å; L23-A25 VanDerWaalsContact O-N 3.08Å |
| 26 | A | 83.3 | Confident | 67.8 | Low | 62 Ų | 62 | 84.8 Ų | 84.8 | 51% | 0.512 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -80.8 | -35.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q334 | A26-Q334 PolarHBondContact O-NE2 2.77Š|
| 27 | H | 91.4 | Very high | 71 | Confident | 33 Ų | 33 | 79.1 Ų | 79.1 | 15% | 0.153 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -86 | -23.3 | -176.3 | 70.8 | -76 | 0 | 0 | 0 | 113.2 | P29 E34 Y371 F373 | H27-P29 VanDerWaalsContact C-CD 3.44Å; H27-P29 VanDerWaalsContact O-CD 3.29Å; H27-P29 WeakPolarHBondContact O-CD 3.13Å; H27-E34 IonicContact CD2-OE2 2.66Å; H27-E34 IonicContact CE1-OE2 3.55Å; H27-E34 IonicContact NE2-OE2 3.73Å; H27-E34 PolarHBondContact NE2-OE2 2.89Å; H27-Y371 HydrophobicContact CB-CE2 4.11Å; H27-Y371 AromaticContact CD2-CD1 3.77Å; H27-Y371 AromaticContact CD2-CE1 3.29Å; H27-Y371 WeakPolarHBondContact CD2-CE1 3.33Å; H27-Y371 AromaticContact CD2-CZ 3.5Å; H27-Y371 VanDerWaalsContact CD2-CZ 3.5Å; H27-Y371 AromaticContact CG-CZ 3.91Å; H27-Y371 AromaticContact NE2-CE1 3.82Å; H27-F373 AromaticContact CD2-CZ 3.98Å |
| 28 | N | 96.6 | Very high | 74.3 | Confident | 20 Ų | 20 | 76.5 Ų | 76.5 | 11% | 0.107 | 44% | 0.444 | C | S | . | . | trans | -120.5 | 70.9 | -178.9 | -174.9 | 2.6 | 0 | 0 | 0 | 111.1 | N30 K31 D32 F373 | N28-N30 PolarHBondContact O-N 2.81Å; N28-K31 PolarHBondContact O-N 3.02Å; N28-K31 PolarHBondContact OD1-N 3.16Å; N28-D32 PolarHBondContact ND2-O 2.93Å; N28-D32 PolarHBondContact OD1-N 2.71Å; N28-D32 VanDerWaalsContact OD1-N 3.09Å; N28-F373 HydrophobicContact CB-CE1 3.75Å; N28-F373 HydrophobicContact CB-CZ 3.83Å | ||
| 29 | P | 97 | Very high | 77.6 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 26% | 0.26 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -22 | -174.5 | 30 | -37.5 | 0 | 0 | 0 | 113.2 | H27 K31 E331 K332 | H27-P29 VanDerWaalsContact C-CD 3.44Å; H27-P29 VanDerWaalsContact O-CD 3.29Å; H27-P29 WeakPolarHBondContact O-CD 3.13Å; P29-K31 VanDerWaalsContact C-N 3.34Å; P29-E331 HydrophobicContact CB-CB 3.83Å; P29-E331 HydrophobicContact CG-CB 4.15Å; P29-K332 WeakPolarHBondContact CG-O 3.43Å |
| 30 | N | 97.4 | Very high | 80.7 | Confident | 29 Ų | 29 | 70.4 Ų | 70.4 | 16% | 0.155 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.4 | 179.3 | -61.6 | -64.6 | 0 | 0 | 0 | 113.1 | N28 D32 S330 E331 Y351 | N28-N30 PolarHBondContact O-N 2.81Å; N30-D32 WeakPolarHBondContact CB-OD2 3.38Å; N30-D32 PolarHBondContact O-N 2.89Å; N30-S330 WeakPolarHBondContact OD1-CB 3.48Å; N30-E331 PolarHBondContact ND2-O 3.33Å; N30-E331 WeakPolarHBondContact OD1-CB 3.14Å; N30-E331 PolarHBondContact OD1-N 2.98Å; N30-Y351 PolarHBondContact ND2-OH 3.22Å |
| 31 | K | 96.8 | Very high | 83.6 | Confident | 191 Ų | 191 | 65.8 Ų | 65.8 | 83% | 0.83 | 37% | 0.374 | S | S | * | . | trans | 57.3 | 37.4 | -177.5 | -53 | 178.1 | -177.4 | 176.7 | 0 | 112.8 | N28 P29 | N28-K31 PolarHBondContact O-N 3.02Å; N28-K31 PolarHBondContact OD1-N 3.16Å; P29-K31 VanDerWaalsContact C-N 3.34Å | ||
| 32 | D | 98.1 | Very high | 86.6 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 9% | 0.086 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 164.7 | 179.1 | -71.1 | -27.3 | 0 | 0 | 0 | 111.5 | N28 N30 E34 Y351 F373 L374 H375 | N28-D32 PolarHBondContact ND2-O 2.93Å; N28-D32 PolarHBondContact OD1-N 2.71Å; N28-D32 VanDerWaalsContact OD1-N 3.09Å; N30-D32 WeakPolarHBondContact CB-OD2 3.38Å; N30-D32 PolarHBondContact O-N 2.89Å; D32-E34 PolarHBondContact O-N 3.12Å; D32-Y351 VanDerWaalsContact OD2-CE1 3.23Å; D32-Y351 WeakPolarHBondContact OD2-CE1 3.2Å; D32-Y351 VanDerWaalsContact OD2-CZ 3.3Å; D32-Y351 PolarHBondContact OD2-OH 2.67Å; D32-F373 HydrophobicContact CB-CB 4Å; D32-F373 HydrophobicContact CB-CD1 4.48Å; D32-F373 HydrophobicContact CB-CG 4.48Å; D32-L374 WeakPolarHBondContact CB-O 3.47Å; D32-H375 IonicContact OD1-CE1 2.85Å; D32-H375 IonicContact OD1-CG 3.27Å; D32-H375 IonicContact OD1-ND1 2.67Å; D32-H375 PolarHBondContact OD1-ND1 2.61Å; D32-H375 IonicContact OD2-CG 3.65Å; D32-H375 IonicContact OD2-ND1 3.63Å |
| 33 | F | 98.4 | Very high | 89.5 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 46% | 0.461 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 132.7 | 174.7 | -61.3 | -86.7 | 0 | 0 | 0 | 110 | D75 F373 L374 | F33-D75 WeakPolarHBondContact CE1-O 3.43Å; F33-D75 WeakPolarHBondContact CZ-O 3.17Å; F33-F373 CarbonylContact O-C 3.57Å; F33-F373 VanDerWaalsContact O-CA 3.24Å; F33-F373 WeakPolarHBondContact O-CA 3.38Å; F33-L374 HydrophobicContact CB-CB 4.2Å; F33-L374 PolarHBondContact N-O 3.09Å; F33-L374 VanDerWaalsContact N-O 3.08Å; F33-L374 PolarHBondContact O-N 2.93Å |
| 34 | E | 98.2 | Very high | 92.3 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.3 | 178 | -172.3 | 174.1 | 154.2 | 0 | 0 | 110.1 | H27 D32 V36 K369 Y371 F373 | H27-E34 IonicContact CD2-OE2 2.66Å; H27-E34 IonicContact CE1-OE2 3.55Å; H27-E34 IonicContact NE2-OE2 3.73Å; H27-E34 PolarHBondContact NE2-OE2 2.89Å; D32-E34 PolarHBondContact O-N 3.12Å; E34-V36 PolarHBondContact O-N 3.13Å; E34-K369 IonicContact OE1-NZ 3.17Å; E34-K369 PolarHBondContact OE1-NZ 3.03Å; E34-Y371 HydrophobicContact CG-CD1 4.29Å; E34-Y371 VanDerWaalsContact OE1-CD1 3.28Å; E34-Y371 WeakPolarHBondContact OE1-CD1 3.23Å; E34-Y371 WeakPolarHBondContact OE1-CE1 3.34Å; E34-F373 HydrophobicContact CB-CD1 4.14Å; E34-F373 HydrophobicContact CB-CE1 4Å; E34-F373 HydrophobicContact CG-CD1 4.38Å; E34-F373 HydrophobicContact CG-CE1 3.97Å |
| 35 | V | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 128.2 | 172.4 | -179.6 | 0 | 0 | 0 | 0 | 109 | L58 W70 T78 I372 L374 | V35-L58 HydrophobicContact CG2-CD2 4.23Å; V35-W70 HydrophobicContact CG1-CB 4.4Å; V35-W70 HydrophobicContact CG1-CD2 3.63Å; V35-W70 HydrophobicContact CG1-CE3 4.18Å; V35-W70 HydrophobicContact CG1-CG 3.71Å; V35-W70 HydrophobicContact CG1-CZ2 4.26Å; V35-T78 WeakPolarHBondContact CA-OG1 3.41Å; V35-T78 HydrophobicContact CB-CG2 4.44Å; V35-T78 HydrophobicContact CG1-CG2 4.32Å; V35-T78 HydrophobicContact CG2-CG2 4.12Å; V35-I372 HydrophobicContact CB-CB 3.93Å; V35-I372 HydrophobicContact CB-CG2 4.29Å; V35-I372 HydrophobicContact CG2-CB 3.79Å; V35-I372 HydrophobicContact CG2-CG2 3.59Å; V35-I372 WeakPolarHBondContact CG2-O 3.31Å; V35-I372 PolarHBondContact N-O 2.87Å; V35-L374 HydrophobicContact CG2-CD1 4.22Å; V35-L374 HydrophobicContact CG2-CD2 4.05Å; V35-L374 HydrophobicContact CG2-CG 3.94Å |
| 36 | V | 98.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 43 Ų | 43 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -70.1 | 145.6 | -178.3 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | E34 W70 T78 P80 | E34-V36 PolarHBondContact O-N 3.13Å; V36-W70 PolarHBondContact O-NE1 2.86Å; V36-T78 WeakPolarHBondContact CG2-O 3.48Å; V36-T78 PolarHBondContact N-OG1 2.86Å; V36-P80 HydrophobicContact CG2-CG 3.84Å |
| 37 | Q | 97.4 | Very high | 97.3 | Very high | 98 Ų | 98 | 43.1 Ų | 43.1 | 46% | 0.458 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 53 | 55.8 | 178.6 | -54.3 | 178.2 | 35.5 | 0 | 0 | 113.2 | W70 P80 | Q37-W70 WeakPolarHBondContact O-CZ2 3.4Å; Q37-P80 HydrophobicContact CG-CG 4.49Å |
| 38 | P | 96.3 | Very high | 97.6 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 8% | 0.078 | 21% | 0.208 | C | C | . | . | trans | -64.3 | 163.6 | 178.6 | 31.4 | -36.8 | 0 | 0 | 0 | 111.4 | N370 | P38-N370 WeakPolarHBondContact CG-O 3.39Š| ||
| 39 | P | 97.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | trans | -56.9 | 145.5 | 177 | -29.7 | 39.3 | 0 | 0 | 0 | 115 | D41 I43 S62 W70 N370 | P39-D41 VanDerWaalsContact C-N 3.31Å; P39-D41 WeakPolarHBondContact CB-O 3.33Å; P39-I43 HydrophobicContact CB-CD1 4.26Å; P39-I43 HydrophobicContact CB-CG1 3.98Å; P39-I43 HydrophobicContact CG-CD1 4.28Å; P39-I43 HydrophobicContact CG-CG1 3.68Å; P39-S62 WeakPolarHBondContact CB-OG 3.17Å; P39-W70 HydrophobicContact CG-CH2 4.34Å; P39-N370 WeakPolarHBondContact O-CB 2.97Å; P39-N370 PolarHBondContact O-ND2 2.93Å | ||
| 40 | D | 93.3 | Very high | 97.8 | Very high | 111 Ų | 111 | 40.7 Ų | 40.7 | 59% | 0.594 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -79.3 | -15.9 | -179.3 | -70 | -35.4 | 0 | 0 | 0 | 112.7 | R11 N370 | R11-D40 IonicContact NH1-OD2 3.97Å; D40-N370 PolarHBondContact O-ND2 3.46Å; D40-N370 VanDerWaalsContact O-ND2 3.14Å |
| 41 | D | 96.3 | Very high | 97.7 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -127.5 | 171.5 | 172.4 | -155.8 | -25.2 | 0 | 0 | 0 | 110.2 | P39 I43 W63 D64 Y364 N370 | P39-D41 VanDerWaalsContact C-N 3.31Å; P39-D41 WeakPolarHBondContact CB-O 3.33Å; D41-I43 PolarHBondContact O-N 3.35Å; D41-W63 HydrophobicContact CB-CB 4Å; D41-D64 HydrophobicContact CB-CB 3.87Å; D41-Y364 PolarHBondContact OD1-OH 3.45Å; D41-N370 VanDerWaalsContact CA-ND2 3.34Å; D41-N370 WeakPolarHBondContact CA-ND2 3.46Å; D41-N370 PolarHBondContact N-ND2 2.9Å; D41-N370 PolarHBondContact O-ND2 3.37Å |
| 42 | S | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -40.3 | 130.8 | -179.8 | -52.3 | 0 | 0 | 0 | 0 | 112.8 | S62 W63 Y355 W357 | S42-S62 CarbonylContact O-C 3.53Å; S42-S62 VanDerWaalsContact O-CA 3.22Å; S42-S62 WeakPolarHBondContact O-CA 3.49Å; S42-S62 VanDerWaalsContact O-CB 3.31Å; S42-S62 WeakPolarHBondContact O-CB 3.5Å; S42-W63 VanDerWaalsContact O-CD1 3.32Å; S42-W63 PolarHBondContact O-N 2.96Å; S42-Y355 WeakPolarHBondContact CB-O 3.47Å; S42-Y355 PolarHBondContact OG-O 2.81Å; S42-W357 VanDerWaalsContact CB-NE1 3.28Å; S42-W357 PolarHBondContact OG-NE1 3Å | ||
| 43 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.9 | 177.2 | -60.3 | 91.9 | 0 | 0 | 0 | 108.5 | P39 D41 A45 T338 S354 N370 I372 | P39-I43 HydrophobicContact CB-CD1 4.26Å; P39-I43 HydrophobicContact CB-CG1 3.98Å; P39-I43 HydrophobicContact CG-CD1 4.28Å; P39-I43 HydrophobicContact CG-CG1 3.68Å; D41-I43 PolarHBondContact O-N 3.35Å; I43-A45 WeakPolarHBondContact CG2-O 3.3Å; I43-T338 WeakPolarHBondContact O-CB 3.32Å; I43-T338 PolarHBondContact O-OG1 2.67Å; I43-S354 PolarHBondContact N-OG 2.74Å; I43-S354 VanDerWaalsContact N-OG 3.07Å; I43-N370 HydrophobicContact CD1-CB 3.57Å; I43-I372 HydrophobicContact CG1-CD1 4.46Å; I43-I372 HydrophobicContact CG1-CG1 4.42Å |
| 44 | Q | 97.8 | Very high | 97.7 | Very high | 26 Ų | 26 | 36.9 Ų | 36.9 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | -6.9 | -174 | -167.8 | 67.7 | 8.1 | 0 | 0 | 112.9 | G61 V90 L91 R339 | Q44-G61 PolarHBondContact N-O 2.94Å; Q44-V90 WeakPolarHBondContact CB-O 3.4Å; Q44-L91 HydrophobicContact CG-CD2 4.19Å; Q44-R339 PolarHBondContact O-NE 3.12Å; Q44-R339 PolarHBondContact O-NH2 2.63Å |
| 45 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 139.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I43 S60 G61 L93 | I43-A45 WeakPolarHBondContact CG2-O 3.3Å; A45-S60 CarbonylContact O-C 3.53Å; A45-S60 WeakPolarHBondContact O-CA 3.34Å; A45-G61 PolarHBondContact N-O 3Å; A45-G61 PolarHBondContact O-N 2.92Å; A45-L93 HydrophobicContact CB-CB 3.98Å; A45-L93 HydrophobicContact CB-CD1 4.09Å; A45-L93 HydrophobicContact CB-CG 3.67Å |
| 46 | L | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 116.1 | 178.4 | -169 | 67.8 | 0 | 0 | 0 | 109.3 | L58 A59 R339 A350 I372 | L46-L58 HydrophobicContact CD1-CD1 3.71Å; L46-L58 HydrophobicContact CD1-CD2 4.06Å; L46-L58 HydrophobicContact CD1-CG 3.9Å; L46-L58 HydrophobicContact CG-CD1 3.93Å; L46-A59 CarbonylContact C-O 3.56Å; L46-A59 WeakPolarHBondContact CA-O 3.46Å; L46-R339 HydrophobicContact CB-CB 3.72Å; L46-A350 HydrophobicContact CD2-CB 4Å; L46-I372 HydrophobicContact CD1-CD1 4Å; L46-I372 HydrophobicContact CD1-CG2 4.14Å; L46-I372 HydrophobicContact CD2-CG2 4.24Å |
| 47 | K | 98.9 | Very high | 97.6 | Very high | 65 Ų | 65 | 36.5 Ų | 36.5 | 28% | 0.283 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 128.8 | -175 | -57.7 | -70.3 | 179.5 | 177.9 | 0 | 111.6 | A59 E92 L93 W95 | K47-A59 PolarHBondContact N-O 3.16Å; K47-A59 PolarHBondContact O-N 2.88Å; K47-E92 WeakPolarHBondContact CE-OE1 3.39Å; K47-E92 IonicContact NZ-OE1 3.63Å; K47-E92 PolarHBondContact NZ-OE1 2.86Å; K47-L93 HydrophobicContact CG-CB 4.36Å; K47-W95 PolarHBondContact O-NE1 2.94Å |
| 48 | F | 98.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 31.8 Ų | 31.8 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 153.1 | 166 | -82.7 | -76.1 | 0 | 0 | 0 | 112 | N56 F57 L58 V72 W95 C341 F342 N343 I348 A350 L374 | F48-N56 HydrophobicContact CD1-CB 4.35Å; F48-N56 HydrophobicContact CE1-CB 4.28Å; F48-F57 CarbonylContact C-O 3.58Å; F48-F57 VanDerWaalsContact CA-O 3.28Å; F48-F57 WeakPolarHBondContact CA-O 3.25Å; F48-L58 HydrophobicContact CD1-CB 4.18Å; F48-L58 HydrophobicContact CD1-CD1 4.16Å; F48-L58 HydrophobicContact CD2-CD1 4Å; F48-L58 HydrophobicContact CE1-CB 3.97Å; F48-L58 HydrophobicContact CE1-CD1 4.17Å; F48-L58 HydrophobicContact CE2-CD1 4.05Å; F48-L58 HydrophobicContact CG-CD1 4.08Å; F48-L58 HydrophobicContact CZ-CD1 4.12Å; F48-L58 HydrophobicContact CZ-CD2 4.5Å; F48-V72 HydrophobicContact CE1-CB 4.29Å; F48-V72 HydrophobicContact CE1-CG2 3.86Å; F48-V72 HydrophobicContact CZ-CG2 4.42Å; F48-W95 PolarHBondContact O-NE1 3.28Å; F48-C341 WeakPolarHBondContact CD2-SG 3.38Å; F48-F342 WeakPolarHBondContact CD2-O 3.24Å; F48-N343 HydrophobicContact CB-CB 4.5Å; F48-N343 HydrophobicContact CD1-CB 3.93Å; F48-N343 HydrophobicContact CD2-CB 3.93Å; F48-N343 HydrophobicContact CE1-CB 4.04Å; F48-N343 HydrophobicContact CE2-CB 4.01Å; F48-N343 HydrophobicContact CG-CB 3.87Å; F48-N343 HydrophobicContact CZ-CB 4.07Å; F48-I348 HydrophobicContact CE2-CG2 4.37Å; F48-I348 HydrophobicContact CZ-CB 4.38Å; F48-I348 HydrophobicContact CZ-CG2 3.87Å; F48-A350 HydrophobicContact CD2-CB 4.43Å; F48-A350 HydrophobicContact CE2-CB 3.51Å; F48-A350 HydrophobicContact CZ-CB 3.96Å; F48-L374 HydrophobicContact CZ-CD2 4.24Å |
| 49 | S | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 151.6 | 172 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | Q55 F57 | S49-Q55 PolarHBondContact OG-O 2.91Å; S49-F57 PolarHBondContact N-O 2.89Å; S49-F57 PolarHBondContact OG-N 3.34Å; S49-F57 PolarHBondContact OG-O 2.94Å |
| 50 | P | 98.3 | Very high | 97.8 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 167.5 | -177.8 | 32.7 | -39.6 | 0 | 0 | 0 | 113 | A52 V53 S96 D97 | P50-A52 PolarHBondContact O-N 2.87Å; P50-A52 VanDerWaalsContact O-N 3.13Å; P50-V53 HydrophobicContact CG-CG2 4.25Å; P50-V53 PolarHBondContact O-N 2.97Å; P50-S96 WeakPolarHBondContact CG-O 3.21Å; P50-D97 WeakPolarHBondContact CG-O 3.42Å |
| 51 | P | 96.7 | Very high | 98.1 | Very high | 102 Ų | 102 | 25.9 Ų | 25.9 | 66% | 0.662 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.1 | 177.2 | -26 | 34.9 | 0 | 0 | 0 | 116.3 | V53 K344 | P51-V53 PolarHBondContact O-N 3.22Å; P51-K344 HydrophobicContact CB-CB 4.48Å; P51-K344 HydrophobicContact CB-CD 4.37Å; P51-K344 HydrophobicContact CG-CB 4.07Å |
| 52 | A | 97.5 | Very high | 98.2 | Very high | 70 Ų | 70 | 24.3 Ų | 24.3 | 58% | 0.579 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P50 D97 | P50-A52 PolarHBondContact O-N 2.87Å; P50-A52 VanDerWaalsContact O-N 3.13Å; A52-D97 VanDerWaalsContact CB-O 3.29Å; A52-D97 WeakPolarHBondContact CB-O 2.98Å |
| 53 | V | 97.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 5% | 0.048 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -98 | 122.3 | 178.1 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | M1 P50 P51 F57 K344 | M1-V53 HydrophobicContact CE-CB 4.48Å; M1-V53 HydrophobicContact CE-CG1 3.97Å; M1-V53 HydrophobicContact CE-CG2 3.64Å; P50-V53 HydrophobicContact CG-CG2 4.25Å; P50-V53 PolarHBondContact O-N 2.97Å; P51-V53 PolarHBondContact O-N 3.22Å; V53-F57 HydrophobicContact CG1-CD2 3.71Å; V53-F57 HydrophobicContact CG1-CE2 3.61Å; V53-K344 WeakPolarHBondContact O-CE 3.33Å; V53-K344 PolarHBondContact O-NZ 2.89Å |
| 54 | A | 96.3 | Very high | 98.1 | Very high | 81 Ų | 81 | 29 Ų | 29 | 67% | 0.669 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -63.4 | -43.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K344 | A54-K344 PolarHBondContact O-NZ 3.17Š|
| 55 | Q | 97.3 | Very high | 98.2 | Very high | 85 Ų | 85 | 29.6 Ų | 29.6 | 40% | 0.397 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -71.3 | 160.8 | 175.3 | -64.5 | 72.7 | 56.5 | 0 | 0 | 111.4 | S49 F57 E71 K344 | S49-Q55 PolarHBondContact OG-O 2.91Å; Q55-F57 HydrophobicContact CB-CD2 4.3Å; Q55-F57 HydrophobicContact CB-CE1 4.22Å; Q55-F57 HydrophobicContact CB-CE2 3.72Å; Q55-F57 HydrophobicContact CB-CZ 3.66Å; Q55-F57 HydrophobicContact CG-CE2 4.44Å; Q55-F57 HydrophobicContact CG-CZ 4.07Å; Q55-E71 WeakPolarHBondContact CG-OE1 3.33Å; Q55-K344 PolarHBondContact O-NZ 3.06Å |
| 56 | N | 98.2 | Very high | 98.1 | Very high | 25 Ų | 25 | 29.7 Ų | 29.7 | 13% | 0.134 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 105.3 | 167.4 | -70.1 | -34.6 | 0 | 0 | 0 | 108.1 | F48 V72 N343 K344 | F48-N56 HydrophobicContact CD1-CB 4.35Å; F48-N56 HydrophobicContact CE1-CB 4.28Å; N56-V72 HydrophobicContact CB-CB 4.15Å; N56-V72 PolarHBondContact O-N 3Å; N56-N343 PolarHBondContact ND2-ND2 3.19Å; N56-K344 PolarHBondContact OD1-NZ 2.06Å |
| 57 | F | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.022 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 133.2 | 167.9 | -60.9 | -64.4 | 0 | 0 | 0 | 109.7 | M1 F2 F48 S49 V53 Q55 V69 W70 E71 K81 W95 | M1-F57 HydrophobicContact SD-CD2 4.21Å; M1-F57 HydrophobicContact SD-CE2 4.09Å; F2-F57 HydrophobicContact CD2-CD1 4.25Å; F2-F57 AromaticContact CD2-CE1 3.68Å; F2-F57 HydrophobicContact CD2-CE1 3.68Å; F2-F57 HydrophobicContact CD2-CE2 4.2Å; F2-F57 AromaticContact CD2-CZ 3.66Å; F2-F57 HydrophobicContact CD2-CZ 3.66Å; F2-F57 AromaticContact CE2-CD1 3.63Å; F2-F57 HydrophobicContact CE2-CD1 3.63Å; F2-F57 AromaticContact CE2-CD2 3.86Å; F2-F57 HydrophobicContact CE2-CD2 3.86Å; F2-F57 AromaticContact CE2-CE1 3.5Å; F2-F57 HydrophobicContact CE2-CE1 3.5Å; F2-F57 AromaticContact CE2-CE2 3.73Å; F2-F57 HydrophobicContact CE2-CE2 3.73Å; F2-F57 AromaticContact CE2-CG 3.82Å; F2-F57 HydrophobicContact CE2-CG 3.82Å; F2-F57 AromaticContact CE2-CZ 3.57Å; F2-F57 HydrophobicContact CE2-CZ 3.57Å; F48-F57 CarbonylContact C-O 3.58Å; F48-F57 VanDerWaalsContact CA-O 3.28Å; F48-F57 WeakPolarHBondContact CA-O 3.25Å; S49-F57 PolarHBondContact N-O 2.89Å; S49-F57 PolarHBondContact OG-N 3.34Å; S49-F57 PolarHBondContact OG-O 2.94Å; V53-F57 HydrophobicContact CG1-CD2 3.71Å; V53-F57 HydrophobicContact CG1-CE2 3.61Å; Q55-F57 HydrophobicContact CB-CD2 4.3Å; Q55-F57 HydrophobicContact CB-CE1 4.22Å; Q55-F57 HydrophobicContact CB-CE2 3.72Å; Q55-F57 HydrophobicContact CB-CZ 3.66Å; Q55-F57 HydrophobicContact CG-CE2 4.44Å; Q55-F57 HydrophobicContact CG-CZ 4.07Å; F57-V69 HydrophobicContact CB-CG1 3.89Å; F57-V69 HydrophobicContact CD1-CG1 4.33Å; F57-V69 HydrophobicContact CG-CG1 4.35Å; F57-W70 CarbonylContact C-O 3.53Å; F57-W70 VanDerWaalsContact CA-O 3.24Å; F57-W70 WeakPolarHBondContact CA-O 3.45Å; F57-E71 HydrophobicContact CD1-CB 3.88Å; F57-E71 HydrophobicContact CD1-CG 4.16Å; F57-E71 HydrophobicContact CE1-CB 3.72Å; F57-E71 HydrophobicContact CE1-CG 3.76Å; F57-K81 HydrophobicContact CD1-CG 4.28Å; F57-K81 HydrophobicContact CE1-CG 4.06Å; F57-W95 HydrophobicContact CB-CH2 3.89Å; F57-W95 HydrophobicContact CB-CZ2 4.18Å |
| 58 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.5 | 173.8 | -177.7 | 60.1 | 0 | 0 | 0 | 108.2 | V35 L46 F48 V69 W70 V72 A350 I372 L374 | V35-L58 HydrophobicContact CG2-CD2 4.23Å; L46-L58 HydrophobicContact CD1-CD1 3.71Å; L46-L58 HydrophobicContact CD1-CD2 4.06Å; L46-L58 HydrophobicContact CD1-CG 3.9Å; L46-L58 HydrophobicContact CG-CD1 3.93Å; F48-L58 HydrophobicContact CD1-CB 4.18Å; F48-L58 HydrophobicContact CD1-CD1 4.16Å; F48-L58 HydrophobicContact CD2-CD1 4Å; F48-L58 HydrophobicContact CE1-CB 3.97Å; F48-L58 HydrophobicContact CE1-CD1 4.17Å; F48-L58 HydrophobicContact CE2-CD1 4.05Å; F48-L58 HydrophobicContact CG-CD1 4.08Å; F48-L58 HydrophobicContact CZ-CD1 4.12Å; F48-L58 HydrophobicContact CZ-CD2 4.5Å; L58-V69 WeakPolarHBondContact O-CA 3.47Å; L58-W70 PolarHBondContact N-O 2.82Å; L58-W70 PolarHBondContact O-N 2.87Å; L58-V72 HydrophobicContact CB-CG2 3.96Å; L58-A350 HydrophobicContact CD1-CB 4.12Å; L58-A350 HydrophobicContact CD2-CB 4.01Å; L58-I372 HydrophobicContact CD2-CG2 4.01Å; L58-L374 HydrophobicContact CD2-CD2 3.94Å |
| 59 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 137.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L46 K47 R68 V69 L93 W95 I102 | L46-A59 CarbonylContact C-O 3.56Å; L46-A59 WeakPolarHBondContact CA-O 3.46Å; K47-A59 PolarHBondContact N-O 3.16Å; K47-A59 PolarHBondContact O-N 2.88Å; A59-R68 CarbonylContact C-O 3.56Å; A59-R68 VanDerWaalsContact CA-O 3.24Å; A59-R68 WeakPolarHBondContact CA-O 3.21Å; A59-V69 HydrophobicContact CB-CG2 4.17Å; A59-L93 HydrophobicContact CB-CD1 4.05Å; A59-W95 HydrophobicContact CB-CZ2 3.73Å; A59-I102 HydrophobicContact CB-CD1 3.84Å |
| 60 | S | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.8 | 170.6 | 74.7 | 0 | 0 | 0 | 0 | 112.1 | A45 I67 R68 W70 | A45-S60 CarbonylContact O-C 3.53Å; A45-S60 WeakPolarHBondContact O-CA 3.34Å; S60-I67 CarbonylContact O-C 3.58Å; S60-I67 VanDerWaalsContact O-CA 3.3Å; S60-I67 WeakPolarHBondContact O-CA 3.49Å; S60-R68 PolarHBondContact N-O 2.85Å; S60-R68 PolarHBondContact O-N 2.96Å; S60-W70 WeakPolarHBondContact OG-CH2 3.29Å; S60-W70 WeakPolarHBondContact OG-CZ3 3.45Å |
| 61 | G | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q44 A45 | Q44-G61 PolarHBondContact N-O 2.94Å; A45-G61 PolarHBondContact N-O 3Å; A45-G61 PolarHBondContact O-N 2.92Å |
| 62 | S | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 167.8 | -172.7 | 38 | 0 | 0 | 0 | 0 | 113.7 | P39 S42 D64 N65 V66 R68 V90 | P39-S62 WeakPolarHBondContact CB-OG 3.17Å; S42-S62 CarbonylContact O-C 3.53Å; S42-S62 VanDerWaalsContact O-CA 3.22Å; S42-S62 WeakPolarHBondContact O-CA 3.49Å; S42-S62 VanDerWaalsContact O-CB 3.31Å; S42-S62 WeakPolarHBondContact O-CB 3.5Å; S62-D64 VanDerWaalsContact CB-OD1 3.29Å; S62-D64 WeakPolarHBondContact CB-OD1 3.5Å; S62-D64 PolarHBondContact O-N 3.32Å; S62-D64 PolarHBondContact OG-OD1 2.96Å; S62-N65 PolarHBondContact O-N 2.83Å; S62-V66 PolarHBondContact N-O 2.76Å; S62-V66 PolarHBondContact OG-O 2.8Å; S62-R68 PolarHBondContact OG-NH1 2.84Å; S62-V90 PolarHBondContact O-N 3.09Å; S62-V90 VanDerWaalsContact O-N 3.15Å |
| 63 | W | 97.2 | Very high | 98.2 | Very high | 71 Ų | 71 | 23.8 Ų | 23.8 | 27% | 0.269 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -9.1 | 177.8 | -77.3 | 74.3 | 0 | 0 | 0 | 113.9 | D41 S42 N65 P89 L91 W357 | D41-W63 HydrophobicContact CB-CB 4Å; S42-W63 VanDerWaalsContact O-CD1 3.32Å; S42-W63 PolarHBondContact O-N 2.96Å; W63-N65 PolarHBondContact O-N 3.01Å; W63-N65 PolarHBondContact O-OD1 3.14Å; W63-P89 HydrophobicContact CD2-CB 3.87Å; W63-P89 HydrophobicContact CD2-CG 4.1Å; W63-P89 HydrophobicContact CE3-CB 3.8Å; W63-P89 HydrophobicContact CE3-CG 3.53Å; W63-P89 HydrophobicContact CG-CB 4.18Å; W63-P89 HydrophobicContact CZ3-CB 4.33Å; W63-P89 HydrophobicContact CZ3-CG 4Å; W63-L91 HydrophobicContact CZ2-CD2 4.33Å; W63-W357 AromaticContact CD1-NE1 3.81Å; W63-W357 AromaticContact CD2-CE2 3.93Å; W63-W357 HydrophobicContact CD2-CZ2 4.12Å; W63-W357 AromaticContact CD2-NE1 3.74Å; W63-W357 AromaticContact CE2-CD1 3.82Å; W63-W357 AromaticContact CE2-NE1 3.56Å; W63-W357 HydrophobicContact CE3-CZ2 4.05Å; W63-W357 HydrophobicContact CG-CZ2 4.43Å; W63-W357 AromaticContact CG-NE1 3.89Å; W63-W357 HydrophobicContact CZ2-CD2 4.45Å; W63-W357 HydrophobicContact CZ2-CG 4.24Å; W63-W357 AromaticContact NE1-CD1 3.79Å; W63-W357 AromaticContact NE1-NE1 3.56Å |
| 64 | D | 97.3 | Very high | 98 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 14% | 0.139 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 6.4 | 170.2 | 68 | -2.5 | 0 | 0 | 0 | 113.3 | D41 S62 V66 R68 R85 | D41-D64 HydrophobicContact CB-CB 3.87Å; S62-D64 VanDerWaalsContact CB-OD1 3.29Å; S62-D64 WeakPolarHBondContact CB-OD1 3.5Å; S62-D64 PolarHBondContact O-N 3.32Å; S62-D64 PolarHBondContact OG-OD1 2.96Å; D64-V66 VanDerWaalsContact C-N 3.31Å; D64-V66 PolarHBondContact O-N 2.92Å; D64-V66 WeakPolarHBondContact OD1-CB 3.46Å; D64-V66 PolarHBondContact OD1-N 2.76Å; D64-R68 IonicContact OD1-NH1 3.35Å; D64-R68 PolarHBondContact OD1-NH1 2.93Å; D64-R68 IonicContact OD2-CZ 2.86Å; D64-R68 IonicContact OD2-NH1 3.33Å; D64-R68 PolarHBondContact OD2-NH1 2.92Å; D64-R68 IonicContact OD2-NH2 2.77Å; D64-R68 PolarHBondContact OD2-NH2 2.91Å; D64-R85 PolarHBondContact O-NH1 3.12Å |
| 65 | N | 98.2 | Very high | 97.9 | Very high | 40 Ų | 40 | 34.2 Ų | 34.2 | 21% | 0.214 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 66.6 | 26.6 | 179.5 | -44.9 | -27.8 | 0 | 0 | 0 | 113.7 | S62 W63 R85 V86 G88 P89 | S62-N65 PolarHBondContact O-N 2.83Å; W63-N65 PolarHBondContact O-N 3.01Å; W63-N65 PolarHBondContact O-OD1 3.14Å; N65-R85 WeakPolarHBondContact O-CA 3.21Å; N65-V86 HydrophobicContact CB-CG2 4.22Å; N65-V86 WeakPolarHBondContact CB-O 3.32Å; N65-V86 VanDerWaalsContact O-CG2 3.29Å; N65-V86 WeakPolarHBondContact O-CG2 3.2Å; N65-V86 PolarHBondContact O-N 3.26Å; N65-G88 WeakPolarHBondContact OD1-CA 3.16Å; N65-G88 PolarHBondContact OD1-O 3.12Å; N65-P89 WeakPolarHBondContact OD1-CA 3.4Å; N65-P89 WeakPolarHBondContact OD1-CD 3.23Å |
| 66 | V | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.1 | -179.7 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | S62 D64 R68 E83 Q84 | S62-V66 PolarHBondContact N-O 2.76Å; S62-V66 PolarHBondContact OG-O 2.8Å; D64-V66 VanDerWaalsContact C-N 3.31Å; D64-V66 PolarHBondContact O-N 2.92Å; D64-V66 WeakPolarHBondContact OD1-CB 3.46Å; D64-V66 PolarHBondContact OD1-N 2.76Å; V66-R68 HydrophobicContact CG1-CG 3.79Å; V66-E83 HydrophobicContact CG1-CB 4Å; V66-Q84 WeakPolarHBondContact CA-O 3.44Å |
| 67 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.3 | 166 | -52.8 | 168.2 | 0 | 0 | 0 | 106.6 | S60 E83 Q84 V86 V90 L93 I102 A104 W114 M121 | S60-I67 CarbonylContact O-C 3.58Å; S60-I67 VanDerWaalsContact O-CA 3.3Å; S60-I67 WeakPolarHBondContact O-CA 3.49Å; I67-E83 CarbonylContact O-C 3.6Å; I67-E83 WeakPolarHBondContact O-CA 3.48Å; I67-E83 WeakPolarHBondContact O-CB 3.22Å; I67-Q84 PolarHBondContact N-O 3.42Å; I67-Q84 PolarHBondContact O-N 3.36Å; I67-V86 HydrophobicContact CD1-CG1 4.16Å; I67-V90 HydrophobicContact CG1-CG1 4.39Å; I67-V90 HydrophobicContact CG1-CG2 3.8Å; I67-L93 HydrophobicContact CD1-CD2 4.1Å; I67-L93 HydrophobicContact CG1-CD2 4.18Å; I67-L93 HydrophobicContact CG2-CD1 4.02Å; I67-L93 HydrophobicContact CG2-CD2 4.08Å; I67-I102 HydrophobicContact CG2-CG2 4.37Å; I67-A104 HydrophobicContact CD1-CB 3.57Å; I67-W114 HydrophobicContact CB-CE3 4.44Å; I67-W114 HydrophobicContact CB-CZ3 4.23Å; I67-W114 HydrophobicContact CG2-CE3 3.99Å; I67-W114 HydrophobicContact CG2-CZ3 3.76Å; I67-M121 HydrophobicContact CD1-CE 3.87Å |
| 68 | R | 98.6 | Very high | 97.6 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 9% | 0.094 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 146.2 | -179.6 | -64.8 | -176.5 | 178.9 | 81 | -4.7 | 110.5 | A59 S60 S62 D64 V66 W70 E83 | A59-R68 CarbonylContact C-O 3.56Å; A59-R68 VanDerWaalsContact CA-O 3.24Å; A59-R68 WeakPolarHBondContact CA-O 3.21Å; S60-R68 PolarHBondContact N-O 2.85Å; S60-R68 PolarHBondContact O-N 2.96Å; S62-R68 PolarHBondContact OG-NH1 2.84Å; D64-R68 IonicContact OD1-NH1 3.35Å; D64-R68 PolarHBondContact OD1-NH1 2.93Å; D64-R68 IonicContact OD2-CZ 2.86Å; D64-R68 IonicContact OD2-NH1 3.33Å; D64-R68 PolarHBondContact OD2-NH1 2.92Å; D64-R68 IonicContact OD2-NH2 2.77Å; D64-R68 PolarHBondContact OD2-NH2 2.91Å; V66-R68 HydrophobicContact CG1-CG 3.79Å; R68-W70 HydrophobicContact CB-CE3 4.35Å; R68-W70 HydrophobicContact CB-CH2 3.29Å; R68-W70 HydrophobicContact CB-CZ2 3.66Å; R68-W70 HydrophobicContact CB-CZ3 3.67Å; R68-W70 HydrophobicContact CG-CH2 4.15Å; R68-W70 HydrophobicContact CG-CZ2 4.29Å; R68-E83 HydrophobicContact CG-CB 4.14Å; R68-E83 IonicContact NE-OE2 3.92Å |
| 69 | V | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 128.3 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 110 | F2 F57 L58 A59 K81 A82 I102 W114 | F2-V69 HydrophobicContact CE2-CG1 4.23Å; F2-V69 HydrophobicContact CZ-CG1 3.86Å; F57-V69 HydrophobicContact CB-CG1 3.89Å; F57-V69 HydrophobicContact CD1-CG1 4.33Å; F57-V69 HydrophobicContact CG-CG1 4.35Å; L58-V69 WeakPolarHBondContact O-CA 3.47Å; A59-V69 HydrophobicContact CB-CG2 4.17Å; V69-K81 PolarHBondContact O-N 2.99Å; V69-A82 HydrophobicContact CB-CB 4.47Å; V69-A82 PolarHBondContact N-O 3.29Å; V69-A82 PolarHBondContact O-N 3.04Å; V69-I102 HydrophobicContact CG2-CD1 3.57Å; V69-W114 HydrophobicContact CG2-CH2 3.84Å; V69-W114 HydrophobicContact CG2-CZ3 3.63Å |
| 70 | W | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 147.3 | 171.3 | -56.6 | -98.7 | 0 | 0 | 0 | 110.5 | V35 V36 Q37 P39 F57 L58 S60 R68 E79 I372 | V35-W70 HydrophobicContact CG1-CB 4.4Å; V35-W70 HydrophobicContact CG1-CD2 3.63Å; V35-W70 HydrophobicContact CG1-CE3 4.18Å; V35-W70 HydrophobicContact CG1-CG 3.71Å; V35-W70 HydrophobicContact CG1-CZ2 4.26Å; V36-W70 PolarHBondContact O-NE1 2.86Å; Q37-W70 WeakPolarHBondContact O-CZ2 3.4Å; P39-W70 HydrophobicContact CG-CH2 4.34Å; F57-W70 CarbonylContact C-O 3.53Å; F57-W70 VanDerWaalsContact CA-O 3.24Å; F57-W70 WeakPolarHBondContact CA-O 3.45Å; L58-W70 PolarHBondContact N-O 2.82Å; L58-W70 PolarHBondContact O-N 2.87Å; S60-W70 WeakPolarHBondContact OG-CH2 3.29Å; S60-W70 WeakPolarHBondContact OG-CZ3 3.45Å; R68-W70 HydrophobicContact CB-CE3 4.35Å; R68-W70 HydrophobicContact CB-CH2 3.29Å; R68-W70 HydrophobicContact CB-CZ2 3.66Å; R68-W70 HydrophobicContact CB-CZ3 3.67Å; R68-W70 HydrophobicContact CG-CH2 4.15Å; R68-W70 HydrophobicContact CG-CZ2 4.29Å; W70-E79 CarbonylContact C-O 3.57Å; W70-E79 VanDerWaalsContact CA-O 3.24Å; W70-E79 WeakPolarHBondContact CA-O 3.48Å; W70-I372 HydrophobicContact CH2-CD1 3.94Å; W70-I372 HydrophobicContact CZ3-CD1 4.04Å |
| 71 | E | 98.7 | Very high | 97.5 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 20% | 0.201 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.6 | 160.6 | -170 | 169.4 | 178.5 | 0 | 0 | 108.9 | Q55 F57 T78 E79 K81 | Q55-E71 WeakPolarHBondContact CG-OE1 3.33Å; F57-E71 HydrophobicContact CD1-CB 3.88Å; F57-E71 HydrophobicContact CD1-CG 4.16Å; F57-E71 HydrophobicContact CE1-CB 3.72Å; F57-E71 HydrophobicContact CE1-CG 3.76Å; E71-T78 VanDerWaalsContact O-CA 3.27Å; E71-T78 WeakPolarHBondContact O-CA 3.19Å; E71-E79 PolarHBondContact N-O 3.28Å; E71-E79 PolarHBondContact O-N 3.23Å; E71-K81 HydrophobicContact CB-CD 3.84Å; E71-K81 HydrophobicContact CB-CG 3.81Å; E71-K81 IonicContact OE2-NZ 3.97Å |
| 72 | V | 98.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 113.4 | 174.3 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | F48 N56 L58 T78 I348 L374 | F48-V72 HydrophobicContact CE1-CB 4.29Å; F48-V72 HydrophobicContact CE1-CG2 3.86Å; F48-V72 HydrophobicContact CZ-CG2 4.42Å; N56-V72 HydrophobicContact CB-CB 4.15Å; N56-V72 PolarHBondContact O-N 3Å; L58-V72 HydrophobicContact CB-CG2 3.96Å; V72-T78 HydrophobicContact CG2-CG2 4.01Å; V72-I348 HydrophobicContact CG1-CD1 3.86Å; V72-L374 HydrophobicContact CB-CD1 4.43Å; V72-L374 HydrophobicContact CG1-CD1 3.53Å; V72-L374 HydrophobicContact CG2-CD1 4.04Å |
