| 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 | 35.5 | Very low | 32 | Very low | 245 Ų | 245 | 156.7 Ų | 156.7 | 100% | 1.207 | 84% | 0.837 | S | S | * | * | 0 | 89.8 | 0 | -89 | 175.9 | 154.6 | 0 | 0 | 106.8 | |||||
| 2 | E | 31.5 | Very low | 32 | Very low | 199 Ų | 199 | 154 Ų | 154 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -117.6 | 125.4 | 175.8 | -73.7 | -178.7 | 153 | 0 | 0 | 107.6 | ||||
| 3 | P | 33.4 | Very low | 31.8 | Very low | 121 Ų | 121 | 153 Ų | 153 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -112.7 | 157 | 160.1 | 32.5 | -18.7 | 0 | 0 | 0 | 111.2 | ||||
| 4 | P | 35.2 | Very low | 31.6 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | -109.8 | 150.2 | -122.5 | 36.2 | -31 | 0 | 0 | 0 | 114.3 | L6 | P4-L6 HydrophobicContact CB-CB 4.47Å; P4-L6 PolarHBondContact O-N 3.04Å | |||
| 5 | T | 31.8 | Very low | 31.8 | Very low | 155 Ų | 155 | 152.1 Ų | 152.1 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -66.6 | 55.2 | 168 | -1.2 | 0 | 0 | 0 | 0 | 112 | ||
| 6 | L | 29 | Very low | 31.5 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | -138.7 | 40.2 | -174.6 | -135.3 | 115.5 | 0 | 0 | 0 | 113.5 | P4 | P4-L6 HydrophobicContact CB-CB 4.47Å; P4-L6 PolarHBondContact O-N 3.04Å | ||
| 7 | L | 29.3 | Very low | 31.7 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -126.2 | 2 | 174.6 | -133.5 | 98.3 | 0 | 0 | 0 | 115.2 | ||
| 8 | I | 33.5 | Very low | 31.6 | Very low | 152 Ų | 152 | 143 Ų | 143 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -106.7 | -9.4 | -171.2 | -65 | 177.5 | 0 | 0 | 0 | 113.6 | ||
| 9 | V | 31.6 | Very low | 31.6 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -101.7 | -11.3 | -177.2 | -176.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 10 | F | 29.3 | Very low | 31.8 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 4.8 | -177.1 | -105.4 | -82.5 | 0 | 0 | 0 | 116 | L14 | F10-L14 HydrophobicContact CD1-CD1 4.2Š|
| 11 | L | 31.8 | Very low | 31.9 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 3.5 | -179.5 | -110 | 137.8 | 0 | 0 | 0 | 114.6 | ||
| 12 | I | 32.2 | Very low | 32.1 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -111.1 | -6.4 | -176.3 | -61.6 | 178.4 | 0 | 0 | 0 | 113 | M62 | I12-M62 HydrophobicContact CD1-CE 3.99Š|
| 13 | L | 29.5 | Very low | 32.6 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -126 | 12.3 | -172.6 | -80.6 | 161.8 | 0 | 0 | 0 | 116.4 | ||
| 14 | L | 29 | Very low | 33.4 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | trans | -122.3 | 30.2 | -178.4 | -75.6 | 170 | 0 | 0 | 0 | 115.1 | F10 | F10-L14 HydrophobicContact CD1-CD1 4.2Š| ||
| 15 | L | 34.6 | Very low | 35.1 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | trans | -122.2 | 52 | 163 | -74.5 | 168.7 | 0 | 0 | 0 | 110.2 | P17 | L15-P17 WeakPolarHBondContact O-CD 3.43Š| ||
| 16 | S | 27.6 | Very low | 37.5 | Very low | 93 Ų | 93 | 128.8 Ų | 128.8 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | trans | -68.7 | 118.9 | 153.2 | -39.5 | 0 | 0 | 0 | 0 | 106.4 | T18 | S16-T18 PolarHBondContact O-N 3.35Š| ||
| 17 | P | 33.4 | Very low | 40.3 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 47% | 0.468 | 66% | 0.656 | S | S | . | * | trans | -70.7 | 102.6 | 174.2 | 26.5 | -25 | 0 | 0 | 0 | 107.8 | L15 H156 | L15-P17 WeakPolarHBondContact O-CD 3.43Å; P17-H156 HydrophobicContact CG-CB 4.37Å | ||
| 18 | T | 30.3 | Very low | 43 | Very low | 127 Ų | 127 | 116.6 Ų | 116.6 | 78% | 0.779 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -58.6 | 130.7 | 159 | 45.4 | 0 | 0 | 0 | 0 | 108.5 | S16 | S16-T18 PolarHBondContact O-N 3.35Š|
| 19 | E | 32.7 | Very low | 45.6 | Very low | 188 Ų | 188 | 113.5 Ų | 113.5 | 88% | 0.879 | 61% | 0.605 | S | S | * | * | trans | 71 | 69.5 | 177.7 | -60.5 | -180 | 159.7 | 0 | 0 | 115.7 | T21 | E19-T21 PolarHBondContact O-N 3.41Š| ||
| 20 | E | 34.7 | Very low | 48.4 | Very low | 111 Ų | 111 | 111.1 Ų | 111.1 | 52% | 0.519 | 59% | 0.588 | S | S | . | * | trans | -72.2 | 100.5 | 142.9 | -81.1 | -173.2 | 154 | 0 | 0 | 107.4 | E22 | E20-E22 VanDerWaalsContact C-N 3.33Å; E20-E22 PolarHBondContact O-N 3.5Å | ||
| 21 | T | 35.1 | Very low | 51.3 | Low | 119 Ų | 119 | 103 Ų | 103 | 73% | 0.73 | 55% | 0.553 | S | S | * | * | trans | -55.8 | 106.1 | 155.1 | 29.6 | 0 | 0 | 0 | 0 | 106.9 | E19 M23 | E19-T21 PolarHBondContact O-N 3.41Å; T21-M23 PolarHBondContact O-N 3.36Å | ||
| 22 | E | 39.2 | Very low | 54.1 | Low | 188 Ų | 188 | 96.1 Ų | 96.1 | 88% | 0.879 | 52% | 0.517 | S | S | * | . | trans | -55 | 75.4 | 161.2 | -72.9 | -177.2 | 145.9 | 0 | 0 | 109.1 | E20 N24 | E20-E22 VanDerWaalsContact C-N 3.33Å; E20-E22 PolarHBondContact O-N 3.5Å; E22-N24 PolarHBondContact O-N 2.68Å | ||
| 23 | M | 41 | Very low | 57 | Low | 123 Ų | 123 | 95.3 Ų | 95.3 | 61% | 0.606 | 51% | 0.509 | S | S | * | . | trans | -79.1 | 78.2 | 154 | -116.5 | -176.4 | 68.3 | 0 | 0 | 105.6 | T21 D25 | T21-M23 PolarHBondContact O-N 3.36Å; M23-D25 PolarHBondContact O-N 3.37Å | ||