| 73 | K | 97.7 | Very high | 97.3 | Very high | 79 Ų | 79 | 45.2 Ų | 45.2 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | trans | -82.7 | 162.3 | -179.5 | -63.6 | 179.8 | -176.1 | 171.2 | 0 | 110.4 | D75 G76 S77 E79 | K73-D75 VanDerWaalsContact CB-OD1 3.31Å; K73-D75 WeakPolarHBondContact CB-OD1 3.35Å; K73-D75 PolarHBondContact O-N 3.42Å; K73-G76 PolarHBondContact O-N 3.13Å; K73-S77 PolarHBondContact N-O 2.89Å; K73-E79 WeakPolarHBondContact CE-OE2 3.35Å; K73-E79 IonicContact NZ-OE2 3.64Å; K73-E79 PolarHBondContact NZ-OE2 3.02Å | ||
| 74 | Q | 91.7 | Very high | 97.4 | Very high | 203 Ų | 203 | 43.7 Ų | 43.7 | 95% | 0.949 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.7 | -177.9 | -72.7 | -178.5 | -12.8 | 0 | 0 | 113.3 | G76 | Q74-G76 PolarHBondContact O-N 3.18Š|
| 75 | D | 93.9 | Very high | 97.4 | Very high | 105 Ų | 105 | 49.9 Ų | 49.9 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 5.2 | 176.1 | 66.5 | -4.8 | 0 | 0 | 0 | 113.4 | F33 K73 S77 | F33-D75 WeakPolarHBondContact CE1-O 3.43Å; F33-D75 WeakPolarHBondContact CZ-O 3.17Å; K73-D75 VanDerWaalsContact CB-OD1 3.31Å; K73-D75 WeakPolarHBondContact CB-OD1 3.35Å; K73-D75 PolarHBondContact O-N 3.42Å; D75-S77 PolarHBondContact O-N 2.79Å; D75-S77 VanDerWaalsContact OD1-CB 3.26Å; D75-S77 WeakPolarHBondContact OD1-CB 3.44Å; D75-S77 PolarHBondContact OD1-N 2.8Å; D75-S77 PolarHBondContact OD1-OG 2.81Å; D75-S77 PolarHBondContact OD2-OG 3.39Å |
| 76 | G | 93.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 81.2 | -7.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K73 Q74 | K73-G76 PolarHBondContact O-N 3.13Å; Q74-G76 PolarHBondContact O-N 3.18Å |
| 77 | S | 97.5 | Very high | 97.3 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | trans | -68.9 | 151.9 | 174.5 | 72.3 | 0 | 0 | 0 | 0 | 111.2 | K73 D75 | K73-S77 PolarHBondContact N-O 2.89Å; D75-S77 PolarHBondContact O-N 2.79Å; D75-S77 VanDerWaalsContact OD1-CB 3.26Å; D75-S77 WeakPolarHBondContact OD1-CB 3.44Å; D75-S77 PolarHBondContact OD1-N 2.8Å; D75-S77 PolarHBondContact OD1-OG 2.81Å; D75-S77 PolarHBondContact OD2-OG 3.39Å | ||
| 78 | T | 98.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145.5 | -178.2 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | V35 V36 E71 V72 L374 | V35-T78 WeakPolarHBondContact CA-OG1 3.41Å; V35-T78 HydrophobicContact CB-CG2 4.44Å; V35-T78 HydrophobicContact CG1-CG2 4.32Å; V35-T78 HydrophobicContact CG2-CG2 4.12Å; V36-T78 WeakPolarHBondContact CG2-O 3.48Å; V36-T78 PolarHBondContact N-OG1 2.86Å; E71-T78 VanDerWaalsContact O-CA 3.27Å; E71-T78 WeakPolarHBondContact O-CA 3.19Å; V72-T78 HydrophobicContact CG2-CG2 4.01Å; T78-L374 HydrophobicContact CG2-CD1 3.66Å |
| 79 | E | 98.3 | Very high | 97.1 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.9 | 179.4 | -174.6 | -174.7 | 134.4 | 0 | 0 | 109.5 | W70 E71 K73 K81 | W70-E79 CarbonylContact C-O 3.57Å; W70-E79 VanDerWaalsContact CA-O 3.24Å; W70-E79 WeakPolarHBondContact CA-O 3.48Å; E71-E79 PolarHBondContact N-O 3.28Å; E71-E79 PolarHBondContact O-N 3.23Å; K73-E79 WeakPolarHBondContact CE-OE2 3.35Å; K73-E79 IonicContact NZ-OE2 3.64Å; K73-E79 PolarHBondContact NZ-OE2 3.02Å; E79-K81 HydrophobicContact CB-CD 4.47Å; E79-K81 HydrophobicContact CG-CD 4.2Å; E79-K81 PolarHBondContact O-N 3.37Å; E79-K81 IonicContact OE1-NZ 3.56Å; E79-K81 PolarHBondContact OE1-NZ 2.87Å |
| 80 | P | 98.3 | Very high | 97.1 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 32% | 0.318 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 129.3 | 173 | -17.4 | 31 | 0 | 0 | 0 | 109.8 | V36 Q37 | V36-P80 HydrophobicContact CG2-CG 3.84Å; Q37-P80 HydrophobicContact CG-CG 4.49Å |
| 81 | K | 97.2 | Very high | 97.1 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 24% | 0.243 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -39.3 | 179.4 | -58 | -52.3 | -58.8 | -166.6 | 0 | 112.6 | F2 L5 F57 V69 E71 E79 | F2-K81 HydrophobicContact CD2-CB 3.92Å; F2-K81 HydrophobicContact CD2-CG 4.21Å; F2-K81 HydrophobicContact CE2-CB 4.25Å; F2-K81 HydrophobicContact CG-CB 4.09Å; L5-K81 VanDerWaalsContact CD1-O 3.25Å; L5-K81 WeakPolarHBondContact CD1-O 3.32Å; F57-K81 HydrophobicContact CD1-CG 4.28Å; F57-K81 HydrophobicContact CE1-CG 4.06Å; V69-K81 PolarHBondContact O-N 2.99Å; E71-K81 HydrophobicContact CB-CD 3.84Å; E71-K81 HydrophobicContact CB-CG 3.81Å; E71-K81 IonicContact OE2-NZ 3.97Å; E79-K81 HydrophobicContact CB-CD 4.47Å; E79-K81 HydrophobicContact CG-CD 4.2Å; E79-K81 PolarHBondContact O-N 3.37Å; E79-K81 IonicContact OE1-NZ 3.56Å; E79-K81 PolarHBondContact OE1-NZ 2.87Å |
| 82 | A | 96.8 | Very high | 97.1 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 152.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F2 L5 V69 W114 | F2-A82 HydrophobicContact CD1-CB 4.21Å; F2-A82 HydrophobicContact CE1-CB 4.05Å; L5-A82 HydrophobicContact CD1-CB 3.35Å; V69-A82 HydrophobicContact CB-CB 4.47Å; V69-A82 PolarHBondContact N-O 3.29Å; V69-A82 PolarHBondContact O-N 3.04Å; A82-W114 HydrophobicContact CB-CH2 3.54Å; A82-W114 HydrophobicContact CB-CZ2 3.57Å |
| 83 | E | 97.5 | Very high | 97.1 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153.3 | 166.2 | 62.5 | 173.3 | -135.2 | 0 | 0 | 111.4 | V66 I67 R68 | V66-E83 HydrophobicContact CG1-CB 4Å; I67-E83 CarbonylContact O-C 3.6Å; I67-E83 WeakPolarHBondContact O-CA 3.48Å; I67-E83 WeakPolarHBondContact O-CB 3.22Å; R68-E83 HydrophobicContact CG-CB 4.14Å; R68-E83 IonicContact NE-OE2 3.92Å |
| 84 | Q | 98.1 | Very high | 97.2 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 141 | 175.2 | -77.2 | -71.5 | -12 | 0 | 0 | 110.3 | V66 I67 W114 N119 M121 | V66-Q84 WeakPolarHBondContact CA-O 3.44Å; I67-Q84 PolarHBondContact N-O 3.42Å; I67-Q84 PolarHBondContact O-N 3.36Å; Q84-W114 HydrophobicContact CB-CD2 4.25Å; Q84-W114 HydrophobicContact CB-CE3 4.35Å; Q84-W114 HydrophobicContact CB-CH2 4.46Å; Q84-W114 HydrophobicContact CB-CZ2 4.39Å; Q84-W114 HydrophobicContact CB-CZ3 4.45Å; Q84-W114 HydrophobicContact CG-CD2 3.64Å; Q84-W114 HydrophobicContact CG-CE3 4.17Å; Q84-W114 HydrophobicContact CG-CG 4.06Å; Q84-W114 HydrophobicContact CG-CH2 4.04Å; Q84-W114 HydrophobicContact CG-CZ2 3.5Å; Q84-W114 HydrophobicContact CG-CZ3 4.35Å; Q84-N119 PolarHBondContact NE2-O 3.32Å; Q84-N119 PolarHBondContact NE2-OD1 3.4Å; Q84-M121 HydrophobicContact CB-CE 3.39Å; Q84-M121 HydrophobicContact CG-CE 3.84Å |
| 85 | R | 97.9 | Very high | 97.5 | Very high | 155 Ų | 155 | 42.9 Ų | 42.9 | 59% | 0.585 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 136.3 | 176.9 | 180 | 171.2 | -68 | -73.4 | -2.5 | 110.8 | D64 N65 | D64-R85 PolarHBondContact O-NH1 3.12Å; N65-R85 WeakPolarHBondContact O-CA 3.21Å |
| 86 | V | 97.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | trans | -112.9 | 177.8 | 169.1 | -63.2 | 0 | 0 | 0 | 0 | 110.1 | N65 I67 G88 V90 R112 M121 | N65-V86 HydrophobicContact CB-CG2 4.22Å; N65-V86 WeakPolarHBondContact CB-O 3.32Å; N65-V86 VanDerWaalsContact O-CG2 3.29Å; N65-V86 WeakPolarHBondContact O-CG2 3.2Å; N65-V86 PolarHBondContact O-N 3.26Å; I67-V86 HydrophobicContact CD1-CG1 4.16Å; V86-G88 WeakPolarHBondContact CG2-O 3.18Å; V86-V90 HydrophobicContact CG2-CG2 3.51Å; V86-R112 HydrophobicContact CG1-CG 3.98Å; V86-M121 HydrophobicContact CG1-CE 4.34Å | ||
| 87 | Q | 96.6 | Very high | 97.9 | Very high | 154 Ų | 154 | 40.8 Ų | 40.8 | 72% | 0.72 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -97 | -1.5 | -172.5 | -64.3 | 178.1 | -14.4 | 0 | 0 | 114.2 | D108 | Q87-D108 WeakPolarHBondContact CB-OD2 3.43Š|
| 88 | G | 96.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -156.5 | 172.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | N65 V86 V90 | N65-G88 WeakPolarHBondContact OD1-CA 3.16Å; N65-G88 PolarHBondContact OD1-O 3.12Å; V86-G88 WeakPolarHBondContact CG2-O 3.18Å; G88-V90 PolarHBondContact O-N 3.22Å |
| 89 | P | 98 | Very high | 97.9 | Very high | 25 Ų | 25 | 41.5 Ų | 41.5 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | trans | -50.3 | 134.8 | -177.7 | -33.7 | 34.8 | 0 | 0 | 0 | 113 | W63 N65 L91 C106 A107 | W63-P89 HydrophobicContact CD2-CB 3.87Å; W63-P89 HydrophobicContact CD2-CG 4.1Å; W63-P89 HydrophobicContact CE3-CB 3.8Å; W63-P89 HydrophobicContact CE3-CG 3.53Å; W63-P89 HydrophobicContact CG-CB 4.18Å; W63-P89 HydrophobicContact CZ3-CB 4.33Å; W63-P89 HydrophobicContact CZ3-CG 4Å; N65-P89 WeakPolarHBondContact OD1-CA 3.4Å; N65-P89 WeakPolarHBondContact OD1-CD 3.23Å; P89-L91 HydrophobicContact CB-CD2 4.3Å; P89-L91 PolarHBondContact O-N 2.6Å; P89-C106 WeakPolarHBondContact O-CA 3.49Å; P89-A107 HydrophobicContact CB-CB 3.98Å; P89-A107 HydrophobicContact CG-CB 4.19Å; P89-A107 PolarHBondContact O-N 3.19Å | ||
| 90 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 112 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | Q44 S62 I67 V86 G88 L93 A104 | Q44-V90 WeakPolarHBondContact CB-O 3.4Å; S62-V90 PolarHBondContact O-N 3.09Å; S62-V90 VanDerWaalsContact O-N 3.15Å; I67-V90 HydrophobicContact CG1-CG1 4.39Å; I67-V90 HydrophobicContact CG1-CG2 3.8Å; V86-V90 HydrophobicContact CG2-CG2 3.51Å; G88-V90 PolarHBondContact O-N 3.22Å; V90-L93 HydrophobicContact CG1-CD2 3.68Å; V90-L93 HydrophobicContact CG1-CG 4.03Å; V90-A104 HydrophobicContact CG1-CB 4.14Å |
| 91 | L | 98.5 | Very high | 97.8 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -21.3 | -171.3 | -61.6 | -176.2 | 0 | 0 | 0 | 114.4 | Q44 W63 P89 A105 A107 P130 V131 K132 | Q44-L91 HydrophobicContact CG-CD2 4.19Å; W63-L91 HydrophobicContact CZ2-CD2 4.33Å; P89-L91 HydrophobicContact CB-CD2 4.3Å; P89-L91 PolarHBondContact O-N 2.6Å; L91-A105 PolarHBondContact N-O 2.7Å; L91-A107 HydrophobicContact CD1-CB 3.94Å; L91-A107 HydrophobicContact CD2-CB 4.41Å; L91-A107 HydrophobicContact CG-CB 4.15Å; L91-P130 HydrophobicContact CD1-CB 4.33Å; L91-V131 WeakPolarHBondContact CD1-O 3.29Å; L91-K132 HydrophobicContact CB-CD 4.46Å; L91-K132 PolarHBondContact O-NZ 3.11Å; L91-K132 VanDerWaalsContact O-NZ 3.11Å |
| 92 | E | 98.8 | Very high | 97.9 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 154.5 | 173.8 | -164.5 | 61.3 | -130.2 | 0 | 0 | 109.9 | K47 A105 K132 | K47-E92 WeakPolarHBondContact CE-OE1 3.39Å; K47-E92 IonicContact NZ-OE1 3.63Å; K47-E92 PolarHBondContact NZ-OE1 2.86Å; E92-A105 HydrophobicContact CB-CB 4.08Å; E92-A105 PolarHBondContact O-N 2.96Å; E92-A105 VanDerWaalsContact O-N 3.07Å; E92-K132 IonicContact OE2-NZ 2.74Å |
| 93 | L | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 149.9 | 170.8 | -69.6 | 178.8 | 0 | 0 | 0 | 110.7 | A45 K47 A59 I67 V90 I102 F103 A104 | A45-L93 HydrophobicContact CB-CB 3.98Å; A45-L93 HydrophobicContact CB-CD1 4.09Å; A45-L93 HydrophobicContact CB-CG 3.67Å; K47-L93 HydrophobicContact CG-CB 4.36Å; A59-L93 HydrophobicContact CB-CD1 4.05Å; I67-L93 HydrophobicContact CD1-CD2 4.1Å; I67-L93 HydrophobicContact CG1-CD2 4.18Å; I67-L93 HydrophobicContact CG2-CD1 4.02Å; I67-L93 HydrophobicContact CG2-CD2 4.08Å; V90-L93 HydrophobicContact CG1-CD2 3.68Å; V90-L93 HydrophobicContact CG1-CG 4.03Å; L93-I102 HydrophobicContact CD2-CG2 3.84Å; L93-F103 VanDerWaalsContact CA-O 3.3Å; L93-F103 WeakPolarHBondContact CA-O 3.36Å; L93-F103 WeakPolarHBondContact CD2-O 3.12Å; L93-A104 HydrophobicContact CD2-CB 3.71Å |
| 94 | S | 98.8 | Very high | 98.1 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.4 | 169.5 | -155.6 | 0 | 0 | 0 | 0 | 110.9 | I102 F103 C134 W136 | S94-I102 CarbonylContact O-C 3.57Å; S94-I102 WeakPolarHBondContact O-CA 3.48Å; S94-F103 PolarHBondContact N-O 2.77Å; S94-F103 PolarHBondContact O-N 3.38Å; S94-C134 WeakPolarHBondContact CB-O 3.34Å; S94-W136 PolarHBondContact OG-N 3.36Å |
| 95 | W | 98.8 | Very high | 98.1 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 7% | 0.068 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 145.1 | 171.4 | -71.6 | 85.4 | 0 | 0 | 0 | 109.6 | K47 F48 F57 A59 K101 I102 L116 W136 | K47-W95 PolarHBondContact O-NE1 2.94Å; F48-W95 PolarHBondContact O-NE1 3.28Å; F57-W95 HydrophobicContact CB-CH2 3.89Å; F57-W95 HydrophobicContact CB-CZ2 4.18Å; A59-W95 HydrophobicContact CB-CZ2 3.73Å; W95-K101 WeakPolarHBondContact CA-O 3.32Å; W95-I102 HydrophobicContact CD2-CD1 4.38Å; W95-I102 HydrophobicContact CD2-CG1 3.82Å; W95-I102 HydrophobicContact CE3-CD1 4.38Å; W95-I102 HydrophobicContact CE3-CG1 3.77Å; W95-I102 HydrophobicContact CH2-CD1 3.7Å; W95-I102 HydrophobicContact CH2-CG1 4.02Å; W95-I102 HydrophobicContact CZ2-CD1 3.67Å; W95-I102 HydrophobicContact CZ2-CG1 4.05Å; W95-I102 HydrophobicContact CZ3-CD1 4.08Å; W95-I102 HydrophobicContact CZ3-CG1 3.89Å; W95-L116 HydrophobicContact CE3-CD1 4.2Å; W95-L116 HydrophobicContact CH2-CD1 3.88Å; W95-L116 HydrophobicContact CZ3-CD1 3.32Å; W95-W136 VanDerWaalsContact O-CB 3.24Å; W95-W136 WeakPolarHBondContact O-CB 3.47Å |
| 96 | S | 98.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.028 | 13% | 0.126 | C | C | . | . | trans | -62.8 | 153.5 | 157.9 | 58.7 | 0 | 0 | 0 | 0 | 109.8 | P50 D98 G99 T100 K101 | P50-S96 WeakPolarHBondContact CG-O 3.21Å; S96-D98 VanDerWaalsContact C-N 3.3Å; S96-D98 VanDerWaalsContact CB-OD1 3.28Å; S96-D98 WeakPolarHBondContact CB-OD1 3.43Å; S96-D98 PolarHBondContact O-N 2.9Å; S96-D98 PolarHBondContact OG-OD1 3.35Å; S96-G99 WeakPolarHBondContact O-CA 3.28Å; S96-G99 PolarHBondContact O-N 3.19Å; S96-T100 PolarHBondContact OG-N 3.45Å; S96-K101 PolarHBondContact N-O 3.35Å; S96-K101 PolarHBondContact OG-N 2.86Å; S96-K101 PolarHBondContact OG-O 2.86Å | ||
| 97 | D | 97.3 | Very high | 98.2 | Very high | 63 Ų | 63 | 25.3 Ų | 25.3 | 34% | 0.337 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -30.5 | -176.3 | 60.4 | -57.1 | 0 | 0 | 0 | 113.4 | P50 A52 G99 W136 H138 | P50-D97 WeakPolarHBondContact CG-O 3.42Å; A52-D97 VanDerWaalsContact CB-O 3.29Å; A52-D97 WeakPolarHBondContact CB-O 2.98Å; D97-G99 PolarHBondContact O-N 2.96Å; D97-W136 PolarHBondContact OD1-NE1 2.84Å; D97-H138 HydrophobicContact CB-CB 4.43Å; D97-H138 IonicContact OD1-ND1 3.7Å; D97-H138 IonicContact OD2-CE1 3.67Å; D97-H138 PolarHBondContact OD2-CE1 2.74Å; D97-H138 VanDerWaalsContact OD2-CE1 3.24Å; D97-H138 IonicContact OD2-CG 3.82Å; D97-H138 IonicContact OD2-ND1 3.22Å; D97-H138 PolarHBondContact OD2-ND1 2.76Å |
| 98 | D | 96.9 | Very high | 98.3 | Very high | 78 Ų | 78 | 19.9 Ų | 19.9 | 42% | 0.417 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -8.2 | 171.4 | 69.7 | -1.9 | 0 | 0 | 0 | 113.4 | S96 T100 | S96-D98 VanDerWaalsContact C-N 3.3Å; S96-D98 VanDerWaalsContact CB-OD1 3.28Å; S96-D98 WeakPolarHBondContact CB-OD1 3.43Å; S96-D98 PolarHBondContact O-N 2.9Å; S96-D98 PolarHBondContact OG-OD1 3.35Å; D98-T100 VanDerWaalsContact C-N 3.25Å; D98-T100 HydrophobicContact CB-CG2 4.29Å; D98-T100 PolarHBondContact O-N 2.56Å; D98-T100 PolarHBondContact OD1-N 3.4Å; D98-T100 PolarHBondContact OD1-OG1 2.87Å; D98-T100 WeakPolarHBondContact OD2-CG2 3.42Å; D98-T100 PolarHBondContact OD2-OG1 3.24Å |
| 99 | G | 98 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 70.5 | 10.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | M1 S96 D97 | M1-G99 WeakPolarHBondContact CE-O 3.29Å; S96-G99 WeakPolarHBondContact O-CA 3.28Å; S96-G99 PolarHBondContact O-N 3.19Å; D97-G99 PolarHBondContact O-N 2.96Å |
| 100 | T | 97.3 | Very high | 98.4 | Very high | 54 Ų | 54 | 20.3 Ų | 20.3 | 33% | 0.331 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -80.8 | -17.8 | -177.7 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | S96 D98 L116 | S96-T100 PolarHBondContact OG-N 3.45Å; D98-T100 VanDerWaalsContact C-N 3.25Å; D98-T100 HydrophobicContact CB-CG2 4.29Å; D98-T100 PolarHBondContact O-N 2.56Å; D98-T100 PolarHBondContact OD1-N 3.4Å; D98-T100 PolarHBondContact OD1-OG1 2.87Å; D98-T100 WeakPolarHBondContact OD2-CG2 3.42Å; D98-T100 PolarHBondContact OD2-OG1 3.24Å; T100-L116 WeakPolarHBondContact O-CB 3.35Å; T100-L116 PolarHBondContact O-N 2.84Å |
| 101 | K | 98.3 | Very high | 98.3 | Very high | 52 Ų | 52 | 20.3 Ų | 20.3 | 23% | 0.226 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.5 | -177.7 | -59.1 | -177.7 | -169.5 | -65.1 | 0 | 112.8 | W95 S96 F103 W114 D115 L159 | W95-K101 WeakPolarHBondContact CA-O 3.32Å; S96-K101 PolarHBondContact N-O 3.35Å; S96-K101 PolarHBondContact OG-N 2.86Å; S96-K101 PolarHBondContact OG-O 2.86Å; K101-F103 HydrophobicContact CB-CE2 4.32Å; K101-F103 HydrophobicContact CB-CZ 4.04Å; K101-F103 HydrophobicContact CD-CE1 4.48Å; K101-F103 HydrophobicContact CD-CZ 4.2Å; K101-W114 CarbonylContact C-O 3.58Å; K101-W114 WeakPolarHBondContact CA-O 3.3Å; K101-W114 WeakPolarHBondContact CB-O 3.31Å; K101-D115 IonicContact NZ-OD2 3.44Å; K101-D115 PolarHBondContact NZ-OD2 3.07Å; K101-L159 HydrophobicContact CD-CD1 4.07Å |
| 102 | I | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.3 | 165.9 | -64.4 | 172.7 | 0 | 0 | 0 | 108.1 | A59 I67 V69 L93 S94 W95 W114 L116 | A59-I102 HydrophobicContact CB-CD1 3.84Å; I67-I102 HydrophobicContact CG2-CG2 4.37Å; V69-I102 HydrophobicContact CG2-CD1 3.57Å; L93-I102 HydrophobicContact CD2-CG2 3.84Å; S94-I102 CarbonylContact O-C 3.57Å; S94-I102 WeakPolarHBondContact O-CA 3.48Å; W95-I102 HydrophobicContact CD2-CD1 4.38Å; W95-I102 HydrophobicContact CD2-CG1 3.82Å; W95-I102 HydrophobicContact CE3-CD1 4.38Å; W95-I102 HydrophobicContact CE3-CG1 3.77Å; W95-I102 HydrophobicContact CH2-CD1 3.7Å; W95-I102 HydrophobicContact CH2-CG1 4.02Å; W95-I102 HydrophobicContact CZ2-CD1 3.67Å; W95-I102 HydrophobicContact CZ2-CG1 4.05Å; W95-I102 HydrophobicContact CZ3-CD1 4.08Å; W95-I102 HydrophobicContact CZ3-CG1 3.89Å; I102-W114 HydrophobicContact CB-CB 4.42Å; I102-W114 HydrophobicContact CB-CE3 4.23Å; I102-W114 HydrophobicContact CD1-CE3 4.02Å; I102-W114 HydrophobicContact CD1-CZ3 4.12Å; I102-W114 PolarHBondContact N-O 3.04Å; I102-W114 WeakPolarHBondContact O-CB 3.32Å; I102-W114 PolarHBondContact O-N 3.32Å; I102-L116 HydrophobicContact CD1-CD1 4.21Å; I102-L116 HydrophobicContact CD1-CD2 3.89Å; I102-L116 HydrophobicContact CG1-CD1 4.13Å; I102-L116 HydrophobicContact CG1-CD2 4.15Å; I102-L116 HydrophobicContact CG1-CG 4.48Å |
| 103 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 147.1 | 172.4 | -54.6 | -76.4 | 0 | 0 | 0 | 110.4 | L93 S94 K101 R112 A113 L124 W136 L145 L159 | L93-F103 VanDerWaalsContact CA-O 3.3Å; L93-F103 WeakPolarHBondContact CA-O 3.36Å; L93-F103 WeakPolarHBondContact CD2-O 3.12Å; S94-F103 PolarHBondContact N-O 2.77Å; S94-F103 PolarHBondContact O-N 3.38Å; K101-F103 HydrophobicContact CB-CE2 4.32Å; K101-F103 HydrophobicContact CB-CZ 4.04Å; K101-F103 HydrophobicContact CD-CE1 4.48Å; K101-F103 HydrophobicContact CD-CZ 4.2Å; F103-R112 CarbonylContact C-O 3.41Å; F103-R112 VanDerWaalsContact CA-O 3.23Å; F103-R112 WeakPolarHBondContact CA-O 3.37Å; F103-A113 HydrophobicContact CD1-CB 3.69Å; F103-A113 HydrophobicContact CE1-CB 3.7Å; F103-L124 HydrophobicContact CD1-CD2 4.03Å; F103-L124 HydrophobicContact CE1-CD2 4.1Å; F103-W136 HydrophobicContact CD2-CE3 4.21Å; F103-W136 HydrophobicContact CE2-CD2 4.1Å; F103-W136 AromaticContact CE2-CE3 3.44Å; F103-W136 HydrophobicContact CE2-CE3 3.44Å; F103-W136 VanDerWaalsContact CE2-CE3 3.44Å; F103-W136 AromaticContact CE2-CZ3 3.77Å; F103-W136 HydrophobicContact CE2-CZ3 3.77Å; F103-W136 AromaticContact CZ-CE3 3.84Å; F103-W136 HydrophobicContact CZ-CE3 3.84Å; F103-W136 HydrophobicContact CZ-CH2 4.42Å; F103-W136 AromaticContact CZ-CZ3 3.66Å; F103-W136 HydrophobicContact CZ-CZ3 3.66Å; F103-L145 HydrophobicContact CB-CD1 3.78Å; F103-L145 HydrophobicContact CB-CD2 3.7Å; F103-L145 HydrophobicContact CB-CG 4.4Å; F103-L145 HydrophobicContact CD1-CD1 4.4Å; F103-L145 HydrophobicContact CD1-CD2 3.87Å; F103-L145 HydrophobicContact CD2-CD1 3.65Å; F103-L145 HydrophobicContact CE2-CD1 4.34Å; F103-L145 HydrophobicContact CG-CD1 3.67Å; F103-L145 HydrophobicContact CG-CD2 3.79Å; F103-L145 HydrophobicContact CG-CG 4.29Å; F103-L159 HydrophobicContact CE1-CD1 4.36Å; F103-L159 HydrophobicContact CE1-CD2 3.63Å; F103-L159 HydrophobicContact CZ-CD1 3.9Å; F103-L159 HydrophobicContact CZ-CD2 3.89Å |
| 104 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | I67 V90 L93 V111 R112 | I67-A104 HydrophobicContact CD1-CB 3.57Å; V90-A104 HydrophobicContact CG1-CB 4.14Å; L93-A104 HydrophobicContact CD2-CB 3.71Å; A104-V111 WeakPolarHBondContact O-CA 3.45Å; A104-R112 HydrophobicContact CB-CB 4.3Å; A104-R112 PolarHBondContact N-O 3.22Å; A104-R112 PolarHBondContact O-N 2.78Å |
| 105 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 123.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | L91 E92 V131 C134 | L91-A105 PolarHBondContact N-O 2.7Å; E92-A105 HydrophobicContact CB-CB 4.08Å; E92-A105 PolarHBondContact O-N 2.96Å; E92-A105 VanDerWaalsContact O-N 3.07Å; A105-V131 CarbonylContact C-O 3.53Å; A105-V131 HydrophobicContact CB-CB 3.94Å; A105-V131 HydrophobicContact CB-CG1 3.68Å; A105-V131 WeakPolarHBondContact CB-O 3.41Å; A105-C134 HydrophobicContact CB-CB 3.94Å |
| 106 | C | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 151.2 | -169 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | P89 D108 C109 T110 V131 | P89-C106 WeakPolarHBondContact O-CA 3.49Å; C106-D108 WeakPolarHBondContact CB-OD1 3.24Å; C106-D108 PolarHBondContact O-N 2.95Å; C106-C109 PolarHBondContact O-N 3.03Å; C106-T110 WeakPolarHBondContact CB-O 3.3Å; C106-T110 PolarHBondContact N-O 2.93Å; C106-T110 VanDerWaalsContact N-O 3.13Å; C106-V131 PolarHBondContact O-N 3.27Å |
| 107 | A | 98.2 | Very high | 97.8 | Very high | 30 Ų | 30 | 23 Ų | 23 | 25% | 0.248 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P89 L91 C109 | P89-A107 HydrophobicContact CB-CB 3.98Å; P89-A107 HydrophobicContact CG-CB 4.19Å; P89-A107 PolarHBondContact O-N 3.19Å; L91-A107 HydrophobicContact CD1-CB 3.94Å; L91-A107 HydrophobicContact CD2-CB 4.41Å; L91-A107 HydrophobicContact CG-CB 4.15Å; A107-C109 PolarHBondContact O-N 3.44Å |
| 108 | D | 98.1 | Very high | 97.8 | Very high | 39 Ų | 39 | 23.1 Ų | 23.1 | 21% | 0.209 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 13.7 | 170.6 | 70.8 | -4.1 | 0 | 0 | 0 | 113 | Q87 C106 T110 R112 | Q87-D108 WeakPolarHBondContact CB-OD2 3.43Å; C106-D108 WeakPolarHBondContact CB-OD1 3.24Å; C106-D108 PolarHBondContact O-N 2.95Å; D108-T110 PolarHBondContact O-N 2.82Å; D108-T110 WeakPolarHBondContact OD1-CB 3.49Å; D108-T110 PolarHBondContact OD1-N 3.24Å; D108-T110 PolarHBondContact OD1-OG1 2.73Å; D108-T110 PolarHBondContact OD2-OG1 2.95Å; D108-T110 VanDerWaalsContact OD2-OG1 3.12Å; D108-R112 IonicContact OD2-NH2 3.03Å |
| 109 | C | 98.6 | Very high | 97.7 | Very high | 27 Ų | 27 | 21.1 Ų | 21.1 | 18% | 0.182 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 68 | 5.9 | -177.6 | -45.1 | 0 | 0 | 0 | 0 | 115 | C106 A107 H127 Q129 V131 | C106-C109 PolarHBondContact O-N 3.03Å; A107-C109 PolarHBondContact O-N 3.44Å; C109-H127 VanDerWaalsContact CB-O 3.3Å; C109-H127 WeakPolarHBondContact CB-O 3.47Å; C109-H127 PolarHBondContact O-N 3.29Å; C109-Q129 VanDerWaalsContact SG-CA 3.51Å; C109-V131 WeakPolarHBondContact O-CG2 3.42Å |
| 110 | T | 98.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 8% | 0.08 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 154.4 | 179.7 | 72.7 | 0 | 0 | 0 | 0 | 113 | C106 D108 R112 | C106-T110 WeakPolarHBondContact CB-O 3.3Å; C106-T110 PolarHBondContact N-O 2.93Å; C106-T110 VanDerWaalsContact N-O 3.13Å; D108-T110 PolarHBondContact O-N 2.82Å; D108-T110 WeakPolarHBondContact OD1-CB 3.49Å; D108-T110 PolarHBondContact OD1-N 3.24Å; D108-T110 PolarHBondContact OD1-OG1 2.73Å; D108-T110 PolarHBondContact OD2-OG1 2.95Å; D108-T110 VanDerWaalsContact OD2-OG1 3.12Å; T110-R112 PolarHBondContact OG1-NE 3.44Å |
| 111 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.9 | 168 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | A104 L124 G125 V131 L145 T147 W157 | A104-V111 WeakPolarHBondContact O-CA 3.45Å; V111-L124 HydrophobicContact CG1-CB 4.25Å; V111-L124 HydrophobicContact CG1-CD2 4.22Å; V111-L124 PolarHBondContact O-N 3.1Å; V111-G125 PolarHBondContact N-O 2.84Å; V111-G125 PolarHBondContact O-N 3.09Å; V111-V131 HydrophobicContact CG2-CG1 4.12Å; V111-V131 HydrophobicContact CG2-CG2 4.04Å; V111-L145 HydrophobicContact CG1-CD2 3.52Å; V111-T147 HydrophobicContact CB-CG2 4.49Å; V111-T147 HydrophobicContact CG1-CG2 3.78Å; V111-T147 HydrophobicContact CG2-CG2 3.85Å; V111-W157 HydrophobicContact CG2-CZ2 4.39Å |
| 112 | R | 98.2 | Very high | 97.4 | Very high | 30 Ų | 30 | 26.8 Ų | 26.8 | 11% | 0.113 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 147.5 | -177.8 | -55.2 | -66.1 | -178 | 146.6 | 6.2 | 111.3 | V86 F103 A104 D108 T110 M121 A122 T123 | V86-R112 HydrophobicContact CG1-CG 3.98Å; F103-R112 CarbonylContact C-O 3.41Å; F103-R112 VanDerWaalsContact CA-O 3.23Å; F103-R112 WeakPolarHBondContact CA-O 3.37Å; A104-R112 HydrophobicContact CB-CB 4.3Å; A104-R112 PolarHBondContact N-O 3.22Å; A104-R112 PolarHBondContact O-N 2.78Å; D108-R112 IonicContact OD2-NH2 3.03Å; T110-R112 PolarHBondContact OG1-NE 3.44Å; R112-M121 HydrophobicContact CB-SD 3.63Å; R112-M121 HydrophobicContact CG-SD 4.42Å; R112-A122 CarbonylContact C-O 3.56Å; R112-A122 WeakPolarHBondContact CA-O 3.37Å; R112-T123 PolarHBondContact NH1-OG1 3.08Å |
| 113 | A | 97.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 12% | 0.116 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 118.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | F103 A122 L124 | F103-A113 HydrophobicContact CD1-CB 3.69Å; F103-A113 HydrophobicContact CE1-CB 3.7Å; A113-A122 PolarHBondContact N-O 3.14Å; A113-A122 PolarHBondContact O-N 3.44Å; A113-L124 HydrophobicContact CB-CB 4.19Å |
| 114 | W | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 115 | 176.7 | -177.1 | 13.5 | 0 | 0 | 0 | 109.7 | I67 V69 A82 Q84 K101 I102 L116 N119 Q120 M121 | I67-W114 HydrophobicContact CB-CE3 4.44Å; I67-W114 HydrophobicContact CB-CZ3 4.23Å; I67-W114 HydrophobicContact CG2-CE3 3.99Å; I67-W114 HydrophobicContact CG2-CZ3 3.76Å; V69-W114 HydrophobicContact CG2-CH2 3.84Å; V69-W114 HydrophobicContact CG2-CZ3 3.63Å; A82-W114 HydrophobicContact CB-CH2 3.54Å; A82-W114 HydrophobicContact CB-CZ2 3.57Å; Q84-W114 HydrophobicContact CB-CD2 4.25Å; Q84-W114 HydrophobicContact CB-CE3 4.35Å; Q84-W114 HydrophobicContact CB-CH2 4.46Å; Q84-W114 HydrophobicContact CB-CZ2 4.39Å; Q84-W114 HydrophobicContact CB-CZ3 4.45Å; Q84-W114 HydrophobicContact CG-CD2 3.64Å; Q84-W114 HydrophobicContact CG-CE3 4.17Å; Q84-W114 HydrophobicContact CG-CG 4.06Å; Q84-W114 HydrophobicContact CG-CH2 4.04Å; Q84-W114 HydrophobicContact CG-CZ2 3.5Å; Q84-W114 HydrophobicContact CG-CZ3 4.35Å; K101-W114 CarbonylContact C-O 3.58Å; K101-W114 WeakPolarHBondContact CA-O 3.3Å; K101-W114 WeakPolarHBondContact CB-O 3.31Å; I102-W114 HydrophobicContact CB-CB 4.42Å; I102-W114 HydrophobicContact CB-CE3 4.23Å; I102-W114 HydrophobicContact CD1-CE3 4.02Å; I102-W114 HydrophobicContact CD1-CZ3 4.12Å; I102-W114 PolarHBondContact N-O 3.04Å; I102-W114 WeakPolarHBondContact O-CB 3.32Å; I102-W114 PolarHBondContact O-N 3.32Å; W114-L116 HydrophobicContact CD2-CD2 3.57Å; W114-L116 HydrophobicContact CE3-CD2 3.86Å; W114-L116 HydrophobicContact CG-CD2 4.04Å; W114-L116 HydrophobicContact CH2-CD2 4.26Å; W114-L116 HydrophobicContact CZ2-CD2 3.97Å; W114-L116 HydrophobicContact CZ3-CD2 4.2Å; W114-N119 WeakPolarHBondContact CZ2-OD1 3.37Å; W114-N119 PolarHBondContact NE1-OD1 2.95Å; W114-Q120 WeakPolarHBondContact CA-O 3.46Å; W114-M121 HydrophobicContact CB-CE 3.62Å; W114-M121 HydrophobicContact CB-SD 3.83Å; W114-M121 HydrophobicContact CD2-CE 4.29Å; W114-M121 HydrophobicContact CG-CE 3.89Å |
| 115 | D | 97.6 | Very high | 97.1 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 22% | 0.219 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 117.7 | 170.8 | -175.1 | -78.8 | 0 | 0 | 0 | 110.4 | K101 G117 S118 N119 Q120 | K101-D115 IonicContact NZ-OD2 3.44Å; K101-D115 PolarHBondContact NZ-OD2 3.07Å; D115-G117 PolarHBondContact OD1-N 3.47Å; D115-G117 VanDerWaalsContact OD1-N 3.16Å; D115-S118 WeakPolarHBondContact CB-OG 3.29Å; D115-S118 VanDerWaalsContact CG-OG 3.22Å; D115-S118 WeakPolarHBondContact OD1-CB 3.33Å; D115-S118 PolarHBondContact OD1-N 3.18Å; D115-S118 PolarHBondContact OD1-OG 2.51Å; D115-N119 WeakPolarHBondContact O-CA 3.44Å; D115-N119 PolarHBondContact O-N 3.29Å; D115-Q120 PolarHBondContact N-O 2.91Å; D115-Q120 PolarHBondContact O-N 3.15Å |
| 116 | L | 96.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -20.9 | -172.4 | -57.9 | 179 | 0 | 0 | 0 | 113.5 | M1 F2 W95 T100 I102 W114 | M1-L116 HydrophobicContact CG-CB 3.92Å; M1-L116 HydrophobicContact CG-CD1 4.35Å; M1-L116 HydrophobicContact SD-CB 4.22Å; M1-L116 HydrophobicContact SD-CD1 3.55Å; M1-L116 VanDerWaalsContact SD-CD1 3.55Å; F2-L116 HydrophobicContact CE1-CB 3.92Å; F2-L116 HydrophobicContact CE1-CD1 4.24Å; F2-L116 HydrophobicContact CE1-CD2 3.98Å; F2-L116 HydrophobicContact CE1-CG 4.27Å; F2-L116 HydrophobicContact CZ-CB 4.42Å; F2-L116 HydrophobicContact CZ-CD1 3.99Å; F2-L116 HydrophobicContact CZ-CD2 4.37Å; W95-L116 HydrophobicContact CE3-CD1 4.2Å; W95-L116 HydrophobicContact CH2-CD1 3.88Å; W95-L116 HydrophobicContact CZ3-CD1 3.32Å; T100-L116 WeakPolarHBondContact O-CB 3.35Å; T100-L116 PolarHBondContact O-N 2.84Å; I102-L116 HydrophobicContact CD1-CD1 4.21Å; I102-L116 HydrophobicContact CD1-CD2 3.89Å; I102-L116 HydrophobicContact CG1-CD1 4.13Å; I102-L116 HydrophobicContact CG1-CD2 4.15Å; I102-L116 HydrophobicContact CG1-CG 4.48Å; W114-L116 HydrophobicContact CD2-CD2 3.57Å; W114-L116 HydrophobicContact CE3-CD2 3.86Å; W114-L116 HydrophobicContact CG-CD2 4.04Å; W114-L116 HydrophobicContact CH2-CD2 4.26Å; W114-L116 HydrophobicContact CZ2-CD2 3.97Å; W114-L116 HydrophobicContact CZ3-CD2 4.2Å |
| 117 | G | 93.5 | Very high | 97.1 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 42% | 0.423 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -43.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D115 | D115-G117 PolarHBondContact OD1-N 3.47Å; D115-G117 VanDerWaalsContact OD1-N 3.16Å |
| 118 | S | 95.5 | Very high | 97.1 | Very high | 64 Ų | 64 | 39.9 Ų | 39.9 | 45% | 0.448 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -11.4 | 177.6 | 62.9 | 0 | 0 | 0 | 0 | 113.8 | D115 Q120 | D115-S118 WeakPolarHBondContact CB-OG 3.29Å; D115-S118 VanDerWaalsContact CG-OG 3.22Å; D115-S118 WeakPolarHBondContact OD1-CB 3.33Å; D115-S118 PolarHBondContact OD1-N 3.18Å; D115-S118 PolarHBondContact OD1-OG 2.51Å; S118-Q120 PolarHBondContact O-N 2.88Å |
| 119 | N | 95.4 | Very high | 97.1 | Very high | 36 Ų | 36 | 42.7 Ų | 42.7 | 19% | 0.193 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 31.1 | -172.2 | -158.6 | 27.1 | 0 | 0 | 0 | 114.5 | L5 Q84 W114 D115 | L5-N119 HydrophobicContact CD2-CB 3.41Å; L5-N119 VanDerWaalsContact CD2-CB 3.41Å; L5-N119 VanDerWaalsContact CD2-ND2 3.33Å; L5-N119 WeakPolarHBondContact CD2-ND2 3.25Å; Q84-N119 PolarHBondContact NE2-O 3.32Å; Q84-N119 PolarHBondContact NE2-OD1 3.4Å; W114-N119 WeakPolarHBondContact CZ2-OD1 3.37Å; W114-N119 PolarHBondContact NE1-OD1 2.95Å; D115-N119 WeakPolarHBondContact O-CA 3.44Å; D115-N119 PolarHBondContact O-N 3.29Å |
| 120 | Q | 96.1 | Very high | 97.1 | Very high | 130 Ų | 130 | 42.4 Ų | 42.4 | 61% | 0.607 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 134.6 | -179.9 | -66.1 | -60.2 | -41.7 | 0 | 0 | 110.9 | W114 D115 S118 | W114-Q120 WeakPolarHBondContact CA-O 3.46Å; D115-Q120 PolarHBondContact N-O 2.91Å; D115-Q120 PolarHBondContact O-N 3.15Å; S118-Q120 PolarHBondContact O-N 2.88Å |
| 121 | M | 96.6 | Very high | 97.1 | Very high | 42 Ų | 42 | 41.8 Ų | 41.8 | 21% | 0.207 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.3 | 173.1 | -175.2 | 66.3 | 75.9 | 0 | 0 | 109.4 | I67 Q84 V86 R112 W114 | I67-M121 HydrophobicContact CD1-CE 3.87Å; Q84-M121 HydrophobicContact CB-CE 3.39Å; Q84-M121 HydrophobicContact CG-CE 3.84Å; V86-M121 HydrophobicContact CG1-CE 4.34Å; R112-M121 HydrophobicContact CB-SD 3.63Å; R112-M121 HydrophobicContact CG-SD 4.42Å; W114-M121 HydrophobicContact CB-CE 3.62Å; W114-M121 HydrophobicContact CB-SD 3.83Å; W114-M121 HydrophobicContact CD2-CE 4.29Å; W114-M121 HydrophobicContact CG-CE 3.89Å |
| 122 | A | 95.6 | Very high | 97.1 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 45% | 0.446 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 150 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R112 A113 L124 | R112-A122 CarbonylContact C-O 3.56Å; R112-A122 WeakPolarHBondContact CA-O 3.37Å; A113-A122 PolarHBondContact N-O 3.14Å; A113-A122 PolarHBondContact O-N 3.44Å; A122-L124 PolarHBondContact O-N 2.8Å |
| 123 | T | 96.2 | Very high | 97.2 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 32% | 0.319 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 117.1 | 163.1 | -57.1 | 0 | 0 | 0 | 0 | 108.2 | R112 | R112-T123 PolarHBondContact NH1-OG1 3.08Å |
| 124 | L | 96.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -34.8 | 176.4 | -179.4 | 60 | 0 | 0 | 0 | 111.2 | F103 V111 A113 A122 L145 W157 L159 N163 | F103-L124 HydrophobicContact CD1-CD2 4.03Å; F103-L124 HydrophobicContact CE1-CD2 4.1Å; V111-L124 HydrophobicContact CG1-CB 4.25Å; V111-L124 HydrophobicContact CG1-CD2 4.22Å; V111-L124 PolarHBondContact O-N 3.1Å; A113-L124 HydrophobicContact CB-CB 4.19Å; A122-L124 PolarHBondContact O-N 2.8Å; L124-L145 HydrophobicContact CD2-CB 4.15Å; L124-L145 HydrophobicContact CD2-CD2 3.7Å; L124-W157 HydrophobicContact CD1-CB 4.33Å; L124-W157 HydrophobicContact CD2-CB 3.84Å; L124-W157 HydrophobicContact CD2-CG 4.26Å; L124-W157 HydrophobicContact CG-CB 3.94Å; L124-W157 HydrophobicContact CG-CG 4.25Å; L124-L159 HydrophobicContact CD1-CD2 3.74Å; L124-L159 HydrophobicContact CD2-CD2 3.82Å; L124-L159 HydrophobicContact CG-CD2 4.46Å; L124-N163 PolarHBondContact O-N 3.41Å |
| 125 | G | 96.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V111 | V111-G125 PolarHBondContact N-O 2.84Å; V111-G125 PolarHBondContact O-N 3.09Å |
| 126 | Q | 97.7 | Very high | 97.3 | Very high | 119 Ų | 119 | 41.3 Ų | 41.3 | 56% | 0.556 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 147.8 | -177.8 | -179 | 172.4 | -18.8 | 0 | 0 | 111.9 | K155 | Q126-K155 PolarHBondContact O-NZ 3.01Å |
| 127 | H | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -113.6 | 168.8 | 169.5 | -79.5 | -94.6 | 0 | 0 | 0 | 110.4 | C109 Q129 V131 T147 S149 D151 T153 K155 | C109-H127 VanDerWaalsContact CB-O 3.3Å; C109-H127 WeakPolarHBondContact CB-O 3.47Å; C109-H127 PolarHBondContact O-N 3.29Å; H127-Q129 VanDerWaalsContact C-N 3.3Å; H127-Q129 WeakPolarHBondContact CB-O 3.35Å; H127-V131 HydrophobicContact CB-CG2 3.91Å; H127-T147 PolarHBondContact NE2-OG1 2.9Å; H127-S149 VanDerWaalsContact CG-CB 3.5Å; H127-S149 WeakPolarHBondContact ND1-CB 3.45Å; H127-D151 WeakPolarHBondContact CB-OD2 3.45Å; H127-D151 IonicContact CE1-OD2 2.7Å; H127-D151 IonicContact CG-OD2 2.81Å; H127-D151 IonicContact ND1-OD1 3.7Å; H127-D151 PolarHBondContact ND1-OD1 2.94Å; H127-D151 IonicContact ND1-OD2 3.37Å; H127-D151 PolarHBondContact ND1-OD2 2.95Å; H127-T153 PolarHBondContact CE1-OG1 3.14Å; H127-T153 PolarHBondContact ND1-OG1 3.27Å; H127-T153 VanDerWaalsContact ND1-OG1 3.09Å; H127-K155 VanDerWaalsContact CE1-CD 3.46Å; H127-K155 WeakPolarHBondContact CE1-CD 3.31Å; H127-K155 VanDerWaalsContact CE1-CG 3.47Å; H127-K155 WeakPolarHBondContact CE1-CG 3.34Å | ||
| 128 | D | 98.6 | Very high | 97.4 | Very high | 126 Ų | 126 | 43.8 Ų | 43.8 | 67% | 0.674 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -87.9 | -4.1 | 179.1 | -60.9 | -38.5 | 0 | 0 | 0 | 112.8 | D151 | D128-D151 HydrophobicContact CB-CB 4.11Å; D128-D151 PolarHBondContact N-OD2 3.36Å |
| 129 | Q | 98.8 | Very high | 97.4 | Very high | 97 Ų | 97 | 41 Ų | 41 | 45% | 0.453 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -150.4 | 168.1 | -179.6 | -70.3 | -64 | -55 | 0 | 0 | 109.8 | C109 H127 V131 S149 W150 D151 | C109-Q129 VanDerWaalsContact SG-CA 3.51Å; H127-Q129 VanDerWaalsContact C-N 3.3Å; H127-Q129 WeakPolarHBondContact CB-O 3.35Å; Q129-V131 PolarHBondContact O-N 3.37Å; Q129-S149 PolarHBondContact O-OG 2.9Å; Q129-W150 HydrophobicContact CB-CB 4.04Å; Q129-D151 HydrophobicContact CB-CB 3.86Å; Q129-D151 HydrophobicContact CG-CB 4.02Å |
| 130 | P | 98.5 | Very high | 97.3 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | trans | -46.1 | 131.4 | -179.1 | -34.9 | 38.9 | 0 | 0 | 0 | 114.1 | L91 K132 S149 W150 | L91-P130 HydrophobicContact CD1-CB 4.33Å; P130-K132 PolarHBondContact O-N 3.12Å; P130-S149 WeakPolarHBondContact O-CA 3.37Å; P130-S149 PolarHBondContact O-OG 2.93Å; P130-W150 HydrophobicContact CB-CD2 4.17Å; P130-W150 HydrophobicContact CB-CE3 3.76Å; P130-W150 HydrophobicContact CB-CZ3 4.08Å; P130-W150 HydrophobicContact CG-CE3 3.74Å; P130-W150 HydrophobicContact CG-CZ3 3.98Å; P130-W150 PolarHBondContact O-N 2.7Å; P130-W150 VanDerWaalsContact O-N 3.12Å | ||
| 131 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 109.6 | 177.1 | -164.3 | 0 | 0 | 0 | 0 | 107.8 | L91 A105 C106 C109 V111 H127 Q129 T147 | L91-V131 WeakPolarHBondContact CD1-O 3.29Å; A105-V131 CarbonylContact C-O 3.53Å; A105-V131 HydrophobicContact CB-CB 3.94Å; A105-V131 HydrophobicContact CB-CG1 3.68Å; A105-V131 WeakPolarHBondContact CB-O 3.41Å; C106-V131 PolarHBondContact O-N 3.27Å; C109-V131 WeakPolarHBondContact O-CG2 3.42Å; V111-V131 HydrophobicContact CG2-CG1 4.12Å; V111-V131 HydrophobicContact CG2-CG2 4.04Å; H127-V131 HydrophobicContact CB-CG2 3.91Å; Q129-V131 PolarHBondContact O-N 3.37Å; V131-T147 HydrophobicContact CG1-CG2 4.38Å |
| 132 | K | 98.5 | Very high | 96.7 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 10% | 0.1 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -29.7 | -174.2 | 177 | 59.8 | -154.2 | 83.3 | 0 | 112.8 | L91 E92 P130 G148 Y176 | L91-K132 HydrophobicContact CB-CD 4.46Å; L91-K132 PolarHBondContact O-NZ 3.11Å; L91-K132 VanDerWaalsContact O-NZ 3.11Å; E92-K132 IonicContact OE2-NZ 2.74Å; P130-K132 PolarHBondContact O-N 3.12Å; K132-G148 PolarHBondContact N-O 2.88Å; K132-Y176 WeakPolarHBondContact CG-O 3.19Å |
| 133 | T | 98.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.4 | -175.1 | 71.1 | 0 | 0 | 0 | 0 | 111.7 | T147 G148 V178 | T133-T147 WeakPolarHBondContact O-CA 3.31Å; T133-T147 WeakPolarHBondContact O-CB 3.42Å; T133-G148 PolarHBondContact N-O 3.25Å; T133-G148 VanDerWaalsContact N-O 3.1Å; T133-G148 PolarHBondContact O-N 2.81Å; T133-G148 VanDerWaalsContact O-N 3.08Å; T133-G148 WeakPolarHBondContact OG1-CA 3.45Å; T133-G148 PolarHBondContact OG1-N 2.87Å; T133-G148 VanDerWaalsContact OG1-N 3.09Å; T133-V178 HydrophobicContact CG2-CB 4.41Å; T133-V178 HydrophobicContact CG2-CG2 4.34Å; T133-V178 WeakPolarHBondContact OG1-CG2 3.38Å |
| 134 | C | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 132.4 | 164.6 | 59.3 | 0 | 0 | 0 | 0 | 109.2 | S94 A105 L145 A146 T147 | S94-C134 WeakPolarHBondContact CB-O 3.34Å; A105-C134 HydrophobicContact CB-CB 3.94Å; C134-L145 HydrophobicContact CB-CD1 4.13Å; C134-L145 HydrophobicContact CB-CD2 4.17Å; C134-L145 HydrophobicContact CB-CG 4.32Å; C134-A146 CarbonylContact C-O 3.54Å; C134-A146 VanDerWaalsContact CA-O 3.31Å; C134-A146 WeakPolarHBondContact CA-O 3.24Å; C134-T147 HydrophobicContact CB-CG2 3.93Å |
| 135 | N | 98.8 | Very high | 96.8 | Very high | 14 Ų | 14 | 41 Ų | 41 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 123.9 | -178.9 | -66.2 | -81.2 | 0 | 0 | 0 | 109.9 | V137 A146 V178 V180 | N135-V137 PolarHBondContact O-N 3.37Å; N135-A146 PolarHBondContact N-O 2.77Å; N135-A146 PolarHBondContact O-N 3.21Å; N135-V178 WeakPolarHBondContact ND2-CB 3.45Å; N135-V178 PolarHBondContact ND2-O 2.79Å; N135-V178 PolarHBondContact OD1-O 3.2Å; N135-V180 HydrophobicContact CB-CB 4.12Å; N135-V180 HydrophobicContact CB-CG2 3.6Å |
| 136 | W | 98.4 | Very high | 96.9 | Very high | 35 Ų | 35 | 41 Ų | 41 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 128.3 | 174.1 | -172.4 | -116.3 | 0 | 0 | 0 | 110.5 | S94 W95 D97 F103 C144 L145 L159 | S94-W136 PolarHBondContact OG-N 3.36Å; W95-W136 VanDerWaalsContact O-CB 3.24Å; W95-W136 WeakPolarHBondContact O-CB 3.47Å; D97-W136 PolarHBondContact OD1-NE1 2.84Å; F103-W136 HydrophobicContact CD2-CE3 4.21Å; F103-W136 HydrophobicContact CE2-CD2 4.1Å; F103-W136 AromaticContact CE2-CE3 3.44Å; F103-W136 HydrophobicContact CE2-CE3 3.44Å; F103-W136 VanDerWaalsContact CE2-CE3 3.44Å; F103-W136 AromaticContact CE2-CZ3 3.77Å; F103-W136 HydrophobicContact CE2-CZ3 3.77Å; F103-W136 AromaticContact CZ-CE3 3.84Å; F103-W136 HydrophobicContact CZ-CE3 3.84Å; F103-W136 HydrophobicContact CZ-CH2 4.42Å; F103-W136 AromaticContact CZ-CZ3 3.66Å; F103-W136 HydrophobicContact CZ-CZ3 3.66Å; W136-C144 VanDerWaalsContact CE3-O 3.3Å; W136-C144 VanDerWaalsContact CZ3-C 3.48Å; W136-L145 HydrophobicContact CE3-CB 4.22Å; W136-L145 HydrophobicContact CE3-CD1 4.28Å; W136-L145 HydrophobicContact CZ3-CB 4.39Å; W136-L159 HydrophobicContact CH2-CD1 3.59Å; W136-L159 HydrophobicContact CH2-CG 3.93Å; W136-L159 HydrophobicContact CZ3-CD1 3.91Å; W136-L159 HydrophobicContact CZ3-CD2 4.16Å; W136-L159 HydrophobicContact CZ3-CG 4.02Å |
| 137 | V | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 111.5 | 176.3 | -178.3 | 0 | 0 | 0 | 0 | 107 | N135 T139 Y142 S143 C144 A146 V180 L199 | N135-V137 PolarHBondContact O-N 3.37Å; V137-T139 HydrophobicContact CG1-CG2 3.82Å; V137-Y142 HydrophobicContact CG1-CE2 3.97Å; V137-S143 CarbonylContact O-C 3.54Å; V137-S143 WeakPolarHBondContact O-CA 3.17Å; V137-C144 WeakPolarHBondContact CA-O 3.24Å; V137-C144 WeakPolarHBondContact CB-O 3.2Å; V137-C144 PolarHBondContact N-O 2.85Å; V137-C144 PolarHBondContact O-N 2.95Å; V137-A146 HydrophobicContact CG2-CB 3.82Å; V137-V180 HydrophobicContact CG2-CG1 4.12Å; V137-V180 HydrophobicContact CG2-CG2 4.28Å; V137-L199 HydrophobicContact CG1-CD1 3.91Å |
| 138 | H | 95.2 | Very high | 97 | Very high | 94 Ų | 94 | 35.4 Ų | 35.4 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.8 | 169.9 | -176.4 | 97.8 | 0 | 0 | 0 | 109.2 | D97 S143 | D97-H138 HydrophobicContact CB-CB 4.43Å; D97-H138 IonicContact OD1-ND1 3.7Å; D97-H138 IonicContact OD2-CE1 3.67Å; D97-H138 PolarHBondContact OD2-CE1 2.74Å; D97-H138 VanDerWaalsContact OD2-CE1 3.24Å; D97-H138 IonicContact OD2-CG 3.82Å; D97-H138 IonicContact OD2-ND1 3.22Å; D97-H138 PolarHBondContact OD2-ND1 2.76Å; H138-S143 PolarHBondContact ND1-OG 3.13Å |
| 139 | T | 94.2 | Very high | 97 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | trans | -127 | 165.5 | 174.7 | 81.5 | 0 | 0 | 0 | 0 | 109.3 | V137 N141 Y142 Y182 | V137-T139 HydrophobicContact CG1-CG2 3.82Å; T139-N141 PolarHBondContact O-N 3.02Å; T139-N141 VanDerWaalsContact O-N 3.14Å; T139-N141 PolarHBondContact OG1-N 3.41Å; T139-Y142 HydrophobicContact CG2-CD1 4.18Å; T139-Y142 HydrophobicContact CG2-CD2 4.38Å; T139-Y142 HydrophobicContact CG2-CE1 3.63Å; T139-Y142 HydrophobicContact CG2-CE2 3.87Å; T139-Y142 VanDerWaalsContact CG2-CZ 3.46Å; T139-Y142 PolarHBondContact N-O 3.47Å; T139-Y142 WeakPolarHBondContact OG1-CD1 3.24Å; T139-Y142 WeakPolarHBondContact OG1-CE1 3.28Å; T139-Y142 PolarHBondContact OG1-N 2.96Å; T139-Y142 PolarHBondContact OG1-O 3.06Å; T139-Y182 HydrophobicContact CG2-CD2 3.59Å; T139-Y182 HydrophobicContact CG2-CE2 3.7Å | ||
| 140 | P | 93.1 | Very high | 97 | Very high | 97 Ų | 97 | 29.3 Ų | 29.3 | 63% | 0.63 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -58.5 | -24.7 | 175.1 | -26.2 | 35.7 | 0 | 0 | 0 | 114.9 | Y182 | P140-Y182 VanDerWaalsContact CD-CZ 3.49Å; P140-Y182 WeakPolarHBondContact CD-OH 3.4Å; P140-Y182 HydrophobicContact CG-CE1 4.4Å |
| 141 | N | 89.2 | Confident | 97 | Very high | 136 Ų | 136 | 29.7 Ų | 29.7 | 73% | 0.727 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -107.8 | -23.4 | -171.8 | -63.3 | -28.8 | 0 | 0 | 0 | 113.6 | T139 | T139-N141 PolarHBondContact O-N 3.02Å; T139-N141 VanDerWaalsContact O-N 3.14Å; T139-N141 PolarHBondContact OG1-N 3.41Å |
| 142 | Y | 91.9 | Very high | 97 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 18% | 0.176 | 17% | 0.17 | C | C | . | . | trans | -156.5 | 157.5 | -177.8 | 70.6 | -89 | 0 | 0 | 0 | 111.4 | V137 T139 C144 L199 G201 | V137-Y142 HydrophobicContact CG1-CE2 3.97Å; T139-Y142 HydrophobicContact CG2-CD1 4.18Å; T139-Y142 HydrophobicContact CG2-CD2 4.38Å; T139-Y142 HydrophobicContact CG2-CE1 3.63Å; T139-Y142 HydrophobicContact CG2-CE2 3.87Å; T139-Y142 VanDerWaalsContact CG2-CZ 3.46Å; T139-Y142 PolarHBondContact N-O 3.47Å; T139-Y142 WeakPolarHBondContact OG1-CD1 3.24Å; T139-Y142 WeakPolarHBondContact OG1-CE1 3.28Å; T139-Y142 PolarHBondContact OG1-N 2.96Å; T139-Y142 PolarHBondContact OG1-O 3.06Å; Y142-C144 HydrophobicContact CD2-CB 4.4Å; Y142-L199 PolarHBondContact OH-O 2.77Å; Y142-G201 WeakPolarHBondContact CE1-O 3.21Å | ||
| 143 | S | 95.2 | Very high | 97 | Very high | 40 Ų | 40 | 34.2 Ų | 34.2 | 28% | 0.28 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 138.3 | 165.7 | -42.5 | 0 | 0 | 0 | 0 | 109.8 | V137 H138 | V137-S143 CarbonylContact O-C 3.54Å; V137-S143 WeakPolarHBondContact O-CA 3.17Å; H138-S143 PolarHBondContact ND1-OG 3.13Å |
| 144 | C | 96.6 | Very high | 97 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.034 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 166 | 179.2 | 68.8 | 0 | 0 | 0 | 0 | 110.8 | W136 V137 Y142 W157 | W136-C144 VanDerWaalsContact CE3-O 3.3Å; W136-C144 VanDerWaalsContact CZ3-C 3.48Å; V137-C144 WeakPolarHBondContact CA-O 3.24Å; V137-C144 WeakPolarHBondContact CB-O 3.2Å; V137-C144 PolarHBondContact N-O 2.85Å; V137-C144 PolarHBondContact O-N 2.95Å; Y142-C144 HydrophobicContact CD2-CB 4.4Å; C144-W157 CarbonylContact C-O 3.55Å; C144-W157 VanDerWaalsContact CA-O 3.23Å; C144-W157 WeakPolarHBondContact CA-O 3.22Å; C144-W157 WeakPolarHBondContact CB-O 3.28Å |
| 145 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 125.1 | 169.4 | -171.4 | 73.8 | 0 | 0 | 0 | 109.6 | F103 V111 L124 C134 W136 T147 F156 W157 | F103-L145 HydrophobicContact CB-CD1 3.78Å; F103-L145 HydrophobicContact CB-CD2 3.7Å; F103-L145 HydrophobicContact CB-CG 4.4Å; F103-L145 HydrophobicContact CD1-CD1 4.4Å; F103-L145 HydrophobicContact CD1-CD2 3.87Å; F103-L145 HydrophobicContact CD2-CD1 3.65Å; F103-L145 HydrophobicContact CE2-CD1 4.34Å; F103-L145 HydrophobicContact CG-CD1 3.67Å; F103-L145 HydrophobicContact CG-CD2 3.79Å; F103-L145 HydrophobicContact CG-CG 4.29Å; V111-L145 HydrophobicContact CG1-CD2 3.52Å; L124-L145 HydrophobicContact CD2-CB 4.15Å; L124-L145 HydrophobicContact CD2-CD2 3.7Å; C134-L145 HydrophobicContact CB-CD1 4.13Å; C134-L145 HydrophobicContact CB-CD2 4.17Å; C134-L145 HydrophobicContact CB-CG 4.32Å; W136-L145 HydrophobicContact CE3-CB 4.22Å; W136-L145 HydrophobicContact CE3-CD1 4.28Å; W136-L145 HydrophobicContact CZ3-CB 4.39Å; L145-T147 HydrophobicContact CD2-CG2 3.75Å; L145-T147 HydrophobicContact CG-CG2 4Å; L145-F156 CarbonylContact O-C 3.59Å; L145-F156 WeakPolarHBondContact O-CA 3.37Å; L145-W157 HydrophobicContact CB-CB 4.32Å; L145-W157 PolarHBondContact N-O 3.11Å; L145-W157 VanDerWaalsContact O-CD1 3.26Å; L145-W157 PolarHBondContact O-N 3.46Å |
| 146 | A | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | C134 N135 V137 K155 F156 | C134-A146 CarbonylContact C-O 3.54Å; C134-A146 VanDerWaalsContact CA-O 3.31Å; C134-A146 WeakPolarHBondContact CA-O 3.24Å; N135-A146 PolarHBondContact N-O 2.77Å; N135-A146 PolarHBondContact O-N 3.21Å; V137-A146 HydrophobicContact CG2-CB 3.82Å; A146-K155 CarbonylContact C-O 3.59Å; A146-K155 WeakPolarHBondContact CA-O 2.97Å; A146-F156 HydrophobicContact CB-CD1 3.81Å; A146-F156 HydrophobicContact CB-CE1 3.67Å |
| 147 | T | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130 | 178.6 | 60 | 0 | 0 | 0 | 0 | 112.7 | V111 H127 V131 T133 C134 L145 L154 K155 W157 | V111-T147 HydrophobicContact CB-CG2 4.49Å; V111-T147 HydrophobicContact CG1-CG2 3.78Å; V111-T147 HydrophobicContact CG2-CG2 3.85Å; H127-T147 PolarHBondContact NE2-OG1 2.9Å; V131-T147 HydrophobicContact CG1-CG2 4.38Å; T133-T147 WeakPolarHBondContact O-CA 3.31Å; T133-T147 WeakPolarHBondContact O-CB 3.42Å; C134-T147 HydrophobicContact CB-CG2 3.93Å; L145-T147 HydrophobicContact CD2-CG2 3.75Å; L145-T147 HydrophobicContact CG-CG2 4Å; T147-L154 CarbonylContact O-C 3.52Å; T147-L154 WeakPolarHBondContact O-CA 3.45Å; T147-K155 PolarHBondContact N-O 2.76Å; T147-K155 PolarHBondContact O-N 2.88Å; T147-W157 PolarHBondContact OG1-NE1 2.89Å |
| 148 | G | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K132 T133 | K132-G148 PolarHBondContact N-O 2.88Å; T133-G148 PolarHBondContact N-O 3.25Å; T133-G148 VanDerWaalsContact N-O 3.1Å; T133-G148 PolarHBondContact O-N 2.81Å; T133-G148 VanDerWaalsContact O-N 3.08Å; T133-G148 WeakPolarHBondContact OG1-CA 3.45Å; T133-G148 PolarHBondContact OG1-N 2.87Å; T133-G148 VanDerWaalsContact OG1-N 3.09Å |
| 149 | S | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 162.9 | -176.9 | 169.9 | 0 | 0 | 0 | 0 | 113.3 | H127 Q129 P130 D151 K152 T153 V175 | H127-S149 VanDerWaalsContact CG-CB 3.5Å; H127-S149 WeakPolarHBondContact ND1-CB 3.45Å; Q129-S149 PolarHBondContact O-OG 2.9Å; P130-S149 WeakPolarHBondContact O-CA 3.37Å; P130-S149 PolarHBondContact O-OG 2.93Å; S149-D151 WeakPolarHBondContact CB-OD1 3.41Å; S149-D151 PolarHBondContact O-N 2.79Å; S149-D151 VanDerWaalsContact OG-CG 3.29Å; S149-D151 PolarHBondContact OG-N 3.22Å; S149-D151 PolarHBondContact OG-OD1 3.42Å; S149-K152 PolarHBondContact O-N 3.03Å; S149-T153 PolarHBondContact N-O 2.88Å; S149-T153 VanDerWaalsContact N-O 3.11Å; S149-V175 PolarHBondContact O-N 3.06Å |
| 150 | W | 98.6 | Very high | 96.5 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 36% | 0.36 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -1.5 | 168.1 | -62 | -7.7 | 0 | 0 | 0 | 113.6 | Q129 P130 K152 R174 Y176 | Q129-W150 HydrophobicContact CB-CB 4.04Å; P130-W150 HydrophobicContact CB-CD2 4.17Å; P130-W150 HydrophobicContact CB-CE3 3.76Å; P130-W150 HydrophobicContact CB-CZ3 4.08Å; P130-W150 HydrophobicContact CG-CE3 3.74Å; P130-W150 HydrophobicContact CG-CZ3 3.98Å; P130-W150 PolarHBondContact O-N 2.7Å; P130-W150 VanDerWaalsContact O-N 3.12Å; W150-K152 PolarHBondContact O-N 2.92Å; W150-R174 HydrophobicContact CB-CB 4.25Å; W150-R174 HydrophobicContact CB-CG 3.99Å; W150-R174 HydrophobicContact CG-CB 4.3Å; W150-R174 HydrophobicContact CG-CG 4.4Å; W150-R174 WeakPolarHBondContact O-CG 3.04Å; W150-Y176 AromaticContact NE1-CD1 3.76Å; W150-Y176 AromaticContact NE1-CE1 3.76Å |
| 151 | D | 98.7 | Very high | 96.3 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 3.3 | 167.2 | 67.8 | 7.2 | 0 | 0 | 0 | 111.9 | H127 D128 Q129 S149 T153 | H127-D151 WeakPolarHBondContact CB-OD2 3.45Å; H127-D151 IonicContact CE1-OD2 2.7Å; H127-D151 IonicContact CG-OD2 2.81Å; H127-D151 IonicContact ND1-OD1 3.7Å; H127-D151 PolarHBondContact ND1-OD1 2.94Å; H127-D151 IonicContact ND1-OD2 3.37Å; H127-D151 PolarHBondContact ND1-OD2 2.95Å; D128-D151 HydrophobicContact CB-CB 4.11Å; D128-D151 PolarHBondContact N-OD2 3.36Å; Q129-D151 HydrophobicContact CB-CB 3.86Å; Q129-D151 HydrophobicContact CG-CB 4.02Å; S149-D151 WeakPolarHBondContact CB-OD1 3.41Å; S149-D151 PolarHBondContact O-N 2.79Å; S149-D151 VanDerWaalsContact OG-CG 3.29Å; S149-D151 PolarHBondContact OG-N 3.22Å; S149-D151 PolarHBondContact OG-OD1 3.42Å; D151-T153 VanDerWaalsContact C-N 3.32Å; D151-T153 VanDerWaalsContact CG-OG1 3.23Å; D151-T153 WeakPolarHBondContact OD1-CB 3.35Å; D151-T153 PolarHBondContact OD1-N 2.94Å; D151-T153 PolarHBondContact OD1-OG1 3.46Å; D151-T153 PolarHBondContact OD2-OG1 3.07Å |
| 152 | K | 98.7 | Very high | 95.9 | Very high | 94 Ų | 94 | 38.2 Ų | 38.2 | 41% | 0.409 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 65.3 | 34.9 | -177.9 | -42.1 | -176.9 | 173.5 | -173.9 | 0 | 112.4 | S149 W150 M171 R174 | S149-K152 PolarHBondContact O-N 3.03Å; W150-K152 PolarHBondContact O-N 2.92Å; K152-M171 HydrophobicContact CB-CB 4.43Å; K152-M171 WeakPolarHBondContact CB-O 3.44Å; K152-M171 WeakPolarHBondContact O-CA 3.42Å; K152-M171 WeakPolarHBondContact O-CB 3.38Å; K152-M171 PolarHBondContact O-N 3.47Å; K152-R174 HydrophobicContact CG-CG 4.36Å |
| 153 | T | 98.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 41.3 Ų | 41.3 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 148.4 | 172.1 | 71.6 | 0 | 0 | 0 | 0 | 112.2 | H127 S149 D151 T168 L169 | H127-T153 PolarHBondContact CE1-OG1 3.14Å; H127-T153 PolarHBondContact ND1-OG1 3.27Å; H127-T153 VanDerWaalsContact ND1-OG1 3.09Å; S149-T153 PolarHBondContact N-O 2.88Å; S149-T153 VanDerWaalsContact N-O 3.11Å; D151-T153 VanDerWaalsContact C-N 3.32Å; D151-T153 VanDerWaalsContact CG-OG1 3.23Å; D151-T153 WeakPolarHBondContact OD1-CB 3.35Å; D151-T153 PolarHBondContact OD1-N 2.94Å; D151-T153 PolarHBondContact OD1-OG1 3.46Å; D151-T153 PolarHBondContact OD2-OG1 3.07Å; T153-T168 HydrophobicContact CG2-CG2 4.2Å; T153-L169 WeakPolarHBondContact CA-O 3.41Å |
| 154 | L | 98.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 112.7 | 160.9 | -175.3 | 69.8 | 0 | 0 | 0 | 107.2 | T147 F156 L169 M171 V178 V187 | T147-L154 CarbonylContact O-C 3.52Å; T147-L154 WeakPolarHBondContact O-CA 3.45Å; L154-F156 HydrophobicContact CD2-CE2 4.1Å; L154-F156 HydrophobicContact CD2-CZ 3.67Å; L154-F156 HydrophobicContact CG-CE2 4.06Å; L154-F156 HydrophobicContact CG-CZ 3.97Å; L154-L169 HydrophobicContact CB-CB 4.38Å; L154-L169 HydrophobicContact CD2-CD1 4.39Å; L154-L169 PolarHBondContact N-O 2.8Å; L154-L169 PolarHBondContact O-N 3.31Å; L154-M171 HydrophobicContact CB-CE 3.98Å; L154-V178 HydrophobicContact CD1-CG2 4.03Å; L154-V187 HydrophobicContact CD2-CG2 3.98Å |
| 155 | K | 98.7 | Very high | 95.6 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 149.1 | -179.9 | -67.1 | -175.4 | -172.4 | -178.9 | 0 | 110.6 | Q126 H127 A146 T147 W157 P165 G167 T168 | Q126-K155 PolarHBondContact O-NZ 3.01Å; H127-K155 VanDerWaalsContact CE1-CD 3.46Å; H127-K155 WeakPolarHBondContact CE1-CD 3.31Å; H127-K155 VanDerWaalsContact CE1-CG 3.47Å; H127-K155 WeakPolarHBondContact CE1-CG 3.34Å; A146-K155 CarbonylContact C-O 3.59Å; A146-K155 WeakPolarHBondContact CA-O 2.97Å; T147-K155 PolarHBondContact N-O 2.76Å; T147-K155 PolarHBondContact O-N 2.88Å; K155-W157 HydrophobicContact CB-CZ2 3.85Å; K155-W157 HydrophobicContact CD-CH2 3.91Å; K155-W157 HydrophobicContact CD-CZ2 3.59Å; K155-W157 HydrophobicContact CG-CZ2 4.36Å; K155-P165 HydrophobicContact CB-CB 4.23Å; K155-P165 HydrophobicContact CD-CB 4.4Å; K155-P165 HydrophobicContact CD-CG 4.42Å; K155-P165 HydrophobicContact CG-CB 4.46Å; K155-G167 WeakPolarHBondContact CA-O 3.36Å; K155-T168 HydrophobicContact CG-CG2 4.04Å |
| 156 | F | 97.8 | Very high | 95.4 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.3 | 177.7 | -61.6 | -91.6 | 0 | 0 | 0 | 109.4 | L145 A146 L154 P165 A166 G167 L169 P203 | L145-F156 CarbonylContact O-C 3.59Å; L145-F156 WeakPolarHBondContact O-CA 3.37Å; A146-F156 HydrophobicContact CB-CD1 3.81Å; A146-F156 HydrophobicContact CB-CE1 3.67Å; L154-F156 HydrophobicContact CD2-CE2 4.1Å; L154-F156 HydrophobicContact CD2-CZ 3.67Å; L154-F156 HydrophobicContact CG-CE2 4.06Å; L154-F156 HydrophobicContact CG-CZ 3.97Å; F156-P165 CarbonylContact O-C 3.55Å; F156-P165 VanDerWaalsContact O-CA 3.31Å; F156-P165 WeakPolarHBondContact O-CA 3.26Å; F156-A166 PolarHBondContact O-N 3.26Å; F156-G167 PolarHBondContact N-O 2.91Å; F156-L169 HydrophobicContact CE2-CD1 3.93Å; F156-L169 HydrophobicContact CE2-CG 4.08Å; F156-L169 HydrophobicContact CZ-CD1 4.34Å; F156-P203 HydrophobicContact CD1-CG 4.18Å; F156-P203 HydrophobicContact CD2-CG 4.34Å; F156-P203 HydrophobicContact CE1-CB 4.44Å; F156-P203 HydrophobicContact CE1-CG 3.59Å; F156-P203 HydrophobicContact CE2-CB 4.28Å; F156-P203 HydrophobicContact CE2-CG 3.79Å; F156-P203 HydrophobicContact CZ-CB 3.85Å; F156-P203 HydrophobicContact CZ-CG 3.37Å |
| 157 | W | 97.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 114.1 | -174 | -50.1 | 94.2 | 0 | 0 | 0 | 110.8 | V111 L124 C144 L145 T147 K155 P165 | V111-W157 HydrophobicContact CG2-CZ2 4.39Å; L124-W157 HydrophobicContact CD1-CB 4.33Å; L124-W157 HydrophobicContact CD2-CB 3.84Å; L124-W157 HydrophobicContact CD2-CG 4.26Å; L124-W157 HydrophobicContact CG-CB 3.94Å; L124-W157 HydrophobicContact CG-CG 4.25Å; C144-W157 CarbonylContact C-O 3.55Å; C144-W157 VanDerWaalsContact CA-O 3.23Å; C144-W157 WeakPolarHBondContact CA-O 3.22Å; C144-W157 WeakPolarHBondContact CB-O 3.28Å; L145-W157 HydrophobicContact CB-CB 4.32Å; L145-W157 PolarHBondContact N-O 3.11Å; L145-W157 VanDerWaalsContact O-CD1 3.26Å; L145-W157 PolarHBondContact O-N 3.46Å; T147-W157 PolarHBondContact OG1-NE1 2.89Å; K155-W157 HydrophobicContact CB-CZ2 3.85Å; K155-W157 HydrophobicContact CD-CH2 3.91Å; K155-W157 HydrophobicContact CD-CZ2 3.59Å; K155-W157 HydrophobicContact CG-CZ2 4.36Å; W157-P165 HydrophobicContact CE3-CB 4.11Å; W157-P165 HydrophobicContact CH2-CB 4.2Å; W157-P165 HydrophobicContact CH2-CG 4.45Å; W157-P165 HydrophobicContact CZ3-CB 3.94Å; W157-P165 HydrophobicContact CZ3-CG 4.3Å |
| 158 | D | 94.2 | Very high | 95.2 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | trans | -80.9 | 127.3 | 166.8 | -173.3 | -33.5 | 0 | 0 | 0 | 108.7 | R160 T161 A166 | D158-R160 PolarHBondContact O-N 2.76Å; D158-R160 VanDerWaalsContact O-N 3.13Å; D158-R160 VanDerWaalsContact OD1-CB 3.25Å; D158-R160 WeakPolarHBondContact OD1-CB 3.48Å; D158-R160 WeakPolarHBondContact OD1-CG 3.38Å; D158-R160 IonicContact OD1-CZ 3.3Å; D158-R160 PolarHBondContact OD1-N 3.02Å; D158-R160 IonicContact OD1-NE 3.12Å; D158-R160 PolarHBondContact OD1-NE 2.81Å; D158-R160 IonicContact OD2-CZ 2.61Å; D158-R160 VanDerWaalsContact OD2-CZ 3.3Å; D158-R160 IonicContact OD2-NE 2.67Å; D158-R160 PolarHBondContact OD2-NE 2.85Å; D158-R160 VanDerWaalsContact OD2-NE 3.12Å; D158-R160 IonicContact OD2-NH2 3.96Å; D158-R160 PolarHBondContact OD2-NH2 3.4Å; D158-T161 CarbonylContact O-C 3.57Å; D158-T161 PolarHBondContact O-N 2.87Å; D158-T161 VanDerWaalsContact O-N 3.07Å; D158-T161 PolarHBondContact O-OG1 2.84Å; D158-A166 HydrophobicContact CB-CB 4.2Å | ||
| 159 | L | 93.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 56 Ų | 56 | 29% | 0.293 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -17 | -177.2 | -55.1 | -173.7 | 0 | 0 | 0 | 113.1 | K101 F103 L124 W136 T161 | K101-L159 HydrophobicContact CD-CD1 4.07Å; F103-L159 HydrophobicContact CE1-CD1 4.36Å; F103-L159 HydrophobicContact CE1-CD2 3.63Å; F103-L159 HydrophobicContact CZ-CD1 3.9Å; F103-L159 HydrophobicContact CZ-CD2 3.89Å; L124-L159 HydrophobicContact CD1-CD2 3.74Å; L124-L159 HydrophobicContact CD2-CD2 3.82Å; L124-L159 HydrophobicContact CG-CD2 4.46Å; W136-L159 HydrophobicContact CH2-CD1 3.59Å; W136-L159 HydrophobicContact CH2-CG 3.93Å; W136-L159 HydrophobicContact CZ3-CD1 3.91Å; W136-L159 HydrophobicContact CZ3-CD2 4.16Å; W136-L159 HydrophobicContact CZ3-CG 4.02Å; L159-T161 VanDerWaalsContact C-N 3.34Å |
| 160 | R | 91.3 | Very high | 95.2 | Very high | 201 Ų | 201 | 60 Ų | 60 | 76% | 0.758 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -17.3 | 177.4 | -57.5 | 173.4 | -65.8 | 175 | 1.7 | 112.5 | D158 | D158-R160 PolarHBondContact O-N 2.76Å; D158-R160 VanDerWaalsContact O-N 3.13Å; D158-R160 VanDerWaalsContact OD1-CB 3.25Å; D158-R160 WeakPolarHBondContact OD1-CB 3.48Å; D158-R160 WeakPolarHBondContact OD1-CG 3.38Å; D158-R160 IonicContact OD1-CZ 3.3Å; D158-R160 PolarHBondContact OD1-N 3.02Å; D158-R160 IonicContact OD1-NE 3.12Å; D158-R160 PolarHBondContact OD1-NE 2.81Å; D158-R160 IonicContact OD2-CZ 2.61Å; D158-R160 VanDerWaalsContact OD2-CZ 3.3Å; D158-R160 IonicContact OD2-NE 2.67Å; D158-R160 PolarHBondContact OD2-NE 2.85Å; D158-R160 VanDerWaalsContact OD2-NE 3.12Å; D158-R160 IonicContact OD2-NH2 3.96Å; D158-R160 PolarHBondContact OD2-NH2 3.4Å |
| 161 | T | 88.5 | Confident | 95.2 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 41% | 0.411 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -127.5 | 73 | -179.5 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | D158 L159 | D158-T161 CarbonylContact O-C 3.57Å; D158-T161 PolarHBondContact O-N 2.87Å; D158-T161 VanDerWaalsContact O-N 3.07Å; D158-T161 PolarHBondContact O-OG1 2.84Å; L159-T161 VanDerWaalsContact C-N 3.34Å |
| 162 | P | 80.6 | Confident | 95.1 | Very high | 71 Ų | 71 | 58.3 Ų | 58.3 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 152.4 | 179.6 | -22.9 | 33.6 | 0 | 0 | 0 | 113.1 | T164 | P162-T164 PolarHBondContact O-N 3.15Š|
| 163 | N | 87 | Confident | 95.1 | Very high | 109 Ų | 109 | 55.5 Ų | 55.5 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -5 | 176.8 | -52.7 | -53.5 | 0 | 0 | 0 | 116.6 | L124 | L124-N163 PolarHBondContact O-N 3.41Š|
| 164 | T | 94 | Very high | 95.1 | Very high | 92 Ų | 92 | 59.1 Ų | 59.1 | 56% | 0.564 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -121.3 | 119.3 | 174.2 | -55.2 | 0 | 0 | 0 | 0 | 109.2 | P162 A166 | P162-T164 PolarHBondContact O-N 3.15Å; T164-A166 PolarHBondContact O-N 2.98Å |
| 165 | P | 96.6 | Very high | 95.1 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 26% | 0.26 | 34% | 0.337 | S | S | . | . | trans | -67.6 | 133.7 | 177 | 28.3 | -32.6 | 0 | 0 | 0 | 109.8 | K155 F156 W157 G167 | K155-P165 HydrophobicContact CB-CB 4.23Å; K155-P165 HydrophobicContact CD-CB 4.4Å; K155-P165 HydrophobicContact CD-CG 4.42Å; K155-P165 HydrophobicContact CG-CB 4.46Å; F156-P165 CarbonylContact O-C 3.55Å; F156-P165 VanDerWaalsContact O-CA 3.31Å; F156-P165 WeakPolarHBondContact O-CA 3.26Å; W157-P165 HydrophobicContact CE3-CB 4.11Å; W157-P165 HydrophobicContact CH2-CB 4.2Å; W157-P165 HydrophobicContact CH2-CG 4.45Å; W157-P165 HydrophobicContact CZ3-CB 3.94Å; W157-P165 HydrophobicContact CZ3-CG 4.3Å; P165-G167 PolarHBondContact O-N 3.14Å | ||
| 166 | A | 94.8 | Very high | 95 | Very high | 72 Ų | 72 | 59.2 Ų | 59.2 | 60% | 0.595 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -65.5 | -23.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F156 D158 T164 | F156-A166 PolarHBondContact O-N 3.26Å; D158-A166 HydrophobicContact CB-CB 4.2Å; T164-A166 PolarHBondContact O-N 2.98Å |
| 167 | G | 95.6 | Very high | 95.1 | Very high | 28 Ų | 28 | 59.4 Ų | 59.4 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 152.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | K155 F156 P165 | K155-G167 WeakPolarHBondContact CA-O 3.36Å; F156-G167 PolarHBondContact N-O 2.91Å; P165-G167 PolarHBondContact O-N 3.14Å |