| 24 | N | 50.6 | Low | 60 | Low | 137 Ų | 137 | 89.3 Ų | 89.3 | 73% | 0.733 | 48% | 0.478 | S | S | * | . | trans | -68.3 | 94.2 | 164.4 | -151.9 | 14.6 | 0 | 0 | 0 | 105.8 | E22 A26 | E22-N24 PolarHBondContact O-N 2.68Å; N24-A26 PolarHBondContact O-N 2.81Å; N24-A26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | D | 71.2 | Confident | 63 | Low | 31 Ų | 31 | 83 Ų | 83 | 17% | 0.166 | 45% | 0.445 | C | S | . | . | trans | -77.5 | 101.6 | -168.2 | -173.3 | 2.1 | 0 | 0 | 0 | 108.7 | M23 F27 E28 E29 K393 | M23-D25 PolarHBondContact O-N 3.37Å; D25-F27 CarbonylContact O-C 3.45Å; D25-F27 PolarHBondContact O-N 3.17Å; D25-E28 HydrophobicContact CB-CB 4.1Å; D25-E28 WeakPolarHBondContact O-CA 3.12Å; D25-E28 WeakPolarHBondContact O-CB 3.45Å; D25-E28 PolarHBondContact O-N 2.85Å; D25-E29 PolarHBondContact O-N 3.07Å; D25-K393 WeakPolarHBondContact OD1-CE 3.49Å; D25-K393 IonicContact OD1-NZ 2.91Å; D25-K393 PolarHBondContact OD1-NZ 3.36Å; D25-K393 WeakPolarHBondContact OD2-CE 3.36Å; D25-K393 IonicContact OD2-NZ 2.7Å; D25-K393 PolarHBondContact OD2-NZ 2.82Å | ||
| 26 | A | 82.6 | Confident | 65.6 | Low | 61 Ų | 61 | 78.9 Ų | 78.9 | 50% | 0.504 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -51.3 | -25.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N24 N30 | N24-A26 PolarHBondContact O-N 2.81Å; N24-A26 VanDerWaalsContact O-N 3.12Å; A26-N30 WeakPolarHBondContact O-CB 3.43Å; A26-N30 VanDerWaalsContact O-CG 3.25Å; A26-N30 PolarHBondContact O-N 2.9Å; A26-N30 PolarHBondContact O-ND2 3.04Å |
| 27 | F | 86.2 | Confident | 68.6 | Low | 19 Ų | 19 | 79 Ų | 79 | 8% | 0.083 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68 | -47.6 | 171.9 | -178.2 | -92.7 | 0 | 0 | 0 | 112.8 | D25 E29 N30 F31 L384 V388 L441 F445 | D25-F27 CarbonylContact O-C 3.45Å; D25-F27 PolarHBondContact O-N 3.17Å; F27-E29 VanDerWaalsContact C-N 3.34Å; F27-E29 PolarHBondContact O-N 3.11Å; F27-N30 PolarHBondContact O-N 3.1Å; F27-F31 HydrophobicContact CE1-CB 4.47Å; F27-F31 HydrophobicContact CE1-CD2 4.26Å; F27-F31 HydrophobicContact CZ-CD2 4.37Å; F27-F31 VanDerWaalsContact O-CB 3.31Å; F27-F31 WeakPolarHBondContact O-CB 3.18Å; F27-F31 PolarHBondContact O-N 3.34Å; F27-L384 HydrophobicContact CD2-CD1 3.7Å; F27-L384 HydrophobicContact CD2-CG 4.29Å; F27-L384 HydrophobicContact CE2-CD1 3.64Å; F27-L384 HydrophobicContact CE2-CD2 4.32Å; F27-L384 HydrophobicContact CE2-CG 3.7Å; F27-L384 HydrophobicContact CZ-CD1 4.5Å; F27-L384 HydrophobicContact CZ-CD2 4.45Å; F27-L384 HydrophobicContact CZ-CG 4.27Å; F27-V388 HydrophobicContact CD2-CB 4Å; F27-V388 HydrophobicContact CD2-CG1 4.2Å; F27-V388 HydrophobicContact CD2-CG2 4.22Å; F27-V388 HydrophobicContact CE2-CB 3.92Å; F27-V388 HydrophobicContact CE2-CG1 3.59Å; F27-V388 HydrophobicContact CE2-CG2 4.35Å; F27-V388 HydrophobicContact CZ-CG1 4.15Å; F27-L441 HydrophobicContact CZ-CD2 4.13Å; F27-F445 HydrophobicContact CD1-CD1 4.33Å; F27-F445 AromaticContact CD1-CE1 3.82Å; F27-F445 HydrophobicContact CD1-CE1 3.82Å; F27-F445 HydrophobicContact CD1-CE2 4.04Å; F27-F445 AromaticContact CD1-CZ 3.66Å; F27-F445 HydrophobicContact CD1-CZ 3.66Å; F27-F445 HydrophobicContact CE1-CD1 4.13Å; F27-F445 AromaticContact CE1-CD2 3.86Å; F27-F445 HydrophobicContact CE1-CD2 3.86Å; F27-F445 HydrophobicContact CE1-CE1 4.02Å; F27-F445 AromaticContact CE1-CE2 3.75Å; F27-F445 HydrophobicContact CE1-CE2 3.75Å; F27-F445 HydrophobicContact CE1-CG 4.06Å; F27-F445 AromaticContact CE1-CZ 3.83Å; F27-F445 HydrophobicContact CE1-CZ 3.83Å |
| 28 | E | 86.1 | Confident | 71.3 | Confident | 21 Ų | 21 | 75.6 Ų | 75.6 | 10% | 0.098 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 178.9 | -168.9 | -176.2 | 134.9 | 0 | 0 | 110.7 | D25 N30 F31 D32 K157 F445 Y448 | D25-E28 HydrophobicContact CB-CB 4.1Å; D25-E28 WeakPolarHBondContact O-CA 3.12Å; D25-E28 WeakPolarHBondContact O-CB 3.45Å; D25-E28 PolarHBondContact O-N 2.85Å; E28-N30 PolarHBondContact O-N 2.94Å; E28-F31 WeakPolarHBondContact O-CB 3.42Å; E28-F31 PolarHBondContact O-N 3.37Å; E28-D32 PolarHBondContact O-N 3.12Å; E28-K157 IonicContact OE2-NZ 3.33Å; E28-F445 HydrophobicContact CB-CE1 3.92Å; E28-F445 HydrophobicContact CG-CD1 4.39Å; E28-F445 HydrophobicContact CG-CE1 3.98Å; E28-Y448 HydrophobicContact CG-CD1 4.44Å; E28-Y448 HydrophobicContact CG-CE1 4.06Å; E28-Y448 WeakPolarHBondContact OE1-CE1 3.35Å; E28-Y448 VanDerWaalsContact OE1-CZ 3.24Å; E28-Y448 PolarHBondContact OE1-OH 2.68Å; E28-Y448 VanDerWaalsContact OE1-OH 3.08Å |
| 29 | E | 88.5 | Confident | 74 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 41% | 0.407 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 178.5 | -165.6 | -164.6 | 146.7 | 0 | 0 | 112.4 | D25 F27 F31 D32 K33 | D25-E29 PolarHBondContact O-N 3.07Å; F27-E29 VanDerWaalsContact C-N 3.34Å; F27-E29 PolarHBondContact O-N 3.11Å; E29-F31 VanDerWaalsContact C-N 3.33Å; E29-D32 PolarHBondContact O-N 3.29Å; E29-K33 WeakPolarHBondContact O-CG 3.45Å; E29-K33 PolarHBondContact O-N 3.44Å; E29-K33 VanDerWaalsContact O-N 3.14Å; E29-K33 WeakPolarHBondContact OE1-CE 3.37Å; E29-K33 IonicContact OE1-NZ 3.39Å; E29-K33 PolarHBondContact OE1-NZ 3.28Å |