| 168 | T | 98.3 | Very high | 95.1 | Very high | 72 Ų | 72 | 60 Ų | 60 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 128.8 | 175.1 | -61 | 0 | 0 | 0 | 0 | 109.4 | T153 K155 | T153-T168 HydrophobicContact CG2-CG2 4.2Å; K155-T168 HydrophobicContact CG-CG2 4.04Å |
| 169 | L | 98.5 | Very high | 95.4 | Very high | 51 Ų | 51 | 60.5 Ų | 60.5 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.4 | 172.2 | -59.1 | 178.1 | 0 | 0 | 0 | 109.4 | T153 L154 F156 M171 Y197 P203 | T153-L169 WeakPolarHBondContact CA-O 3.41Å; L154-L169 HydrophobicContact CB-CB 4.38Å; L154-L169 HydrophobicContact CD2-CD1 4.39Å; L154-L169 PolarHBondContact N-O 2.8Å; L154-L169 PolarHBondContact O-N 3.31Å; F156-L169 HydrophobicContact CE2-CD1 3.93Å; F156-L169 HydrophobicContact CE2-CG 4.08Å; F156-L169 HydrophobicContact CZ-CD1 4.34Å; L169-M171 HydrophobicContact CB-CE 3.39Å; L169-M171 HydrophobicContact CD1-CE 4.33Å; L169-Y197 HydrophobicContact CD1-CD1 4.29Å; L169-Y197 HydrophobicContact CD1-CE1 3.69Å; L169-P203 HydrophobicContact CD1-CB 4.17Å |
| 170 | A | 98.5 | Very high | 95.6 | Very high | 86 Ų | 86 | 59 Ų | 59 | 71% | 0.711 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 171 | M | 98.3 | Very high | 95.9 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 6% | 0.064 | 32% | 0.315 | C | S | . | . | trans | -111.1 | 145.7 | 179.1 | -61.5 | -65.6 | 132.4 | 0 | 0 | 110.2 | K152 L154 L169 D173 V175 L189 K195 | K152-M171 HydrophobicContact CB-CB 4.43Å; K152-M171 WeakPolarHBondContact CB-O 3.44Å; K152-M171 WeakPolarHBondContact O-CA 3.42Å; K152-M171 WeakPolarHBondContact O-CB 3.38Å; K152-M171 PolarHBondContact O-N 3.47Å; L154-M171 HydrophobicContact CB-CE 3.98Å; L169-M171 HydrophobicContact CB-CE 3.39Å; L169-M171 HydrophobicContact CD1-CE 4.33Å; M171-D173 VanDerWaalsContact CB-O 3.29Å; M171-D173 WeakPolarHBondContact CB-O 3.46Å; M171-D173 PolarHBondContact O-N 2.86Å; M171-V175 HydrophobicContact CB-CG2 4.36Å; M171-V175 HydrophobicContact CG-CG2 3.77Å; M171-L189 HydrophobicContact CB-CD1 4.18Å; M171-L189 HydrophobicContact CB-CD2 4.06Å; M171-L189 HydrophobicContact CG-CD2 4.14Å; M171-L189 HydrophobicContact SD-CD2 4.28Å; M171-K195 HydrophobicContact SD-CD 4.15Å | ||
| 172 | P | 97.6 | Very high | 96.3 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -60.5 | -28.2 | 175.5 | -26 | 34.5 | 0 | 0 | 0 | 114.1 | L189 | P172-L189 HydrophobicContact CG-CD1 4.44Š|
| 173 | D | 98.3 | Very high | 97.1 | Very high | 35 Ų | 35 | 50.7 Ų | 50.7 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -146.9 | 176.9 | 179.3 | -150.1 | -26.6 | 0 | 0 | 0 | 110.4 | M171 L189 N191 | M171-D173 VanDerWaalsContact CB-O 3.29Å; M171-D173 WeakPolarHBondContact CB-O 3.46Å; M171-D173 PolarHBondContact O-N 2.86Å; D173-L189 HydrophobicContact CB-CB 4.39Å; D173-N191 HydrophobicContact CB-CB 4.17Å; D173-N191 WeakPolarHBondContact OD2-CB 3.34Å |
| 174 | R | 98.6 | Very high | 97.6 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 38% | 0.377 | 28% | 0.275 | S | S | . | . | trans | -57.1 | 136.2 | -178.9 | -61.6 | 177.7 | -73.3 | -165.1 | -2.4 | 110.4 | W150 K152 Y176 L189 A190 | W150-R174 HydrophobicContact CB-CB 4.25Å; W150-R174 HydrophobicContact CB-CG 3.99Å; W150-R174 HydrophobicContact CG-CB 4.3Å; W150-R174 HydrophobicContact CG-CG 4.4Å; W150-R174 WeakPolarHBondContact O-CG 3.04Å; K152-R174 HydrophobicContact CG-CG 4.36Å; R174-Y176 HydrophobicContact CB-CD1 4.22Å; R174-Y176 HydrophobicContact CB-CE1 3.92Å; R174-Y176 PolarHBondContact NH2-OH 2.91Å; R174-Y176 PolarHBondContact O-N 3.3Å; R174-L189 CarbonylContact O-C 3.59Å; R174-L189 VanDerWaalsContact O-CA 3.29Å; R174-L189 WeakPolarHBondContact O-CA 3.37Å; R174-A190 HydrophobicContact CB-CB 4.02Å; R174-A190 PolarHBondContact O-N 3.36Å | ||
| 175 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 122 | 174 | -176.7 | 0 | 0 | 0 | 0 | 109 | S149 M171 V178 V187 L189 | S149-V175 PolarHBondContact O-N 3.06Å; M171-V175 HydrophobicContact CB-CG2 4.36Å; M171-V175 HydrophobicContact CG-CG2 3.77Å; V175-V178 HydrophobicContact CG1-CG2 3.47Å; V175-V178 VanDerWaalsContact CG1-CG2 3.47Å; V175-V187 HydrophobicContact CG1-CG1 4.01Å; V175-V187 HydrophobicContact CG2-CG1 4.48Å; V175-L189 HydrophobicContact CB-CD2 4.34Å; V175-L189 HydrophobicContact CG2-CD2 3.85Å |
| 176 | Y | 97.7 | Very high | 98 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -41.6 | 179.2 | -81.4 | 5.5 | 0 | 0 | 0 | 112.5 | K132 W150 R174 C188 A190 Q216 | K132-Y176 WeakPolarHBondContact CG-O 3.19Å; W150-Y176 AromaticContact NE1-CD1 3.76Å; W150-Y176 AromaticContact NE1-CE1 3.76Å; R174-Y176 HydrophobicContact CB-CD1 4.22Å; R174-Y176 HydrophobicContact CB-CE1 3.92Å; R174-Y176 PolarHBondContact NH2-OH 2.91Å; R174-Y176 PolarHBondContact O-N 3.3Å; Y176-C188 PolarHBondContact N-O 2.81Å; Y176-A190 HydrophobicContact CD1-CB 4.04Å; Y176-A190 HydrophobicContact CD2-CB 4.07Å; Y176-A190 HydrophobicContact CE1-CB 3.54Å; Y176-A190 VanDerWaalsContact CE2-CA 3.46Å; Y176-A190 HydrophobicContact CE2-CB 3.53Å; Y176-A190 HydrophobicContact CG-CB 4.3Å; Y176-Q216 HydrophobicContact CD2-CG 4.08Å; Y176-Q216 HydrophobicContact CE2-CG 3.8Å |
| 177 | L | 98.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 36.8 Ų | 36.8 | 10% | 0.099 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 141.5 | -176.3 | -48.5 | 163.4 | 0 | 0 | 0 | 109 | V187 C188 R218 L220 | L177-V187 CarbonylContact O-C 3.58Å; L177-V187 WeakPolarHBondContact O-CA 3.35Å; L177-C188 HydrophobicContact CB-CB 3.86Å; L177-C188 HydrophobicContact CD1-CB 4.03Å; L177-C188 HydrophobicContact CG-CB 4.26Å; L177-C188 PolarHBondContact N-O 2.97Å; L177-C188 VanDerWaalsContact N-O 3.14Å; L177-C188 PolarHBondContact O-N 3.26Å; L177-R218 WeakPolarHBondContact CD2-O 3.33Å; L177-L220 HydrophobicContact CB-CB 3.92Å; L177-L220 HydrophobicContact CB-CD2 4.09Å; L177-L220 HydrophobicContact CD1-CB 4.03Å |
| 178 | V | 98.9 | Very high | 98.3 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 9% | 0.085 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 132.8 | 170.5 | 179.9 | 0 | 0 | 0 | 0 | 105.8 | T133 N135 L154 V175 V180 V186 V187 | T133-V178 HydrophobicContact CG2-CB 4.41Å; T133-V178 HydrophobicContact CG2-CG2 4.34Å; T133-V178 WeakPolarHBondContact OG1-CG2 3.38Å; N135-V178 WeakPolarHBondContact ND2-CB 3.45Å; N135-V178 PolarHBondContact ND2-O 2.79Å; N135-V178 PolarHBondContact OD1-O 3.2Å; L154-V178 HydrophobicContact CD1-CG2 4.03Å; V175-V178 HydrophobicContact CG1-CG2 3.47Å; V175-V178 VanDerWaalsContact CG1-CG2 3.47Å; V178-V180 HydrophobicContact CG1-CG2 4.25Å; V178-V186 VanDerWaalsContact CA-O 3.28Å; V178-V186 WeakPolarHBondContact CA-O 3.34Å; V178-V187 HydrophobicContact CG1-CG2 4.39Å; V178-V187 HydrophobicContact CG2-CG1 4.18Å; V178-V187 HydrophobicContact CG2-CG2 4.21Å |
| 179 | D | 98.8 | Very high | 98.3 | Very high | 36 Ų | 36 | 32.2 Ų | 32.2 | 19% | 0.193 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.7 | 167 | -168.5 | 23.3 | 0 | 0 | 0 | 109.5 | A185 V186 L220 A221 I222 | D179-A185 WeakPolarHBondContact O-CA 3.4Å; D179-V186 PolarHBondContact N-O 2.97Å; D179-V186 PolarHBondContact O-N 3.07Å; D179-L220 HydrophobicContact CB-CD2 3.87Å; D179-L220 HydrophobicContact CB-CG 4.02Å; D179-A221 VanDerWaalsContact OD2-CA 3.31Å; D179-A221 WeakPolarHBondContact OD2-CA 3.36Å; D179-I222 HydrophobicContact CB-CD1 4.21Å; D179-I222 HydrophobicContact CB-CG1 4.17Å; D179-I222 WeakPolarHBondContact O-CD1 3.46Å; D179-I222 PolarHBondContact OD2-N 3.17Å |
| 180 | V | 98.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 30.6 Ų | 30.6 | 16% | 0.158 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 125.3 | -173.6 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | N135 V137 V178 A185 L199 | N135-V180 HydrophobicContact CB-CB 4.12Å; N135-V180 HydrophobicContact CB-CG2 3.6Å; V137-V180 HydrophobicContact CG2-CG1 4.12Å; V137-V180 HydrophobicContact CG2-CG2 4.28Å; V178-V180 HydrophobicContact CG1-CG2 4.25Å; V180-A185 HydrophobicContact CG2-CB 4.06Å; V180-L199 HydrophobicContact CG1-CD1 3.89Å |
| 181 | L | 97.5 | Very high | 98 | Very high | 47 Ų | 47 | 29.4 Ų | 29.4 | 25% | 0.246 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 102.4 | 164.7 | 178.2 | 64.5 | 0 | 0 | 0 | 107.3 | M184 I222 K224 P231 | L181-M184 CarbonylContact C-O 3.56Å; L181-M184 VanDerWaalsContact C-O 3.3Å; L181-M184 PolarHBondContact N-O 3.07Å; L181-M184 WeakPolarHBondContact O-CA 3.49Å; L181-M184 PolarHBondContact O-N 2.88Å; L181-I222 HydrophobicContact CB-CB 4.23Å; L181-I222 HydrophobicContact CB-CD1 4.21Å; L181-I222 HydrophobicContact CB-CG2 3.83Å; L181-I222 HydrophobicContact CD2-CG2 3.82Å; L181-I222 HydrophobicContact CG-CG2 4.44Å; L181-K224 HydrophobicContact CD2-CD 4.06Å; L181-K224 HydrophobicContact CD2-CG 3.46Å; L181-K224 VanDerWaalsContact CD2-CG 3.46Å; L181-P231 HydrophobicContact CB-CB 4.47Å; L181-P231 HydrophobicContact CD2-CB 4.01Å; L181-P231 HydrophobicContact CG-CB 4.29Å; L181-P231 WeakPolarHBondContact O-CG 3.29Å |
| 182 | Y | 97 | Very high | 97.9 | Very high | 83 Ų | 83 | 31.1 Ų | 31.1 | 33% | 0.325 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 133.7 | -175.2 | 176.3 | -92.1 | 0 | 0 | 0 | 111.6 | T139 P140 L199 E200 | T139-Y182 HydrophobicContact CG2-CD2 3.59Å; T139-Y182 HydrophobicContact CG2-CE2 3.7Å; P140-Y182 VanDerWaalsContact CD-CZ 3.49Å; P140-Y182 WeakPolarHBondContact CD-OH 3.4Å; P140-Y182 HydrophobicContact CG-CE1 4.4Å; Y182-L199 HydrophobicContact CD2-CB 4.21Å; Y182-E200 HydrophobicContact CE2-CG 4.26Å |
| 183 | P | 96.8 | Very high | 97.9 | Very high | 34 Ų | 34 | 28.7 Ų | 28.7 | 22% | 0.221 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.6 | 8.2 | 6.7 | 33.4 | -36.7 | 0 | 0 | 0 | 116.8 | K198 L199 E200 P231 | P183-K198 CarbonylContact O-C 3.5Å; P183-K198 WeakPolarHBondContact O-CA 3.26Å; P183-L199 PolarHBondContact O-N 2.95Å; P183-E200 HydrophobicContact CB-CG 4.16Å; P183-E200 WeakPolarHBondContact CB-OE1 3.26Å; P183-E200 WeakPolarHBondContact CG-OE1 3.45Å; P183-P231 HydrophobicContact CG-CG 4.47Å |
| 184 | M | 98.4 | Very high | 97.9 | Very high | 15 Ų | 15 | 27 Ų | 27 | 7% | 0.074 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.9 | -171.2 | -167.7 | 169.8 | 78.5 | 0 | 0 | 112.7 | L181 V186 I196 Y197 I222 P231 V248 | L181-M184 CarbonylContact C-O 3.56Å; L181-M184 VanDerWaalsContact C-O 3.3Å; L181-M184 PolarHBondContact N-O 3.07Å; L181-M184 WeakPolarHBondContact O-CA 3.49Å; L181-M184 PolarHBondContact O-N 2.88Å; M184-V186 HydrophobicContact CE-CG2 3.97Å; M184-V186 HydrophobicContact CG-CG2 4.31Å; M184-V186 HydrophobicContact SD-CG2 4.43Å; M184-I196 HydrophobicContact CG-CG2 3.96Å; M184-I196 HydrophobicContact SD-CG2 4.13Å; M184-Y197 WeakPolarHBondContact CA-O 3.23Å; M184-I222 HydrophobicContact CE-CB 4.15Å; M184-I222 HydrophobicContact CE-CD1 3.81Å; M184-I222 HydrophobicContact CE-CG1 3.73Å; M184-I222 HydrophobicContact CE-CG2 3.36Å; M184-P231 HydrophobicContact CB-CB 3.78Å; M184-P231 HydrophobicContact CB-CG 3.69Å; M184-P231 HydrophobicContact CE-CB 3.72Å; M184-P231 HydrophobicContact SD-CB 4.22Å; M184-V248 HydrophobicContact CE-CG2 4.38Å; M184-V248 HydrophobicContact SD-CG2 3.72Å |
| 185 | A | 98.8 | Very high | 97.9 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 5% | 0.05 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144.8 | 159 | 0 | 0 | 0 | 0 | 0 | 110.2 | D179 V180 I196 Y197 L199 | D179-A185 WeakPolarHBondContact O-CA 3.4Å; V180-A185 HydrophobicContact CG2-CB 4.06Å; A185-I196 WeakPolarHBondContact O-CA 3.33Å; A185-Y197 PolarHBondContact N-O 2.94Å; A185-Y197 PolarHBondContact O-N 3.14Å; A185-L199 HydrophobicContact CB-CD1 4.09Å; A185-L199 HydrophobicContact CB-CD2 4.13Å; A185-L199 HydrophobicContact CB-CG 4.33Å |
| 186 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.6 | 174 | -176 | 0 | 0 | 0 | 0 | 108.4 | V178 D179 M184 K195 I196 L220 I222 F234 | V178-V186 VanDerWaalsContact CA-O 3.28Å; V178-V186 WeakPolarHBondContact CA-O 3.34Å; D179-V186 PolarHBondContact N-O 2.97Å; D179-V186 PolarHBondContact O-N 3.07Å; M184-V186 HydrophobicContact CE-CG2 3.97Å; M184-V186 HydrophobicContact CG-CG2 4.31Å; M184-V186 HydrophobicContact SD-CG2 4.43Å; V186-K195 CarbonylContact C-O 3.46Å; V186-K195 WeakPolarHBondContact CA-O 3.42Å; V186-I196 HydrophobicContact CG1-CG1 4.45Å; V186-I196 HydrophobicContact CG2-CG1 4.24Å; V186-L220 HydrophobicContact CB-CD1 4.44Å; V186-L220 HydrophobicContact CB-CD2 4.07Å; V186-L220 HydrophobicContact CG1-CD1 3.97Å; V186-L220 HydrophobicContact CG1-CD2 4.06Å; V186-L220 WeakPolarHBondContact O-CD2 3.31Å; V186-I222 HydrophobicContact CB-CD1 4.47Å; V186-I222 HydrophobicContact CG2-CD1 3.93Å; V186-I222 HydrophobicContact CG2-CG1 3.94Å; V186-F234 HydrophobicContact CG1-CD1 4.26Å; V186-F234 HydrophobicContact CG1-CD2 4.43Å; V186-F234 HydrophobicContact CG1-CE1 4.42Å; V186-F234 HydrophobicContact CG1-CG 4.27Å; V186-F234 HydrophobicContact CG2-CB 4.43Å; V186-F234 HydrophobicContact CG2-CD1 3.89Å; V186-F234 HydrophobicContact CG2-CG 4.27Å |
| 187 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 126.1 | -178.7 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | L154 V175 L177 V178 L189 L194 K195 Y197 | L154-V187 HydrophobicContact CD2-CG2 3.98Å; V175-V187 HydrophobicContact CG1-CG1 4.01Å; V175-V187 HydrophobicContact CG2-CG1 4.48Å; L177-V187 CarbonylContact O-C 3.58Å; L177-V187 WeakPolarHBondContact O-CA 3.35Å; V178-V187 HydrophobicContact CG1-CG2 4.39Å; V178-V187 HydrophobicContact CG2-CG1 4.18Å; V178-V187 HydrophobicContact CG2-CG2 4.21Å; V187-L189 HydrophobicContact CG1-CD2 3.74Å; V187-L194 CarbonylContact O-C 3.6Å; V187-L194 WeakPolarHBondContact O-CA 3.27Å; V187-K195 HydrophobicContact CB-CB 4.37Å; V187-K195 PolarHBondContact N-O 3.4Å; V187-K195 PolarHBondContact O-N 3.21Å; V187-Y197 HydrophobicContact CB-CE2 4.44Å; V187-Y197 HydrophobicContact CG2-CD2 3.98Å; V187-Y197 HydrophobicContact CG2-CE2 3.88Å |
| 188 | C | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130 | 173.2 | -50.4 | 0 | 0 | 0 | 0 | 110.4 | Y176 L177 L194 I236 | Y176-C188 PolarHBondContact N-O 2.81Å; L177-C188 HydrophobicContact CB-CB 3.86Å; L177-C188 HydrophobicContact CD1-CB 4.03Å; L177-C188 HydrophobicContact CG-CB 4.26Å; L177-C188 PolarHBondContact N-O 2.97Å; L177-C188 VanDerWaalsContact N-O 3.14Å; L177-C188 PolarHBondContact O-N 3.26Å; C188-L194 HydrophobicContact CB-CD2 3.78Å; C188-L194 WeakPolarHBondContact SG-CD2 3.37Å; C188-I236 HydrophobicContact CB-CD1 4.5Å; C188-I236 VanDerWaalsContact SG-CD1 3.58Å |
| 189 | L | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 162.9 | -178 | -54.4 | -174.7 | 0 | 0 | 0 | 112 | M171 P172 D173 R174 V175 V187 N191 K192 T193 | M171-L189 HydrophobicContact CB-CD1 4.18Å; M171-L189 HydrophobicContact CB-CD2 4.06Å; M171-L189 HydrophobicContact CG-CD2 4.14Å; M171-L189 HydrophobicContact SD-CD2 4.28Å; P172-L189 HydrophobicContact CG-CD1 4.44Å; D173-L189 HydrophobicContact CB-CB 4.39Å; R174-L189 CarbonylContact O-C 3.59Å; R174-L189 VanDerWaalsContact O-CA 3.29Å; R174-L189 WeakPolarHBondContact O-CA 3.37Å; V175-L189 HydrophobicContact CB-CD2 4.34Å; V175-L189 HydrophobicContact CG2-CD2 3.85Å; V187-L189 HydrophobicContact CG1-CD2 3.74Å; L189-N191 VanDerWaalsContact CB-OD1 3.26Å; L189-N191 WeakPolarHBondContact CB-OD1 3.47Å; L189-N191 PolarHBondContact O-N 2.82Å; L189-K192 WeakPolarHBondContact O-CA 3.48Å; L189-K192 PolarHBondContact O-N 3.07Å; L189-T193 HydrophobicContact CD1-CG2 4.35Å; L189-T193 PolarHBondContact N-O 2.91Å |
| 190 | A | 94.9 | Very high | 97.6 | Very high | 17 Ų | 17 | 28.4 Ų | 28.4 | 14% | 0.14 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -31.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R174 Y176 K192 | R174-A190 HydrophobicContact CB-CB 4.02Å; R174-A190 PolarHBondContact O-N 3.36Å; Y176-A190 HydrophobicContact CD1-CB 4.04Å; Y176-A190 HydrophobicContact CD2-CB 4.07Å; Y176-A190 HydrophobicContact CE1-CB 3.54Å; Y176-A190 VanDerWaalsContact CE2-CA 3.46Å; Y176-A190 HydrophobicContact CE2-CB 3.53Å; Y176-A190 HydrophobicContact CG-CB 4.3Å; A190-K192 PolarHBondContact O-N 3.45Å |
| 191 | N | 95.4 | Very high | 97.2 | Very high | 61 Ų | 61 | 29.5 Ų | 29.5 | 33% | 0.326 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 12.3 | 175 | 66 | -6.9 | 0 | 0 | 0 | 113.5 | D173 L189 T193 | D173-N191 HydrophobicContact CB-CB 4.17Å; D173-N191 WeakPolarHBondContact OD2-CB 3.34Å; L189-N191 VanDerWaalsContact CB-OD1 3.26Å; L189-N191 WeakPolarHBondContact CB-OD1 3.47Å; L189-N191 PolarHBondContact O-N 2.82Å; N191-T193 PolarHBondContact ND2-OG1 3.48Å; N191-T193 PolarHBondContact O-N 2.79Å; N191-T193 VanDerWaalsContact OD1-CB 3.26Å; N191-T193 WeakPolarHBondContact OD1-CB 3.45Å; N191-T193 PolarHBondContact OD1-N 2.98Å; N191-T193 PolarHBondContact OD1-OG1 3.06Å; N191-T193 VanDerWaalsContact OD1-OG1 3.07Å |
| 192 | K | 95.3 | Very high | 96.9 | Very high | 49 Ų | 49 | 33.7 Ų | 33.7 | 21% | 0.213 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 67.8 | 8.5 | -176.4 | -47.2 | 178.2 | -67 | 156.6 | 0 | 115.1 | L189 A190 L194 E210 S211 | L189-K192 WeakPolarHBondContact O-CA 3.48Å; L189-K192 PolarHBondContact O-N 3.07Å; A190-K192 PolarHBondContact O-N 3.45Å; K192-L194 PolarHBondContact O-N 2.7Å; K192-E210 HydrophobicContact CB-CG 4.28Å; K192-E210 WeakPolarHBondContact CE-OE1 3.3Å; K192-E210 IonicContact NZ-OE1 2.79Å; K192-E210 PolarHBondContact NZ-OE1 3.5Å; K192-S211 PolarHBondContact O-N 2.9Å |
| 193 | T | 98.5 | Very high | 96.8 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 14% | 0.135 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 131.6 | 169.7 | -59 | 0 | 0 | 0 | 0 | 109.8 | L189 N191 K195 Q208 | L189-T193 HydrophobicContact CD1-CG2 4.35Å; L189-T193 PolarHBondContact N-O 2.91Å; N191-T193 PolarHBondContact ND2-OG1 3.48Å; N191-T193 PolarHBondContact O-N 2.79Å; N191-T193 VanDerWaalsContact OD1-CB 3.26Å; N191-T193 WeakPolarHBondContact OD1-CB 3.45Å; N191-T193 PolarHBondContact OD1-N 2.98Å; N191-T193 PolarHBondContact OD1-OG1 3.06Å; N191-T193 VanDerWaalsContact OD1-OG1 3.07Å; T193-K195 HydrophobicContact CG2-CG 4.18Å; T193-Q208 HydrophobicContact CG2-CG 3.67Å |
| 194 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 132.2 | 170 | -54.8 | 179.7 | 0 | 0 | 0 | 108.4 | V187 C188 K192 Q208 M209 F234 I236 | V187-L194 CarbonylContact O-C 3.6Å; V187-L194 WeakPolarHBondContact O-CA 3.27Å; C188-L194 HydrophobicContact CB-CD2 3.78Å; C188-L194 WeakPolarHBondContact SG-CD2 3.37Å; K192-L194 PolarHBondContact O-N 2.7Å; L194-Q208 CarbonylContact O-C 3.52Å; L194-Q208 WeakPolarHBondContact O-CA 3.39Å; L194-M209 HydrophobicContact CB-CG 3.81Å; L194-M209 HydrophobicContact CD1-CG 4.09Å; L194-M209 HydrophobicContact CD1-SD 4.34Å; L194-M209 HydrophobicContact CG-CG 4.38Å; L194-M209 PolarHBondContact N-O 2.89Å; L194-M209 PolarHBondContact O-N 2.54Å; L194-F234 HydrophobicContact CD1-CE2 3.85Å; L194-F234 HydrophobicContact CD1-CZ 3.98Å; L194-I236 HydrophobicContact CD1-CD1 4.24Å; L194-I236 HydrophobicContact CD2-CD1 3.45Å; L194-I236 VanDerWaalsContact CD2-CD1 3.45Å; L194-I236 HydrophobicContact CG-CD1 4.47Å |
| 195 | K | 98.8 | Very high | 96.8 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 8% | 0.078 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136 | 172.8 | -66.3 | -170.8 | 166.5 | -137.4 | 0 | 109.8 | M171 V186 V187 T193 Y197 E205 Q207 Q208 | M171-K195 HydrophobicContact SD-CD 4.15Å; V186-K195 CarbonylContact C-O 3.46Å; V186-K195 WeakPolarHBondContact CA-O 3.42Å; V187-K195 HydrophobicContact CB-CB 4.37Å; V187-K195 PolarHBondContact N-O 3.4Å; V187-K195 PolarHBondContact O-N 3.21Å; T193-K195 HydrophobicContact CG2-CG 4.18Å; K195-Y197 HydrophobicContact CB-CD2 4.33Å; K195-Y197 HydrophobicContact CB-CE2 3.58Å; K195-Y197 HydrophobicContact CD-CE2 4.3Å; K195-Y197 WeakPolarHBondContact CD-OH 3.31Å; K195-E205 WeakPolarHBondContact CD-OE2 3.18Å; K195-E205 IonicContact NZ-OE1 3.36Å; K195-E205 PolarHBondContact NZ-OE1 2.69Å; K195-E205 IonicContact NZ-OE2 2.65Å; K195-E205 PolarHBondContact NZ-OE2 2.92Å; K195-Q207 WeakPolarHBondContact CA-O 3.21Å; K195-Q208 HydrophobicContact CG-CG 4.15Å |
| 196 | I | 98.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130 | 178.9 | -60.1 | 155.8 | 0 | 0 | 0 | 107.6 | M184 A185 V186 V206 Q207 M209 F234 V248 | M184-I196 HydrophobicContact CG-CG2 3.96Å; M184-I196 HydrophobicContact SD-CG2 4.13Å; A185-I196 WeakPolarHBondContact O-CA 3.33Å; V186-I196 HydrophobicContact CG1-CG1 4.45Å; V186-I196 HydrophobicContact CG2-CG1 4.24Å; I196-V206 HydrophobicContact CB-CG2 4.28Å; I196-V206 HydrophobicContact CG2-CG2 3.89Å; I196-V206 WeakPolarHBondContact O-CG2 3.45Å; I196-V206 PolarHBondContact O-N 3.33Å; I196-Q207 HydrophobicContact CB-CB 4.18Å; I196-Q207 HydrophobicContact CD1-CB 4.01Å; I196-Q207 HydrophobicContact CD1-CG 4.28Å; I196-Q207 PolarHBondContact N-O 2.87Å; I196-Q207 PolarHBondContact O-N 2.78Å; I196-M209 HydrophobicContact CD1-CE 4.13Å; I196-F234 HydrophobicContact CD1-CE1 3.96Å; I196-F234 HydrophobicContact CG1-CE1 4.41Å; I196-V248 HydrophobicContact CD1-CG1 4.14Å; I196-V248 HydrophobicContact CD1-CG2 3.88Å; I196-V248 HydrophobicContact CG2-CG1 4.36Å |
| 197 | Y | 98.5 | Very high | 96.6 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.5 | -179.2 | -67.9 | -95.9 | 0 | 0 | 0 | 110.5 | L169 M184 A185 V187 K195 P203 V204 E205 | L169-Y197 HydrophobicContact CD1-CD1 4.29Å; L169-Y197 HydrophobicContact CD1-CE1 3.69Å; M184-Y197 WeakPolarHBondContact CA-O 3.23Å; A185-Y197 PolarHBondContact N-O 2.94Å; A185-Y197 PolarHBondContact O-N 3.14Å; V187-Y197 HydrophobicContact CB-CE2 4.44Å; V187-Y197 HydrophobicContact CG2-CD2 3.98Å; V187-Y197 HydrophobicContact CG2-CE2 3.88Å; K195-Y197 HydrophobicContact CB-CD2 4.33Å; K195-Y197 HydrophobicContact CB-CE2 3.58Å; K195-Y197 HydrophobicContact CD-CE2 4.3Å; K195-Y197 WeakPolarHBondContact CD-OH 3.31Å; Y197-P203 HydrophobicContact CD1-CB 4.35Å; Y197-V204 CarbonylContact C-O 3.59Å; Y197-V204 VanDerWaalsContact CA-O 3.26Å; Y197-V204 WeakPolarHBondContact CA-O 3.4Å; Y197-V204 VanDerWaalsContact CD1-C 3.49Å; Y197-E205 HydrophobicContact CD1-CB 3.98Å; Y197-E205 VanDerWaalsContact CD1-N 3.32Å; Y197-E205 HydrophobicContact CE1-CB 3.53Å; Y197-E205 HydrophobicContact CE1-CG 4.2Å; Y197-E205 PolarHBondContact OH-OE2 3.33Å; Y197-E205 VanDerWaalsContact OH-OE2 3.12Å |
| 198 | K | 97.2 | Very high | 96.6 | Very high | 112 Ų | 112 | 47.5 Ų | 47.5 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 146.1 | 158.3 | -81 | -172 | -174.5 | -175.7 | 0 | 109.4 | P183 E200 P203 V204 V206 | P183-K198 CarbonylContact O-C 3.5Å; P183-K198 WeakPolarHBondContact O-CA 3.26Å; K198-E200 VanDerWaalsContact CB-OE2 3.31Å; K198-E200 WeakPolarHBondContact CB-OE2 3.18Å; K198-P203 CarbonylContact O-C 3.49Å; K198-P203 WeakPolarHBondContact O-CA 3.37Å; K198-V204 PolarHBondContact N-O 3.15Å; K198-V204 PolarHBondContact O-N 3.32Å; K198-V206 HydrophobicContact CB-CG1 4.09Å; K198-V206 HydrophobicContact CD-CG1 3.87Å; K198-V206 HydrophobicContact CG-CG1 3.78Å; K198-V206 HydrophobicContact CG-CG2 4.34Å |
| 199 | L | 96.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | trans | -116.2 | 1 | -171.5 | -59.7 | 179.1 | 0 | 0 | 0 | 113.4 | V137 Y142 V180 Y182 P183 A185 G201 P203 | V137-L199 HydrophobicContact CG1-CD1 3.91Å; Y142-L199 PolarHBondContact OH-O 2.77Å; V180-L199 HydrophobicContact CG1-CD1 3.89Å; Y182-L199 HydrophobicContact CD2-CB 4.21Å; P183-L199 PolarHBondContact O-N 2.95Å; A185-L199 HydrophobicContact CB-CD1 4.09Å; A185-L199 HydrophobicContact CB-CD2 4.13Å; A185-L199 HydrophobicContact CB-CG 4.33Å; L199-G201 PolarHBondContact O-N 2.85Å; L199-P203 HydrophobicContact CD2-CB 4.17Å; L199-P203 HydrophobicContact CD2-CG 4.16Å | ||
| 200 | E | 94.7 | Very high | 96.5 | Very high | 87 Ų | 87 | 54.8 Ų | 54.8 | 41% | 0.407 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -64.3 | 117.1 | 176.5 | -61.8 | 94 | 150.2 | 0 | 0 | 111.2 | Y182 P183 K198 Q202 | Y182-E200 HydrophobicContact CE2-CG 4.26Å; P183-E200 HydrophobicContact CB-CG 4.16Å; P183-E200 WeakPolarHBondContact CB-OE1 3.26Å; P183-E200 WeakPolarHBondContact CG-OE1 3.45Å; K198-E200 VanDerWaalsContact CB-OE2 3.31Å; K198-E200 WeakPolarHBondContact CB-OE2 3.18Å; E200-Q202 PolarHBondContact O-N 2.74Å |
| 201 | G | 90.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 54.2 Ų | 54.2 | 50% | 0.495 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 77.2 | -66.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y142 L199 | Y142-G201 WeakPolarHBondContact CE1-O 3.21Å; L199-G201 PolarHBondContact O-N 2.85Å |
| 202 | Q | 90.6 | Very high | 96.6 | Very high | 136 Ų | 136 | 54.1 Ų | 54.1 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -145.4 | 159.5 | 173.2 | 69.2 | -179 | 4.2 | 0 | 0 | 110.9 | E200 V204 | E200-Q202 PolarHBondContact O-N 2.74Å; Q202-V204 HydrophobicContact CG-CG2 4.21Å; Q202-V204 PolarHBondContact O-N 2.78Å |
| 203 | P | 95.4 | Very high | 96.6 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 21% | 0.208 | 27% | 0.273 | C | S | . | . | trans | -59 | 118.5 | 174.6 | -24.7 | 34.9 | 0 | 0 | 0 | 112.4 | F156 L169 Y197 K198 L199 | F156-P203 HydrophobicContact CD1-CG 4.18Å; F156-P203 HydrophobicContact CD2-CG 4.34Å; F156-P203 HydrophobicContact CE1-CB 4.44Å; F156-P203 HydrophobicContact CE1-CG 3.59Å; F156-P203 HydrophobicContact CE2-CB 4.28Å; F156-P203 HydrophobicContact CE2-CG 3.79Å; F156-P203 HydrophobicContact CZ-CB 3.85Å; F156-P203 HydrophobicContact CZ-CG 3.37Å; L169-P203 HydrophobicContact CD1-CB 4.17Å; Y197-P203 HydrophobicContact CD1-CB 4.35Å; K198-P203 CarbonylContact O-C 3.49Å; K198-P203 WeakPolarHBondContact O-CA 3.37Å; L199-P203 HydrophobicContact CD2-CB 4.17Å; L199-P203 HydrophobicContact CD2-CG 4.16Å | ||
| 204 | V | 97.2 | Very high | 96.2 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 44% | 0.442 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122.7 | 176 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | Y197 K198 Q202 V206 | Y197-V204 CarbonylContact C-O 3.59Å; Y197-V204 VanDerWaalsContact CA-O 3.26Å; Y197-V204 WeakPolarHBondContact CA-O 3.4Å; Y197-V204 VanDerWaalsContact CD1-C 3.49Å; K198-V204 PolarHBondContact N-O 3.15Å; K198-V204 PolarHBondContact O-N 3.32Å; Q202-V204 HydrophobicContact CG-CG2 4.21Å; Q202-V204 PolarHBondContact O-N 2.78Å; V204-V206 PolarHBondContact O-N 3.12Å |
| 205 | E | 98.1 | Very high | 95.7 | Very high | 77 Ų | 77 | 60.6 Ų | 60.6 | 36% | 0.36 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 126.3 | 174.8 | -170.3 | 175 | 143.5 | 0 | 0 | 109.6 | K195 Y197 | K195-E205 WeakPolarHBondContact CD-OE2 3.18Å; K195-E205 IonicContact NZ-OE1 3.36Å; K195-E205 PolarHBondContact NZ-OE1 2.69Å; K195-E205 IonicContact NZ-OE2 2.65Å; K195-E205 PolarHBondContact NZ-OE2 2.92Å; Y197-E205 HydrophobicContact CD1-CB 3.98Å; Y197-E205 VanDerWaalsContact CD1-N 3.32Å; Y197-E205 HydrophobicContact CE1-CB 3.53Å; Y197-E205 HydrophobicContact CE1-CG 4.2Å; Y197-E205 PolarHBondContact OH-OE2 3.33Å; Y197-E205 VanDerWaalsContact OH-OE2 3.12Å |
| 206 | V | 97.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 63.4 Ų | 63.4 | 44% | 0.436 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -22.9 | 180 | -65.8 | 0 | 0 | 0 | 0 | 113 | I196 K198 V204 | I196-V206 HydrophobicContact CB-CG2 4.28Å; I196-V206 HydrophobicContact CG2-CG2 3.89Å; I196-V206 WeakPolarHBondContact O-CG2 3.45Å; I196-V206 PolarHBondContact O-N 3.33Å; K198-V206 HydrophobicContact CB-CG1 4.09Å; K198-V206 HydrophobicContact CD-CG1 3.87Å; K198-V206 HydrophobicContact CG-CG1 3.78Å; K198-V206 HydrophobicContact CG-CG2 4.34Å; V204-V206 PolarHBondContact O-N 3.12Å |
| 207 | Q | 97.3 | Very high | 95.1 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 142.8 | 179.6 | -167.2 | 176.1 | 34 | 0 | 0 | 110.7 | K195 I196 M209 | K195-Q207 WeakPolarHBondContact CA-O 3.21Å; I196-Q207 HydrophobicContact CB-CB 4.18Å; I196-Q207 HydrophobicContact CD1-CB 4.01Å; I196-Q207 HydrophobicContact CD1-CG 4.28Å; I196-Q207 PolarHBondContact N-O 2.87Å; I196-Q207 PolarHBondContact O-N 2.78Å; Q207-M209 HydrophobicContact CG-CE 3.79Å |
| 208 | Q | 97.8 | Very high | 95 | Very high | 109 Ų | 109 | 65.8 Ų | 65.8 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 139.6 | 169.9 | -174.7 | -177.1 | -81.8 | 0 | 0 | 108.9 | T193 L194 K195 | T193-Q208 HydrophobicContact CG2-CG 3.67Å; L194-Q208 CarbonylContact O-C 3.52Å; L194-Q208 WeakPolarHBondContact O-CA 3.39Å; K195-Q208 HydrophobicContact CG-CG 4.15Å |
| 209 | M | 97.3 | Very high | 95 | Very high | 38 Ų | 38 | 60.6 Ų | 60.6 | 19% | 0.187 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 170.2 | 174.7 | 62.7 | -176.5 | 67.4 | 0 | 0 | 111.3 | L194 I196 Q207 F234 H246 | L194-M209 HydrophobicContact CB-CG 3.81Å; L194-M209 HydrophobicContact CD1-CG 4.09Å; L194-M209 HydrophobicContact CD1-SD 4.34Å; L194-M209 HydrophobicContact CG-CG 4.38Å; L194-M209 PolarHBondContact N-O 2.89Å; L194-M209 PolarHBondContact O-N 2.54Å; I196-M209 HydrophobicContact CD1-CE 4.13Å; Q207-M209 HydrophobicContact CG-CE 3.79Å; M209-F234 HydrophobicContact SD-CZ 4.48Å; M209-H246 WeakPolarHBondContact CE-NE2 3.42Å; M209-H246 PolarHBondContact SD-CE1 3.41Å; M209-H246 PolarHBondContact SD-NE2 2.96Å |
| 210 | E | 97.7 | Very high | 95.1 | Very high | 119 Ų | 119 | 61.4 Ų | 61.4 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 144.6 | 166.3 | -166.8 | 179 | 167.9 | 0 | 0 | 109.7 | K192 | K192-E210 HydrophobicContact CB-CG 4.28Å; K192-E210 WeakPolarHBondContact CE-OE1 3.3Å; K192-E210 IonicContact NZ-OE1 2.79Å; K192-E210 PolarHBondContact NZ-OE1 3.5Å |
| 211 | S | 96.7 | Very high | 95.3 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | trans | -53.2 | 133.5 | 171.8 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | K192 L213 | K192-S211 PolarHBondContact O-N 2.9Å; S211-L213 PolarHBondContact O-N 3.33Å; S211-L213 VanDerWaalsContact O-N 3.17Å; S211-L213 PolarHBondContact OG-N 3.02Å | ||
| 212 | P | 95.6 | Very high | 95.7 | Very high | 58 Ų | 58 | 56 Ų | 56 | 38% | 0.377 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -71.5 | -6.2 | 175.4 | 32.6 | -37.5 | 0 | 0 | 0 | 112.4 | A244 M258 | P212-A244 HydrophobicContact CG-CB 3.61Å; P212-M258 HydrophobicContact CB-CE 3.97Å; P212-M258 VanDerWaalsContact O-CE 3.25Å; P212-M258 WeakPolarHBondContact O-CE 3.35Å |
| 213 | L | 95.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -85.6 | 146.5 | 178.1 | -60.3 | 177.5 | 0 | 0 | 0 | 111 | S211 Y215 I236 R242 A244 M258 | S211-L213 PolarHBondContact O-N 3.33Å; S211-L213 VanDerWaalsContact O-N 3.17Å; S211-L213 PolarHBondContact OG-N 3.02Å; L213-Y215 VanDerWaalsContact C-N 3.31Å; L213-Y215 PolarHBondContact O-N 3.28Å; L213-I236 HydrophobicContact CD1-CG2 4.08Å; L213-I236 WeakPolarHBondContact CD1-O 3.48Å; L213-R242 HydrophobicContact CD2-CB 3.87Å; L213-A244 HydrophobicContact CD1-CB 4.41Å; L213-A244 HydrophobicContact CD2-CB 3.92Å; L213-A244 HydrophobicContact CG-CB 4.06Å; L213-M258 HydrophobicContact CD2-CB 4.29Å; L213-M258 HydrophobicContact CD2-SD 4.19Å |
| 214 | K | 90.2 | Very high | 96.2 | Very high | 136 Ų | 136 | 52.7 Ų | 52.7 | 59% | 0.591 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -70.3 | -31.9 | -173.6 | -176.3 | 174.8 | 177.5 | -179.3 | 0 | 112 | E240 R242 | K214-E240 PolarHBondContact N-OE1 2.86Å; K214-R242 VanDerWaalsContact CB-NH2 3.34Å |
| 215 | Y | 89 | Confident | 96.1 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 27% | 0.271 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -121.3 | 175.1 | -174.3 | -57.6 | -76.9 | 0 | 0 | 0 | 112.6 | L213 S217 E240 F289 | L213-Y215 VanDerWaalsContact C-N 3.31Å; L213-Y215 PolarHBondContact O-N 3.28Å; Y215-S217 PolarHBondContact O-N 3.45Å; Y215-E240 HydrophobicContact CD2-CB 3.64Å; Y215-E240 HydrophobicContact CD2-CG 4.2Å; Y215-E240 WeakPolarHBondContact CD2-OE2 3.34Å; Y215-E240 HydrophobicContact CE2-CB 4.2Å; Y215-E240 WeakPolarHBondContact CE2-OE2 3.3Å; Y215-F289 AromaticContact CD1-CE1 3.65Å; Y215-F289 HydrophobicContact CD1-CE1 3.65Å; Y215-F289 HydrophobicContact CD1-CZ 4.41Å; Y215-F289 AromaticContact CE1-CE1 3.76Å; Y215-F289 HydrophobicContact CE1-CE1 3.76Å; Y215-F289 HydrophobicContact CE1-CZ 4.34Å |
| 216 | Q | 90.3 | Very high | 95.6 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | trans | -49.4 | 132.1 | -177.1 | -174.8 | -176.7 | 92.6 | 0 | 0 | 112.7 | Y176 S238 I239 | Y176-Q216 HydrophobicContact CD2-CG 4.08Å; Y176-Q216 HydrophobicContact CE2-CG 3.8Å; Q216-S238 VanDerWaalsContact O-CA 3.24Å; Q216-S238 WeakPolarHBondContact O-CA 3.38Å; Q216-S238 VanDerWaalsContact O-CB 3.25Å; Q216-S238 WeakPolarHBondContact O-CB 3.26Å; Q216-I239 HydrophobicContact CB-CD1 4.02Å; Q216-I239 HydrophobicContact CB-CG1 4.19Å; Q216-I239 PolarHBondContact O-N 2.88Å | ||
| 217 | S | 95.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 140.3 | 173 | -52.5 | 0 | 0 | 0 | 0 | 111 | Y215 I236 G237 | Y215-S217 PolarHBondContact O-N 3.45Å; S217-I236 WeakPolarHBondContact OG-CD1 3.31Å; S217-G237 CarbonylContact C-O 3.45Å; S217-G237 WeakPolarHBondContact CA-O 3.16Å |
| 218 | R | 94.6 | Very high | 94.9 | Very high | 57 Ų | 57 | 55.8 Ų | 55.8 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | -19.8 | -175.5 | -173.6 | 166.7 | 176 | 123.5 | -5.3 | 113.9 | L177 G237 I239 N296 D356 | L177-R218 WeakPolarHBondContact CD2-O 3.33Å; R218-G237 PolarHBondContact N-O 3.45Å; R218-I239 HydrophobicContact CB-CG2 4.24Å; R218-N296 PolarHBondContact NE-OD1 2.77Å; R218-N296 PolarHBondContact NH2-OD1 3.29Å; R218-D356 PolarHBondContact NH2-O 2.65Å; R218-D356 IonicContact NH2-OD2 2.87Å |
| 219 | S | 98.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.5 | 177.1 | 55 | 0 | 0 | 0 | 0 | 111.1 | I236 G237 V295 V298 | S219-I236 CarbonylContact O-C 3.53Å; S219-I236 WeakPolarHBondContact O-CA 3.23Å; S219-I236 WeakPolarHBondContact O-CG1 3.32Å; S219-G237 PolarHBondContact N-O 2.84Å; S219-G237 PolarHBondContact O-N 3.28Å; S219-G237 WeakPolarHBondContact OG-CA 3.43Å; S219-G237 PolarHBondContact OG-N 3.42Å; S219-V295 PolarHBondContact OG-O 2.95Å; S219-V298 VanDerWaalsContact OG-CG2 3.24Å; S219-V298 WeakPolarHBondContact OG-CG2 3.23Å |
| 220 | L | 98.8 | Very high | 94.6 | Very high | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 134.1 | -176.4 | 176.3 | 70.4 | 0 | 0 | 0 | 108.9 | L177 D179 V186 F234 A235 I236 | L177-L220 HydrophobicContact CB-CB 3.92Å; L177-L220 HydrophobicContact CB-CD2 4.09Å; L177-L220 HydrophobicContact CD1-CB 4.03Å; D179-L220 HydrophobicContact CB-CD2 3.87Å; D179-L220 HydrophobicContact CB-CG 4.02Å; V186-L220 HydrophobicContact CB-CD1 4.44Å; V186-L220 HydrophobicContact CB-CD2 4.07Å; V186-L220 HydrophobicContact CG1-CD1 3.97Å; V186-L220 HydrophobicContact CG1-CD2 4.06Å; V186-L220 WeakPolarHBondContact O-CD2 3.31Å; L220-F234 HydrophobicContact CD1-CB 4.11Å; L220-F234 HydrophobicContact CD1-CD2 3.81Å; L220-F234 HydrophobicContact CD1-CG 4.22Å; L220-A235 CarbonylContact C-O 3.37Å; L220-A235 WeakPolarHBondContact CA-O 3.46Å; L220-I236 HydrophobicContact CD1-CB 4.41Å |
| 221 | A | 98.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 7% | 0.066 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 129.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D179 F234 A235 V298 F300 | D179-A221 VanDerWaalsContact OD2-CA 3.31Å; D179-A221 WeakPolarHBondContact OD2-CA 3.36Å; A221-F234 CarbonylContact O-C 3.51Å; A221-F234 WeakPolarHBondContact O-CA 3.35Å; A221-F234 WeakPolarHBondContact O-CB 3.1Å; A221-A235 PolarHBondContact N-O 3.02Å; A221-A235 PolarHBondContact O-N 3.37Å; A221-V298 HydrophobicContact CB-CG1 4.13Å; A221-V298 WeakPolarHBondContact CB-O 3.33Å; A221-F300 HydrophobicContact CB-CD2 3.81Å; A221-F300 HydrophobicContact CB-CE2 3.98Å; A221-F300 WeakPolarHBondContact O-CE2 3.29Å |
| 222 | I | 98.9 | Very high | 94.6 | Very high | 13 Ų | 13 | 54.2 Ų | 54.2 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 139.5 | 173.2 | -66.5 | 171 | 0 | 0 | 0 | 109.2 | D179 L181 M184 V186 P231 G233 F234 | D179-I222 HydrophobicContact CB-CD1 4.21Å; D179-I222 HydrophobicContact CB-CG1 4.17Å; D179-I222 WeakPolarHBondContact O-CD1 3.46Å; D179-I222 PolarHBondContact OD2-N 3.17Å; L181-I222 HydrophobicContact CB-CB 4.23Å; L181-I222 HydrophobicContact CB-CD1 4.21Å; L181-I222 HydrophobicContact CB-CG2 3.83Å; L181-I222 HydrophobicContact CD2-CG2 3.82Å; L181-I222 HydrophobicContact CG-CG2 4.44Å; M184-I222 HydrophobicContact CE-CB 4.15Å; M184-I222 HydrophobicContact CE-CD1 3.81Å; M184-I222 HydrophobicContact CE-CG1 3.73Å; M184-I222 HydrophobicContact CE-CG2 3.36Å; V186-I222 HydrophobicContact CB-CD1 4.47Å; V186-I222 HydrophobicContact CG2-CD1 3.93Å; V186-I222 HydrophobicContact CG2-CG1 3.94Å; I222-P231 HydrophobicContact CG2-CB 3.76Å; I222-G233 CarbonylContact C-O 3.51Å; I222-G233 WeakPolarHBondContact CA-O 3.28Å; I222-G233 WeakPolarHBondContact CG2-O 3.26Å; I222-F234 HydrophobicContact CG1-CB 4.31Å |
| 223 | F | 98.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 155.5 | 171.1 | 61.5 | -95.2 | 0 | 0 | 0 | 112.6 | I232 G233 F234 I245 H247 F300 K321 | F223-I232 HydrophobicContact CD2-CG2 3.7Å; F223-I232 HydrophobicContact CE2-CG2 3.59Å; F223-I232 PolarHBondContact O-N 3.26Å; F223-G233 VanDerWaalsContact CD1-C 3.45Å; F223-G233 PolarHBondContact N-O 2.73Å; F223-G233 PolarHBondContact O-N 3.36Å; F223-F234 VanDerWaalsContact CE1-C 3.49Å; F223-F234 WeakPolarHBondContact CE1-O 3.41Å; F223-I245 HydrophobicContact CE1-CG2 3.79Å; F223-I245 HydrophobicContact CZ-CG2 3.85Å; F223-H247 AromaticContact CE2-CD2 3.7Å; F223-H247 AromaticContact CE2-NE2 3.42Å; F223-H247 WeakPolarHBondContact CE2-NE2 3.37Å; F223-H247 AromaticContact CZ-CD2 3.81Å; F223-H247 AromaticContact CZ-CE1 3.78Å; F223-H247 AromaticContact CZ-NE2 3.58Å; F223-F300 HydrophobicContact CB-CD1 3.93Å; F223-F300 HydrophobicContact CB-CD2 3.77Å; F223-F300 HydrophobicContact CB-CE1 3.79Å; F223-F300 HydrophobicContact CB-CE2 3.62Å; F223-F300 HydrophobicContact CB-CG 3.93Å; F223-F300 HydrophobicContact CB-CZ 3.62Å; F223-F300 HydrophobicContact CD1-CE1 4.24Å; F223-F300 AromaticContact CD1-CE2 3.78Å; F223-F300 HydrophobicContact CD1-CE2 3.78Å; F223-F300 AromaticContact CD1-CZ 3.48Å; F223-F300 HydrophobicContact CD1-CZ 3.48Å; F223-F300 VanDerWaalsContact CD1-CZ 3.48Å; F223-F300 HydrophobicContact CE1-CZ 4.44Å; F223-F300 HydrophobicContact CG-CE1 4.26Å; F223-F300 HydrophobicContact CG-CE2 4.17Å; F223-F300 AromaticContact CG-CZ 3.89Å; F223-F300 HydrophobicContact CG-CZ 3.89Å; F223-K321 HydrophobicContact CD1-CD 4.49Å; F223-K321 HydrophobicContact CD2-CD 4.44Å; F223-K321 HydrophobicContact CE2-CD 4.47Å; F223-K321 HydrophobicContact CG-CD 4.44Å |
| 224 | K | 97.6 | Very high | 94.9 | Very high | 96 Ų | 96 | 51.3 Ų | 51.3 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 153.4 | -176.6 | -67.2 | 172.2 | 178.2 | -179.4 | 0 | 112 | L181 N229 S230 | L181-K224 HydrophobicContact CD2-CD 4.06Å; L181-K224 HydrophobicContact CD2-CG 3.46Å; L181-K224 VanDerWaalsContact CD2-CG 3.46Å; K224-N229 HydrophobicContact CD-CB 4.36Å; K224-N229 VanDerWaalsContact CD-O 3.31Å; K224-N229 WeakPolarHBondContact CD-O 3.42Å; K224-N229 WeakPolarHBondContact CG-O 3.26Å; K224-S230 CarbonylContact C-O 3.58Å; K224-S230 VanDerWaalsContact CA-O 3.26Å; K224-S230 WeakPolarHBondContact CA-O 3.48Å |
| 225 | D | 94 | Very high | 95.3 | Very high | 49 Ų | 49 | 44.9 Ų | 44.9 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | trans | -69.7 | 134.5 | 159.3 | -170.8 | -31.1 | 0 | 0 | 0 | 109.3 | A227 N228 N229 S230 I232 | D225-A227 VanDerWaalsContact C-N 3.25Å; D225-A227 PolarHBondContact O-N 2.62Å; D225-A227 WeakPolarHBondContact OD1-CB 3.31Å; D225-A227 PolarHBondContact OD1-N 2.97Å; D225-N228 WeakPolarHBondContact CB-OD1 3.2Å; D225-N229 VanDerWaalsContact O-CA 3.26Å; D225-N229 WeakPolarHBondContact O-CA 3.36Å; D225-N229 PolarHBondContact O-N 3.36Å; D225-S230 PolarHBondContact N-O 3.12Å; D225-I232 HydrophobicContact CB-CB 4.16Å; D225-I232 HydrophobicContact CB-CD1 4.14Å; D225-I232 HydrophobicContact CB-CG2 4.14Å | ||
| 226 | K | 88.4 | Confident | 95.8 | Very high | 120 Ų | 120 | 41.6 Ų | 41.6 | 52% | 0.522 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -26.3 | 178.7 | -65.4 | -173.8 | -177.6 | 177.3 | 0 | 112.7 | D322 | K226-D322 WeakPolarHBondContact CE-OD2 3.27Å; K226-D322 IonicContact NZ-OD2 3.19Å; K226-D322 PolarHBondContact NZ-OD2 3.15Å |
| 227 | A | 89.6 | Confident | 96.1 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 74% | 0.736 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -39.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D225 | D225-A227 VanDerWaalsContact C-N 3.25Å; D225-A227 PolarHBondContact O-N 2.62Å; D225-A227 WeakPolarHBondContact OD1-CB 3.31Å; D225-A227 PolarHBondContact OD1-N 2.97Å |
| 228 | N | 91.6 | Very high | 96 | Very high | 93 Ų | 93 | 37.6 Ų | 37.6 | 50% | 0.497 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | 0.7 | -171.9 | 64.6 | 25 | 0 | 0 | 0 | 114.4 | D225 S230 | D225-N228 WeakPolarHBondContact CB-OD1 3.2Å; N228-S230 PolarHBondContact O-N 3.03Å; N228-S230 VanDerWaalsContact O-N 3.12Å; N228-S230 WeakPolarHBondContact OD1-CB 3.47Å; N228-S230 PolarHBondContact OD1-N 2.73Å; N228-S230 PolarHBondContact OD1-OG 3.04Å |
| 229 | N | 92 | Very high | 95.8 | Very high | 108 Ų | 108 | 36.3 Ų | 36.3 | 58% | 0.578 | 20% | 0.202 | S | C | * | . | trans | 60.5 | 12.2 | -177.8 | -67.9 | -62.3 | 0 | 0 | 0 | 115.7 | K224 D225 | K224-N229 HydrophobicContact CD-CB 4.36Å; K224-N229 VanDerWaalsContact CD-O 3.31Å; K224-N229 WeakPolarHBondContact CD-O 3.42Å; K224-N229 WeakPolarHBondContact CG-O 3.26Å; D225-N229 VanDerWaalsContact O-CA 3.26Å; D225-N229 WeakPolarHBondContact O-CA 3.36Å; D225-N229 PolarHBondContact O-N 3.36Å | ||
| 230 | S | 95.1 | Very high | 95.3 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 38% | 0.378 | 21% | 0.205 | S | C | . | . | trans | -79.7 | 149.3 | 174.5 | -63.6 | 0 | 0 | 0 | 0 | 111 | K224 D225 N228 I232 | K224-S230 CarbonylContact C-O 3.58Å; K224-S230 VanDerWaalsContact CA-O 3.26Å; K224-S230 WeakPolarHBondContact CA-O 3.48Å; D225-S230 PolarHBondContact N-O 3.12Å; N228-S230 PolarHBondContact O-N 3.03Å; N228-S230 VanDerWaalsContact O-N 3.12Å; N228-S230 WeakPolarHBondContact OD1-CB 3.47Å; N228-S230 PolarHBondContact OD1-N 2.73Å; N228-S230 PolarHBondContact OD1-OG 3.04Å; S230-I232 PolarHBondContact O-N 2.95Å | ||
| 231 | P | 98 | Very high | 94.9 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 131.3 | 171.6 | 26.6 | -36.9 | 0 | 0 | 0 | 111.3 | L181 P183 M184 I222 | L181-P231 HydrophobicContact CB-CB 4.47Å; L181-P231 HydrophobicContact CD2-CB 4.01Å; L181-P231 HydrophobicContact CG-CB 4.29Å; L181-P231 WeakPolarHBondContact O-CG 3.29Å; P183-P231 HydrophobicContact CG-CG 4.47Å; M184-P231 HydrophobicContact CB-CB 3.78Å; M184-P231 HydrophobicContact CB-CG 3.69Å; M184-P231 HydrophobicContact CE-CB 3.72Å; M184-P231 HydrophobicContact SD-CB 4.22Å; I222-P231 HydrophobicContact CG2-CB 3.76Å |
| 232 | I | 96.8 | Very high | 94.7 | Very high | 54 Ų | 54 | 38.8 Ų | 38.8 | 28% | 0.277 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | -19.5 | 179.1 | -167 | 170.2 | 0 | 0 | 0 | 113.2 | F223 D225 S230 V248 | F223-I232 HydrophobicContact CD2-CG2 3.7Å; F223-I232 HydrophobicContact CE2-CG2 3.59Å; F223-I232 PolarHBondContact O-N 3.26Å; D225-I232 HydrophobicContact CB-CB 4.16Å; D225-I232 HydrophobicContact CB-CD1 4.14Å; D225-I232 HydrophobicContact CB-CG2 4.14Å; S230-I232 PolarHBondContact O-N 2.95Å; I232-V248 PolarHBondContact O-N 3.13Å |
| 233 | G | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | -175.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I222 F223 H246 | I222-G233 CarbonylContact C-O 3.51Å; I222-G233 WeakPolarHBondContact CA-O 3.28Å; I222-G233 WeakPolarHBondContact CG2-O 3.26Å; F223-G233 VanDerWaalsContact CD1-C 3.45Å; F223-G233 PolarHBondContact N-O 2.73Å; F223-G233 PolarHBondContact O-N 3.36Å; G233-H246 CarbonylContact C-O 3.56Å; G233-H246 WeakPolarHBondContact CA-O 3.39Å |
| 234 | F | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 153 | 178.2 | 57.2 | -87.1 | 0 | 0 | 0 | 111.8 | V186 L194 I196 M209 L220 A221 I222 F223 I236 H246 V248 | V186-F234 HydrophobicContact CG1-CD1 4.26Å; V186-F234 HydrophobicContact CG1-CD2 4.43Å; V186-F234 HydrophobicContact CG1-CE1 4.42Å; V186-F234 HydrophobicContact CG1-CG 4.27Å; V186-F234 HydrophobicContact CG2-CB 4.43Å; V186-F234 HydrophobicContact CG2-CD1 3.89Å; V186-F234 HydrophobicContact CG2-CG 4.27Å; L194-F234 HydrophobicContact CD1-CE2 3.85Å; L194-F234 HydrophobicContact CD1-CZ 3.98Å; I196-F234 HydrophobicContact CD1-CE1 3.96Å; I196-F234 HydrophobicContact CG1-CE1 4.41Å; M209-F234 HydrophobicContact SD-CZ 4.48Å; L220-F234 HydrophobicContact CD1-CB 4.11Å; L220-F234 HydrophobicContact CD1-CD2 3.81Å; L220-F234 HydrophobicContact CD1-CG 4.22Å; A221-F234 CarbonylContact O-C 3.51Å; A221-F234 WeakPolarHBondContact O-CA 3.35Å; A221-F234 WeakPolarHBondContact O-CB 3.1Å; I222-F234 HydrophobicContact CG1-CB 4.31Å; F223-F234 VanDerWaalsContact CE1-C 3.49Å; F223-F234 WeakPolarHBondContact CE1-O 3.41Å; F234-I236 HydrophobicContact CD2-CB 4.44Å; F234-I236 HydrophobicContact CE2-CG2 4.49Å; F234-H246 HydrophobicContact CD1-CB 4.49Å; F234-H246 HydrophobicContact CD2-CB 4.24Å; F234-H246 HydrophobicContact CE1-CB 4.02Å; F234-H246 AromaticContact CE1-CD2 3.61Å; F234-H246 HydrophobicContact CE2-CB 3.75Å; F234-H246 HydrophobicContact CZ-CB 3.63Å; F234-H246 AromaticContact CZ-CD2 3.63Å; F234-H246 AromaticContact CZ-CG 3.65Å; F234-H246 PolarHBondContact N-O 3.13Å; F234-H246 PolarHBondContact O-N 3.44Å; F234-V248 HydrophobicContact CD1-CG2 4.13Å; F234-V248 HydrophobicContact CE1-CG2 4.06Å |
| 235 | A | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | L220 A221 V243 A244 I245 V298 F300 L307 | L220-A235 CarbonylContact C-O 3.37Å; L220-A235 WeakPolarHBondContact CA-O 3.46Å; A221-A235 PolarHBondContact N-O 3.02Å; A221-A235 PolarHBondContact O-N 3.37Å; A235-V243 HydrophobicContact CB-CG1 3.94Å; A235-A244 CarbonylContact C-O 3.54Å; A235-A244 VanDerWaalsContact CA-O 3.28Å; A235-A244 WeakPolarHBondContact CA-O 3.24Å; A235-I245 HydrophobicContact CB-CD1 3.72Å; A235-V298 HydrophobicContact CB-CG1 3.9Å; A235-F300 HydrophobicContact CB-CE2 3.69Å; A235-F300 HydrophobicContact CB-CZ 3.73Å; A235-L307 HydrophobicContact CB-CD2 4.44Å |
| 236 | I | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129.1 | 173.4 | -169.7 | 168.6 | 0 | 0 | 0 | 109.5 | C188 L194 L213 S217 S219 L220 F234 V243 A244 | C188-I236 HydrophobicContact CB-CD1 4.5Å; C188-I236 VanDerWaalsContact SG-CD1 3.58Å; L194-I236 HydrophobicContact CD1-CD1 4.24Å; L194-I236 HydrophobicContact CD2-CD1 3.45Å; L194-I236 VanDerWaalsContact CD2-CD1 3.45Å; L194-I236 HydrophobicContact CG-CD1 4.47Å; L213-I236 HydrophobicContact CD1-CG2 4.08Å; L213-I236 WeakPolarHBondContact CD1-O 3.48Å; S217-I236 WeakPolarHBondContact OG-CD1 3.31Å; S219-I236 CarbonylContact O-C 3.53Å; S219-I236 WeakPolarHBondContact O-CA 3.23Å; S219-I236 WeakPolarHBondContact O-CG1 3.32Å; L220-I236 HydrophobicContact CD1-CB 4.41Å; F234-I236 HydrophobicContact CD2-CB 4.44Å; F234-I236 HydrophobicContact CE2-CG2 4.49Å; I236-V243 CarbonylContact O-C 3.29Å; I236-V243 VanDerWaalsContact O-CA 3.25Å; I236-V243 WeakPolarHBondContact O-CA 3.48Å; I236-A244 HydrophobicContact CG2-CB 3.9Å; I236-A244 PolarHBondContact N-O 3.06Å; I236-A244 PolarHBondContact O-N 2.81Å |
| 237 | G | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 148.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | S217 R218 S219 R242 | S217-G237 CarbonylContact C-O 3.45Å; S217-G237 WeakPolarHBondContact CA-O 3.16Å; R218-G237 PolarHBondContact N-O 3.45Å; S219-G237 PolarHBondContact N-O 2.84Å; S219-G237 PolarHBondContact O-N 3.28Å; S219-G237 WeakPolarHBondContact OG-CA 3.43Å; S219-G237 PolarHBondContact OG-N 3.42Å; G237-R242 WeakPolarHBondContact CA-O 3.48Å |
| 238 | S | 93.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 172.6 | 179.4 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | Q216 E240 G241 R242 V295 | Q216-S238 VanDerWaalsContact O-CA 3.24Å; Q216-S238 WeakPolarHBondContact O-CA 3.38Å; Q216-S238 VanDerWaalsContact O-CB 3.25Å; Q216-S238 WeakPolarHBondContact O-CB 3.26Å; S238-E240 PolarHBondContact O-N 2.91Å; S238-E240 VanDerWaalsContact OG-CG 3.27Å; S238-E240 WeakPolarHBondContact OG-CG 3.12Å; S238-E240 PolarHBondContact OG-OE1 2.94Å; S238-E240 VanDerWaalsContact OG-OE1 3.06Å; S238-G241 PolarHBondContact O-N 3.12Å; S238-R242 PolarHBondContact N-O 3.39Å; S238-V295 PolarHBondContact O-N 3.21Å; S238-V295 VanDerWaalsContact O-N 3.09Å |
| 239 | I | 89.6 | Confident | 95.5 | Very high | 30 Ų | 30 | 27.3 Ų | 27.3 | 15% | 0.154 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 11.4 | 174.8 | 64.1 | 167.5 | 0 | 0 | 0 | 114.6 | Q216 R218 F289 Q294 | Q216-I239 HydrophobicContact CB-CD1 4.02Å; Q216-I239 HydrophobicContact CB-CG1 4.19Å; Q216-I239 PolarHBondContact O-N 2.88Å; R218-I239 HydrophobicContact CB-CG2 4.24Å; I239-F289 HydrophobicContact CD1-CD1 4.08Å; I239-F289 HydrophobicContact CD1-CE1 4.38Å; I239-Q294 HydrophobicContact CB-CG 3.83Å; I239-Q294 HydrophobicContact CG2-CG 4.09Å |
| 240 | E | 88 | Confident | 95.4 | Very high | 22 Ų | 22 | 24.1 Ų | 24.1 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 7.6 | 177.5 | 85.8 | -160.5 | 132.3 | 0 | 0 | 113.5 | K214 Y215 S238 R242 P293 | K214-E240 PolarHBondContact N-OE1 2.86Å; Y215-E240 HydrophobicContact CD2-CB 3.64Å; Y215-E240 HydrophobicContact CD2-CG 4.2Å; Y215-E240 WeakPolarHBondContact CD2-OE2 3.34Å; Y215-E240 HydrophobicContact CE2-CB 4.2Å; Y215-E240 WeakPolarHBondContact CE2-OE2 3.3Å; S238-E240 PolarHBondContact O-N 2.91Å; S238-E240 VanDerWaalsContact OG-CG 3.27Å; S238-E240 WeakPolarHBondContact OG-CG 3.12Å; S238-E240 PolarHBondContact OG-OE1 2.94Å; S238-E240 VanDerWaalsContact OG-OE1 3.06Å; E240-R242 VanDerWaalsContact C-N 3.34Å; E240-R242 VanDerWaalsContact CD-CZ 3.42Å; E240-R242 HydrophobicContact CG-CB 3.94Å; E240-R242 HydrophobicContact CG-CG 3.83Å; E240-R242 IonicContact OE1-CZ 2.68Å; E240-R242 VanDerWaalsContact OE1-CZ 3.27Å; E240-R242 IonicContact OE1-NE 2.89Å; E240-R242 PolarHBondContact OE1-NE 3.33Å; E240-R242 IonicContact OE1-NH2 3.87Å; E240-R242 PolarHBondContact OE1-NH2 2.85Å; E240-R242 IonicContact OE2-CZ 3.22Å; E240-R242 VanDerWaalsContact OE2-CZ 3.25Å; E240-R242 IonicContact OE2-NE 2.78Å; E240-R242 PolarHBondContact OE2-NE 3.48Å; E240-R242 IonicContact OE2-NH2 2.73Å; E240-R242 PolarHBondContact OE2-NH2 2.96Å; E240-P293 CarbonylContact C-O 3.56Å; E240-P293 VanDerWaalsContact C-O 3.29Å |
| 241 | G | 90.4 | Very high | 95 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 78.1 | 24.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S238 K260 C261 H262 P293 | S238-G241 PolarHBondContact O-N 3.12Å; G241-K260 CarbonylContact O-C 3.59Å; G241-K260 WeakPolarHBondContact O-CA 3.32Å; G241-K260 WeakPolarHBondContact O-CG 3.36Å; G241-C261 PolarHBondContact O-N 2.87Å; G241-C261 PolarHBondContact O-SG 3.44Å; G241-H262 PolarHBondContact O-N 2.9Å; G241-P293 WeakPolarHBondContact CA-O 3.29Å; G241-P293 PolarHBondContact N-O 2.99Å |
| 242 | R | 95.3 | Very high | 94.7 | Very high | 61 Ų | 61 | 31 Ų | 31 | 23% | 0.23 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 145.2 | 175.2 | -70.2 | -166.6 | -66.9 | -178.4 | -5.6 | 110.9 | L213 K214 G237 S238 E240 M258 F259 K260 V295 | L213-R242 HydrophobicContact CD2-CB 3.87Å; K214-R242 VanDerWaalsContact CB-NH2 3.34Å; G237-R242 WeakPolarHBondContact CA-O 3.48Å; S238-R242 PolarHBondContact N-O 3.39Å; E240-R242 VanDerWaalsContact C-N 3.34Å; E240-R242 VanDerWaalsContact CD-CZ 3.42Å; E240-R242 HydrophobicContact CG-CB 3.94Å; E240-R242 HydrophobicContact CG-CG 3.83Å; E240-R242 IonicContact OE1-CZ 2.68Å; E240-R242 VanDerWaalsContact OE1-CZ 3.27Å; E240-R242 IonicContact OE1-NE 2.89Å; E240-R242 PolarHBondContact OE1-NE 3.33Å; E240-R242 IonicContact OE1-NH2 3.87Å; E240-R242 PolarHBondContact OE1-NH2 2.85Å; E240-R242 IonicContact OE2-CZ 3.22Å; E240-R242 VanDerWaalsContact OE2-CZ 3.25Å; E240-R242 IonicContact OE2-NE 2.78Å; E240-R242 PolarHBondContact OE2-NE 3.48Å; E240-R242 IonicContact OE2-NH2 2.73Å; E240-R242 PolarHBondContact OE2-NH2 2.96Å; R242-M258 PolarHBondContact NH1-SD 2.84Å; R242-F259 VanDerWaalsContact CA-O 3.26Å; R242-F259 WeakPolarHBondContact CA-O 3.26Å; R242-K260 HydrophobicContact CG-CB 4.36Å; R242-V295 WeakPolarHBondContact O-CG2 3.44Å |
| 243 | V | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.7 | 163.1 | 169.7 | 0 | 0 | 0 | 0 | 108.7 | A235 I236 I245 M258 F259 V295 V298 L307 T309 | A235-V243 HydrophobicContact CB-CG1 3.94Å; I236-V243 CarbonylContact O-C 3.29Å; I236-V243 VanDerWaalsContact O-CA 3.25Å; I236-V243 WeakPolarHBondContact O-CA 3.48Å; V243-I245 HydrophobicContact CG1-CD1 4.04Å; V243-M258 CarbonylContact O-C 3.3Å; V243-M258 WeakPolarHBondContact O-CA 3.39Å; V243-M258 WeakPolarHBondContact O-CB 3.44Å; V243-F259 HydrophobicContact CB-CE1 4.01Å; V243-F259 HydrophobicContact CB-CE2 4.43Å; V243-F259 HydrophobicContact CB-CZ 3.9Å; V243-F259 HydrophobicContact CG1-CE1 3.98Å; V243-F259 HydrophobicContact CG1-CZ 4.08Å; V243-F259 PolarHBondContact N-O 2.94Å; V243-F259 PolarHBondContact O-N 2.85Å; V243-V295 HydrophobicContact CG2-CG1 3.92Å; V243-V295 HydrophobicContact CG2-CG2 4.18Å; V243-V298 HydrophobicContact CG2-CG2 3.97Å; V243-L307 HydrophobicContact CG1-CD2 4.31Å; V243-T309 HydrophobicContact CG2-CG2 3.92Å |
| 244 | A | 98.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P212 L213 A235 I236 F257 M258 | P212-A244 HydrophobicContact CG-CB 3.61Å; L213-A244 HydrophobicContact CD1-CB 4.41Å; L213-A244 HydrophobicContact CD2-CB 3.92Å; L213-A244 HydrophobicContact CG-CB 4.06Å; A235-A244 CarbonylContact C-O 3.54Å; A235-A244 VanDerWaalsContact CA-O 3.28Å; A235-A244 WeakPolarHBondContact CA-O 3.24Å; I236-A244 HydrophobicContact CG2-CB 3.9Å; I236-A244 PolarHBondContact N-O 3.06Å; I236-A244 PolarHBondContact O-N 2.81Å; A244-F257 CarbonylContact C-O 3.52Å; A244-F257 WeakPolarHBondContact CA-O 3.49Å; A244-M258 HydrophobicContact CB-CB 3.97Å |
| 245 | I | 98.6 | Very high | 93.9 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.3 | 169.4 | -57.7 | -56.8 | 0 | 0 | 0 | 107.1 | F223 A235 V243 N256 F257 F259 L307 K321 | F223-I245 HydrophobicContact CE1-CG2 3.79Å; F223-I245 HydrophobicContact CZ-CG2 3.85Å; A235-I245 HydrophobicContact CB-CD1 3.72Å; V243-I245 HydrophobicContact CG1-CD1 4.04Å; I245-N256 WeakPolarHBondContact O-CA 3.21Å; I245-F257 HydrophobicContact CB-CD1 4.18Å; I245-F257 HydrophobicContact CB-CE1 3.79Å; I245-F257 HydrophobicContact CB-CE2 4.45Å; I245-F257 HydrophobicContact CB-CZ 3.94Å; I245-F257 HydrophobicContact CG1-CE1 4.02Å; I245-F257 HydrophobicContact CG1-CE2 3.96Å; I245-F257 HydrophobicContact CG1-CZ 3.61Å; I245-F257 HydrophobicContact CG2-CE1 3.97Å; I245-F257 HydrophobicContact CG2-CZ 4.36Å; I245-F257 PolarHBondContact N-O 3.46Å; I245-F257 PolarHBondContact O-N 3.05Å; I245-F257 VanDerWaalsContact O-N 3.15Å; I245-F259 HydrophobicContact CD1-CE1 4.29Å; I245-F259 HydrophobicContact CG1-CE1 4.02Å; I245-L307 HydrophobicContact CD1-CD2 4.31Å; I245-K321 HydrophobicContact CD1-CB 4.41Å; I245-K321 HydrophobicContact CG1-CB 4.39Å; I245-K321 HydrophobicContact CG2-CD 4.25Å |
| 246 | H | 98.3 | Very high | 93.9 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 11% | 0.111 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 120.9 | -177.5 | -166.6 | 98.4 | 0 | 0 | 0 | 110.9 | M209 G233 F234 N256 | M209-H246 WeakPolarHBondContact CE-NE2 3.42Å; M209-H246 PolarHBondContact SD-CE1 3.41Å; M209-H246 PolarHBondContact SD-NE2 2.96Å; G233-H246 CarbonylContact C-O 3.56Å; G233-H246 WeakPolarHBondContact CA-O 3.39Å; F234-H246 HydrophobicContact CD1-CB 4.49Å; F234-H246 HydrophobicContact CD2-CB 4.24Å; F234-H246 HydrophobicContact CE1-CB 4.02Å; F234-H246 AromaticContact CE1-CD2 3.61Å; F234-H246 HydrophobicContact CE2-CB 3.75Å; F234-H246 HydrophobicContact CZ-CB 3.63Å; F234-H246 AromaticContact CZ-CD2 3.63Å; F234-H246 AromaticContact CZ-CG 3.65Å; F234-H246 PolarHBondContact N-O 3.13Å; F234-H246 PolarHBondContact O-N 3.44Å; H246-N256 WeakPolarHBondContact CA-OD1 3.2Å; H246-N256 PolarHBondContact CE1-ND2 2.84Å; H246-N256 VanDerWaalsContact CE1-ND2 3.33Å; H246-N256 PolarHBondContact ND1-ND2 2.92Å |
| 247 | H | 97.1 | Very high | 93.8 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 13% | 0.134 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.7 | 169.9 | -64.8 | 80.7 | 0 | 0 | 0 | 108.7 | F223 N249 T250 D255 N256 | F223-H247 AromaticContact CE2-CD2 3.7Å; F223-H247 AromaticContact CE2-NE2 3.42Å; F223-H247 WeakPolarHBondContact CE2-NE2 3.37Å; F223-H247 AromaticContact CZ-CD2 3.81Å; F223-H247 AromaticContact CZ-CE1 3.78Å; F223-H247 AromaticContact CZ-NE2 3.58Å; H247-N249 VanDerWaalsContact C-N 3.33Å; H247-N249 PolarHBondContact O-N 2.8Å; H247-T250 HydrophobicContact CB-CG2 4.09Å; H247-D255 PolarHBondContact CE1-O 2.75Å; H247-D255 PolarHBondContact ND1-O 3.02Å; H247-D255 VanDerWaalsContact ND1-O 3.15Å; H247-N256 PolarHBondContact N-OD1 2.88Å |
| 248 | V | 94.5 | Very high | 93.7 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 11% | 0.109 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -37.4 | -174 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | M184 I196 I232 F234 | M184-V248 HydrophobicContact CE-CG2 4.38Å; M184-V248 HydrophobicContact SD-CG2 3.72Å; I196-V248 HydrophobicContact CD1-CG1 4.14Å; I196-V248 HydrophobicContact CD1-CG2 3.88Å; I196-V248 HydrophobicContact CG2-CG1 4.36Å; I232-V248 PolarHBondContact O-N 3.13Å; F234-V248 HydrophobicContact CD1-CG2 4.13Å; F234-V248 HydrophobicContact CE1-CG2 4.06Å |
| 249 | N | 89.2 | Confident | 93.8 | Very high | 146 Ų | 146 | 52.7 Ų | 52.7 | 78% | 0.781 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | 80.5 | 177.4 | -61.2 | -54.1 | 0 | 0 | 0 | 109.5 | H247 | H247-N249 VanDerWaalsContact C-N 3.33Å; H247-N249 PolarHBondContact O-N 2.8Å |
| 250 | T | 89.2 | Confident | 93.9 | Very high | 42 Ų | 42 | 56 Ų | 56 | 26% | 0.258 | 29% | 0.289 | S | S | . | . | trans | -105.7 | 143.3 | 171.3 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | H247 D252 D255 | H247-T250 HydrophobicContact CB-CG2 4.09Å; T250-D252 PolarHBondContact OG1-N 2.84Å; T250-D252 VanDerWaalsContact OG1-N 3.09Å; T250-D252 PolarHBondContact OG1-O 2.98Å; T250-D255 HydrophobicContact CG2-CB 4.24Å; T250-D255 PolarHBondContact OG1-OD2 3.48Å | ||
| 251 | V | 87.8 | Confident | 94 | Very high | 148 Ų | 148 | 55.3 Ų | 55.3 | 90% | 0.897 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -83 | -35.3 | 170.7 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | P253 | V251-P253 WeakPolarHBondContact O-CD 3Š|
| 252 | D | 92.1 | Very high | 94 | Very high | 73 Ų | 73 | 55.3 Ų | 55.3 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -98.7 | 109.9 | 177.9 | -172.3 | -9.3 | 0 | 0 | 0 | 109.8 | T250 K254 D255 | T250-D252 PolarHBondContact OG1-N 2.84Å; T250-D252 VanDerWaalsContact OG1-N 3.09Å; T250-D252 PolarHBondContact OG1-O 2.98Å; D252-K254 PolarHBondContact O-N 3.12Å; D252-K254 VanDerWaalsContact OD1-CB 3.26Å; D252-K254 WeakPolarHBondContact OD1-CB 3.3Å; D252-K254 WeakPolarHBondContact OD1-CG 3.39Å; D252-K254 PolarHBondContact OD1-N 2.84Å; D252-D255 WeakPolarHBondContact O-CB 3.21Å; D252-D255 PolarHBondContact O-N 3.41Å |
| 253 | P | 90.6 | Very high | 93.4 | Very high | 101 Ų | 101 | 60.7 Ų | 60.7 | 66% | 0.656 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -55 | -21.4 | 177 | -25.1 | 34.7 | 0 | 0 | 0 | 113.8 | V251 D255 N256 | V251-P253 WeakPolarHBondContact O-CD 3Å; P253-D255 PolarHBondContact O-N 3.03Å; P253-N256 PolarHBondContact O-N 3.47Å; P253-N256 VanDerWaalsContact O-N 3.13Å |
| 254 | K | 92.8 | Very high | 91.8 | Very high | 148 Ų | 148 | 61.9 Ų | 61.9 | 64% | 0.643 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -67 | -20.9 | 176.5 | -64.9 | 174.1 | -177.7 | 170.1 | 0 | 113.2 | D252 N256 R324 | D252-K254 PolarHBondContact O-N 3.12Å; D252-K254 VanDerWaalsContact OD1-CB 3.26Å; D252-K254 WeakPolarHBondContact OD1-CB 3.3Å; D252-K254 WeakPolarHBondContact OD1-CG 3.39Å; D252-K254 PolarHBondContact OD1-N 2.84Å; K254-N256 PolarHBondContact O-N 2.91Å; K254-R324 PolarHBondContact O-NH1 2.85Å; K254-R324 PolarHBondContact O-NH2 3.06Å |
| 255 | D | 93.9 | Very high | 89.7 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 33% | 0.326 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -63 | -22.9 | 173 | -70.9 | -22 | 0 | 0 | 0 | 111.9 | H247 T250 D252 P253 F257 | H247-D255 PolarHBondContact CE1-O 2.75Å; H247-D255 PolarHBondContact ND1-O 3.02Å; H247-D255 VanDerWaalsContact ND1-O 3.15Å; T250-D255 HydrophobicContact CG2-CB 4.24Å; T250-D255 PolarHBondContact OG1-OD2 3.48Å; D252-D255 WeakPolarHBondContact O-CB 3.21Å; D252-D255 PolarHBondContact O-N 3.41Å; P253-D255 PolarHBondContact O-N 3.03Å; D255-F257 WeakPolarHBondContact O-CD1 3.24Å |
| 256 | N | 97.1 | Very high | 87.5 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 26% | 0.262 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -92.7 | 117.5 | 171.4 | -65.3 | -11.3 | 0 | 0 | 0 | 109 | I245 H246 H247 P253 K254 | I245-N256 WeakPolarHBondContact O-CA 3.21Å; H246-N256 WeakPolarHBondContact CA-OD1 3.2Å; H246-N256 PolarHBondContact CE1-ND2 2.84Å; H246-N256 VanDerWaalsContact CE1-ND2 3.33Å; H246-N256 PolarHBondContact ND1-ND2 2.92Å; H247-N256 PolarHBondContact N-OD1 2.88Å; P253-N256 PolarHBondContact O-N 3.47Å; P253-N256 VanDerWaalsContact O-N 3.13Å; K254-N256 PolarHBondContact O-N 2.91Å |
| 257 | F | 97.3 | Very high | 84.7 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 16% | 0.158 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 166.9 | -177.9 | 66.8 | -84.4 | 0 | 0 | 0 | 110.8 | A244 I245 D255 F259 K321 R324 | A244-F257 CarbonylContact C-O 3.52Å; A244-F257 WeakPolarHBondContact CA-O 3.49Å; I245-F257 HydrophobicContact CB-CD1 4.18Å; I245-F257 HydrophobicContact CB-CE1 3.79Å; I245-F257 HydrophobicContact CB-CE2 4.45Å; I245-F257 HydrophobicContact CB-CZ 3.94Å; I245-F257 HydrophobicContact CG1-CE1 4.02Å; I245-F257 HydrophobicContact CG1-CE2 3.96Å; I245-F257 HydrophobicContact CG1-CZ 3.61Å; I245-F257 HydrophobicContact CG2-CE1 3.97Å; I245-F257 HydrophobicContact CG2-CZ 4.36Å; I245-F257 PolarHBondContact N-O 3.46Å; I245-F257 PolarHBondContact O-N 3.05Å; I245-F257 VanDerWaalsContact O-N 3.15Å; D255-F257 WeakPolarHBondContact O-CD1 3.24Å; F257-F259 HydrophobicContact CD2-CD1 4.16Å; F257-F259 AromaticContact CE2-CD1 3.76Å; F257-F259 HydrophobicContact CE2-CD1 3.76Å; F257-F259 HydrophobicContact CE2-CE1 4.18Å; F257-K321 HydrophobicContact CZ-CB 4.42Å; F257-K321 WeakPolarHBondContact CZ-O 3.37Å; F257-R324 HydrophobicContact CE1-CG 4.24Å; F257-R324 HydrophobicContact CE2-CG 4.04Å; F257-R324 HydrophobicContact CZ-CG 3.83Å |