| 30 | N | 90.9 | Very high | 76.5 | Confident | 70 Ų | 70 | 70.4 Ų | 70.4 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.1 | -34 | 175.8 | -75 | -46.6 | 0 | 0 | 0 | 111.9 | A26 F27 E28 K33 V34 L384 | A26-N30 WeakPolarHBondContact O-CB 3.43Å; A26-N30 VanDerWaalsContact O-CG 3.25Å; A26-N30 PolarHBondContact O-N 2.9Å; A26-N30 PolarHBondContact O-ND2 3.04Å; F27-N30 PolarHBondContact O-N 3.1Å; E28-N30 PolarHBondContact O-N 2.94Å; N30-K33 PolarHBondContact O-N 3.17Å; N30-V34 WeakPolarHBondContact O-CG2 3.39Å; N30-V34 PolarHBondContact O-N 2.86Å; N30-L384 HydrophobicContact CB-CD1 3.78Å |
| 31 | F | 91.1 | Very high | 79 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.2 | -50.3 | 173.9 | -174.7 | -83.7 | 0 | 0 | 0 | 110.8 | F27 E28 E29 K33 V34 M35 L384 F442 F445 L446 | F27-F31 HydrophobicContact CE1-CB 4.47Å; F27-F31 HydrophobicContact CE1-CD2 4.26Å; F27-F31 HydrophobicContact CZ-CD2 4.37Å; F27-F31 VanDerWaalsContact O-CB 3.31Å; F27-F31 WeakPolarHBondContact O-CB 3.18Å; F27-F31 PolarHBondContact O-N 3.34Å; E28-F31 WeakPolarHBondContact O-CB 3.42Å; E28-F31 PolarHBondContact O-N 3.37Å; E29-F31 VanDerWaalsContact C-N 3.33Å; F31-K33 VanDerWaalsContact C-N 3.3Å; F31-K33 PolarHBondContact O-N 3.17Å; F31-V34 PolarHBondContact O-N 3.42Å; F31-V34 VanDerWaalsContact O-N 3.15Å; F31-M35 HydrophobicContact CD1-CG 3.71Å; F31-M35 HydrophobicContact CE1-CG 3.28Å; F31-M35 HydrophobicContact CE1-SD 4.1Å; F31-M35 HydrophobicContact CE2-CE 4.42Å; F31-M35 HydrophobicContact CZ-CE 4.27Å; F31-M35 HydrophobicContact CZ-CG 3.81Å; F31-M35 HydrophobicContact CZ-SD 4.01Å; F31-M35 WeakPolarHBondContact O-CG 3.35Å; F31-M35 PolarHBondContact O-N 3.05Å; F31-L384 HydrophobicContact CB-CD2 4.03Å; F31-L384 HydrophobicContact CD2-CD2 4.01Å; F31-L384 HydrophobicContact CG-CD2 4.43Å; F31-F442 HydrophobicContact CD2-CD2 4.41Å; F31-F442 HydrophobicContact CD2-CE2 4.22Å; F31-F442 AromaticContact CE2-CD2 3.41Å; F31-F442 HydrophobicContact CE2-CD2 3.41Å; F31-F442 VanDerWaalsContact CE2-CD2 3.41Å; F31-F442 AromaticContact CE2-CE2 3.27Å; F31-F442 HydrophobicContact CE2-CE2 3.27Å; F31-F442 HydrophobicContact CE2-CG 4.2Å; F31-F442 HydrophobicContact CE2-CZ 4.03Å; F31-F442 HydrophobicContact CZ-CD2 4.09Å; F31-F442 AromaticContact CZ-CE2 3.74Å; F31-F442 HydrophobicContact CZ-CE2 3.74Å; F31-F442 HydrophobicContact CZ-CZ 4.02Å; F31-F445 HydrophobicContact CD1-CB 3.96Å; F31-F445 HydrophobicContact CD1-CD1 4.5Å; F31-F445 HydrophobicContact CD2-CB 3.84Å; F31-F445 HydrophobicContact CD2-CG 4.35Å; F31-F445 HydrophobicContact CE1-CB 3.69Å; F31-F445 HydrophobicContact CE2-CB 3.53Å; F31-F445 HydrophobicContact CE2-CG 4.45Å; F31-F445 HydrophobicContact CG-CB 4.04Å; F31-F445 HydrophobicContact CG-CD1 4.32Å; F31-F445 HydrophobicContact CG-CG 4.45Å; F31-F445 HydrophobicContact CZ-CB 3.49Å; F31-F445 VanDerWaalsContact CZ-CB 3.49Å; F31-L446 HydrophobicContact CZ-CB 4.18Å |
| 32 | D | 90.6 | Very high | 81.6 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 8% | 0.075 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.3 | -44.8 | 177.7 | -77.3 | -0.9 | 0 | 0 | 0 | 111.1 | E28 E29 V34 M35 D36 Y449 K452 | E28-D32 PolarHBondContact O-N 3.12Å; E29-D32 PolarHBondContact O-N 3.29Å; D32-V34 PolarHBondContact O-N 3.32Å; D32-M35 PolarHBondContact O-N 2.94Å; D32-D36 WeakPolarHBondContact O-CB 3.42Å; D32-D36 PolarHBondContact O-N 2.99Å; D32-Y449 HydrophobicContact CB-CD2 4.5Å; D32-K452 IonicContact OD2-NZ 3.01Å; D32-K452 PolarHBondContact OD2-NZ 3.37Å |
| 33 | K | 91.8 | Very high | 84 | Confident | 106 Ų | 106 | 58.5 Ų | 58.5 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.8 | -74.3 | 167.6 | 173 | 165.3 | 0 | 113.3 | E29 N30 F31 T37 | E29-K33 WeakPolarHBondContact O-CG 3.45Å; E29-K33 PolarHBondContact O-N 3.44Å; E29-K33 VanDerWaalsContact O-N 3.14Å; E29-K33 WeakPolarHBondContact OE1-CE 3.37Å; E29-K33 IonicContact OE1-NZ 3.39Å; E29-K33 PolarHBondContact OE1-NZ 3.28Å; N30-K33 PolarHBondContact O-N 3.17Å; F31-K33 VanDerWaalsContact C-N 3.3Å; F31-K33 PolarHBondContact O-N 3.17Å; K33-T37 PolarHBondContact O-N 2.87Å; K33-T37 PolarHBondContact O-OG1 3.09Å |
| 34 | V | 92.4 | Very high | 86.2 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 177.4 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | N30 F31 D32 T37 L38 L381 L384 | N30-V34 WeakPolarHBondContact O-CG2 3.39Å; N30-V34 PolarHBondContact O-N 2.86Å; F31-V34 PolarHBondContact O-N 3.42Å; F31-V34 VanDerWaalsContact O-N 3.15Å; D32-V34 PolarHBondContact O-N 3.32Å; V34-T37 WeakPolarHBondContact O-CB 3.1Å; V34-T37 PolarHBondContact O-N 2.82Å; V34-L38 HydrophobicContact CG1-CD1 4.11Å; V34-L38 PolarHBondContact O-N 2.93Å; V34-L381 HydrophobicContact CG1-CB 4.03Å; V34-L384 HydrophobicContact CG2-CD2 4.26Å |