| 258 | M | 96.2 | Very high | 82 | Confident | 76 Ų | 76 | 80.1 Ų | 80.1 | 37% | 0.374 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 152.2 | 175 | 67.4 | -176.9 | 75.2 | 0 | 0 | 110.6 | P212 L213 R242 V243 A244 | P212-M258 HydrophobicContact CB-CE 3.97Å; P212-M258 VanDerWaalsContact O-CE 3.25Å; P212-M258 WeakPolarHBondContact O-CE 3.35Å; L213-M258 HydrophobicContact CD2-CB 4.29Å; L213-M258 HydrophobicContact CD2-SD 4.19Å; R242-M258 PolarHBondContact NH1-SD 2.84Å; V243-M258 CarbonylContact O-C 3.3Å; V243-M258 WeakPolarHBondContact O-CA 3.39Å; V243-M258 WeakPolarHBondContact O-CB 3.44Å; A244-M258 HydrophobicContact CB-CB 3.97Å |
| 259 | F | 95.3 | Very high | 79.3 | Confident | 38 Ų | 38 | 86.8 Ų | 86.8 | 17% | 0.167 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 156.1 | 179.6 | 62.6 | -82.5 | 0 | 0 | 0 | 110.6 | R242 V243 I245 F257 C261 L307 W319 | R242-F259 VanDerWaalsContact CA-O 3.26Å; R242-F259 WeakPolarHBondContact CA-O 3.26Å; V243-F259 HydrophobicContact CB-CE1 4.01Å; V243-F259 HydrophobicContact CB-CE2 4.43Å; V243-F259 HydrophobicContact CB-CZ 3.9Å; V243-F259 HydrophobicContact CG1-CE1 3.98Å; V243-F259 HydrophobicContact CG1-CZ 4.08Å; V243-F259 PolarHBondContact N-O 2.94Å; V243-F259 PolarHBondContact O-N 2.85Å; I245-F259 HydrophobicContact CD1-CE1 4.29Å; I245-F259 HydrophobicContact CG1-CE1 4.02Å; F257-F259 HydrophobicContact CD2-CD1 4.16Å; F257-F259 AromaticContact CE2-CD1 3.76Å; F257-F259 HydrophobicContact CE2-CD1 3.76Å; F257-F259 HydrophobicContact CE2-CE1 4.18Å; F259-C261 HydrophobicContact CD2-CB 4.32Å; F259-C261 HydrophobicContact CE2-CB 3.99Å; F259-L307 HydrophobicContact CZ-CD2 4.2Å; F259-W319 HydrophobicContact CD2-CD2 4.33Å; F259-W319 AromaticContact CD2-CE3 3.93Å; F259-W319 HydrophobicContact CD2-CE3 3.93Å; F259-W319 HydrophobicContact CD2-CH2 4.01Å; F259-W319 HydrophobicContact CD2-CZ2 4.46Å; F259-W319 AromaticContact CD2-CZ3 3.74Å; F259-W319 HydrophobicContact CD2-CZ3 3.74Å; F259-W319 AromaticContact CE2-CD2 3.55Å; F259-W319 HydrophobicContact CE2-CD2 3.55Å; F259-W319 AromaticContact CE2-CE2 3.77Å; F259-W319 AromaticContact CE2-CE3 3.58Å; F259-W319 HydrophobicContact CE2-CE3 3.58Å; F259-W319 HydrophobicContact CE2-CG 4.09Å; F259-W319 HydrophobicContact CE2-CH2 4.02Å; F259-W319 HydrophobicContact CE2-CZ2 4.05Å; F259-W319 AromaticContact CE2-CZ3 3.8Å; F259-W319 HydrophobicContact CE2-CZ3 3.8Å; F259-W319 HydrophobicContact CZ-CD2 4.24Å; F259-W319 HydrophobicContact CZ-CE3 4.44Å; F259-W319 HydrophobicContact CZ-CG 4.34Å |
| 260 | K | 91.8 | Very high | 76.8 | Confident | 100 Ų | 100 | 83 Ų | 83 | 44% | 0.435 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 119.9 | 176.6 | -167.6 | 173 | -171.5 | 173.4 | 0 | 109.7 | G241 R242 H262 R263 | G241-K260 CarbonylContact O-C 3.59Å; G241-K260 WeakPolarHBondContact O-CA 3.32Å; G241-K260 WeakPolarHBondContact O-CG 3.36Å; R242-K260 HydrophobicContact CG-CB 4.36Å; K260-H262 WeakPolarHBondContact CE-O 3.47Å; K260-R263 HydrophobicContact CD-CG 4.34Å |
| 261 | C | 90.6 | Very high | 74.1 | Confident | 6 Ų | 6 | 89.5 Ų | 89.5 | 4% | 0.041 | 48% | 0.475 | C | S | . | . | trans | -104.3 | -39.3 | -176.8 | 45.9 | 0 | 0 | 0 | 0 | 113.3 | G241 F259 V295 T309 W319 | G241-C261 PolarHBondContact O-N 2.87Å; G241-C261 PolarHBondContact O-SG 3.44Å; F259-C261 HydrophobicContact CD2-CB 4.32Å; F259-C261 HydrophobicContact CE2-CB 3.99Å; C261-V295 WeakPolarHBondContact SG-CG2 3.35Å; C261-T309 HydrophobicContact CB-CG2 4.37Å; C261-W319 VanDerWaalsContact CA-CZ2 3.41Å; C261-W319 HydrophobicContact CB-CH2 3.92Å; C261-W319 HydrophobicContact CB-CZ2 3.29Å | ||
| 262 | H | 90.2 | Very high | 71.9 | Confident | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 46% | 0.458 | C | S | . | . | trans | -114.7 | 142.1 | -178.4 | -65.4 | -76.9 | 0 | 0 | 0 | 111.3 | G241 K260 P293 T309 G311 D313 R315 | G241-H262 PolarHBondContact O-N 2.9Å; K260-H262 WeakPolarHBondContact CE-O 3.47Å; H262-P293 HydrophobicContact CB-CB 3.95Å; H262-P293 HydrophobicContact CB-CG 4.08Å; H262-P293 WeakPolarHBondContact O-CG 3.38Å; H262-T309 WeakPolarHBondContact NE2-CB 3.08Å; H262-T309 PolarHBondContact NE2-OG1 3.03Å; H262-G311 PolarHBondContact CE1-N 3.44Å; H262-D313 WeakPolarHBondContact CA-OD2 3.01Å; H262-D313 WeakPolarHBondContact CB-OD2 3.28Å; H262-D313 IonicContact CE1-OD1 3.56Å; H262-D313 IonicContact CG-OD1 2.93Å; H262-D313 IonicContact CG-OD2 3.83Å; H262-D313 VanDerWaalsContact ND1-CG 3.31Å; H262-D313 IonicContact ND1-OD1 3.57Å; H262-D313 PolarHBondContact ND1-OD1 3.4Å; H262-D313 IonicContact ND1-OD2 3.24Å; H262-D313 PolarHBondContact ND1-OD2 3.4Å; H262-D313 VanDerWaalsContact ND1-OD2 3.17Å; H262-R315 PolarHBondContact CE1-O 3.44Å | ||
| 263 | R | 81.3 | Confident | 69.4 | Low | 174 Ų | 174 | 85.9 Ų | 85.9 | 66% | 0.657 | 45% | 0.453 | S | S | * | . | trans | -132.8 | 133.7 | -176.4 | -63.1 | -175.5 | -173 | -176.7 | 1.7 | 110.8 | K260 P293 D313 | K260-R263 HydrophobicContact CD-CG 4.34Å; R263-P293 VanDerWaalsContact C-CG 3.49Å; R263-P293 VanDerWaalsContact CA-CG 3.49Å; R263-D313 PolarHBondContact N-OD2 3.15Å; R263-D313 VanDerWaalsContact N-OD2 3.13Å; R263-D313 WeakPolarHBondContact O-CB 3.4Å | ||
| 264 | S | 65 | Low | 66.7 | Low | 26 Ų | 26 | 82.2 Ų | 82.2 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | trans | -85.4 | 128.2 | 166.5 | 48.8 | 0 | 0 | 0 | 0 | 108.4 | A291 | S264-A291 WeakPolarHBondContact CB-O 3.36Å; S264-A291 PolarHBondContact OG-O 3.5Å | ||
| 265 | A | 55.5 | Low | 64.1 | Low | 100 Ų | 100 | 80.1 Ų | 80.1 | 83% | 0.826 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -72.9 | -24 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | L267 | A265-L267 PolarHBondContact O-N 3.33Š|
| 266 | E | 51.1 | Low | 61.4 | Low | 124 Ų | 124 | 82.1 Ų | 82.1 | 58% | 0.579 | 46% | 0.46 | S | S | * | . | trans | -72 | 20.3 | -176.4 | -68.6 | 162.7 | -160.4 | 0 | 0 | 114.4 | N268 | E266-N268 PolarHBondContact O-N 3.38Š| ||
| 267 | L | 41 | Very low | 58.6 | Low | 73 Ų | 73 | 82.1 Ų | 82.1 | 38% | 0.382 | 46% | 0.463 | S | S | . | . | trans | -75.2 | 78.9 | 159.4 | -77.8 | 160.4 | 0 | 0 | 0 | 108.2 | A265 N269 | A265-L267 PolarHBondContact O-N 3.33Å; L267-N269 PolarHBondContact O-N 2.61Å | ||
| 268 | N | 39.1 | Very low | 55.8 | Low | 144 Ų | 144 | 86 Ų | 86 | 77% | 0.77 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -55.6 | 117.3 | 165.7 | -90.1 | -13.9 | 0 | 0 | 0 | 108.8 | E266 G270 | E266-N268 PolarHBondContact O-N 3.38Å; N268-G270 VanDerWaalsContact C-N 3.32Å; N268-G270 PolarHBondContact O-N 3.24Å |
| 269 | N | 39.5 | Very low | 53.2 | Low | 157 Ų | 157 | 86.8 Ų | 86.8 | 84% | 0.84 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | 54.1 | 35.6 | 174.8 | -94.1 | 1.4 | 0 | 0 | 0 | 116.4 | L267 Y271 | L267-N269 PolarHBondContact O-N 2.61Å; N269-Y271 VanDerWaalsContact O-CD2 3.23Å; N269-Y271 WeakPolarHBondContact O-CD2 3.34Å; N269-Y271 PolarHBondContact O-N 2.69Å |
| 270 | G | 35.8 | Very low | 50.1 | Low | 67 Ų | 67 | 88.3 Ų | 88.3 | 69% | 0.691 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | 68.7 | -1.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N268 | N268-G270 VanDerWaalsContact C-N 3.32Å; N268-G270 PolarHBondContact O-N 3.24Å |
| 271 | Y | 33 | Very low | 47.5 | Very low | 179 Ų | 179 | 86.1 Ų | 86.1 | 70% | 0.702 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -87.7 | 122.3 | 168.2 | -68 | -78.7 | 0 | 0 | 0 | 108.2 | N269 C273 | N269-Y271 VanDerWaalsContact O-CD2 3.23Å; N269-Y271 WeakPolarHBondContact O-CD2 3.34Å; N269-Y271 PolarHBondContact O-N 2.69Å; Y271-C273 PolarHBondContact O-N 3.02Å; Y271-C273 VanDerWaalsContact O-N 3.11Å |
| 272 | I | 40 | Very low | 45.1 | Very low | 103 Ų | 103 | 90.3 Ų | 90.3 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -41.3 | 120.5 | 150.4 | -63.9 | 167.1 | 0 | 0 | 0 | 105.7 | G274 I288 | I272-G274 VanDerWaalsContact C-N 3.33Å; I272-G274 WeakPolarHBondContact O-CA 3.09Å; I272-G274 PolarHBondContact O-N 2.66Å; I272-I288 HydrophobicContact CG2-CB 4.48Å; I272-I288 HydrophobicContact CG2-CG2 3.64Å |
| 273 | C | 40.3 | Very low | 43 | Very low | 42 Ų | 42 | 100.7 Ų | 100.7 | 28% | 0.284 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -22.2 | 92.6 | -176.9 | -29.1 | 0 | 0 | 0 | 0 | 111.1 | Y271 C277 F280 A291 | Y271-C273 PolarHBondContact O-N 3.02Å; Y271-C273 VanDerWaalsContact O-N 3.11Å; C273-C277 HydrophobicContact CB-CB 4.3Å; C273-F280 WeakPolarHBondContact O-CD2 3.24Å; C273-F280 VanDerWaalsContact O-CE2 3.32Å; C273-F280 WeakPolarHBondContact O-CE2 3.1Å; C273-A291 WeakPolarHBondContact SG-CB 3.18Å |
| 274 | G | 33.6 | Very low | 40.9 | Very low | 24 Ų | 24 | 98.7 Ų | 98.7 | 25% | 0.247 | 58% | 0.582 | C | S | . | * | trans | -75.7 | 177.8 | -173 | 0 | 0 | 0 | 0 | 0 | 110.6 | I272 A276 C277 F280 | I272-G274 VanDerWaalsContact C-N 3.33Å; I272-G274 WeakPolarHBondContact O-CA 3.09Å; I272-G274 PolarHBondContact O-N 2.66Å; G274-A276 PolarHBondContact O-N 3.37Å; G274-C277 PolarHBondContact O-N 3.02Å; G274-F280 VanDerWaalsContact C-CD2 3.42Å; G274-F280 VanDerWaalsContact O-CD2 3.24Å; G274-F280 WeakPolarHBondContact O-CD2 3.16Å | ||
| 275 | P | 37.6 | Very low | 39.5 | Very low | 104 Ų | 104 | 106.1 Ų | 106.1 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.6 | -16 | -178.8 | -26.3 | 32 | 0 | 0 | 0 | 117.3 | F280 | P275-F280 VanDerWaalsContact CA-CD1 3.47Å; P275-F280 HydrophobicContact CB-CD1 3.96Å; P275-F280 HydrophobicContact CB-CE1 3.87Å; P275-F280 HydrophobicContact CB-CG 4.36Å; P275-F280 HydrophobicContact CB-CZ 4.21Å; P275-F280 HydrophobicContact CG-CD1 4.42Å; P275-F280 HydrophobicContact CG-CE1 3.85Å; P275-F280 HydrophobicContact CG-CE2 4.3Å; P275-F280 HydrophobicContact CG-CZ 3.78Å |
| 276 | A | 38.7 | Very low | 38.6 | Very low | 103 Ų | 103 | 103.6 Ų | 103.6 | 85% | 0.851 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -3.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G274 | G274-A276 PolarHBondContact O-N 3.37Š|
| 277 | C | 38 | Very low | 37.9 | Very low | 49 Ų | 49 | 100.8 Ų | 100.8 | 33% | 0.331 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -66.7 | 136.5 | 168.6 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | C273 G274 C279 F280 | C273-C277 HydrophobicContact CB-CB 4.3Å; G274-C277 PolarHBondContact O-N 3.02Å; C277-C279 HydrophobicContact CB-CB 4.36Å; C277-C279 WeakPolarHBondContact CB-SG 3.25Å; C277-C279 PolarHBondContact O-N 3.3Å; C277-C279 WeakPolarHBondContact SG-CB 3.17Å; C277-C279 PolarHBondContact SG-N 3.42Å; C277-C279 CovalentContact SG-SG 2.06Å; C277-C279 PolarHBondContact SG-SG 3.17Å; C277-F280 VanDerWaalsContact O-CB 3.23Å; C277-F280 WeakPolarHBondContact O-CB 3.37Å; C277-F280 PolarHBondContact O-N 3.18Å |
| 278 | A | 38.8 | Very low | 37.9 | Very low | 118 Ų | 118 | 102.2 Ų | 102.2 | 98% | 0.975 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -12.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 279 | C | 40.1 | Very low | 38.2 | Very low | 92 Ų | 92 | 99.7 Ų | 99.7 | 62% | 0.622 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -6.1 | 172.1 | 61.5 | 0 | 0 | 0 | 0 | 114.6 | C277 S281 | C277-C279 HydrophobicContact CB-CB 4.36Å; C277-C279 WeakPolarHBondContact CB-SG 3.25Å; C277-C279 PolarHBondContact O-N 3.3Å; C277-C279 WeakPolarHBondContact SG-CB 3.17Å; C277-C279 PolarHBondContact SG-N 3.42Å; C277-C279 CovalentContact SG-SG 2.06Å; C277-C279 PolarHBondContact SG-SG 3.17Å; C279-S281 PolarHBondContact O-N 2.65Å |
| 280 | F | 31.9 | Very low | 38.5 | Very low | 69 Ų | 69 | 96.4 Ų | 96.4 | 30% | 0.303 | 55% | 0.551 | S | S | . | * | trans | -88.5 | 87.6 | -178.3 | -141.6 | -86.6 | 0 | 0 | 0 | 110.2 | C273 G274 P275 C277 | C273-F280 WeakPolarHBondContact O-CD2 3.24Å; C273-F280 VanDerWaalsContact O-CE2 3.32Å; C273-F280 WeakPolarHBondContact O-CE2 3.1Å; G274-F280 VanDerWaalsContact C-CD2 3.42Å; G274-F280 VanDerWaalsContact O-CD2 3.24Å; G274-F280 WeakPolarHBondContact O-CD2 3.16Å; P275-F280 VanDerWaalsContact CA-CD1 3.47Å; P275-F280 HydrophobicContact CB-CD1 3.96Å; P275-F280 HydrophobicContact CB-CE1 3.87Å; P275-F280 HydrophobicContact CB-CG 4.36Å; P275-F280 HydrophobicContact CB-CZ 4.21Å; P275-F280 HydrophobicContact CG-CD1 4.42Å; P275-F280 HydrophobicContact CG-CE1 3.85Å; P275-F280 HydrophobicContact CG-CE2 4.3Å; P275-F280 HydrophobicContact CG-CZ 3.78Å; C277-F280 VanDerWaalsContact O-CB 3.23Å; C277-F280 WeakPolarHBondContact O-CB 3.37Å; C277-F280 PolarHBondContact O-N 3.18Å | ||
| 281 | S | 35.7 | Very low | 39.2 | Very low | 55 Ų | 55 | 94.4 Ų | 94.4 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | trans | -79.2 | 123.4 | 162.1 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | C279 Y283 F284 | C279-S281 PolarHBondContact O-N 2.65Å; S281-Y283 PolarHBondContact O-N 3.43Å; S281-Y283 PolarHBondContact OG-N 2.93Å; S281-F284 PolarHBondContact O-N 3.23Å | ||
| 282 | P | 41.8 | Very low | 40.4 | Very low | 94 Ų | 94 | 87.6 Ų | 87.6 | 61% | 0.61 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13.1 | 177 | 23 | -31 | 0 | 0 | 0 | 113.4 | F284 | P282-F284 PolarHBondContact O-N 3.09Š|
| 283 | Y | 44.1 | Very low | 42 | Very low | 217 Ų | 217 | 82.9 Ų | 82.9 | 85% | 0.851 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.4 | 171.2 | -82.7 | -85.1 | 0 | 0 | 0 | 113.9 | S281 | S281-Y283 PolarHBondContact O-N 3.43Å; S281-Y283 PolarHBondContact OG-N 2.93Å |
| 284 | F | 37.2 | Very low | 44.3 | Very low | 132 Ų | 132 | 81.4 Ų | 81.4 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | trans | -114.1 | 53.8 | -179.6 | -90.5 | -75.7 | 0 | 0 | 0 | 111.8 | S281 P282 G286 L287 | S281-F284 PolarHBondContact O-N 3.23Å; P282-F284 PolarHBondContact O-N 3.09Å; F284-G286 PolarHBondContact O-N 2.86Å; F284-L287 HydrophobicContact CB-CB 4.36Å; F284-L287 HydrophobicContact CB-CD1 4.32Å; F284-L287 HydrophobicContact CB-CG 4.49Å; F284-L287 HydrophobicContact CD1-CB 4.35Å; F284-L287 HydrophobicContact CD1-CD1 3.07Å; F284-L287 HydrophobicContact CD1-CG 3.6Å; F284-L287 HydrophobicContact CE1-CD1 3.33Å; F284-L287 HydrophobicContact CE1-CG 4.18Å; F284-L287 HydrophobicContact CG-CD1 3.82Å; F284-L287 HydrophobicContact CG-CG 4.39Å; F284-L287 HydrophobicContact CZ-CD1 4.25Å; F284-L287 PolarHBondContact O-N 3.49Å; F284-L287 VanDerWaalsContact O-N 3.09Å | ||
| 285 | F | 37 | Very low | 47.3 | Very low | 182 Ų | 182 | 80.2 Ų | 80.2 | 80% | 0.798 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 2 | 177 | -127.3 | -95.7 | 0 | 0 | 0 | 115.1 | ||
| 286 | G | 36 | Very low | 50.2 | Low | 47 Ų | 47 | 75.3 Ų | 75.3 | 49% | 0.485 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -5.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F284 I288 F289 | F284-G286 PolarHBondContact O-N 2.86Å; G286-I288 PolarHBondContact O-N 3.06Å; G286-F289 WeakPolarHBondContact O-CD2 3.46Å; G286-F289 WeakPolarHBondContact O-CE2 2.97Å |
| 287 | L | 37.5 | Very low | 53 | Low | 65 Ų | 65 | 71.4 Ų | 71.4 | 34% | 0.34 | 40% | 0.395 | S | S | . | . | trans | -101.9 | 48.4 | -172.3 | -68.8 | -179 | 0 | 0 | 0 | 114.7 | F284 F289 F290 | F284-L287 HydrophobicContact CB-CB 4.36Å; F284-L287 HydrophobicContact CB-CD1 4.32Å; F284-L287 HydrophobicContact CB-CG 4.49Å; F284-L287 HydrophobicContact CD1-CB 4.35Å; F284-L287 HydrophobicContact CD1-CD1 3.07Å; F284-L287 HydrophobicContact CD1-CG 3.6Å; F284-L287 HydrophobicContact CE1-CD1 3.33Å; F284-L287 HydrophobicContact CE1-CG 4.18Å; F284-L287 HydrophobicContact CG-CD1 3.82Å; F284-L287 HydrophobicContact CG-CG 4.39Å; F284-L287 HydrophobicContact CZ-CD1 4.25Å; F284-L287 PolarHBondContact O-N 3.49Å; F284-L287 VanDerWaalsContact O-N 3.09Å; L287-F289 HydrophobicContact CD2-CD2 3.89Å; L287-F289 PolarHBondContact O-N 3.2Å; L287-F290 HydrophobicContact CB-CD2 4.09Å; L287-F290 HydrophobicContact CB-CE2 3.76Å; L287-F290 HydrophobicContact CD1-CE2 3.43Å; L287-F290 VanDerWaalsContact CD1-CE2 3.43Å; L287-F290 HydrophobicContact CD1-CZ 3.75Å; L287-F290 HydrophobicContact CD2-CE2 4.39Å; L287-F290 HydrophobicContact CG-CE2 4.06Å | ||
| 288 | I | 40.6 | Very low | 55.9 | Low | 103 Ų | 103 | 69.3 Ų | 69.3 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -55.4 | -7 | 159.4 | -75.8 | 166.6 | 0 | 0 | 0 | 112.2 | I272 G286 | I272-I288 HydrophobicContact CG2-CB 4.48Å; I272-I288 HydrophobicContact CG2-CG2 3.64Å; G286-I288 PolarHBondContact O-N 3.06Å |
| 289 | F | 45.1 | Very low | 58.8 | Low | 91 Ų | 91 | 64.4 Ų | 64.4 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -77.8 | -20.6 | -166 | -67.3 | -71.8 | 0 | 0 | 0 | 116.9 | Y215 I239 G286 L287 A291 | Y215-F289 AromaticContact CD1-CE1 3.65Å; Y215-F289 HydrophobicContact CD1-CE1 3.65Å; Y215-F289 HydrophobicContact CD1-CZ 4.41Å; Y215-F289 AromaticContact CE1-CE1 3.76Å; Y215-F289 HydrophobicContact CE1-CE1 3.76Å; Y215-F289 HydrophobicContact CE1-CZ 4.34Å; I239-F289 HydrophobicContact CD1-CD1 4.08Å; I239-F289 HydrophobicContact CD1-CE1 4.38Å; G286-F289 WeakPolarHBondContact O-CD2 3.46Å; G286-F289 WeakPolarHBondContact O-CE2 2.97Å; L287-F289 HydrophobicContact CD2-CD2 3.89Å; L287-F289 PolarHBondContact O-N 3.2Å; F289-A291 VanDerWaalsContact C-N 3.32Å; F289-A291 PolarHBondContact O-N 3.21Å |
| 290 | F | 45.4 | Very low | 61.6 | Low | 89 Ų | 89 | 61.6 Ų | 61.6 | 39% | 0.39 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -73.9 | -13.3 | -163.5 | -73.9 | -64.8 | 0 | 0 | 0 | 116.8 | L287 K359 | L287-F290 HydrophobicContact CB-CD2 4.09Å; L287-F290 HydrophobicContact CB-CE2 3.76Å; L287-F290 HydrophobicContact CD1-CE2 3.43Å; L287-F290 VanDerWaalsContact CD1-CE2 3.43Å; L287-F290 HydrophobicContact CD1-CZ 3.75Å; L287-F290 HydrophobicContact CD2-CE2 4.39Å; L287-F290 HydrophobicContact CG-CE2 4.06Å; F290-K359 HydrophobicContact CD1-CB 4.28Å; F290-K359 HydrophobicContact CD1-CG 4.34Å |
| 291 | A | 50.3 | Low | 64.7 | Low | 24 Ų | 24 | 58.4 Ų | 58.4 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -119.5 | -3.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S264 C273 F289 | S264-A291 WeakPolarHBondContact CB-O 3.36Å; S264-A291 PolarHBondContact OG-O 3.5Å; C273-A291 WeakPolarHBondContact SG-CB 3.18Å; F289-A291 VanDerWaalsContact C-N 3.32Å; F289-A291 PolarHBondContact O-N 3.21Å |
| 292 | A | 58.2 | Low | 67.6 | Low | 36 Ų | 36 | 59 Ų | 59 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -77.1 | 118.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q294 | A292-Q294 PolarHBondContact O-N 3.08Å; A292-Q294 PolarHBondContact O-NE2 3.35Å |
| 293 | P | 74.5 | Confident | 70.2 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 137.1 | -177.4 | 33 | -40.8 | 0 | 0 | 0 | 109.2 | E240 G241 H262 R263 S312 D313 | E240-P293 CarbonylContact C-O 3.56Å; E240-P293 VanDerWaalsContact C-O 3.29Å; G241-P293 WeakPolarHBondContact CA-O 3.29Å; G241-P293 PolarHBondContact N-O 2.99Å; H262-P293 HydrophobicContact CB-CB 3.95Å; H262-P293 HydrophobicContact CB-CG 4.08Å; H262-P293 WeakPolarHBondContact O-CG 3.38Å; R263-P293 VanDerWaalsContact C-CG 3.49Å; R263-P293 VanDerWaalsContact CA-CG 3.49Å; P293-S312 VanDerWaalsContact CA-OG 3.27Å; P293-S312 WeakPolarHBondContact CA-OG 3.33Å; P293-D313 HydrophobicContact CB-CB 4.1Å |
| 294 | Q | 88.7 | Confident | 72.7 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 150 | -175.4 | -55.6 | 88.1 | 31.2 | 0 | 0 | 110.2 | I239 A292 N296 G311 S312 S358 | I239-Q294 HydrophobicContact CB-CG 3.83Å; I239-Q294 HydrophobicContact CG2-CG 4.09Å; A292-Q294 PolarHBondContact O-N 3.08Å; A292-Q294 PolarHBondContact O-NE2 3.35Å; Q294-N296 PolarHBondContact O-N 3.07Å; Q294-G311 WeakPolarHBondContact O-CA 3.47Å; Q294-S312 PolarHBondContact N-OG 2.82Å; Q294-S312 PolarHBondContact O-N 2.88Å; Q294-S312 VanDerWaalsContact O-N 3.13Å; Q294-S312 PolarHBondContact OE1-OG 2.85Å; Q294-S358 PolarHBondContact OE1-OG 3.22Å |
| 295 | V | 96.3 | Very high | 75.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 101.3 | 165.4 | -165.8 | 0 | 0 | 0 | 0 | 107.2 | S219 S238 R242 V243 C261 V298 V310 | S219-V295 PolarHBondContact OG-O 2.95Å; S238-V295 PolarHBondContact O-N 3.21Å; S238-V295 VanDerWaalsContact O-N 3.09Å; R242-V295 WeakPolarHBondContact O-CG2 3.44Å; V243-V295 HydrophobicContact CG2-CG1 3.92Å; V243-V295 HydrophobicContact CG2-CG2 4.18Å; C261-V295 WeakPolarHBondContact SG-CG2 3.35Å; V295-V298 HydrophobicContact CG1-CG2 3.53Å; V295-V310 CarbonylContact C-O 3.59Å |
| 296 | N | 97.2 | Very high | 78.4 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -36.1 | -174.7 | -81.7 | -25.1 | 0 | 0 | 0 | 112.4 | R218 Q294 V310 I337 D356 | R218-N296 PolarHBondContact NE-OD1 2.77Å; R218-N296 PolarHBondContact NH2-OD1 3.29Å; Q294-N296 PolarHBondContact O-N 3.07Å; N296-V310 HydrophobicContact CB-CG2 4.32Å; N296-V310 PolarHBondContact N-O 3.08Å; N296-I337 WeakPolarHBondContact CB-O 3.23Å; N296-I337 PolarHBondContact ND2-O 2.85Å; N296-D356 PolarHBondContact ND2-OD2 2.79Å; N296-D356 PolarHBondContact OD1-OD2 3.44Å |
| 297 | D | 98.7 | Very high | 81.4 | Confident | 21 Ų | 21 | 33.9 Ų | 33.9 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 157.8 | 177.6 | -154 | -1 | 0 | 0 | 0 | 111.3 | V310 R339 C340 | D297-V310 HydrophobicContact CB-CG2 3.53Å; D297-V310 PolarHBondContact N-O 2.9Å; D297-V310 PolarHBondContact O-N 3.14Å; D297-R339 WeakPolarHBondContact OD2-CA 3.24Å; D297-R339 VanDerWaalsContact OD2-CD 3.23Å; D297-R339 WeakPolarHBondContact OD2-CD 3.42Å; D297-C340 PolarHBondContact OD2-N 3.25Å |
| 298 | V | 98.8 | Very high | 84.3 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.03 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 131.2 | -177.5 | 175.4 | 0 | 0 | 0 | 0 | 108 | S219 A221 A235 V243 V295 L307 A308 T309 | S219-V298 VanDerWaalsContact OG-CG2 3.24Å; S219-V298 WeakPolarHBondContact OG-CG2 3.23Å; A221-V298 HydrophobicContact CB-CG1 4.13Å; A221-V298 WeakPolarHBondContact CB-O 3.33Å; A235-V298 HydrophobicContact CB-CG1 3.9Å; V243-V298 HydrophobicContact CG2-CG2 3.97Å; V295-V298 HydrophobicContact CG1-CG2 3.53Å; V298-L307 HydrophobicContact CG1-CD1 3.17Å; V298-L307 HydrophobicContact CG1-CD2 4.1Å; V298-L307 HydrophobicContact CG1-CG 4.01Å; V298-A308 WeakPolarHBondContact CA-O 3.38Å; V298-T309 HydrophobicContact CG2-CG2 4.19Å |
| 299 | A | 98.8 | Very high | 87.1 | Confident | 14 Ų | 14 | 25.9 Ų | 25.9 | 12% | 0.116 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 138.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L307 A308 F342 | A299-L307 VanDerWaalsContact O-CD1 3.31Å; A299-L307 WeakPolarHBondContact O-CD1 3.47Å; A299-A308 PolarHBondContact N-O 3.5Å; A299-A308 PolarHBondContact O-N 3.4Å; A299-F342 HydrophobicContact CB-CD2 3.96Å; A299-F342 HydrophobicContact CB-CE2 3.82Å |
| 300 | F | 98.7 | Very high | 89.6 | Confident | 33 Ų | 33 | 21.6 Ų | 21.6 | 15% | 0.145 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 137.5 | 172.5 | -76.4 | -79.1 | 0 | 0 | 0 | 111.1 | A221 F223 A235 G305 T306 L307 K321 | A221-F300 HydrophobicContact CB-CD2 3.81Å; A221-F300 HydrophobicContact CB-CE2 3.98Å; A221-F300 WeakPolarHBondContact O-CE2 3.29Å; F223-F300 HydrophobicContact CB-CD1 3.93Å; F223-F300 HydrophobicContact CB-CD2 3.77Å; F223-F300 HydrophobicContact CB-CE1 3.79Å; F223-F300 HydrophobicContact CB-CE2 3.62Å; F223-F300 HydrophobicContact CB-CG 3.93Å; F223-F300 HydrophobicContact CB-CZ 3.62Å; F223-F300 HydrophobicContact CD1-CE1 4.24Å; F223-F300 AromaticContact CD1-CE2 3.78Å; F223-F300 HydrophobicContact CD1-CE2 3.78Å; F223-F300 AromaticContact CD1-CZ 3.48Å; F223-F300 HydrophobicContact CD1-CZ 3.48Å; F223-F300 VanDerWaalsContact CD1-CZ 3.48Å; F223-F300 HydrophobicContact CE1-CZ 4.44Å; F223-F300 HydrophobicContact CG-CE1 4.26Å; F223-F300 HydrophobicContact CG-CE2 4.17Å; F223-F300 AromaticContact CG-CZ 3.89Å; F223-F300 HydrophobicContact CG-CZ 3.89Å; A235-F300 HydrophobicContact CB-CE2 3.69Å; A235-F300 HydrophobicContact CB-CZ 3.73Å; F300-G305 WeakPolarHBondContact CD1-O 3.42Å; F300-T306 CarbonylContact C-O 3.59Å; F300-T306 WeakPolarHBondContact CA-O 3.49Å; F300-L307 HydrophobicContact CD1-CB 4.15Å; F300-L307 HydrophobicContact CD1-CD1 3.83Å; F300-L307 HydrophobicContact CD2-CD1 3.95Å; F300-L307 HydrophobicContact CE1-CB 3.87Å; F300-L307 HydrophobicContact CE1-CD1 3.64Å; F300-L307 HydrophobicContact CE1-CG 4.24Å; F300-L307 HydrophobicContact CE2-CD1 3.75Å; F300-L307 HydrophobicContact CG-CD1 3.98Å; F300-L307 HydrophobicContact CZ-CD1 3.6Å; F300-L307 HydrophobicContact CZ-CG 4.43Å; F300-K321 HydrophobicContact CE1-CD 3.89Å; F300-K321 HydrophobicContact CZ-CD 4.36Å |
| 301 | H | 98.4 | Very high | 92 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | trans | -67.4 | 127.5 | 174.5 | -171.2 | -64.9 | 0 | 0 | 0 | 110 | Q303 H304 G305 T306 F342 G346 F378 M381 | H301-Q303 VanDerWaalsContact C-N 3.31Å; H301-Q303 PolarHBondContact CE1-OE1 3.17Å; H301-Q303 PolarHBondContact ND1-N 3.23Å; H301-Q303 PolarHBondContact ND1-OE1 2.75Å; H301-Q303 PolarHBondContact O-N 2.8Å; H301-H304 HydrophobicContact CB-CB 4.24Å; H301-H304 AromaticContact CD2-CD2 3.98Å; H301-H304 AromaticContact CE1-CD2 3.41Å; H301-H304 PolarHBondContact CE1-CD2 3Å; H301-H304 VanDerWaalsContact CE1-CD2 3.41Å; H301-H304 AromaticContact CE1-CG 3.89Å; H301-H304 AromaticContact CE1-NE2 3.98Å; H301-H304 AromaticContact ND1-CD2 3.8Å; H301-H304 AromaticContact ND1-CG 3.89Å; H301-H304 PolarHBondContact ND1-N 3.23Å; H301-H304 AromaticContact NE2-CD2 3.5Å; H301-H304 PolarHBondContact NE2-CD2 3.22Å; H301-G305 PolarHBondContact O-N 2.56Å; H301-T306 PolarHBondContact N-O 3.41Å; H301-F342 HydrophobicContact CB-CZ 4.49Å; H301-G346 PolarHBondContact NE2-O 3.06Å; H301-F378 AromaticContact CE1-CD2 3.93Å; H301-M381 HydrophobicContact CB-CE 3.71Å; H301-M381 VanDerWaalsContact CD2-CB 3.42Å; H301-M381 WeakPolarHBondContact CD2-CB 3.26Å | ||
| 302 | P | 96.6 | Very high | 94 | Very high | 67 Ų | 67 | 17.6 Ų | 17.6 | 44% | 0.435 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -30.9 | -168.5 | 8.1 | -12.4 | 0 | 0 | 0 | 114.3 | F342 N343 | P302-F342 HydrophobicContact CG-CB 4.16Å; P302-N343 WeakPolarHBondContact CG-O 3.41Å |
| 303 | Q | 95.6 | Very high | 95.6 | Very high | 88 Ų | 88 | 16.8 Ų | 16.8 | 41% | 0.411 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -40.9 | -178.3 | -64.7 | 68 | 19.8 | 0 | 0 | 113 | H301 K344 G345 G346 F378 | H301-Q303 VanDerWaalsContact C-N 3.31Å; H301-Q303 PolarHBondContact CE1-OE1 3.17Å; H301-Q303 PolarHBondContact ND1-N 3.23Å; H301-Q303 PolarHBondContact ND1-OE1 2.75Å; H301-Q303 PolarHBondContact O-N 2.8Å; Q303-K344 PolarHBondContact NE2-O 3.31Å; Q303-G345 PolarHBondContact NE2-O 3.4Å; Q303-G345 VanDerWaalsContact NE2-O 3.13Å; Q303-G345 VanDerWaalsContact OE1-C 3.24Å; Q303-G345 PolarHBondContact OE1-O 2.8Å; Q303-G346 VanDerWaalsContact OE1-CA 3.24Å; Q303-F378 HydrophobicContact CB-CE2 4.29Å; Q303-F378 HydrophobicContact CG-CE2 4.18Å |
| 304 | H | 96.2 | Very high | 96.5 | Very high | 31 Ų | 31 | 16.6 Ų | 16.6 | 14% | 0.144 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -23.6 | -172.1 | -67.7 | -30 | 0 | 0 | 0 | 113.8 | H301 T306 F378 K382 | H301-H304 HydrophobicContact CB-CB 4.24Å; H301-H304 AromaticContact CD2-CD2 3.98Å; H301-H304 AromaticContact CE1-CD2 3.41Å; H301-H304 PolarHBondContact CE1-CD2 3Å; H301-H304 VanDerWaalsContact CE1-CD2 3.41Å; H301-H304 AromaticContact CE1-CG 3.89Å; H301-H304 AromaticContact CE1-NE2 3.98Å; H301-H304 AromaticContact ND1-CD2 3.8Å; H301-H304 AromaticContact ND1-CG 3.89Å; H301-H304 PolarHBondContact ND1-N 3.23Å; H301-H304 AromaticContact NE2-CD2 3.5Å; H301-H304 PolarHBondContact NE2-CD2 3.22Å; H304-T306 HydrophobicContact CB-CG2 4.31Å; H304-T306 WeakPolarHBondContact CB-OG1 3.33Å; H304-T306 PolarHBondContact O-N 3.09Å; H304-F378 PolarHBondContact CD2-O 2.94Å; H304-F378 AromaticContact CE1-CE1 3.92Å; H304-F378 AromaticContact CE1-CZ 3.75Å; H304-F378 AromaticContact NE2-CD1 3.94Å; H304-F378 AromaticContact NE2-CE1 3.77Å; H304-F378 AromaticContact NE2-CE2 3.94Å; H304-F378 AromaticContact NE2-CZ 3.77Å; H304-F378 PolarHBondContact NE2-O 2.81Å; H304-K382 WeakPolarHBondContact NE2-CG 3.31Å |
| 305 | G | 96.9 | Very high | 96.8 | Very high | 25 Ų | 25 | 19.8 Ų | 19.8 | 26% | 0.258 | 11% | 0.109 | S | C | . | . | trans | 68.2 | 7.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F300 H301 | F300-G305 WeakPolarHBondContact CD1-O 3.42Å; H301-G305 PolarHBondContact O-N 2.56Å | ||
| 306 | T | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | trans | -74.9 | 167.6 | 168.7 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | F300 H301 H304 W319 D320 L327 M381 P383 | F300-T306 CarbonylContact C-O 3.59Å; F300-T306 WeakPolarHBondContact CA-O 3.49Å; H301-T306 PolarHBondContact N-O 3.41Å; H304-T306 HydrophobicContact CB-CG2 4.31Å; H304-T306 WeakPolarHBondContact CB-OG1 3.33Å; H304-T306 PolarHBondContact O-N 3.09Å; T306-W319 WeakPolarHBondContact CA-O 3.48Å; T306-W319 VanDerWaalsContact CB-O 3.27Å; T306-W319 WeakPolarHBondContact CB-O 3.31Å; T306-D320 HydrophobicContact CG2-CB 4.31Å; T306-L327 HydrophobicContact CG2-CD1 3.98Å; T306-M381 WeakPolarHBondContact CB-O 3.27Å; T306-M381 WeakPolarHBondContact CG2-O 3.4Å; T306-M381 WeakPolarHBondContact OG1-CE 3.26Å; T306-M381 PolarHBondContact OG1-O 2.93Å; T306-P383 HydrophobicContact CG2-CB 4.44Å; T306-P383 HydrophobicContact CG2-CG 3.9Å | ||
| 307 | L | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.7 | -166.9 | -178.5 | 69 | 0 | 0 | 0 | 111.5 | A235 V243 I245 F259 V298 A299 F300 T309 F318 W319 | A235-L307 HydrophobicContact CB-CD2 4.44Å; V243-L307 HydrophobicContact CG1-CD2 4.31Å; I245-L307 HydrophobicContact CD1-CD2 4.31Å; F259-L307 HydrophobicContact CZ-CD2 4.2Å; V298-L307 HydrophobicContact CG1-CD1 3.17Å; V298-L307 HydrophobicContact CG1-CD2 4.1Å; V298-L307 HydrophobicContact CG1-CG 4.01Å; A299-L307 VanDerWaalsContact O-CD1 3.31Å; A299-L307 WeakPolarHBondContact O-CD1 3.47Å; F300-L307 HydrophobicContact CD1-CB 4.15Å; F300-L307 HydrophobicContact CD1-CD1 3.83Å; F300-L307 HydrophobicContact CD2-CD1 3.95Å; F300-L307 HydrophobicContact CE1-CB 3.87Å; F300-L307 HydrophobicContact CE1-CD1 3.64Å; F300-L307 HydrophobicContact CE1-CG 4.24Å; F300-L307 HydrophobicContact CE2-CD1 3.75Å; F300-L307 HydrophobicContact CG-CD1 3.98Å; F300-L307 HydrophobicContact CZ-CD1 3.6Å; F300-L307 HydrophobicContact CZ-CG 4.43Å; L307-T309 HydrophobicContact CD2-CG2 3.94Å; L307-T309 HydrophobicContact CG-CG2 4.21Å; L307-F318 CarbonylContact O-C 3.51Å; L307-F318 WeakPolarHBondContact O-CA 3.4Å; L307-W319 HydrophobicContact CB-CB 4.3Å; L307-W319 PolarHBondContact N-O 2.66Å; L307-W319 PolarHBondContact O-N 2.79Å |
| 308 | A | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 140.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V298 A299 S317 F318 F342 F349 | V298-A308 WeakPolarHBondContact CA-O 3.38Å; A299-A308 PolarHBondContact N-O 3.5Å; A299-A308 PolarHBondContact O-N 3.4Å; A308-S317 CarbonylContact C-O 3.53Å; A308-S317 WeakPolarHBondContact CA-O 3.43Å; A308-F318 HydrophobicContact CB-CD1 3.78Å; A308-F318 HydrophobicContact CB-CE1 3.85Å; A308-F342 HydrophobicContact CB-CE2 3.95Å; A308-F342 HydrophobicContact CB-CZ 3.69Å; A308-F349 HydrophobicContact CB-CD2 4.31Å; A308-F349 HydrophobicContact CB-CE2 3.56Å; A308-F349 HydrophobicContact CB-CZ 4Å |
| 309 | T | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 141 | 168.8 | 68.2 | 0 | 0 | 0 | 0 | 109.1 | V243 C261 H262 V298 L307 Y316 S317 W319 | V243-T309 HydrophobicContact CG2-CG2 3.92Å; C261-T309 HydrophobicContact CB-CG2 4.37Å; H262-T309 WeakPolarHBondContact NE2-CB 3.08Å; H262-T309 PolarHBondContact NE2-OG1 3.03Å; V298-T309 HydrophobicContact CG2-CG2 4.19Å; L307-T309 HydrophobicContact CD2-CG2 3.94Å; L307-T309 HydrophobicContact CG-CG2 4.21Å; T309-Y316 CarbonylContact O-C 3.51Å; T309-Y316 VanDerWaalsContact O-CA 3.26Å; T309-Y316 WeakPolarHBondContact O-CA 3.35Å; T309-S317 PolarHBondContact N-O 2.85Å; T309-S317 PolarHBondContact O-N 3.29Å; T309-W319 PolarHBondContact OG1-NE1 2.8Å |
| 310 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.5 | 174.2 | -54.4 | 0 | 0 | 0 | 0 | 110.5 | V295 N296 D297 I337 C340 F349 | V295-V310 CarbonylContact C-O 3.59Å; N296-V310 HydrophobicContact CB-CG2 4.32Å; N296-V310 PolarHBondContact N-O 3.08Å; D297-V310 HydrophobicContact CB-CG2 3.53Å; D297-V310 PolarHBondContact N-O 2.9Å; D297-V310 PolarHBondContact O-N 3.14Å; V310-I337 HydrophobicContact CB-CB 3.84Å; V310-I337 HydrophobicContact CB-CG2 3.46Å; V310-I337 VanDerWaalsContact CB-CG2 3.46Å; V310-I337 HydrophobicContact CG1-CB 4.49Å; V310-I337 HydrophobicContact CG1-CG2 3.72Å; V310-I337 HydrophobicContact CG2-CB 4.4Å; V310-I337 HydrophobicContact CG2-CG2 3.86Å; V310-C340 HydrophobicContact CG1-CB 3.66Å; V310-C340 HydrophobicContact CG2-CB 4.28Å; V310-F349 HydrophobicContact CG1-CZ 3.86Å |
| 311 | G | 95 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 175 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | H262 Q294 D313 G314 R315 I337 | H262-G311 PolarHBondContact CE1-N 3.44Å; Q294-G311 WeakPolarHBondContact O-CA 3.47Å; G311-D313 PolarHBondContact O-N 3.46Å; G311-G314 PolarHBondContact O-N 2.88Å; G311-G314 VanDerWaalsContact O-N 3.15Å; G311-R315 PolarHBondContact N-O 3.24Å; G311-I337 PolarHBondContact O-N 3.06Å |
| 312 | S | 92 | Very high | 96.5 | Very high | 29 Ų | 29 | 21.6 Ų | 21.6 | 20% | 0.203 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -7.6 | -178.7 | 69.9 | 0 | 0 | 0 | 0 | 114.5 | P293 Q294 G314 D356 | P293-S312 VanDerWaalsContact CA-OG 3.27Å; P293-S312 WeakPolarHBondContact CA-OG 3.33Å; Q294-S312 PolarHBondContact N-OG 2.82Å; Q294-S312 PolarHBondContact O-N 2.88Å; Q294-S312 VanDerWaalsContact O-N 3.13Å; Q294-S312 PolarHBondContact OE1-OG 2.85Å; S312-G314 PolarHBondContact O-N 3.3Å; S312-D356 WeakPolarHBondContact CB-OD2 3.46Å |
| 313 | D | 91.5 | Very high | 96.4 | Very high | 20 Ų | 20 | 20.8 Ų | 20.8 | 11% | 0.107 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 2.5 | 168 | 65.4 | -5 | 0 | 0 | 0 | 113.6 | H262 R263 P293 G311 R315 | H262-D313 WeakPolarHBondContact CA-OD2 3.01Å; H262-D313 WeakPolarHBondContact CB-OD2 3.28Å; H262-D313 IonicContact CE1-OD1 3.56Å; H262-D313 IonicContact CG-OD1 2.93Å; H262-D313 IonicContact CG-OD2 3.83Å; H262-D313 VanDerWaalsContact ND1-CG 3.31Å; H262-D313 IonicContact ND1-OD1 3.57Å; H262-D313 PolarHBondContact ND1-OD1 3.4Å; H262-D313 IonicContact ND1-OD2 3.24Å; H262-D313 PolarHBondContact ND1-OD2 3.4Å; H262-D313 VanDerWaalsContact ND1-OD2 3.17Å; R263-D313 PolarHBondContact N-OD2 3.15Å; R263-D313 VanDerWaalsContact N-OD2 3.13Å; R263-D313 WeakPolarHBondContact O-CB 3.4Å; P293-D313 HydrophobicContact CB-CB 4.1Å; G311-D313 PolarHBondContact O-N 3.46Å; D313-R315 VanDerWaalsContact C-N 3.32Å; D313-R315 PolarHBondContact O-NH1 3.17Å; D313-R315 PolarHBondContact OD1-N 2.82Å |
| 314 | G | 93.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 75.3 | 20.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G311 S312 C333 Q335 | G311-G314 PolarHBondContact O-N 2.88Å; G311-G314 VanDerWaalsContact O-N 3.15Å; S312-G314 PolarHBondContact O-N 3.3Å; G314-C333 WeakPolarHBondContact O-CB 3.11Å; G314-C333 PolarHBondContact O-N 3.47Å; G314-Q335 VanDerWaalsContact CA-O 3.31Å; G314-Q335 WeakPolarHBondContact CA-O 3.25Å |
| 315 | R | 96.6 | Very high | 96.3 | Very high | 76 Ų | 76 | 23.4 Ų | 23.4 | 29% | 0.287 | 13% | 0.125 | S | C | . | . | trans | -124 | 152 | -178.8 | -66.4 | -177.2 | 179.7 | 86.3 | -7.5 | 112.2 | H262 G311 D313 V329 S330 K332 | H262-R315 PolarHBondContact CE1-O 3.44Å; G311-R315 PolarHBondContact N-O 3.24Å; D313-R315 VanDerWaalsContact C-N 3.32Å; D313-R315 PolarHBondContact O-NH1 3.17Å; D313-R315 PolarHBondContact OD1-N 2.82Å; R315-V329 HydrophobicContact CB-CG1 4.43Å; R315-S330 VanDerWaalsContact CA-OG 3.31Å; R315-S330 WeakPolarHBondContact CA-OG 3.4Å; R315-K332 HydrophobicContact CG-CB 4.32Å | ||
| 316 | Y | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 153.8 | 159.3 | 65.6 | -100.3 | 0 | 0 | 0 | 109.7 | T309 F318 S330 I337 F349 Y351 H375 | T309-Y316 CarbonylContact O-C 3.51Å; T309-Y316 VanDerWaalsContact O-CA 3.26Å; T309-Y316 WeakPolarHBondContact O-CA 3.35Å; Y316-F318 HydrophobicContact CD2-CD1 4.15Å; Y316-F318 AromaticContact CD2-CE1 3.63Å; Y316-F318 HydrophobicContact CD2-CE1 3.63Å; Y316-F318 HydrophobicContact CD2-CE2 4.34Å; Y316-F318 AromaticContact CD2-CZ 3.73Å; Y316-F318 HydrophobicContact CD2-CZ 3.73Å; Y316-F318 AromaticContact CE2-CE1 3.96Å; Y316-F318 HydrophobicContact CE2-CE1 3.96Å; Y316-F318 AromaticContact CE2-CE2 3.88Å; Y316-F318 HydrophobicContact CE2-CE2 3.88Å; Y316-F318 AromaticContact CE2-CZ 3.54Å; Y316-F318 HydrophobicContact CE2-CZ 3.54Å; Y316-S330 PolarHBondContact N-OG 2.9Å; Y316-S330 PolarHBondContact O-N 2.85Å; Y316-I337 HydrophobicContact CD1-CD1 4.03Å; Y316-F349 HydrophobicContact CD1-CE1 4.03Å; Y316-F349 HydrophobicContact CD2-CE1 4.05Å; Y316-F349 AromaticContact CG-CE1 3.76Å; Y316-F349 HydrophobicContact CG-CE1 3.76Å; Y316-F349 HydrophobicContact CG-CZ 4.45Å; Y316-Y351 HydrophobicContact CD1-CD1 4.22Å; Y316-Y351 HydrophobicContact CD1-CD2 4.45Å; Y316-Y351 HydrophobicContact CD1-CE1 4.03Å; Y316-Y351 HydrophobicContact CD1-CE2 4.26Å; Y316-Y351 HydrophobicContact CD1-CG 4.41Å; Y316-Y351 HydrophobicContact CE1-CD1 4.28Å; Y316-Y351 AromaticContact CE1-CE1 3.69Å; Y316-Y351 HydrophobicContact CE1-CE1 3.69Å; Y316-Y351 HydrophobicContact CE1-CE2 4.38Å; Y316-Y351 AromaticContact CE1-CZ 3.74Å; Y316-H375 AromaticContact CZ-CD2 3.97Å; Y316-H375 PolarHBondContact OH-CD2 3.27Å; Y316-H375 PolarHBondContact OH-CE1 2.7Å; Y316-H375 VanDerWaalsContact OH-CE1 3.26Å; Y316-H375 PolarHBondContact OH-ND1 2.85Å; Y316-H375 PolarHBondContact OH-NE2 3.19Å; Y316-H375 VanDerWaalsContact OH-NE2 3.13Å |
| 317 | S | 98.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 140.5 | 174.2 | -70.5 | 0 | 0 | 0 | 0 | 110.4 | A308 T309 W319 K328 | A308-S317 CarbonylContact C-O 3.53Å; A308-S317 WeakPolarHBondContact CA-O 3.43Å; T309-S317 PolarHBondContact N-O 2.85Å; T309-S317 PolarHBondContact O-N 3.29Å; S317-W319 VanDerWaalsContact CB-NE1 3.27Å; S317-W319 VanDerWaalsContact O-CD1 3.23Å; S317-W319 PolarHBondContact O-NE1 3.4Å; S317-K328 CarbonylContact C-O 3.6Å; S317-K328 VanDerWaalsContact CA-O 3.32Å; S317-K328 WeakPolarHBondContact CA-O 3.44Å |
| 318 | F | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.2 | 178 | -65 | -20.1 | 0 | 0 | 0 | 109.7 | L307 A308 Y316 K326 L327 K328 F349 H375 C377 E380 M381 | L307-F318 CarbonylContact O-C 3.51Å; L307-F318 WeakPolarHBondContact O-CA 3.4Å; A308-F318 HydrophobicContact CB-CD1 3.78Å; A308-F318 HydrophobicContact CB-CE1 3.85Å; Y316-F318 HydrophobicContact CD2-CD1 4.15Å; Y316-F318 AromaticContact CD2-CE1 3.63Å; Y316-F318 HydrophobicContact CD2-CE1 3.63Å; Y316-F318 HydrophobicContact CD2-CE2 4.34Å; Y316-F318 AromaticContact CD2-CZ 3.73Å; Y316-F318 HydrophobicContact CD2-CZ 3.73Å; Y316-F318 AromaticContact CE2-CE1 3.96Å; Y316-F318 HydrophobicContact CE2-CE1 3.96Å; Y316-F318 AromaticContact CE2-CE2 3.88Å; Y316-F318 HydrophobicContact CE2-CE2 3.88Å; Y316-F318 AromaticContact CE2-CZ 3.54Å; Y316-F318 HydrophobicContact CE2-CZ 3.54Å; F318-K326 WeakPolarHBondContact O-CG 2.97Å; F318-L327 HydrophobicContact CB-CB 3.99Å; F318-L327 PolarHBondContact O-N 2.97Å; F318-K328 HydrophobicContact CB-CB 4.13Å; F318-K328 HydrophobicContact CD2-CB 3.9Å; F318-K328 HydrophobicContact CD2-CD 4.25Å; F318-K328 HydrophobicContact CD2-CG 4.48Å; F318-K328 HydrophobicContact CE2-CD 4.41Å; F318-K328 HydrophobicContact CG-CB 4.36Å; F318-K328 PolarHBondContact N-O 2.81Å; F318-K328 PolarHBondContact O-N 3.17Å; F318-F349 HydrophobicContact CE1-CD1 4.03Å; F318-F349 HydrophobicContact CE1-CD2 4.38Å; F318-F349 HydrophobicContact CE1-CE1 4.04Å; F318-F349 HydrophobicContact CE1-CE2 4.35Å; F318-F349 HydrophobicContact CE1-CG 4.2Å; F318-F349 HydrophobicContact CE1-CZ 4.19Å; F318-F349 HydrophobicContact CZ-CB 4.47Å; F318-F349 AromaticContact CZ-CD1 3.93Å; F318-F349 HydrophobicContact CZ-CD1 3.93Å; F318-F349 HydrophobicContact CZ-CE1 4.32Å; F318-F349 HydrophobicContact CZ-CG 4.15Å; F318-H375 AromaticContact CE2-CD2 3.96Å; F318-H375 AromaticContact CZ-CD2 3.98Å; F318-C377 HydrophobicContact CE2-CB 3.86Å; F318-C377 HydrophobicContact CZ-CB 3.93Å; F318-E380 HydrophobicContact CD2-CB 4.33Å; F318-E380 HydrophobicContact CE2-CB 4.46Å; F318-M381 HydrophobicContact CB-SD 3.31Å; F318-M381 WeakPolarHBondContact CB-SD 3.26Å; F318-M381 HydrophobicContact CD1-CE 4.27Å; F318-M381 HydrophobicContact CD1-CG 4.49Å; F318-M381 HydrophobicContact CD1-SD 3.39Å; F318-M381 WeakPolarHBondContact CD1-SD 3.42Å; F318-M381 HydrophobicContact CD2-CG 3.88Å; F318-M381 HydrophobicContact CD2-SD 3.52Å; F318-M381 VanDerWaalsContact CD2-SD 3.52Å; F318-M381 HydrophobicContact CE1-SD 4.03Å; F318-M381 HydrophobicContact CE2-CG 4.12Å; F318-M381 HydrophobicContact CE2-SD 4.15Å; F318-M381 HydrophobicContact CG-CE 4.48Å; F318-M381 HydrophobicContact CG-CG 4.1Å; F318-M381 HydrophobicContact CG-SD 3.11Å; F318-M381 WeakPolarHBondContact CG-SD 3.36Å; F318-M381 HydrophobicContact CZ-SD 4.38Å |
| 319 | W | 98.5 | Very high | 96.1 | Very high | 20 Ų | 20 | 33.2 Ų | 33.2 | 8% | 0.076 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 140.9 | -169.3 | -49.1 | 86.1 | 0 | 0 | 0 | 111.3 | F259 C261 T306 L307 T309 S317 T325 K326 | F259-W319 HydrophobicContact CD2-CD2 4.33Å; F259-W319 AromaticContact CD2-CE3 3.93Å; F259-W319 HydrophobicContact CD2-CE3 3.93Å; F259-W319 HydrophobicContact CD2-CH2 4.01Å; F259-W319 HydrophobicContact CD2-CZ2 4.46Å; F259-W319 AromaticContact CD2-CZ3 3.74Å; F259-W319 HydrophobicContact CD2-CZ3 3.74Å; F259-W319 AromaticContact CE2-CD2 3.55Å; F259-W319 HydrophobicContact CE2-CD2 3.55Å; F259-W319 AromaticContact CE2-CE2 3.77Å; F259-W319 AromaticContact CE2-CE3 3.58Å; F259-W319 HydrophobicContact CE2-CE3 3.58Å; F259-W319 HydrophobicContact CE2-CG 4.09Å; F259-W319 HydrophobicContact CE2-CH2 4.02Å; F259-W319 HydrophobicContact CE2-CZ2 4.05Å; F259-W319 AromaticContact CE2-CZ3 3.8Å; F259-W319 HydrophobicContact CE2-CZ3 3.8Å; F259-W319 HydrophobicContact CZ-CD2 4.24Å; F259-W319 HydrophobicContact CZ-CE3 4.44Å; F259-W319 HydrophobicContact CZ-CG 4.34Å; C261-W319 VanDerWaalsContact CA-CZ2 3.41Å; C261-W319 HydrophobicContact CB-CH2 3.92Å; C261-W319 HydrophobicContact CB-CZ2 3.29Å; T306-W319 WeakPolarHBondContact CA-O 3.48Å; T306-W319 VanDerWaalsContact CB-O 3.27Å; T306-W319 WeakPolarHBondContact CB-O 3.31Å; L307-W319 HydrophobicContact CB-CB 4.3Å; L307-W319 PolarHBondContact N-O 2.66Å; L307-W319 PolarHBondContact O-N 2.79Å; T309-W319 PolarHBondContact OG1-NE1 2.8Å; S317-W319 VanDerWaalsContact CB-NE1 3.27Å; S317-W319 VanDerWaalsContact O-CD1 3.23Å; S317-W319 PolarHBondContact O-NE1 3.4Å; W319-T325 WeakPolarHBondContact CA-O 3.19Å; W319-K326 HydrophobicContact CD2-CG 4.29Å; W319-K326 HydrophobicContact CE3-CB 3.76Å; W319-K326 HydrophobicContact CE3-CG 3.97Å; W319-K326 HydrophobicContact CH2-CB 4.47Å; W319-K326 HydrophobicContact CH2-CD 4.23Å; W319-K326 HydrophobicContact CH2-CG 4.27Å; W319-K326 HydrophobicContact CZ3-CB 3.76Å; W319-K326 HydrophobicContact CZ3-CD 4.33Å; W319-K326 VanDerWaalsContact CZ3-CE 3.47Å; W319-K326 HydrophobicContact CZ3-CG 3.98Å |
| 320 | D | 97.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 105.3 | 164.5 | -176.8 | -20.6 | 0 | 0 | 0 | 107.8 | T306 D322 A323 R324 T325 L327 P383 R384 | T306-D320 HydrophobicContact CG2-CB 4.31Å; D320-D322 VanDerWaalsContact C-N 3.28Å; D320-D322 PolarHBondContact O-N 3.3Å; D320-D322 PolarHBondContact OD1-N 3.15Å; D320-A323 HydrophobicContact CB-CB 4.1Å; D320-A323 PolarHBondContact OD1-N 2.79Å; D320-A323 WeakPolarHBondContact OD2-CB 3.25Å; D320-R324 CarbonylContact O-C 3.59Å; D320-R324 VanDerWaalsContact O-CA 3.27Å; D320-R324 WeakPolarHBondContact O-CA 3.39Å; D320-R324 PolarHBondContact O-N 3.27Å; D320-T325 PolarHBondContact N-O 2.94Å; D320-T325 PolarHBondContact O-N 3.13Å; D320-L327 HydrophobicContact CB-CD1 4.31Å; D320-L327 HydrophobicContact CB-CD2 4.03Å; D320-L327 HydrophobicContact CB-CG 4.21Å; D320-P383 VanDerWaalsContact OD2-CA 3.3Å; D320-P383 WeakPolarHBondContact OD2-CA 3.33Å; D320-P383 WeakPolarHBondContact OD2-CB 3.23Å; D320-R384 PolarHBondContact OD2-N 3.23Å; D320-R384 VanDerWaalsContact OD2-N 3.14Å |
| 321 | K | 95.5 | Very high | 96 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -29.2 | -178.7 | 68.3 | 164.2 | -179 | 75.5 | 0 | 112.5 | F223 I245 F257 F300 R324 | F223-K321 HydrophobicContact CD1-CD 4.49Å; F223-K321 HydrophobicContact CD2-CD 4.44Å; F223-K321 HydrophobicContact CE2-CD 4.47Å; F223-K321 HydrophobicContact CG-CD 4.44Å; I245-K321 HydrophobicContact CD1-CB 4.41Å; I245-K321 HydrophobicContact CG1-CB 4.39Å; I245-K321 HydrophobicContact CG2-CD 4.25Å; F257-K321 HydrophobicContact CZ-CB 4.42Å; F257-K321 WeakPolarHBondContact CZ-O 3.37Å; F300-K321 HydrophobicContact CE1-CD 3.89Å; F300-K321 HydrophobicContact CZ-CD 4.36Å; K321-R324 WeakPolarHBondContact O-CG 3.27Å; K321-R324 PolarHBondContact O-N 2.74Å |
| 322 | D | 93.3 | Very high | 95.9 | Very high | 72 Ų | 72 | 44.5 Ų | 44.5 | 39% | 0.385 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -39.5 | -174.9 | -56.9 | -39.4 | 0 | 0 | 0 | 110 | K226 D320 R324 | K226-D322 WeakPolarHBondContact CE-OD2 3.27Å; K226-D322 IonicContact NZ-OD2 3.19Å; K226-D322 PolarHBondContact NZ-OD2 3.15Å; D320-D322 VanDerWaalsContact C-N 3.28Å; D320-D322 PolarHBondContact O-N 3.3Å; D320-D322 PolarHBondContact OD1-N 3.15Å; D322-R324 VanDerWaalsContact C-N 3.28Å |
| 323 | A | 94.3 | Very high | 96 | Very high | 49 Ų | 49 | 43.1 Ų | 43.1 | 41% | 0.405 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D320 T325 | D320-A323 HydrophobicContact CB-CB 4.1Å; D320-A323 PolarHBondContact OD1-N 2.79Å; D320-A323 WeakPolarHBondContact OD2-CB 3.25Å; A323-T325 HydrophobicContact CB-CG2 4.25Å; A323-T325 WeakPolarHBondContact O-CG2 3.25Å; A323-T325 PolarHBondContact O-N 3.09Å |
| 324 | R | 95.2 | Very high | 96 | Very high | 131 Ų | 131 | 47.6 Ų | 47.6 | 49% | 0.494 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 39.2 | -172.2 | -51.1 | -174.8 | -169 | -157.4 | -2.4 | 112.6 | K254 F257 D320 K321 D322 | K254-R324 PolarHBondContact O-NH1 2.85Å; K254-R324 PolarHBondContact O-NH2 3.06Å; F257-R324 HydrophobicContact CE1-CG 4.24Å; F257-R324 HydrophobicContact CE2-CG 4.04Å; F257-R324 HydrophobicContact CZ-CG 3.83Å; D320-R324 CarbonylContact O-C 3.59Å; D320-R324 VanDerWaalsContact O-CA 3.27Å; D320-R324 WeakPolarHBondContact O-CA 3.39Å; D320-R324 PolarHBondContact O-N 3.27Å; K321-R324 WeakPolarHBondContact O-CG 3.27Å; K321-R324 PolarHBondContact O-N 2.74Å; D322-R324 VanDerWaalsContact C-N 3.28Å |
| 325 | T | 95.5 | Very high | 96 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 154.5 | -178.4 | 61.3 | 0 | 0 | 0 | 0 | 112 | W319 D320 A323 | W319-T325 WeakPolarHBondContact CA-O 3.19Å; D320-T325 PolarHBondContact N-O 2.94Å; D320-T325 PolarHBondContact O-N 3.13Å; A323-T325 HydrophobicContact CB-CG2 4.25Å; A323-T325 WeakPolarHBondContact O-CG2 3.25Å; A323-T325 PolarHBondContact O-N 3.09Å |
| 326 | K | 96 | Very high | 95.9 | Very high | 85 Ų | 85 | 45.7 Ų | 45.7 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.7 | 169.2 | -170.4 | -174.1 | -70 | -169.2 | 0 | 109.7 | F318 W319 V329 R384 | F318-K326 WeakPolarHBondContact O-CG 2.97Å; W319-K326 HydrophobicContact CD2-CG 4.29Å; W319-K326 HydrophobicContact CE3-CB 3.76Å; W319-K326 HydrophobicContact CE3-CG 3.97Å; W319-K326 HydrophobicContact CH2-CB 4.47Å; W319-K326 HydrophobicContact CH2-CD 4.23Å; W319-K326 HydrophobicContact CH2-CG 4.27Å; W319-K326 HydrophobicContact CZ3-CB 3.76Å; W319-K326 HydrophobicContact CZ3-CD 4.33Å; W319-K326 VanDerWaalsContact CZ3-CE 3.47Å; W319-K326 HydrophobicContact CZ3-CG 3.98Å; K326-V329 HydrophobicContact CD-CG2 3.29Å; K326-V329 HydrophobicContact CG-CG2 4.46Å; K326-R384 PolarHBondContact O-NH2 3.23Å |
| 327 | L | 97.5 | Very high | 95.9 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -50.9 | 176.8 | -59.6 | 177.4 | 0 | 0 | 0 | 111.1 | T306 F318 D320 R384 | T306-L327 HydrophobicContact CG2-CD1 3.98Å; F318-L327 HydrophobicContact CB-CB 3.99Å; F318-L327 PolarHBondContact O-N 2.97Å; D320-L327 HydrophobicContact CB-CD1 4.31Å; D320-L327 HydrophobicContact CB-CD2 4.03Å; D320-L327 HydrophobicContact CB-CG 4.21Å; L327-R384 HydrophobicContact CD2-CG 3.86Å |
| 328 | K | 97.2 | Very high | 95.8 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 155.8 | -176.9 | -176.3 | 171.5 | 177.2 | 176.1 | 0 | 112.3 | S317 F318 H375 E380 | S317-K328 CarbonylContact C-O 3.6Å; S317-K328 VanDerWaalsContact CA-O 3.32Å; S317-K328 WeakPolarHBondContact CA-O 3.44Å; F318-K328 HydrophobicContact CB-CB 4.13Å; F318-K328 HydrophobicContact CD2-CB 3.9Å; F318-K328 HydrophobicContact CD2-CD 4.25Å; F318-K328 HydrophobicContact CD2-CG 4.48Å; F318-K328 HydrophobicContact CE2-CD 4.41Å; F318-K328 HydrophobicContact CG-CB 4.36Å; F318-K328 PolarHBondContact N-O 2.81Å; F318-K328 PolarHBondContact O-N 3.17Å; K328-H375 PolarHBondContact NZ-CE1 3.29Å; K328-H375 PolarHBondContact NZ-NE2 2.9Å; K328-H375 VanDerWaalsContact NZ-NE2 3.13Å; K328-E380 HydrophobicContact CD-CB 4.43Å; K328-E380 WeakPolarHBondContact CD-OE2 3.3Å; K328-E380 WeakPolarHBondContact CE-OE2 3.45Å; K328-E380 IonicContact NZ-OE1 2.63Å; K328-E380 PolarHBondContact NZ-OE1 2.99Å; K328-E380 IonicContact NZ-OE2 3.25Å; K328-E380 PolarHBondContact NZ-OE2 3.35Å |
| 329 | V | 97.2 | Very high | 95.9 | Very high | 58 Ų | 58 | 46.5 Ų | 46.5 | 35% | 0.352 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.3 | 164.1 | -168.6 | 0 | 0 | 0 | 0 | 107.8 | R315 K326 | R315-V329 HydrophobicContact CB-CG1 4.43Å; K326-V329 HydrophobicContact CD-CG2 3.29Å; K326-V329 HydrophobicContact CG-CG2 4.46Å |
| 330 | S | 97.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -76.8 | 163.8 | 170.3 | 78.8 | 0 | 0 | 0 | 0 | 112.7 | N30 R315 Y316 | N30-S330 WeakPolarHBondContact OD1-CB 3.48Å; R315-S330 VanDerWaalsContact CA-OG 3.31Å; R315-S330 WeakPolarHBondContact CA-OG 3.4Å; Y316-S330 PolarHBondContact N-OG 2.9Å; Y316-S330 PolarHBondContact O-N 2.85Å |
| 331 | E | 96.1 | Very high | 96 | Very high | 124 Ų | 124 | 46.1 Ų | 46.1 | 58% | 0.579 | 23% | 0.227 | S | C | * | . | P | Polyproline II helix | trans | -65 | 156.9 | 158.6 | -64.7 | -56.7 | 150.7 | 0 | 0 | 110.8 | P29 N30 C333 | P29-E331 HydrophobicContact CB-CB 3.83Å; P29-E331 HydrophobicContact CG-CB 4.15Å; N30-E331 PolarHBondContact ND2-O 3.33Å; N30-E331 WeakPolarHBondContact OD1-CB 3.14Å; N30-E331 PolarHBondContact OD1-N 2.98Å; E331-C333 PolarHBondContact O-N 2.87Å |
| 332 | K | 94.2 | Very high | 96.1 | Very high | 108 Ų | 108 | 46.3 Ų | 46.3 | 47% | 0.47 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -77 | 118.5 | -177.1 | -176.9 | 177.3 | 177.9 | -169.7 | 0 | 111.1 | P29 R315 | P29-K332 WeakPolarHBondContact CG-O 3.43Å; R315-K332 HydrophobicContact CG-CB 4.32Å |
| 333 | C | 94.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 159 | 168.4 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | G314 E331 Q335 V353 | G314-C333 WeakPolarHBondContact O-CB 3.11Å; G314-C333 PolarHBondContact O-N 3.47Å; E331-C333 PolarHBondContact O-N 2.87Å; C333-Q335 PolarHBondContact O-N 3.41Å; C333-V353 HydrophobicContact CB-CG1 4.02Å; C333-V353 HydrophobicContact CB-CG2 4.06Å |
| 334 | Q | 91.5 | Very high | 96.5 | Very high | 114 Ų | 114 | 43.5 Ų | 43.5 | 53% | 0.533 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -67.9 | -23 | -178.7 | -63.3 | -175.8 | -1.8 | 0 | 0 | 113.7 | A26 | A26-Q334 PolarHBondContact O-NE2 2.77Š|
| 335 | Q | 93.1 | Very high | 96.6 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -127.1 | 166.2 | 178.6 | -58.2 | -165.3 | 83.4 | 0 | 0 | 110.6 | G314 C333 V353 L368 K369 | G314-Q335 VanDerWaalsContact CA-O 3.31Å; G314-Q335 WeakPolarHBondContact CA-O 3.25Å; C333-Q335 PolarHBondContact O-N 3.41Å; Q335-V353 HydrophobicContact CB-CG1 3.74Å; Q335-L368 HydrophobicContact CG-CD1 4.03Å; Q335-K369 PolarHBondContact NE2-O 3.35Å |
| 336 | P | 94.1 | Very high | 96.7 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 14% | 0.143 | 18% | 0.18 | C | C | . | . | trans | -47.2 | 147.2 | 166.8 | -33.7 | 40.9 | 0 | 0 | 0 | 113.4 | V353 S354 D356 | P336-V353 WeakPolarHBondContact O-CA 3.31Å; P336-S354 PolarHBondContact O-N 3.43Å; P336-S354 VanDerWaalsContact O-N 3.12Å; P336-S354 VanDerWaalsContact O-O 3.14Å; P336-D356 HydrophobicContact CB-CB 3.88Å; P336-D356 HydrophobicContact CG-CB 4.33Å | ||
| 337 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 120.3 | 164 | -54.7 | -173.3 | 0 | 0 | 0 | 107.4 | N296 V310 G311 Y316 Y351 S352 V353 | N296-I337 WeakPolarHBondContact CB-O 3.23Å; N296-I337 PolarHBondContact ND2-O 2.85Å; V310-I337 HydrophobicContact CB-CB 3.84Å; V310-I337 HydrophobicContact CB-CG2 3.46Å; V310-I337 VanDerWaalsContact CB-CG2 3.46Å; V310-I337 HydrophobicContact CG1-CB 4.49Å; V310-I337 HydrophobicContact CG1-CG2 3.72Å; V310-I337 HydrophobicContact CG2-CB 4.4Å; V310-I337 HydrophobicContact CG2-CG2 3.86Å; G311-I337 PolarHBondContact O-N 3.06Å; Y316-I337 HydrophobicContact CD1-CD1 4.03Å; I337-Y351 HydrophobicContact CD1-CD2 3.76Å; I337-Y351 HydrophobicContact CD1-CE2 4.01Å; I337-Y351 HydrophobicContact CG1-CD2 4.28Å; I337-Y351 HydrophobicContact CG2-CD2 3.9Å; I337-Y351 HydrophobicContact CG2-CG 4.31Å; I337-S352 CarbonylContact C-O 3.45Å; I337-S352 WeakPolarHBondContact CA-O 2.99Å; I337-S352 VanDerWaalsContact CG2-O 3.3Å; I337-S352 WeakPolarHBondContact CG2-O 3.39Å; I337-V353 HydrophobicContact CG1-CG2 4.25Å |
| 338 | T | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -37.1 | -168 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | I43 S352 S354 D356 | I43-T338 WeakPolarHBondContact O-CB 3.32Å; I43-T338 PolarHBondContact O-OG1 2.67Å; T338-S352 PolarHBondContact N-O 2.89Å; T338-S352 PolarHBondContact OG1-OG 2.73Å; T338-S354 VanDerWaalsContact CG2-O 3.3Å; T338-S354 WeakPolarHBondContact CG2-O 3.45Å; T338-S354 WeakPolarHBondContact CG2-OG 3.27Å; T338-S354 PolarHBondContact OG1-OG 3.26Å; T338-D356 HydrophobicContact CG2-CB 3.74Å |
| 339 | R | 98.9 | Very high | 96.9 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 7% | 0.068 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 156.2 | -179.9 | -67.7 | -62.4 | -176.3 | -89.2 | -3.5 | 111.5 | Q44 L46 D297 Y351 S352 | Q44-R339 PolarHBondContact O-NE 3.12Å; Q44-R339 PolarHBondContact O-NH2 2.63Å; L46-R339 HydrophobicContact CB-CB 3.72Å; D297-R339 WeakPolarHBondContact OD2-CA 3.24Å; D297-R339 VanDerWaalsContact OD2-CD 3.23Å; D297-R339 WeakPolarHBondContact OD2-CD 3.42Å; R339-Y351 CarbonylContact O-C 3.57Å; R339-Y351 VanDerWaalsContact O-CA 3.26Å; R339-Y351 WeakPolarHBondContact O-CA 3.4Å; R339-S352 WeakPolarHBondContact CB-OG 3.11Å; R339-S352 PolarHBondContact N-OG 3.13Å; R339-S352 PolarHBondContact O-N 3.22Å; R339-S352 PolarHBondContact O-OG 3.13Å |
| 340 | C | 98.9 | Very high | 97 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 152.8 | 172.1 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | D297 V310 F349 A350 | D297-C340 PolarHBondContact OD2-N 3.25Å; V310-C340 HydrophobicContact CG1-CB 3.66Å; V310-C340 HydrophobicContact CG2-CB 4.28Å; C340-F349 HydrophobicContact CB-CD2 4.48Å; C340-F349 HydrophobicContact CB-CE2 3.43Å; C340-F349 VanDerWaalsContact CB-CE2 3.43Å; C340-F349 HydrophobicContact CB-CZ 3.47Å; C340-F349 VanDerWaalsContact CB-CZ 3.47Å; C340-A350 CarbonylContact C-O 3.58Å; C340-A350 WeakPolarHBondContact CA-O 3.45Å; C340-A350 WeakPolarHBondContact CB-O 3.43Å |
| 341 | C | 98.9 | Very high | 97.1 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 9% | 0.088 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 163.8 | 171.3 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | F48 A350 | F48-C341 WeakPolarHBondContact CD2-SG 3.38Å; C341-A350 PolarHBondContact N-O 3.49Å; C341-A350 PolarHBondContact O-N 3.19Å |
| 342 | F | 98.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 23.6 Ų | 23.6 | 9% | 0.092 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 147.7 | 173 | -65.3 | -83.9 | 0 | 0 | 0 | 110.4 | F48 A299 H301 P302 A308 I348 F349 M381 | F48-F342 WeakPolarHBondContact CD2-O 3.24Å; A299-F342 HydrophobicContact CB-CD2 3.96Å; A299-F342 HydrophobicContact CB-CE2 3.82Å; H301-F342 HydrophobicContact CB-CZ 4.49Å; P302-F342 HydrophobicContact CG-CB 4.16Å; A308-F342 HydrophobicContact CB-CE2 3.95Å; A308-F342 HydrophobicContact CB-CZ 3.69Å; F342-I348 WeakPolarHBondContact CA-O 3.42Å; F342-F349 HydrophobicContact CD1-CB 4.02Å; F342-F349 AromaticContact CD1-CD2 3.98Å; F342-F349 HydrophobicContact CD1-CD2 3.98Å; F342-F349 HydrophobicContact CD2-CD2 4.49Å; F342-F349 HydrophobicContact CE1-CB 3.76Å; F342-F349 AromaticContact CE1-CD2 3.47Å; F342-F349 HydrophobicContact CE1-CD2 3.47Å; F342-F349 VanDerWaalsContact CE1-CD2 3.47Å; F342-F349 HydrophobicContact CE1-CE2 4.41Å; F342-F349 HydrophobicContact CE1-CG 4Å; F342-F349 HydrophobicContact CE2-CD2 4.04Å; F342-F349 HydrophobicContact CE2-CE2 4.33Å; F342-F349 HydrophobicContact CG-CD2 4.46Å; F342-F349 AromaticContact CZ-CD2 3.5Å; F342-F349 HydrophobicContact CZ-CD2 3.5Å; F342-F349 VanDerWaalsContact CZ-CD2 3.5Å; F342-F349 HydrophobicContact CZ-CE2 4Å; F342-F349 HydrophobicContact CZ-CG 4.37Å; F342-M381 HydrophobicContact CE1-CE 4.13Å; F342-M381 HydrophobicContact CE2-CE 4.36Å; F342-M381 HydrophobicContact CZ-CE 3.54Å |
| 343 | N | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | trans | -69.4 | 169.6 | 165.2 | 77 | -27.2 | 0 | 0 | 0 | 110.4 | F48 N56 P302 G345 G346 D347 I348 | F48-N343 HydrophobicContact CB-CB 4.5Å; F48-N343 HydrophobicContact CD1-CB 3.93Å; F48-N343 HydrophobicContact CD2-CB 3.93Å; F48-N343 HydrophobicContact CE1-CB 4.04Å; F48-N343 HydrophobicContact CE2-CB 4.01Å; F48-N343 HydrophobicContact CG-CB 3.87Å; F48-N343 HydrophobicContact CZ-CB 4.07Å; N56-N343 PolarHBondContact ND2-ND2 3.19Å; P302-N343 WeakPolarHBondContact CG-O 3.41Å; N343-G345 PolarHBondContact O-N 3.31Å; N343-G345 VanDerWaalsContact O-N 3.13Å; N343-G346 PolarHBondContact O-N 2.93Å; N343-G346 WeakPolarHBondContact OD1-CA 3.47Å; N343-G346 PolarHBondContact OD1-N 2.68Å; N343-D347 PolarHBondContact ND2-OD1 3.05Å; N343-D347 PolarHBondContact OD1-N 3.41Å; N343-D347 PolarHBondContact OD1-OD1 3.39Å; N343-D347 VanDerWaalsContact OD1-OD1 3.12Å; N343-I348 HydrophobicContact CB-CB 4.18Å; N343-I348 PolarHBondContact N-O 2.72Å; N343-I348 PolarHBondContact OD1-N 2.93Å; N343-I348 PolarHBondContact OD1-O 3.36Å | ||
| 344 | K | 97.6 | Very high | 97.6 | Very high | 60 Ų | 60 | 18.6 Ų | 18.6 | 26% | 0.261 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -30.1 | -178.7 | 59.6 | 180 | 179.2 | -87.8 | 0 | 114.1 | P51 V53 A54 Q55 N56 Q303 | P51-K344 HydrophobicContact CB-CB 4.48Å; P51-K344 HydrophobicContact CB-CD 4.37Å; P51-K344 HydrophobicContact CG-CB 4.07Å; V53-K344 WeakPolarHBondContact O-CE 3.33Å; V53-K344 PolarHBondContact O-NZ 2.89Å; A54-K344 PolarHBondContact O-NZ 3.17Å; Q55-K344 PolarHBondContact O-NZ 3.06Å; N56-K344 PolarHBondContact OD1-NZ 2.06Å; Q303-K344 PolarHBondContact NE2-O 3.31Å |
| 345 | G | 96.7 | Very high | 97.7 | Very high | 26 Ų | 26 | 14 Ų | 14 | 27% | 0.268 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q303 N343 D347 | Q303-G345 PolarHBondContact NE2-O 3.4Å; Q303-G345 VanDerWaalsContact NE2-O 3.13Å; Q303-G345 VanDerWaalsContact OE1-C 3.24Å; Q303-G345 PolarHBondContact OE1-O 2.8Å; N343-G345 PolarHBondContact O-N 3.31Å; N343-G345 VanDerWaalsContact O-N 3.13Å; G345-D347 WeakPolarHBondContact CA-OD1 3.19Å; G345-D347 PolarHBondContact O-N 3.29Å |
| 346 | G | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 68.4 | 3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H301 Q303 N343 C377 | H301-G346 PolarHBondContact NE2-O 3.06Å; Q303-G346 VanDerWaalsContact OE1-CA 3.24Å; N343-G346 PolarHBondContact O-N 2.93Å; N343-G346 WeakPolarHBondContact OD1-CA 3.47Å; N343-G346 PolarHBondContact OD1-N 2.68Å; G346-C377 PolarHBondContact O-SG 2.74Å |
| 347 | D | 97.9 | Very high | 97.4 | Very high | 72 Ų | 72 | 15.4 Ų | 15.4 | 39% | 0.385 | 8% | 0.079 | S | C | . | . | S | Bend | trans | -77.1 | -24.5 | 177.4 | 56.5 | -54.3 | 0 | 0 | 0 | 112.6 | N343 G345 A376 C377 F378 | N343-D347 PolarHBondContact ND2-OD1 3.05Å; N343-D347 PolarHBondContact OD1-N 3.41Å; N343-D347 PolarHBondContact OD1-OD1 3.39Å; N343-D347 VanDerWaalsContact OD1-OD1 3.12Å; G345-D347 WeakPolarHBondContact CA-OD1 3.19Å; G345-D347 PolarHBondContact O-N 3.29Å; D347-A376 WeakPolarHBondContact O-CA 3.48Å; D347-C377 PolarHBondContact O-N 3.01Å; D347-C377 VanDerWaalsContact O-N 3.07Å; D347-F378 HydrophobicContact CB-CB 4.35Å; D347-F378 HydrophobicContact CB-CD2 4.49Å |
| 348 | I | 98.5 | Very high | 96.6 | Very high | 19 Ų | 19 | 16.9 Ų | 16.9 | 10% | 0.097 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.6 | 180 | -51.1 | 175.3 | 0 | 0 | 0 | 110.2 | F48 V72 F342 N343 L374 | F48-I348 HydrophobicContact CE2-CG2 4.37Å; F48-I348 HydrophobicContact CZ-CB 4.38Å; F48-I348 HydrophobicContact CZ-CG2 3.87Å; V72-I348 HydrophobicContact CG1-CD1 3.86Å; F342-I348 WeakPolarHBondContact CA-O 3.42Å; N343-I348 HydrophobicContact CB-CB 4.18Å; N343-I348 PolarHBondContact N-O 2.72Å; N343-I348 PolarHBondContact OD1-N 2.93Å; N343-I348 PolarHBondContact OD1-O 3.36Å; I348-L374 HydrophobicContact CG2-CB 3.97Å; I348-L374 HydrophobicContact CG2-CD2 4.15Å |