| 35 | M | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.2 | -38.8 | 178.1 | -68.4 | -49.5 | 101.3 | 0 | 0 | 112.3 | F31 D32 T37 L38 A39 L381 F442 L446 Y449 | F31-M35 HydrophobicContact CD1-CG 3.71Å; F31-M35 HydrophobicContact CE1-CG 3.28Å; F31-M35 HydrophobicContact CE1-SD 4.1Å; F31-M35 HydrophobicContact CE2-CE 4.42Å; F31-M35 HydrophobicContact CZ-CE 4.27Å; F31-M35 HydrophobicContact CZ-CG 3.81Å; F31-M35 HydrophobicContact CZ-SD 4.01Å; F31-M35 WeakPolarHBondContact O-CG 3.35Å; F31-M35 PolarHBondContact O-N 3.05Å; D32-M35 PolarHBondContact O-N 2.94Å; M35-T37 PolarHBondContact O-N 3.41Å; M35-L38 HydrophobicContact CE-CD1 3.87Å; M35-L38 CarbonylContact O-C 3.58Å; M35-L38 PolarHBondContact O-N 2.87Å; M35-L38 VanDerWaalsContact O-N 3.1Å; M35-A39 WeakPolarHBondContact O-CA 3.4Å; M35-A39 PolarHBondContact O-N 3.17Å; M35-L381 HydrophobicContact CE-CD1 4.32Å; M35-F442 HydrophobicContact CE-CE2 3.7Å; M35-F442 HydrophobicContact CE-CZ 3.47Å; M35-F442 VanDerWaalsContact CE-CZ 3.47Å; M35-F442 HydrophobicContact SD-CE2 4.37Å; M35-F442 HydrophobicContact SD-CZ 3.7Å; M35-L446 HydrophobicContact CG-CD1 4.41Å; M35-L446 HydrophobicContact SD-CD1 3.92Å; M35-Y449 HydrophobicContact CB-CD1 4.09Å; M35-Y449 HydrophobicContact CB-CD2 3.74Å; M35-Y449 HydrophobicContact CB-CE1 3.87Å; M35-Y449 HydrophobicContact CB-CE2 3.48Å; M35-Y449 VanDerWaalsContact CB-CE2 3.48Å; M35-Y449 HydrophobicContact CB-CG 4.04Å; M35-Y449 HydrophobicContact CG-CD1 4.38Å; M35-Y449 HydrophobicContact CG-CD2 4.26Å; M35-Y449 HydrophobicContact CG-CE2 4.46Å; M35-Y449 HydrophobicContact CG-CG 4.21Å |
| 36 | D | 90.6 | Very high | 89 | Confident | 74 Ų | 74 | 49.4 Ų | 49.4 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.2 | -36.1 | 173.5 | -76.5 | -30.1 | 0 | 0 | 0 | 110.6 | D32 A39 Y449 K453 | D32-D36 WeakPolarHBondContact O-CB 3.42Å; D32-D36 PolarHBondContact O-N 2.99Å; D36-A39 WeakPolarHBondContact O-CB 3.42Å; D36-A39 PolarHBondContact O-N 3.41Å; D36-Y449 PolarHBondContact OD1-OH 3Å; D36-Y449 VanDerWaalsContact OD1-OH 3.05Å; D36-K453 VanDerWaalsContact CG-NZ 3.29Å; D36-K453 WeakPolarHBondContact OD1-CE 3.39Å; D36-K453 IonicContact OD1-NZ 2.66Å; D36-K453 PolarHBondContact OD1-NZ 3.2Å; D36-K453 IonicContact OD2-NZ 2.73Å; D36-K453 PolarHBondContact OD2-NZ 3.18Å |
| 37 | T | 90 | Very high | 88.9 | Confident | 96 Ų | 96 | 46.9 Ų | 46.9 | 59% | 0.589 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -69.8 | -35.8 | 174.9 | -53.9 | 0 | 0 | 0 | 0 | 112.5 | K33 V34 M35 A39 A377 | K33-T37 PolarHBondContact O-N 2.87Å; K33-T37 PolarHBondContact O-OG1 3.09Å; V34-T37 WeakPolarHBondContact O-CB 3.1Å; V34-T37 PolarHBondContact O-N 2.82Å; M35-T37 PolarHBondContact O-N 3.41Å; T37-A39 VanDerWaalsContact C-N 3.34Å; T37-A377 HydrophobicContact CG2-CB 4.2Å |
| 38 | L | 90.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -84.1 | -7.8 | 178.1 | -76.3 | 169.5 | 0 | 0 | 0 | 113.2 | V34 M35 F40 D41 I42 A377 I378 L418 | V34-L38 HydrophobicContact CG1-CD1 4.11Å; V34-L38 PolarHBondContact O-N 2.93Å; M35-L38 HydrophobicContact CE-CD1 3.87Å; M35-L38 CarbonylContact O-C 3.58Å; M35-L38 PolarHBondContact O-N 2.87Å; M35-L38 VanDerWaalsContact O-N 3.1Å; L38-F40 VanDerWaalsContact C-N 3.28Å; L38-F40 PolarHBondContact O-N 3.43Å; L38-F40 VanDerWaalsContact O-N 3.17Å; L38-D41 PolarHBondContact O-N 2.81Å; L38-I42 HydrophobicContact CB-CG2 4.28Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 2.83Å; L38-A377 HydrophobicContact CD2-CB 3.51Å; L38-A377 HydrophobicContact CG-CB 4.02Å; L38-I378 HydrophobicContact CD2-CD1 4.28Å; L38-L418 HydrophobicContact CD1-CD2 4.46Å |
| 39 | A | 86.7 | Confident | 87.6 | Confident | 35 Ų | 35 | 53.3 Ų | 53.3 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -53.9 | -44.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M35 D36 T37 I42 Q43 | M35-A39 WeakPolarHBondContact O-CA 3.4Å; M35-A39 PolarHBondContact O-N 3.17Å; D36-A39 WeakPolarHBondContact O-CB 3.42Å; D36-A39 PolarHBondContact O-N 3.41Å; T37-A39 VanDerWaalsContact C-N 3.34Å; A39-I42 PolarHBondContact O-N 3.39Å; A39-Q43 WeakPolarHBondContact O-CB 3.13Å; A39-Q43 PolarHBondContact O-N 2.73Å |
| 40 | F | 85.9 | Confident | 86.5 | Confident | 171 Ų | 171 | 50.1 Ų | 50.1 | 75% | 0.75 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 177.1 | -175.9 | -96.5 | 0 | 0 | 0 | 112.6 | L38 I42 | L38-F40 VanDerWaalsContact C-N 3.28Å; L38-F40 PolarHBondContact O-N 3.43Å; L38-F40 VanDerWaalsContact O-N 3.17Å; F40-I42 VanDerWaalsContact C-N 3.28Å; F40-I42 PolarHBondContact O-N 2.94Å |
| 41 | D | 87 | Confident | 85.1 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.3 | -27.7 | -179.1 | -67.3 | -13.3 | 0 | 0 | 0 | 112 | L38 F45 F373 | L38-D41 PolarHBondContact O-N 2.81Å; D41-F45 WeakPolarHBondContact O-CE2 3.38Å; D41-F373 HydrophobicContact CB-CD1 4.11Å; D41-F373 HydrophobicContact CB-CE1 4.07Å |
| 42 | I | 90.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -103.5 | -10.5 | -174.7 | 72.2 | 178.9 | 0 | 0 | 0 | 114.7 | L38 A39 F40 D44 F45 L46 F373 L414 L418 | L38-I42 HydrophobicContact CB-CG2 4.28Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 2.83Å; A39-I42 PolarHBondContact O-N 3.39Å; F40-I42 VanDerWaalsContact C-N 3.28Å; F40-I42 PolarHBondContact O-N 2.94Å; I42-D44 VanDerWaalsContact C-N 3.29Å; I42-D44 PolarHBondContact O-N 3.49Å; I42-F45 WeakPolarHBondContact O-CA 3.33Å; I42-F45 PolarHBondContact O-N 3.1Å; I42-L46 HydrophobicContact CD1-CD2 4.35Å; I42-L46 HydrophobicContact CG1-CG 4.46Å; I42-L46 PolarHBondContact O-N 3.29Å; I42-F373 HydrophobicContact CG2-CE1 4.02Å; I42-L414 HydrophobicContact CB-CD2 4.21Å; I42-L414 HydrophobicContact CG2-CD1 4.39Å; I42-L418 HydrophobicContact CG2-CD1 4.34Å; I42-L418 HydrophobicContact CG2-CD2 4.23Å |