| 349 | F | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 114 | 167.7 | 175.4 | -112 | 0 | 0 | 0 | 109.7 | A308 V310 Y316 F318 C340 F342 Y351 L374 H375 C377 | A308-F349 HydrophobicContact CB-CD2 4.31Å; A308-F349 HydrophobicContact CB-CE2 3.56Å; A308-F349 HydrophobicContact CB-CZ 4Å; V310-F349 HydrophobicContact CG1-CZ 3.86Å; Y316-F349 HydrophobicContact CD1-CE1 4.03Å; Y316-F349 HydrophobicContact CD2-CE1 4.05Å; Y316-F349 AromaticContact CG-CE1 3.76Å; Y316-F349 HydrophobicContact CG-CE1 3.76Å; Y316-F349 HydrophobicContact CG-CZ 4.45Å; F318-F349 HydrophobicContact CE1-CD1 4.03Å; F318-F349 HydrophobicContact CE1-CD2 4.38Å; F318-F349 HydrophobicContact CE1-CE1 4.04Å; F318-F349 HydrophobicContact CE1-CE2 4.35Å; F318-F349 HydrophobicContact CE1-CG 4.2Å; F318-F349 HydrophobicContact CE1-CZ 4.19Å; F318-F349 HydrophobicContact CZ-CB 4.47Å; F318-F349 AromaticContact CZ-CD1 3.93Å; F318-F349 HydrophobicContact CZ-CD1 3.93Å; F318-F349 HydrophobicContact CZ-CE1 4.32Å; F318-F349 HydrophobicContact CZ-CG 4.15Å; C340-F349 HydrophobicContact CB-CD2 4.48Å; C340-F349 HydrophobicContact CB-CE2 3.43Å; C340-F349 VanDerWaalsContact CB-CE2 3.43Å; C340-F349 HydrophobicContact CB-CZ 3.47Å; C340-F349 VanDerWaalsContact CB-CZ 3.47Å; F342-F349 HydrophobicContact CD1-CB 4.02Å; F342-F349 AromaticContact CD1-CD2 3.98Å; F342-F349 HydrophobicContact CD1-CD2 3.98Å; F342-F349 HydrophobicContact CD2-CD2 4.49Å; F342-F349 HydrophobicContact CE1-CB 3.76Å; F342-F349 AromaticContact CE1-CD2 3.47Å; F342-F349 HydrophobicContact CE1-CD2 3.47Å; F342-F349 VanDerWaalsContact CE1-CD2 3.47Å; F342-F349 HydrophobicContact CE1-CE2 4.41Å; F342-F349 HydrophobicContact CE1-CG 4Å; F342-F349 HydrophobicContact CE2-CD2 4.04Å; F342-F349 HydrophobicContact CE2-CE2 4.33Å; F342-F349 HydrophobicContact CG-CD2 4.46Å; F342-F349 AromaticContact CZ-CD2 3.5Å; F342-F349 HydrophobicContact CZ-CD2 3.5Å; F342-F349 VanDerWaalsContact CZ-CD2 3.5Å; F342-F349 HydrophobicContact CZ-CE2 4Å; F342-F349 HydrophobicContact CZ-CG 4.37Å; F349-Y351 AromaticContact CD1-CD1 3.77Å; F349-Y351 HydrophobicContact CD1-CD1 3.77Å; F349-Y351 HydrophobicContact CD1-CE1 4.49Å; F349-Y351 AromaticContact CE1-CD1 3.65Å; F349-Y351 HydrophobicContact CE1-CD1 3.65Å; F349-Y351 HydrophobicContact CE1-CG 4.03Å; F349-L374 WeakPolarHBondContact O-CA 3.38Å; F349-H375 HydrophobicContact CB-CB 4.33Å; F349-H375 HydrophobicContact CD1-CB 4.24Å; F349-H375 PolarHBondContact N-O 3.46Å; F349-H375 PolarHBondContact O-N 3.38Å; F349-C377 HydrophobicContact CB-CB 4.09Å; F349-C377 VanDerWaalsContact CB-SG 3.59Å |
| 350 | A | 98.9 | Very high | 95 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 138.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L46 F48 L58 C340 C341 F373 L374 | L46-A350 HydrophobicContact CD2-CB 4Å; F48-A350 HydrophobicContact CD2-CB 4.43Å; F48-A350 HydrophobicContact CE2-CB 3.51Å; F48-A350 HydrophobicContact CZ-CB 3.96Å; L58-A350 HydrophobicContact CD1-CB 4.12Å; L58-A350 HydrophobicContact CD2-CB 4.01Å; C340-A350 CarbonylContact C-O 3.58Å; C340-A350 WeakPolarHBondContact CA-O 3.45Å; C340-A350 WeakPolarHBondContact CB-O 3.43Å; C341-A350 PolarHBondContact N-O 3.49Å; C341-A350 PolarHBondContact O-N 3.19Å; A350-F373 VanDerWaalsContact CA-O 3.31Å; A350-F373 WeakPolarHBondContact CA-O 3.2Å; A350-L374 HydrophobicContact CB-CD2 3.6Å |
| 351 | Y | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 145 | 173.7 | 66.1 | -84.5 | 0 | 0 | 0 | 112 | N30 D32 Y316 I337 R339 F349 V353 I372 F373 H375 | N30-Y351 PolarHBondContact ND2-OH 3.22Å; D32-Y351 VanDerWaalsContact OD2-CE1 3.23Å; D32-Y351 WeakPolarHBondContact OD2-CE1 3.2Å; D32-Y351 VanDerWaalsContact OD2-CZ 3.3Å; D32-Y351 PolarHBondContact OD2-OH 2.67Å; Y316-Y351 HydrophobicContact CD1-CD1 4.22Å; Y316-Y351 HydrophobicContact CD1-CD2 4.45Å; Y316-Y351 HydrophobicContact CD1-CE1 4.03Å; Y316-Y351 HydrophobicContact CD1-CE2 4.26Å; Y316-Y351 HydrophobicContact CD1-CG 4.41Å; Y316-Y351 HydrophobicContact CE1-CD1 4.28Å; Y316-Y351 AromaticContact CE1-CE1 3.69Å; Y316-Y351 HydrophobicContact CE1-CE1 3.69Å; Y316-Y351 HydrophobicContact CE1-CE2 4.38Å; Y316-Y351 AromaticContact CE1-CZ 3.74Å; I337-Y351 HydrophobicContact CD1-CD2 3.76Å; I337-Y351 HydrophobicContact CD1-CE2 4.01Å; I337-Y351 HydrophobicContact CG1-CD2 4.28Å; I337-Y351 HydrophobicContact CG2-CD2 3.9Å; I337-Y351 HydrophobicContact CG2-CG 4.31Å; R339-Y351 CarbonylContact O-C 3.57Å; R339-Y351 VanDerWaalsContact O-CA 3.26Å; R339-Y351 WeakPolarHBondContact O-CA 3.4Å; F349-Y351 AromaticContact CD1-CD1 3.77Å; F349-Y351 HydrophobicContact CD1-CD1 3.77Å; F349-Y351 HydrophobicContact CD1-CE1 4.49Å; F349-Y351 AromaticContact CE1-CD1 3.65Å; F349-Y351 HydrophobicContact CE1-CD1 3.65Å; F349-Y351 HydrophobicContact CE1-CG 4.03Å; Y351-V353 HydrophobicContact CD2-CG2 4.01Å; Y351-V353 HydrophobicContact CE2-CG2 3.9Å; Y351-I372 WeakPolarHBondContact O-CA 3.34Å; Y351-F373 HydrophobicContact CD1-CB 4.14Å; Y351-F373 HydrophobicContact CD2-CB 4.37Å; Y351-F373 HydrophobicContact CD2-CD2 4.36Å; Y351-F373 HydrophobicContact CE1-CB 3.57Å; Y351-F373 HydrophobicContact CE2-CB 3.86Å; Y351-F373 AromaticContact CE2-CD2 3.61Å; Y351-F373 HydrophobicContact CE2-CD2 3.61Å; Y351-F373 HydrophobicContact CE2-CG 4.18Å; Y351-F373 VanDerWaalsContact CZ-CB 3.43Å; Y351-F373 AromaticContact CZ-CD2 3.86Å; Y351-F373 PolarHBondContact N-O 2.96Å; Y351-F373 PolarHBondContact O-N 3.31Å; Y351-H375 HydrophobicContact CE1-CB 4.29Å |
| 352 | S | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 136.8 | -179.9 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | I337 T338 R339 Y371 | I337-S352 CarbonylContact C-O 3.45Å; I337-S352 WeakPolarHBondContact CA-O 2.99Å; I337-S352 VanDerWaalsContact CG2-O 3.3Å; I337-S352 WeakPolarHBondContact CG2-O 3.39Å; T338-S352 PolarHBondContact N-O 2.89Å; T338-S352 PolarHBondContact OG1-OG 2.73Å; R339-S352 WeakPolarHBondContact CB-OG 3.11Å; R339-S352 PolarHBondContact N-OG 3.13Å; R339-S352 PolarHBondContact O-N 3.22Å; R339-S352 PolarHBondContact O-OG 3.13Å; S352-Y371 CarbonylContact C-O 3.52Å; S352-Y371 WeakPolarHBondContact CA-O 3.33Å |
| 353 | V | 98.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 107.7 | 177.9 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | C333 Q335 P336 I337 Y351 N370 Y371 F373 | C333-V353 HydrophobicContact CB-CG1 4.02Å; C333-V353 HydrophobicContact CB-CG2 4.06Å; Q335-V353 HydrophobicContact CB-CG1 3.74Å; P336-V353 WeakPolarHBondContact O-CA 3.31Å; I337-V353 HydrophobicContact CG1-CG2 4.25Å; Y351-V353 HydrophobicContact CD2-CG2 4.01Å; Y351-V353 HydrophobicContact CE2-CG2 3.9Å; V353-N370 WeakPolarHBondContact O-CA 3.48Å; V353-Y371 PolarHBondContact N-O 2.7Å; V353-Y371 PolarHBondContact O-N 2.92Å; V353-F373 HydrophobicContact CB-CE2 4.32Å; V353-F373 HydrophobicContact CG2-CD2 3.82Å; V353-F373 HydrophobicContact CG2-CE2 3.82Å |
| 354 | S | 97.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -159.9 | 177.5 | -179 | 69.3 | 0 | 0 | 0 | 0 | 111.2 | I43 P336 T338 N370 | I43-S354 PolarHBondContact N-OG 2.74Å; I43-S354 VanDerWaalsContact N-OG 3.07Å; P336-S354 PolarHBondContact O-N 3.43Å; P336-S354 VanDerWaalsContact O-N 3.12Å; P336-S354 VanDerWaalsContact O-O 3.14Å; T338-S354 VanDerWaalsContact CG2-O 3.3Å; T338-S354 WeakPolarHBondContact CG2-O 3.45Å; T338-S354 WeakPolarHBondContact CG2-OG 3.27Å; T338-S354 PolarHBondContact OG1-OG 3.26Å; S354-N370 WeakPolarHBondContact CB-OD1 3.48Å |
| 355 | Y | 94.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 40.6 Ų | 40.6 | 7% | 0.067 | 20% | 0.204 | C | C | . | . | trans | -64.3 | 140.4 | 169.8 | -168.2 | -120.6 | 0 | 0 | 0 | 111.2 | S42 W357 K359 G360 F363 Y364 | S42-Y355 WeakPolarHBondContact CB-O 3.47Å; S42-Y355 PolarHBondContact OG-O 2.81Å; Y355-W357 AromaticContact CD1-CD2 3.87Å; Y355-W357 HydrophobicContact CD1-CD2 3.87Å; Y355-W357 HydrophobicContact CD1-CE3 4.25Å; Y355-W357 HydrophobicContact CD1-CG 4.06Å; Y355-W357 HydrophobicContact CE1-CB 4.37Å; Y355-W357 AromaticContact CE1-CD2 3.93Å; Y355-W357 HydrophobicContact CE1-CD2 3.93Å; Y355-W357 AromaticContact CE1-CE3 3.94Å; Y355-W357 HydrophobicContact CE1-CE3 3.94Å; Y355-W357 HydrophobicContact CE1-CG 4.15Å; Y355-K359 WeakPolarHBondContact OH-CB 3.04Å; Y355-G360 WeakPolarHBondContact CE1-O 3.49Å; Y355-G360 PolarHBondContact OH-N 3.43Å; Y355-G360 PolarHBondContact OH-O 3.34Å; Y355-F363 HydrophobicContact CE2-CB 4.38Å; Y355-F363 WeakPolarHBondContact OH-CB 3.45Å; Y355-Y364 AromaticContact CD1-CD2 3.46Å; Y355-Y364 HydrophobicContact CD1-CD2 3.46Å; Y355-Y364 VanDerWaalsContact CD1-CD2 3.46Å; Y355-Y364 HydrophobicContact CD1-CE2 4.44Å; Y355-Y364 AromaticContact CD1-CG 3.97Å; Y355-Y364 HydrophobicContact CD1-CG 3.97Å; Y355-Y364 HydrophobicContact CE1-CD2 4.31Å; Y355-Y364 HydrophobicContact CE1-CG 4.42Å; Y355-Y364 AromaticContact CG-CD2 3.68Å; Y355-Y364 HydrophobicContact CG-CD2 3.68Å; Y355-Y364 HydrophobicContact CG-CE2 4.49Å | ||
| 356 | D | 91.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | trans | -113.4 | 7.1 | -172.2 | 75.5 | -3.1 | 0 | 0 | 0 | 113.7 | R218 N296 S312 P336 T338 S358 | R218-D356 PolarHBondContact NH2-O 2.65Å; R218-D356 IonicContact NH2-OD2 2.87Å; N296-D356 PolarHBondContact ND2-OD2 2.79Å; N296-D356 PolarHBondContact OD1-OD2 3.44Å; S312-D356 WeakPolarHBondContact CB-OD2 3.46Å; P336-D356 HydrophobicContact CB-CB 3.88Å; P336-D356 HydrophobicContact CG-CB 4.33Å; T338-D356 HydrophobicContact CG2-CB 3.74Å; D356-S358 PolarHBondContact O-N 3.29Å; D356-S358 WeakPolarHBondContact OD1-CB 3.4Å; D356-S358 PolarHBondContact OD1-N 2.89Å; D356-S358 PolarHBondContact OD1-OG 2.86Å | ||
| 357 | W | 89.5 | Confident | 91.2 | Very high | 63 Ų | 63 | 51.9 Ų | 51.9 | 24% | 0.239 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 58.7 | 11 | 177.8 | -57.2 | 87.6 | 0 | 0 | 0 | 115 | S42 W63 Y355 K359 G360 H361 Y364 | S42-W357 VanDerWaalsContact CB-NE1 3.28Å; S42-W357 PolarHBondContact OG-NE1 3Å; W63-W357 AromaticContact CD1-NE1 3.81Å; W63-W357 AromaticContact CD2-CE2 3.93Å; W63-W357 HydrophobicContact CD2-CZ2 4.12Å; W63-W357 AromaticContact CD2-NE1 3.74Å; W63-W357 AromaticContact CE2-CD1 3.82Å; W63-W357 AromaticContact CE2-NE1 3.56Å; W63-W357 HydrophobicContact CE3-CZ2 4.05Å; W63-W357 HydrophobicContact CG-CZ2 4.43Å; W63-W357 AromaticContact CG-NE1 3.89Å; W63-W357 HydrophobicContact CZ2-CD2 4.45Å; W63-W357 HydrophobicContact CZ2-CG 4.24Å; W63-W357 AromaticContact NE1-CD1 3.79Å; W63-W357 AromaticContact NE1-NE1 3.56Å; Y355-W357 AromaticContact CD1-CD2 3.87Å; Y355-W357 HydrophobicContact CD1-CD2 3.87Å; Y355-W357 HydrophobicContact CD1-CE3 4.25Å; Y355-W357 HydrophobicContact CD1-CG 4.06Å; Y355-W357 HydrophobicContact CE1-CB 4.37Å; Y355-W357 AromaticContact CE1-CD2 3.93Å; Y355-W357 HydrophobicContact CE1-CD2 3.93Å; Y355-W357 AromaticContact CE1-CE3 3.94Å; Y355-W357 HydrophobicContact CE1-CE3 3.94Å; Y355-W357 HydrophobicContact CE1-CG 4.15Å; W357-K359 VanDerWaalsContact C-N 3.25Å; W357-K359 PolarHBondContact O-N 2.77Å; W357-G360 PolarHBondContact O-N 2.99Å; W357-H361 HydrophobicContact CE3-CB 4.46Å; W357-H361 HydrophobicContact CZ3-CB 3.84Å; W357-Y364 HydrophobicContact CH2-CD1 4.13Å; W357-Y364 HydrophobicContact CH2-CG 4.18Å; W357-Y364 HydrophobicContact CZ2-CG 4.46Å |
| 358 | S | 81.2 | Confident | 90.9 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 21% | 0.21 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -28.5 | 179.6 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | Q294 D356 | Q294-S358 PolarHBondContact OE1-OG 3.22Å; D356-S358 PolarHBondContact O-N 3.29Å; D356-S358 WeakPolarHBondContact OD1-CB 3.4Å; D356-S358 PolarHBondContact OD1-N 2.89Å; D356-S358 PolarHBondContact OD1-OG 2.86Å |
| 359 | K | 80.8 | Confident | 90.7 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 2.9 | 179.9 | -59.2 | -179.6 | 178.8 | -178.4 | 0 | 113.7 | F290 Y355 W357 F363 | F290-K359 HydrophobicContact CD1-CB 4.28Å; F290-K359 HydrophobicContact CD1-CG 4.34Å; Y355-K359 WeakPolarHBondContact OH-CB 3.04Å; W357-K359 VanDerWaalsContact C-N 3.25Å; W357-K359 PolarHBondContact O-N 2.77Å; K359-F363 HydrophobicContact CB-CB 3.87Å; K359-F363 HydrophobicContact CB-CD2 3.72Å; K359-F363 HydrophobicContact CB-CE2 4.39Å; K359-F363 HydrophobicContact CB-CG 3.82Å; K359-F363 HydrophobicContact CD-CD1 4.43Å; K359-F363 HydrophobicContact CD-CG 4.39Å; K359-F363 WeakPolarHBondContact O-CD2 3.31Å |
| 360 | G | 81.8 | Confident | 90.6 | Very high | 25 Ų | 25 | 55.8 Ų | 55.8 | 26% | 0.258 | 27% | 0.272 | S | S | . | . | trans | 88.3 | 176.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y355 W357 E362 | Y355-G360 WeakPolarHBondContact CE1-O 3.49Å; Y355-G360 PolarHBondContact OH-N 3.43Å; Y355-G360 PolarHBondContact OH-O 3.34Å; W357-G360 PolarHBondContact O-N 2.99Å; G360-E362 VanDerWaalsContact C-N 3.25Å; G360-E362 PolarHBondContact O-N 3.33Å | ||
| 361 | H | 82.9 | Confident | 90.6 | Very high | 131 Ų | 131 | 57.3 Ų | 57.3 | 61% | 0.606 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -70.2 | -24.4 | -177.1 | 75.4 | -68.8 | 0 | 0 | 0 | 113.1 | W357 F363 Y364 | W357-H361 HydrophobicContact CE3-CB 4.46Å; W357-H361 HydrophobicContact CZ3-CB 3.84Å; H361-F363 PolarHBondContact O-N 2.76Å; H361-Y364 WeakPolarHBondContact O-CB 3.32Å; H361-Y364 PolarHBondContact O-N 2.86Å; H361-Y364 VanDerWaalsContact O-N 3.12Å |
| 362 | E | 83.1 | Confident | 90.6 | Very high | 132 Ų | 132 | 57.3 Ų | 57.3 | 62% | 0.617 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -64.6 | -23.4 | -175.7 | -59.2 | 86.5 | 166 | 0 | 0 | 112.9 | G360 | G360-E362 VanDerWaalsContact C-N 3.25Å; G360-E362 PolarHBondContact O-N 3.33Å |
| 363 | F | 84.6 | Confident | 90.6 | Very high | 125 Ų | 125 | 57.3 Ų | 57.3 | 55% | 0.548 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -104.1 | 3.7 | -179.8 | -64.8 | -95.5 | 0 | 0 | 0 | 113 | Y355 K359 H361 N365 | Y355-F363 HydrophobicContact CE2-CB 4.38Å; Y355-F363 WeakPolarHBondContact OH-CB 3.45Å; K359-F363 HydrophobicContact CB-CB 3.87Å; K359-F363 HydrophobicContact CB-CD2 3.72Å; K359-F363 HydrophobicContact CB-CE2 4.39Å; K359-F363 HydrophobicContact CB-CG 3.82Å; K359-F363 HydrophobicContact CD-CD1 4.43Å; K359-F363 HydrophobicContact CD-CG 4.39Å; K359-F363 WeakPolarHBondContact O-CD2 3.31Å; H361-F363 PolarHBondContact O-N 2.76Å; F363-N365 PolarHBondContact O-N 3.41Å |
| 364 | Y | 87.3 | Confident | 90.6 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 21% | 0.208 | 28% | 0.278 | C | S | . | . | trans | -71.4 | 120.1 | 174.5 | 178.6 | -127.5 | 0 | 0 | 0 | 109.9 | D41 Y355 W357 H361 T366 | D41-Y364 PolarHBondContact OD1-OH 3.45Å; Y355-Y364 AromaticContact CD1-CD2 3.46Å; Y355-Y364 HydrophobicContact CD1-CD2 3.46Å; Y355-Y364 VanDerWaalsContact CD1-CD2 3.46Å; Y355-Y364 HydrophobicContact CD1-CE2 4.44Å; Y355-Y364 AromaticContact CD1-CG 3.97Å; Y355-Y364 HydrophobicContact CD1-CG 3.97Å; Y355-Y364 HydrophobicContact CE1-CD2 4.31Å; Y355-Y364 HydrophobicContact CE1-CG 4.42Å; Y355-Y364 AromaticContact CG-CD2 3.68Å; Y355-Y364 HydrophobicContact CG-CD2 3.68Å; Y355-Y364 HydrophobicContact CG-CE2 4.49Å; W357-Y364 HydrophobicContact CH2-CD1 4.13Å; W357-Y364 HydrophobicContact CH2-CG 4.18Å; W357-Y364 HydrophobicContact CZ2-CG 4.46Å; H361-Y364 WeakPolarHBondContact O-CB 3.32Å; H361-Y364 PolarHBondContact O-N 2.86Å; H361-Y364 VanDerWaalsContact O-N 3.12Å; Y364-T366 HydrophobicContact CD1-CG2 4.06Å; Y364-T366 HydrophobicContact CE1-CG2 3.65Å | ||
| 365 | N | 89.5 | Confident | 90.7 | Very high | 73 Ų | 73 | 58 Ų | 58 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | trans | -104.8 | 106 | 179.2 | -175.6 | -10.5 | 0 | 0 | 0 | 110.3 | F363 Q367 L368 | F363-N365 PolarHBondContact O-N 3.41Å; N365-Q367 PolarHBondContact O-N 2.69Å; N365-Q367 VanDerWaalsContact O-N 3.15Å; N365-Q367 VanDerWaalsContact OD1-CB 3.3Å; N365-Q367 WeakPolarHBondContact OD1-CB 3.46Å; N365-Q367 PolarHBondContact OD1-N 3.28Å; N365-L368 HydrophobicContact CB-CD1 4.04Å; N365-L368 HydrophobicContact CB-CG 4.07Å; N365-L368 PolarHBondContact O-N 3.13Å; N365-L368 VanDerWaalsContact O-N 3.14Å | ||
| 366 | T | 89.4 | Confident | 90.9 | Very high | 100 Ų | 100 | 60.6 Ų | 60.6 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -12.4 | -179.8 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | Y364 | Y364-T366 HydrophobicContact CD1-CG2 4.06Å; Y364-T366 HydrophobicContact CE1-CG2 3.65Å |
| 367 | Q | 90.6 | Very high | 91.2 | Very high | 162 Ų | 162 | 60.3 Ų | 60.3 | 76% | 0.757 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -14.9 | 176.4 | -54.7 | -56.9 | -48.3 | 0 | 0 | 112.8 | N365 | N365-Q367 PolarHBondContact O-N 2.69Å; N365-Q367 VanDerWaalsContact O-N 3.15Å; N365-Q367 VanDerWaalsContact OD1-CB 3.3Å; N365-Q367 WeakPolarHBondContact OD1-CB 3.46Å; N365-Q367 PolarHBondContact OD1-N 3.28Å |
| 368 | L | 91.5 | Very high | 91.6 | Very high | 67 Ų | 67 | 60.7 Ų | 60.7 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -85.2 | 119.5 | 178.1 | -64.7 | 180 | 0 | 0 | 0 | 110.1 | Q335 N365 | Q335-L368 HydrophobicContact CG-CD1 4.03Å; N365-L368 HydrophobicContact CB-CD1 4.04Å; N365-L368 HydrophobicContact CB-CG 4.07Å; N365-L368 PolarHBondContact O-N 3.13Å; N365-L368 VanDerWaalsContact O-N 3.14Å |
| 369 | K | 94.9 | Very high | 92.3 | Very high | 103 Ų | 103 | 65.1 Ų | 65.1 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 142.6 | 175.9 | -178.6 | 177.6 | 174.1 | -152.6 | 0 | 110.9 | E34 Q335 Y371 | E34-K369 IonicContact OE1-NZ 3.17Å; E34-K369 PolarHBondContact OE1-NZ 3.03Å; Q335-K369 PolarHBondContact NE2-O 3.35Å; K369-Y371 HydrophobicContact CB-CE2 4.04Å; K369-Y371 HydrophobicContact CD-CE1 3.75Å; K369-Y371 HydrophobicContact CG-CE1 4.09Å; K369-Y371 HydrophobicContact CG-CE2 4.19Å; K369-Y371 WeakPolarHBondContact O-CD2 3.42Å; K369-Y371 WeakPolarHBondContact O-CE2 3.39Å |
| 370 | N | 97.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 152.5 | 172.5 | -44.1 | -62.4 | 0 | 0 | 0 | 111.2 | P38 P39 D40 D41 I43 V353 S354 | P38-N370 WeakPolarHBondContact CG-O 3.39Å; P39-N370 WeakPolarHBondContact O-CB 2.97Å; P39-N370 PolarHBondContact O-ND2 2.93Å; D40-N370 PolarHBondContact O-ND2 3.46Å; D40-N370 VanDerWaalsContact O-ND2 3.14Å; D41-N370 VanDerWaalsContact CA-ND2 3.34Å; D41-N370 WeakPolarHBondContact CA-ND2 3.46Å; D41-N370 PolarHBondContact N-ND2 2.9Å; D41-N370 PolarHBondContact O-ND2 3.37Å; I43-N370 HydrophobicContact CD1-CB 3.57Å; V353-N370 WeakPolarHBondContact O-CA 3.48Å; S354-N370 WeakPolarHBondContact CB-OD1 3.48Å |
| 371 | Y | 98.5 | Very high | 93.9 | Very high | 32 Ų | 32 | 63.6 Ų | 63.6 | 13% | 0.125 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 154.1 | -179.3 | -56.9 | -86.9 | 0 | 0 | 0 | 111.1 | H27 E34 S352 V353 K369 F373 | H27-Y371 HydrophobicContact CB-CE2 4.11Å; H27-Y371 AromaticContact CD2-CD1 3.77Å; H27-Y371 AromaticContact CD2-CE1 3.29Å; H27-Y371 WeakPolarHBondContact CD2-CE1 3.33Å; H27-Y371 AromaticContact CD2-CZ 3.5Å; H27-Y371 VanDerWaalsContact CD2-CZ 3.5Å; H27-Y371 AromaticContact CG-CZ 3.91Å; H27-Y371 AromaticContact NE2-CE1 3.82Å; E34-Y371 HydrophobicContact CG-CD1 4.29Å; E34-Y371 VanDerWaalsContact OE1-CD1 3.28Å; E34-Y371 WeakPolarHBondContact OE1-CD1 3.23Å; E34-Y371 WeakPolarHBondContact OE1-CE1 3.34Å; S352-Y371 CarbonylContact C-O 3.52Å; S352-Y371 WeakPolarHBondContact CA-O 3.33Å; V353-Y371 PolarHBondContact N-O 2.7Å; V353-Y371 PolarHBondContact O-N 2.92Å; K369-Y371 HydrophobicContact CB-CE2 4.04Å; K369-Y371 HydrophobicContact CD-CE1 3.75Å; K369-Y371 HydrophobicContact CG-CE1 4.09Å; K369-Y371 HydrophobicContact CG-CE2 4.19Å; K369-Y371 WeakPolarHBondContact O-CD2 3.42Å; K369-Y371 WeakPolarHBondContact O-CE2 3.39Å; Y371-F373 HydrophobicContact CD1-CZ 4.11Å; Y371-F373 HydrophobicContact CG-CE2 4.15Å; Y371-F373 AromaticContact CG-CZ 3.84Å; Y371-F373 HydrophobicContact CG-CZ 3.84Å |
| 372 | I | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.7 | 161.7 | -57.4 | 168.9 | 0 | 0 | 0 | 105.9 | V35 I43 L46 L58 W70 Y351 | V35-I372 HydrophobicContact CB-CB 3.93Å; V35-I372 HydrophobicContact CB-CG2 4.29Å; V35-I372 HydrophobicContact CG2-CB 3.79Å; V35-I372 HydrophobicContact CG2-CG2 3.59Å; V35-I372 WeakPolarHBondContact CG2-O 3.31Å; V35-I372 PolarHBondContact N-O 2.87Å; I43-I372 HydrophobicContact CG1-CD1 4.46Å; I43-I372 HydrophobicContact CG1-CG1 4.42Å; L46-I372 HydrophobicContact CD1-CD1 4Å; L46-I372 HydrophobicContact CD1-CG2 4.14Å; L46-I372 HydrophobicContact CD2-CG2 4.24Å; L58-I372 HydrophobicContact CD2-CG2 4.01Å; W70-I372 HydrophobicContact CH2-CD1 3.94Å; W70-I372 HydrophobicContact CZ3-CD1 4.04Å; Y351-I372 WeakPolarHBondContact O-CA 3.34Å |
| 373 | F | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 152.6 | -179.6 | -65.6 | -63.9 | 0 | 0 | 0 | 111 | H27 N28 D32 F33 E34 A350 Y351 V353 Y371 | H27-F373 AromaticContact CD2-CZ 3.98Å; N28-F373 HydrophobicContact CB-CE1 3.75Å; N28-F373 HydrophobicContact CB-CZ 3.83Å; D32-F373 HydrophobicContact CB-CB 4Å; D32-F373 HydrophobicContact CB-CD1 4.48Å; D32-F373 HydrophobicContact CB-CG 4.48Å; F33-F373 CarbonylContact O-C 3.57Å; F33-F373 VanDerWaalsContact O-CA 3.24Å; F33-F373 WeakPolarHBondContact O-CA 3.38Å; E34-F373 HydrophobicContact CB-CD1 4.14Å; E34-F373 HydrophobicContact CB-CE1 4Å; E34-F373 HydrophobicContact CG-CD1 4.38Å; E34-F373 HydrophobicContact CG-CE1 3.97Å; A350-F373 VanDerWaalsContact CA-O 3.31Å; A350-F373 WeakPolarHBondContact CA-O 3.2Å; Y351-F373 HydrophobicContact CD1-CB 4.14Å; Y351-F373 HydrophobicContact CD2-CB 4.37Å; Y351-F373 HydrophobicContact CD2-CD2 4.36Å; Y351-F373 HydrophobicContact CE1-CB 3.57Å; Y351-F373 HydrophobicContact CE2-CB 3.86Å; Y351-F373 AromaticContact CE2-CD2 3.61Å; Y351-F373 HydrophobicContact CE2-CD2 3.61Å; Y351-F373 HydrophobicContact CE2-CG 4.18Å; Y351-F373 VanDerWaalsContact CZ-CB 3.43Å; Y351-F373 AromaticContact CZ-CD2 3.86Å; Y351-F373 PolarHBondContact N-O 2.96Å; Y351-F373 PolarHBondContact O-N 3.31Å; V353-F373 HydrophobicContact CB-CE2 4.32Å; V353-F373 HydrophobicContact CG2-CD2 3.82Å; V353-F373 HydrophobicContact CG2-CE2 3.82Å; Y371-F373 HydrophobicContact CD1-CZ 4.11Å; Y371-F373 HydrophobicContact CG-CE2 4.15Å; Y371-F373 AromaticContact CG-CZ 3.84Å; Y371-F373 HydrophobicContact CG-CZ 3.84Å |
| 374 | L | 98.9 | Very high | 95 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.2 | 177.4 | -49.2 | 173.7 | 0 | 0 | 0 | 109.7 | D32 F33 V35 F48 L58 V72 T78 I348 F349 A350 | D32-L374 WeakPolarHBondContact CB-O 3.47Å; F33-L374 HydrophobicContact CB-CB 4.2Å; F33-L374 PolarHBondContact N-O 3.09Å; F33-L374 VanDerWaalsContact N-O 3.08Å; F33-L374 PolarHBondContact O-N 2.93Å; V35-L374 HydrophobicContact CG2-CD1 4.22Å; V35-L374 HydrophobicContact CG2-CD2 4.05Å; V35-L374 HydrophobicContact CG2-CG 3.94Å; F48-L374 HydrophobicContact CZ-CD2 4.24Å; L58-L374 HydrophobicContact CD2-CD2 3.94Å; V72-L374 HydrophobicContact CB-CD1 4.43Å; V72-L374 HydrophobicContact CG1-CD1 3.53Å; V72-L374 HydrophobicContact CG2-CD1 4.04Å; T78-L374 HydrophobicContact CG2-CD1 3.66Å; I348-L374 HydrophobicContact CG2-CB 3.97Å; I348-L374 HydrophobicContact CG2-CD2 4.15Å; F349-L374 WeakPolarHBondContact O-CA 3.38Å; A350-L374 HydrophobicContact CB-CD2 3.6Å |
| 375 | H | 98.6 | Very high | 94.6 | Very high | 15 Ų | 15 | 60.3 Ų | 60.3 | 7% | 0.069 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.1 | -178.5 | -172.1 | 63 | 0 | 0 | 0 | 110.8 | D32 Y316 F318 K328 F349 Y351 C377 E380 | D32-H375 IonicContact OD1-CE1 2.85Å; D32-H375 IonicContact OD1-CG 3.27Å; D32-H375 IonicContact OD1-ND1 2.67Å; D32-H375 PolarHBondContact OD1-ND1 2.61Å; D32-H375 IonicContact OD2-CG 3.65Å; D32-H375 IonicContact OD2-ND1 3.63Å; Y316-H375 AromaticContact CZ-CD2 3.97Å; Y316-H375 PolarHBondContact OH-CD2 3.27Å; Y316-H375 PolarHBondContact OH-CE1 2.7Å; Y316-H375 VanDerWaalsContact OH-CE1 3.26Å; Y316-H375 PolarHBondContact OH-ND1 2.85Å; Y316-H375 PolarHBondContact OH-NE2 3.19Å; Y316-H375 VanDerWaalsContact OH-NE2 3.13Å; F318-H375 AromaticContact CE2-CD2 3.96Å; F318-H375 AromaticContact CZ-CD2 3.98Å; K328-H375 PolarHBondContact NZ-CE1 3.29Å; K328-H375 PolarHBondContact NZ-NE2 2.9Å; K328-H375 VanDerWaalsContact NZ-NE2 3.13Å; F349-H375 HydrophobicContact CB-CB 4.33Å; F349-H375 HydrophobicContact CD1-CB 4.24Å; F349-H375 PolarHBondContact N-O 3.46Å; F349-H375 PolarHBondContact O-N 3.38Å; Y351-H375 HydrophobicContact CE1-CB 4.29Å; H375-C377 PolarHBondContact O-N 3.13Å; H375-E380 IonicContact CD2-OE2 2.65Å; H375-E380 IonicContact CE1-OE2 2.73Å; H375-E380 IonicContact NE2-OE1 3.99Å; H375-E380 IonicContact NE2-OE2 3.73Å; H375-E380 PolarHBondContact NE2-OE2 3.29Å |
| 376 | A | 97.9 | Very high | 93.4 | Very high | 71 Ų | 71 | 66.4 Ų | 66.4 | 59% | 0.587 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 111.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | D347 | D347-A376 WeakPolarHBondContact O-CA 3.48Å |
| 377 | C | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -125.2 | -4.6 | -164.7 | 64.3 | 0 | 0 | 0 | 0 | 116 | F318 G346 D347 F349 H375 E379 E380 M381 | F318-C377 HydrophobicContact CE2-CB 3.86Å; F318-C377 HydrophobicContact CZ-CB 3.93Å; G346-C377 PolarHBondContact O-SG 2.74Å; D347-C377 PolarHBondContact O-N 3.01Å; D347-C377 VanDerWaalsContact O-N 3.07Å; F349-C377 HydrophobicContact CB-CB 4.09Å; F349-C377 VanDerWaalsContact CB-SG 3.59Å; H375-C377 PolarHBondContact O-N 3.13Å; C377-E379 PolarHBondContact O-N 2.64Å; C377-E380 PolarHBondContact O-N 3.14Å; C377-M381 HydrophobicContact CB-CG 4.13Å; C377-M381 WeakPolarHBondContact O-CB 3.08Å; C377-M381 WeakPolarHBondContact O-CG 3.39Å; C377-M381 PolarHBondContact O-N 3.11Å | ||
| 378 | F | 97.9 | Very high | 91.9 | Very high | 71 Ų | 71 | 70.5 Ų | 70.5 | 31% | 0.311 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -55.3 | -168.7 | -164.2 | -99.1 | 0 | 0 | 0 | 112.8 | H301 Q303 H304 D347 E380 M381 | H301-F378 AromaticContact CE1-CD2 3.93Å; Q303-F378 HydrophobicContact CB-CE2 4.29Å; Q303-F378 HydrophobicContact CG-CE2 4.18Å; H304-F378 PolarHBondContact CD2-O 2.94Å; H304-F378 AromaticContact CE1-CE1 3.92Å; H304-F378 AromaticContact CE1-CZ 3.75Å; H304-F378 AromaticContact NE2-CD1 3.94Å; H304-F378 AromaticContact NE2-CE1 3.77Å; H304-F378 AromaticContact NE2-CE2 3.94Å; H304-F378 AromaticContact NE2-CZ 3.77Å; H304-F378 PolarHBondContact NE2-O 2.81Å; D347-F378 HydrophobicContact CB-CB 4.35Å; D347-F378 HydrophobicContact CB-CD2 4.49Å; F378-E380 VanDerWaalsContact C-N 3.33Å; F378-E380 PolarHBondContact O-N 2.98Å; F378-M381 PolarHBondContact O-N 3.01Å |
| 379 | E | 97.4 | Very high | 91.9 | Very high | 123 Ų | 123 | 70.7 Ų | 70.7 | 58% | 0.575 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -66.6 | -34.1 | -179.1 | -66.3 | -59.8 | 133.5 | 0 | 0 | 112.9 | C377 M381 K382 | C377-E379 PolarHBondContact O-N 2.64Å; E379-M381 PolarHBondContact O-N 2.88Å; E379-K382 PolarHBondContact O-N 3.07Å; E379-K382 VanDerWaalsContact OE1-CE 3.24Å; E379-K382 WeakPolarHBondContact OE1-CE 3.24Å; E379-K382 IonicContact OE1-NZ 3.89Å; E379-K382 PolarHBondContact OE1-NZ 2.63Å; E379-K382 WeakPolarHBondContact OE2-CD 3.48Å; E379-K382 VanDerWaalsContact OE2-CE 3.24Å; E379-K382 WeakPolarHBondContact OE2-CE 3.38Å; E379-K382 IonicContact OE2-NZ 2.64Å; E379-K382 PolarHBondContact OE2-NZ 3.48Å |
| 380 | E | 97.3 | Very high | 91.7 | Very high | 72 Ų | 72 | 68.9 Ų | 68.9 | 34% | 0.336 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -73.2 | -21.2 | -177.4 | -51.4 | -168.7 | 145.8 | 0 | 0 | 113 | F318 K328 H375 C377 F378 | F318-E380 HydrophobicContact CD2-CB 4.33Å; F318-E380 HydrophobicContact CE2-CB 4.46Å; K328-E380 HydrophobicContact CD-CB 4.43Å; K328-E380 WeakPolarHBondContact CD-OE2 3.3Å; K328-E380 WeakPolarHBondContact CE-OE2 3.45Å; K328-E380 IonicContact NZ-OE1 2.63Å; K328-E380 PolarHBondContact NZ-OE1 2.99Å; K328-E380 IonicContact NZ-OE2 3.25Å; K328-E380 PolarHBondContact NZ-OE2 3.35Å; H375-E380 IonicContact CD2-OE2 2.65Å; H375-E380 IonicContact CE1-OE2 2.73Å; H375-E380 IonicContact NE2-OE1 3.99Å; H375-E380 IonicContact NE2-OE2 3.73Å; H375-E380 PolarHBondContact NE2-OE2 3.29Å; C377-E380 PolarHBondContact O-N 3.14Å; F378-E380 VanDerWaalsContact C-N 3.33Å; F378-E380 PolarHBondContact O-N 2.98Å |
| 381 | M | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -96.9 | 0.9 | -178.9 | -72.8 | -73.7 | -77.7 | 0 | 0 | 112.8 | H301 T306 F318 F342 C377 F378 E379 | H301-M381 HydrophobicContact CB-CE 3.71Å; H301-M381 VanDerWaalsContact CD2-CB 3.42Å; H301-M381 WeakPolarHBondContact CD2-CB 3.26Å; T306-M381 WeakPolarHBondContact CB-O 3.27Å; T306-M381 WeakPolarHBondContact CG2-O 3.4Å; T306-M381 WeakPolarHBondContact OG1-CE 3.26Å; T306-M381 PolarHBondContact OG1-O 2.93Å; F318-M381 HydrophobicContact CB-SD 3.31Å; F318-M381 WeakPolarHBondContact CB-SD 3.26Å; F318-M381 HydrophobicContact CD1-CE 4.27Å; F318-M381 HydrophobicContact CD1-CG 4.49Å; F318-M381 HydrophobicContact CD1-SD 3.39Å; F318-M381 WeakPolarHBondContact CD1-SD 3.42Å; F318-M381 HydrophobicContact CD2-CG 3.88Å; F318-M381 HydrophobicContact CD2-SD 3.52Å; F318-M381 VanDerWaalsContact CD2-SD 3.52Å; F318-M381 HydrophobicContact CE1-SD 4.03Å; F318-M381 HydrophobicContact CE2-CG 4.12Å; F318-M381 HydrophobicContact CE2-SD 4.15Å; F318-M381 HydrophobicContact CG-CE 4.48Å; F318-M381 HydrophobicContact CG-CG 4.1Å; F318-M381 HydrophobicContact CG-SD 3.11Å; F318-M381 WeakPolarHBondContact CG-SD 3.36Å; F318-M381 HydrophobicContact CZ-SD 4.38Å; F342-M381 HydrophobicContact CE1-CE 4.13Å; F342-M381 HydrophobicContact CE2-CE 4.36Å; F342-M381 HydrophobicContact CZ-CE 3.54Å; C377-M381 HydrophobicContact CB-CG 4.13Å; C377-M381 WeakPolarHBondContact O-CB 3.08Å; C377-M381 WeakPolarHBondContact O-CG 3.39Å; C377-M381 PolarHBondContact O-N 3.11Å; F378-M381 PolarHBondContact O-N 3.01Å; E379-M381 PolarHBondContact O-N 2.88Å |
| 382 | K | 96.9 | Very high | 90.9 | Very high | 85 Ų | 85 | 75.3 Ų | 75.3 | 37% | 0.37 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -61.9 | 132.9 | 175.5 | -77.4 | -178.3 | 178.9 | 171.8 | 0 | 110.7 | H304 E379 | H304-K382 WeakPolarHBondContact NE2-CG 3.31Å; E379-K382 PolarHBondContact O-N 3.07Å; E379-K382 VanDerWaalsContact OE1-CE 3.24Å; E379-K382 WeakPolarHBondContact OE1-CE 3.24Å; E379-K382 IonicContact OE1-NZ 3.89Å; E379-K382 PolarHBondContact OE1-NZ 2.63Å; E379-K382 WeakPolarHBondContact OE2-CD 3.48Å; E379-K382 VanDerWaalsContact OE2-CE 3.24Å; E379-K382 WeakPolarHBondContact OE2-CE 3.38Å; E379-K382 IonicContact OE2-NZ 2.64Å; E379-K382 PolarHBondContact OE2-NZ 3.48Å |
| 383 | P | 94.1 | Very high | 90.4 | Very high | 48 Ų | 48 | 80.3 Ų | 80.3 | 31% | 0.312 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 145 | 173 | -22 | 31.8 | 0 | 0 | 0 | 110.8 | T306 D320 A385 | T306-P383 HydrophobicContact CG2-CB 4.44Å; T306-P383 HydrophobicContact CG2-CG 3.9Å; D320-P383 VanDerWaalsContact OD2-CA 3.3Å; D320-P383 WeakPolarHBondContact OD2-CA 3.33Å; D320-P383 WeakPolarHBondContact OD2-CB 3.23Å; P383-A385 PolarHBondContact O-N 2.91Å |
| 384 | R | 83.3 | Confident | 89.8 | Confident | 145 Ų | 145 | 86.1 Ų | 86.1 | 55% | 0.547 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 135.4 | 174.7 | -68.6 | -176.3 | 178.9 | -159.8 | 0.7 | 108.6 | D320 K326 L327 K386 | D320-R384 PolarHBondContact OD2-N 3.23Å; D320-R384 VanDerWaalsContact OD2-N 3.14Å; K326-R384 PolarHBondContact O-NH2 3.23Å; L327-R384 HydrophobicContact CD2-CG 3.86Å; R384-K386 PolarHBondContact O-N 3.13Å |
| 385 | A | 78.1 | Confident | 89.1 | Confident | 93 Ų | 93 | 92.5 Ų | 92.5 | 77% | 0.769 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 132 | 171 | 0 | 0 | 0 | 0 | 0 | 109.1 | P383 K387 | P383-A385 PolarHBondContact O-N 2.91Å; A385-K387 PolarHBondContact O-N 3.28Å; A385-K387 VanDerWaalsContact O-N 3.13Å |
| 386 | K | 64.5 | Low | 88.3 | Confident | 201 Ų | 201 | 98.9 Ų | 98.9 | 87% | 0.874 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 119.4 | 169.7 | -73.3 | -175.3 | 177.6 | -179.1 | 0 | 106.7 | R384 | R384-K386 PolarHBondContact O-N 3.13Š|
| 387 | K | 56.2 | Low | 87.4 | Confident | 278 Ų | 278 | 101.5 Ų | 101.5 | 100% | 1.209 | 48% | 0.482 | S | S | * | . | trans | -66.4 | 0 | 170.1 | -81.9 | -170 | 175.3 | -174.2 | 0 | 110.5 | A385 | A385-K387 PolarHBondContact O-N 3.28Å; A385-K387 VanDerWaalsContact O-N 3.13Å |
Retrieved 387 of 387 residues in 179.3 ms
(Link to these results)