| 43 | Q | 88.4 | Confident | 82.1 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 58% | 0.575 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -53.7 | -44.4 | -170.4 | 179.3 | 173.3 | -3.3 | 0 | 0 | 112.7 | A39 F45 L46 | A39-Q43 WeakPolarHBondContact O-CB 3.13Å; A39-Q43 PolarHBondContact O-N 2.73Å; Q43-F45 PolarHBondContact O-N 3.37Å; Q43-L46 PolarHBondContact O-N 2.83Å |
| 44 | D | 88.4 | Confident | 80.4 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 35% | 0.353 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -67.2 | -20.8 | -178.9 | -68.3 | -14.5 | 0 | 0 | 0 | 112.7 | I42 R260 R264 | I42-D44 VanDerWaalsContact C-N 3.29Å; I42-D44 PolarHBondContact O-N 3.49Å; D44-R260 IonicContact OD2-CZ 3.7Å; D44-R260 IonicContact OD2-NH1 2.81Å; D44-R260 PolarHBondContact OD2-NH1 2.72Å; D44-R264 PolarHBondContact O-NH2 2.66Å |
| 45 | F | 90.9 | Very high | 78.7 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.009 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -100.9 | 1.4 | -178.8 | -47 | -67.1 | 0 | 0 | 0 | 113.3 | D41 I42 Q43 L258 V259 R260 Y262 P270 E371 F373 L414 | D41-F45 WeakPolarHBondContact O-CE2 3.38Å; I42-F45 WeakPolarHBondContact O-CA 3.33Å; I42-F45 PolarHBondContact O-N 3.1Å; Q43-F45 PolarHBondContact O-N 3.37Å; F45-L258 HydrophobicContact CD1-CD1 4.32Å; F45-L258 HydrophobicContact CD2-CD1 4.35Å; F45-L258 HydrophobicContact CE1-CB 3.96Å; F45-L258 HydrophobicContact CE1-CD1 4Å; F45-L258 HydrophobicContact CE2-CD1 4.06Å; F45-L258 HydrophobicContact CZ-CB 4.42Å; F45-L258 HydrophobicContact CZ-CD1 3.9Å; F45-V259 WeakPolarHBondContact CD1-O 3.48Å; F45-R260 HydrophobicContact CE1-CB 4.35Å; F45-R260 HydrophobicContact CE1-CG 3.64Å; F45-R260 HydrophobicContact CZ-CG 3.9Å; F45-Y262 PolarHBondContact O-OH 3.07Å; F45-P270 HydrophobicContact CB-CB 4.2Å; F45-P270 HydrophobicContact CB-CG 4.45Å; F45-P270 HydrophobicContact CD1-CB 3.79Å; F45-P270 HydrophobicContact CG-CB 4.26Å; F45-E371 HydrophobicContact CE1-CG 4.25Å; F45-E371 HydrophobicContact CE2-CG 4.44Å; F45-E371 HydrophobicContact CZ-CB 4.38Å; F45-E371 HydrophobicContact CZ-CG 3.59Å; F45-F373 HydrophobicContact CE2-CZ 4.39Å; F45-L414 HydrophobicContact CB-CD1 3.99Å; F45-L414 HydrophobicContact CB-CD2 4.36Å |
| 46 | L | 88.3 | Confident | 77.1 | Confident | 31 Ų | 31 | 79 Ų | 79 | 16% | 0.162 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -74.3 | 147.6 | 173.6 | -68.5 | 175.2 | 0 | 0 | 0 | 110.3 | I42 Q43 R264 L411 L414 Y450 | I42-L46 HydrophobicContact CD1-CD2 4.35Å; I42-L46 HydrophobicContact CG1-CG 4.46Å; I42-L46 PolarHBondContact O-N 3.29Å; Q43-L46 PolarHBondContact O-N 2.83Å; L46-R264 PolarHBondContact O-NE 3.33Å; L46-R264 VanDerWaalsContact O-NE 3.09Å; L46-L411 HydrophobicContact CD2-CD2 3.92Å; L46-L414 HydrophobicContact CD2-CD2 3.89Å; L46-Y450 HydrophobicContact CB-CE2 4.23Å; L46-Y450 HydrophobicContact CD2-CD2 4.26Å |
| 47 | P | 81.1 | Confident | 75.4 | Confident | 8 Ų | 8 | 78 Ų | 78 | 5% | 0.052 | 40% | 0.404 | C | S | . | . | trans | -61.7 | 174.6 | 172.8 | 6.6 | -5.1 | 0 | 0 | 0 | 112.2 | N407 L411 Y450 | P47-N407 HydrophobicContact CB-CB 3.88Å; P47-N407 WeakPolarHBondContact CB-OD1 3.34Å; P47-N407 HydrophobicContact CG-CB 4.05Å; P47-L411 HydrophobicContact CG-CD1 4.37Å; P47-L411 HydrophobicContact CG-CD2 3.68Å; P47-L411 HydrophobicContact CG-CG 3.67Å; P47-Y450 HydrophobicContact CG-CE1 4.07Å; P47-Y450 PolarHBondContact O-OH 3.12Å | ||
| 48 | K | 76.3 | Confident | 73.6 | Confident | 84 Ų | 84 | 82.3 Ų | 82.3 | 37% | 0.365 | 42% | 0.417 | S | S | . | . | trans | -63.2 | 140.9 | 174.8 | -80.7 | -179.8 | -178.9 | -173.3 | 0 | 110.6 | I50 R264 N265 Y450 | K48-I50 PolarHBondContact O-N 2.88Å; K48-R264 HydrophobicContact CD-CB 4.13Å; K48-R264 HydrophobicContact CG-CB 3.72Å; K48-R264 HydrophobicContact CG-CG 4.42Å; K48-N265 WeakPolarHBondContact CD-OD1 3.48Å; K48-N265 WeakPolarHBondContact CE-OD1 3.28Å; K48-N265 PolarHBondContact NZ-ND2 2.94Å; K48-N265 PolarHBondContact NZ-OD1 3.27Å; K48-Y450 PolarHBondContact O-OH 3.24Å | ||
| 49 | P | 69.2 | Low | 71.9 | Confident | 91 Ų | 91 | 90.5 Ų | 90.5 | 59% | 0.591 | 46% | 0.455 | S | S | * | . | trans | -52.2 | 134 | 171.5 | -25.8 | 34.1 | 0 | 0 | 0 | 110.7 | E51 Y450 L454 | P49-E51 PolarHBondContact O-N 3.21Å; P49-E51 VanDerWaalsContact O-N 3.15Å; P49-Y450 VanDerWaalsContact CA-OH 3.3Å; P49-Y450 WeakPolarHBondContact CA-OH 3.29Å; P49-L454 HydrophobicContact CB-CD2 3.68Å | ||
| 50 | I | 64.5 | Low | 71.2 | Confident | 21 Ų | 21 | 90 Ų | 90 | 11% | 0.108 | 45% | 0.453 | C | S | . | . | trans | -70.5 | 110.6 | 170.9 | -54.7 | 173.3 | 0 | 0 | 0 | 106 | K48 R52 D166 E170 Y450 V451 L454 | K48-I50 PolarHBondContact O-N 2.88Å; I50-R52 PolarHBondContact O-N 2.99Å; I50-R52 VanDerWaalsContact O-N 3.1Å; I50-D166 HydrophobicContact CG2-CB 3.92Å; I50-E170 HydrophobicContact CD1-CG 4.04Å; I50-E170 WeakPolarHBondContact CD1-OE1 3.31Å; I50-E170 WeakPolarHBondContact CG1-OE1 3.19Å; I50-Y450 HydrophobicContact CD1-CE1 4.47Å; I50-Y450 HydrophobicContact CG1-CE1 4.33Å; I50-V451 HydrophobicContact CD1-CG2 4.26Å; I50-L454 HydrophobicContact CB-CD1 3.99Å; I50-L454 HydrophobicContact CD1-CD1 3.84Å; I50-L454 HydrophobicContact CG1-CD1 3.8Å | ||
| 51 | E | 62 | Low | 71 | Confident | 163 Ų | 163 | 84.9 Ų | 84.9 | 76% | 0.762 | 44% | 0.439 | S | S | * | . | trans | -61.5 | 115.7 | 174 | -72.7 | -172.8 | -178.6 | 0 | 0 | 108.9 | P49 K53 | P49-E51 PolarHBondContact O-N 3.21Å; P49-E51 VanDerWaalsContact O-N 3.15Å; E51-K53 PolarHBondContact O-N 3.45Å | ||
| 52 | R | 57.9 | Low | 71.1 | Confident | 128 Ų | 128 | 86.5 Ų | 86.5 | 48% | 0.483 | 45% | 0.446 | S | S | . | . | trans | -73.5 | 114 | 170 | -82.7 | -170.5 | 177.6 | 171.2 | 7.9 | 108.4 | I50 | I50-R52 PolarHBondContact O-N 2.99Å; I50-R52 VanDerWaalsContact O-N 3.1Å | ||
| 53 | K | 60.1 | Low | 71.1 | Confident | 110 Ų | 110 | 91.1 Ų | 91.1 | 48% | 0.478 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 141.7 | 162 | -76.2 | -168.4 | 176.6 | -174.4 | 0 | 109.8 | E51 Q55 T94 T95 | E51-K53 PolarHBondContact O-N 3.45Å; K53-Q55 PolarHBondContact O-N 3.24Å; K53-T94 HydrophobicContact CD-CG2 4.41Å; K53-T95 PolarHBondContact NZ-O 2.99Å |
| 54 | Q | 56.2 | Low | 71.3 | Confident | 193 Ų | 193 | 86.8 Ų | 86.8 | 90% | 0.902 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -53 | 131.1 | 170.9 | -80.8 | 178.9 | -13.2 | 0 | 0 | 109.2 | A56 | Q54-A56 PolarHBondContact O-N 3.27Š|
| 55 | Q | 57.5 | Low | 71.6 | Confident | 164 Ų | 164 | 86.7 Ų | 86.7 | 77% | 0.766 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 137.6 | 173 | -72.4 | -178.2 | -20.8 | 0 | 0 | 108.7 | K53 G57 | K53-Q55 PolarHBondContact O-N 3.24Å; Q55-G57 PolarHBondContact O-N 3.25Å |
| 56 | A | 58.5 | Low | 71.7 | Confident | 54 Ų | 54 | 92.9 Ų | 92.9 | 45% | 0.446 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 136.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q54 | Q54-A56 PolarHBondContact O-N 3.27Š|
| 57 | G | 54.4 | Low | 72 | Confident | 54 Ų | 54 | 91.5 Ų | 91.5 | 56% | 0.557 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 165.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q55 E59 G60 S61 | Q55-G57 PolarHBondContact O-N 3.25Å; G57-E59 PolarHBondContact O-N 3.2Å; G57-E59 VanDerWaalsContact O-N 3.13Å; G57-G60 PolarHBondContact O-N 3.01Å; G57-S61 PolarHBondContact O-N 3.22Å |
| 58 | Q | 53.1 | Low | 72.6 | Confident | 185 Ų | 185 | 91.1 Ų | 91.1 | 86% | 0.864 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -54.3 | -38.9 | -173.5 | -161.5 | 176.1 | 4.3 | 0 | 0 | 113.2 | S61 M62 | Q58-S61 WeakPolarHBondContact O-CB 3.41Å; Q58-S61 PolarHBondContact O-N 2.75Å; Q58-M62 PolarHBondContact O-N 2.77Å |
| 59 | E | 52.7 | Low | 73.5 | Confident | 173 Ų | 173 | 89.1 Ų | 89.1 | 81% | 0.808 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.6 | -46.6 | 176.1 | -169.2 | 169.5 | -164.1 | 0 | 0 | 112.4 | G57 S61 M62 E63 | G57-E59 PolarHBondContact O-N 3.2Å; G57-E59 VanDerWaalsContact O-N 3.13Å; E59-S61 VanDerWaalsContact C-N 3.27Å; E59-S61 PolarHBondContact O-N 2.74Å; E59-M62 PolarHBondContact O-N 2.94Å; E59-M62 VanDerWaalsContact O-N 3.14Å; E59-E63 PolarHBondContact O-N 3.33Å |
| 60 | G | 72.8 | Confident | 74.7 | Confident | 24 Ų | 24 | 89 Ų | 89 | 25% | 0.247 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.3 | -33.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G57 E63 N64 | G57-G60 PolarHBondContact O-N 3.01Å; G60-E63 PolarHBondContact O-N 2.89Å; G60-N64 VanDerWaalsContact O-CB 3.3Å; G60-N64 WeakPolarHBondContact O-CB 3.4Å; G60-N64 PolarHBondContact O-N 3.3Å; G60-N64 PolarHBondContact O-ND2 3.42Å; G60-N64 PolarHBondContact O-OD1 2.93Å |
| 61 | S | 81.8 | Confident | 76.2 | Confident | 64 Ų | 64 | 88 Ų | 88 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 173.8 | -170.3 | 0 | 0 | 0 | 0 | 112.3 | G57 Q58 E59 N64 L65 | G57-S61 PolarHBondContact O-N 3.22Å; Q58-S61 WeakPolarHBondContact O-CB 3.41Å; Q58-S61 PolarHBondContact O-N 2.75Å; E59-S61 VanDerWaalsContact C-N 3.27Å; E59-S61 PolarHBondContact O-N 2.74Å; S61-N64 PolarHBondContact O-N 3.11Å; S61-L65 WeakPolarHBondContact O-CB 3.28Å; S61-L65 PolarHBondContact O-N 3.07Å |
| 62 | M | 88.1 | Confident | 77.8 | Confident | 79 Ų | 79 | 80.8 Ų | 80.8 | 39% | 0.389 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 177.7 | -172.7 | 63.1 | 66.9 | 0 | 0 | 112.2 | I12 Q58 E59 L65 K66 | I12-M62 HydrophobicContact CD1-CE 3.99Å; Q58-M62 PolarHBondContact O-N 2.77Å; E59-M62 PolarHBondContact O-N 2.94Å; E59-M62 VanDerWaalsContact O-N 3.14Å; M62-L65 PolarHBondContact O-N 3.15Å; M62-L65 HydrophobicContact SD-CD2 4.41Å; M62-K66 WeakPolarHBondContact O-CG 3.45Å; M62-K66 PolarHBondContact O-N 3.2Å |
| 63 | E | 91 | Very high | 79.4 | Confident | 96 Ų | 96 | 80 Ų | 80 | 45% | 0.449 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 174.1 | -176.9 | 164.3 | -156.2 | 0 | 0 | 111.4 | E59 G60 L65 K66 T67 N138 | E59-E63 PolarHBondContact O-N 3.33Å; G60-E63 PolarHBondContact O-N 2.89Å; E63-L65 PolarHBondContact O-N 3.44Å; E63-K66 PolarHBondContact O-N 3.35Å; E63-K66 VanDerWaalsContact O-N 3.1Å; E63-T67 WeakPolarHBondContact O-CB 3.27Å; E63-T67 PolarHBondContact O-N 3.49Å; E63-T67 PolarHBondContact O-OG1 3.05Å; E63-T67 VanDerWaalsContact O-OG1 3.11Å; E63-N138 PolarHBondContact OE1-ND2 3.15Å |
| 64 | N | 92.3 | Very high | 80.9 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.5 | -40.3 | 175.3 | -71.3 | -8.9 | 0 | 0 | 0 | 111.9 | G60 S61 T67 A68 L90 F93 | G60-N64 VanDerWaalsContact O-CB 3.3Å; G60-N64 WeakPolarHBondContact O-CB 3.4Å; G60-N64 PolarHBondContact O-N 3.3Å; G60-N64 PolarHBondContact O-ND2 3.42Å; G60-N64 PolarHBondContact O-OD1 2.93Å; S61-N64 PolarHBondContact O-N 3.11Å; N64-T67 PolarHBondContact O-N 3.41Å; N64-A68 VanDerWaalsContact O-CB 3.28Å; N64-A68 WeakPolarHBondContact O-CB 3.47Å; N64-A68 PolarHBondContact O-N 2.66Å; N64-L90 HydrophobicContact CB-CD2 4.05Å; N64-F93 HydrophobicContact CB-CB 3.85Å; N64-F93 HydrophobicContact CB-CD1 4.07Å; N64-F93 HydrophobicContact CB-CD2 3.89Å; N64-F93 HydrophobicContact CB-CE2 4.47Å; N64-F93 HydrophobicContact CB-CG 3.67Å; N64-F93 VanDerWaalsContact CG-CD1 3.4Å; N64-F93 WeakPolarHBondContact OD1-CD1 3.43Å; N64-F93 WeakPolarHBondContact OD1-CE1 3.34Å |
| 65 | L | 94.2 | Very high | 82.4 | Confident | 63 Ų | 63 | 69.3 Ų | 69.3 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 175.5 | 178.5 | 61.9 | 0 | 0 | 0 | 111.9 | S61 M62 E63 T67 A68 V69 F87 L90 | S61-L65 WeakPolarHBondContact O-CB 3.28Å; S61-L65 PolarHBondContact O-N 3.07Å; M62-L65 PolarHBondContact O-N 3.15Å; M62-L65 HydrophobicContact SD-CD2 4.41Å; E63-L65 PolarHBondContact O-N 3.44Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-T67 PolarHBondContact O-N 3.17Å; L65-A68 PolarHBondContact O-N 3.44Å; L65-V69 HydrophobicContact CD1-CG2 4.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.35Å; L65-V69 PolarHBondContact O-N 3.14Å; L65-F87 HydrophobicContact CD1-CE1 3.69Å; L65-F87 HydrophobicContact CD1-CZ 3.95Å; L65-L90 HydrophobicContact CD1-CB 4Å |
| 66 | K | 93.8 | Very high | 84 | Confident | 133 Ų | 133 | 62.3 Ų | 62.3 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.6 | -46.8 | 177.1 | -73.2 | 174.5 | -178.6 | 175 | 0 | 111.1 | M62 E63 A68 V69 Q70 | M62-K66 WeakPolarHBondContact O-CG 3.45Å; M62-K66 PolarHBondContact O-N 3.2Å; E63-K66 PolarHBondContact O-N 3.35Å; E63-K66 VanDerWaalsContact O-N 3.1Å; K66-A68 VanDerWaalsContact C-N 3.35Å; K66-A68 PolarHBondContact O-N 3.26Å; K66-V69 PolarHBondContact O-N 2.88Å; K66-Q70 WeakPolarHBondContact O-CG 3.38Å; K66-Q70 PolarHBondContact O-N 3.29Å |
| 67 | T | 93.9 | Very high | 85.4 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 177.6 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | E63 N64 L65 Q70 L71 F93 F135 N138 | E63-T67 WeakPolarHBondContact O-CB 3.27Å; E63-T67 PolarHBondContact O-N 3.49Å; E63-T67 PolarHBondContact O-OG1 3.05Å; E63-T67 VanDerWaalsContact O-OG1 3.11Å; N64-T67 PolarHBondContact O-N 3.41Å; L65-T67 VanDerWaalsContact C-N 3.33Å; L65-T67 PolarHBondContact O-N 3.17Å; T67-Q70 PolarHBondContact O-N 3.01Å; T67-L71 WeakPolarHBondContact O-CB 3.49Å; T67-L71 PolarHBondContact O-N 2.73Å; T67-F93 HydrophobicContact CG2-CE2 3.73Å; T67-F93 HydrophobicContact CG2-CZ 3.97Å; T67-F135 HydrophobicContact CG2-CD1 3.53Å; T67-F135 HydrophobicContact CG2-CD2 4.28Å; T67-F135 HydrophobicContact CG2-CE1 3.25Å; T67-F135 HydrophobicContact CG2-CE2 4.04Å; T67-F135 HydrophobicContact CG2-CG 4.05Å; T67-F135 HydrophobicContact CG2-CZ 3.54Å; T67-N138 HydrophobicContact CG2-CB 4.43Å; T67-N138 WeakPolarHBondContact OG1-CB 3.42Å |
| 68 | A | 95.1 | Very high | 87 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67 | -36.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N64 L65 K66 L71 F72 F87 L90 V106 | N64-A68 VanDerWaalsContact O-CB 3.28Å; N64-A68 WeakPolarHBondContact O-CB 3.47Å; N64-A68 PolarHBondContact O-N 2.66Å; L65-A68 PolarHBondContact O-N 3.44Å; K66-A68 VanDerWaalsContact C-N 3.35Å; K66-A68 PolarHBondContact O-N 3.26Å; A68-L71 WeakPolarHBondContact O-CB 3.41Å; A68-L71 PolarHBondContact O-N 2.81Å; A68-F72 PolarHBondContact O-N 2.84Å; A68-F87 HydrophobicContact CB-CE2 4.29Å; A68-F87 HydrophobicContact CB-CZ 4.3Å; A68-L90 HydrophobicContact CB-CD1 3.7Å; A68-V106 HydrophobicContact CB-CG1 3.99Å |
| 69 | V | 95.3 | Very high | 88.7 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | L65 K66 F72 H73 F87 | L65-V69 HydrophobicContact CD1-CG2 4.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.35Å; L65-V69 PolarHBondContact O-N 3.14Å; K66-V69 PolarHBondContact O-N 2.88Å; V69-F72 WeakPolarHBondContact O-CB 3.38Å; V69-F72 PolarHBondContact O-N 3.23Å; V69-H73 PolarHBondContact O-CD2 3.29Å; V69-H73 PolarHBondContact O-N 2.9Å; V69-F87 HydrophobicContact CG2-CD1 3.82Å; V69-F87 HydrophobicContact CG2-CD2 4.28Å; V69-F87 HydrophobicContact CG2-CE1 3.8Å; V69-F87 HydrophobicContact CG2-CE2 4.25Å; V69-F87 HydrophobicContact CG2-CG 4.05Å; V69-F87 HydrophobicContact CG2-CZ 4.01Å |
| 70 | Q | 93.7 | Very high | 90.2 | Very high | 88 Ų | 88 | 61.5 Ų | 61.5 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 173.3 | -72.5 | 178.9 | -3 | 0 | 0 | 111.7 | K66 T67 F72 H73 F74 N138 | K66-Q70 WeakPolarHBondContact O-CG 3.38Å; K66-Q70 PolarHBondContact O-N 3.29Å; T67-Q70 PolarHBondContact O-N 3.01Å; Q70-F72 VanDerWaalsContact C-N 3.32Å; Q70-F72 PolarHBondContact O-N 3.29Å; Q70-H73 PolarHBondContact O-N 2.96Å; Q70-F74 PolarHBondContact O-N 3.48Å; Q70-N138 PolarHBondContact OE1-O 2.87Å |
| 71 | L | 95 | Very high | 91 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.3 | -46.3 | 171.7 | 170.1 | 64 | 0 | 0 | 0 | 111 | T67 A68 H73 F74 F75 V106 F108 W131 F135 P140 | T67-L71 WeakPolarHBondContact O-CB 3.49Å; T67-L71 PolarHBondContact O-N 2.73Å; A68-L71 WeakPolarHBondContact O-CB 3.41Å; A68-L71 PolarHBondContact O-N 2.81Å; L71-H73 PolarHBondContact O-N 2.94Å; L71-F74 PolarHBondContact O-N 3.15Å; L71-F75 WeakPolarHBondContact O-CB 3.42Å; L71-F75 PolarHBondContact O-N 3.26Å; L71-V106 HydrophobicContact CD2-CB 3.88Å; L71-V106 HydrophobicContact CD2-CG1 4.11Å; L71-V106 HydrophobicContact CD2-CG2 4.06Å; L71-F108 HydrophobicContact CD2-CE1 3.86Å; L71-F108 HydrophobicContact CG-CE1 4.36Å; L71-W131 HydrophobicContact CD1-CD2 3.77Å; L71-W131 HydrophobicContact CD1-CE3 4.45Å; L71-W131 HydrophobicContact CD1-CG 3.8Å; L71-W131 HydrophobicContact CD1-CZ2 4.29Å; L71-W131 HydrophobicContact CD2-CB 3.81Å; L71-W131 HydrophobicContact CD2-CD2 3.84Å; L71-W131 HydrophobicContact CD2-CE3 3.97Å; L71-W131 HydrophobicContact CD2-CG 3.8Å; L71-W131 HydrophobicContact CG-CD2 4.48Å; L71-W131 HydrophobicContact CG-CG 4.38Å; L71-F135 HydrophobicContact CB-CE1 4.31Å; L71-F135 HydrophobicContact CB-CZ 4.27Å; L71-F135 HydrophobicContact CD2-CZ 4.23Å; L71-P140 HydrophobicContact CB-CG 4.15Å; L71-P140 HydrophobicContact CD1-CB 4.24Å; L71-P140 HydrophobicContact CD1-CG 3.59Å; L71-P140 HydrophobicContact CG-CG 4.5Å |
| 72 | F | 95.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 63.7 Ų | 63.7 | 6% | 0.057 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58 | -45.7 | 175.5 | 162.5 | -106.4 | 0 | 0 | 0 | 112.1 | A68 V69 Q70 F74 F75 S76 F87 L110 | A68-F72 PolarHBondContact O-N 2.84Å; V69-F72 WeakPolarHBondContact O-CB 3.38Å; V69-F72 PolarHBondContact O-N 3.23Å; Q70-F72 VanDerWaalsContact C-N 3.32Å; Q70-F72 PolarHBondContact O-N 3.29Å; F72-F74 VanDerWaalsContact C-N 3.32Å; F72-F74 PolarHBondContact O-N 3.25Å; F72-F75 PolarHBondContact O-N 3.11Å; F72-S76 WeakPolarHBondContact O-CB 3.41Å; F72-S76 PolarHBondContact O-N 3.39Å; F72-S76 PolarHBondContact O-OG 3.24Å; F72-F87 HydrophobicContact CB-CD2 3.81Å; F72-F87 HydrophobicContact CD1-CB 3.83Å; F72-F87 HydrophobicContact CD1-CD2 4.48Å; F72-F87 HydrophobicContact CE1-CB 4.13Å; F72-F87 HydrophobicContact CG-CB 4.18Å; F72-F87 HydrophobicContact CG-CD2 4.12Å; F72-L110 HydrophobicContact CD2-CD1 4.05Å; F72-L110 HydrophobicContact CD2-CD2 3.46Å; F72-L110 VanDerWaalsContact CD2-CD2 3.46Å; F72-L110 HydrophobicContact CD2-CG 4.41Å; F72-L110 HydrophobicContact CE2-CD1 3.96Å; F72-L110 HydrophobicContact CE2-CD2 3.69Å; F72-L110 HydrophobicContact CE2-CG 4.44Å; F72-L110 HydrophobicContact CG-CD2 4.18Å |
| 73 | H | 93.5 | Very high | 91.6 | Very high | 110 Ų | 110 | 66.5 Ų | 66.5 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -34.3 | 178.4 | -72.9 | -58.3 | 0 | 0 | 0 | 113.5 | V69 Q70 L71 S76 | V69-H73 PolarHBondContact O-CD2 3.29Å; V69-H73 PolarHBondContact O-N 2.9Å; Q70-H73 PolarHBondContact O-N 2.96Å; L71-H73 PolarHBondContact O-N 2.94Å; H73-S76 PolarHBondContact O-OG 3.26Å |
| 74 | F | 90.4 | Very high | 91.6 | Very high | 74 Ų | 74 | 62.8 Ų | 62.8 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.9 | -48.6 | 172.8 | 175.2 | -96.4 | 0 | 0 | 0 | 111 | Q70 L71 F72 Y78 P140 | Q70-F74 PolarHBondContact O-N 3.48Å; L71-F74 PolarHBondContact O-N 3.15Å; F72-F74 VanDerWaalsContact C-N 3.32Å; F72-F74 PolarHBondContact O-N 3.25Å; F74-Y78 HydrophobicContact CE1-CE2 4.1Å; F74-Y78 HydrophobicContact CZ-CE2 4.37Å; F74-P140 HydrophobicContact CB-CG 4.1Å; F74-P140 HydrophobicContact CD1-CB 3.98Å; F74-P140 HydrophobicContact CD1-CG 3.98Å; F74-P140 HydrophobicContact CE1-CB 4.23Å; F74-P140 HydrophobicContact CG-CB 4.36Å; F74-P140 HydrophobicContact CG-CG 4.08Å |
| 75 | F | 88.3 | Confident | 91.7 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.1 | -32.8 | -173.5 | 171.6 | -100.7 | 0 | 0 | 0 | 113.7 | L71 F72 K77 Y78 L79 F108 S146 C148 F196 | L71-F75 WeakPolarHBondContact O-CB 3.42Å; L71-F75 PolarHBondContact O-N 3.26Å; F72-F75 PolarHBondContact O-N 3.11Å; F75-K77 PolarHBondContact O-N 3.48Å; F75-Y78 WeakPolarHBondContact O-CD2 3.39Å; F75-Y78 PolarHBondContact O-N 2.85Å; F75-L79 HydrophobicContact CD1-CD1 4.42Å; F75-L79 HydrophobicContact CD1-CG 4.39Å; F75-L79 HydrophobicContact CE1-CD1 4.01Å; F75-L79 HydrophobicContact CE1-CD2 3.6Å; F75-L79 HydrophobicContact CE1-CG 3.83Å; F75-L79 HydrophobicContact CZ-CD2 3.78Å; F75-L79 HydrophobicContact CZ-CG 4.37Å; F75-F108 HydrophobicContact CD1-CZ 4.38Å; F75-S146 WeakPolarHBondContact CE2-OG 3.42Å; F75-S146 WeakPolarHBondContact CZ-OG 3.44Å; F75-C148 WeakPolarHBondContact CE1-SG 3.32Å; F75-C148 WeakPolarHBondContact CZ-SG 3.15Å; F75-F196 HydrophobicContact CE2-CB 4.44Å; F75-F196 AromaticContact CE2-CD1 3.42Å; F75-F196 HydrophobicContact CE2-CD1 3.42Å; F75-F196 VanDerWaalsContact CE2-CD1 3.42Å; F75-F196 HydrophobicContact CE2-CD2 4.26Å; F75-F196 AromaticContact CE2-CE1 3.61Å; F75-F196 HydrophobicContact CE2-CE1 3.61Å; F75-F196 HydrophobicContact CE2-CE2 4.42Å; F75-F196 AromaticContact CE2-CG 3.78Å; F75-F196 HydrophobicContact CE2-CG 3.78Å; F75-F196 HydrophobicContact CE2-CZ 4.1Å; F75-F196 HydrophobicContact CZ-CB 3.83Å; F75-F196 AromaticContact CZ-CD1 3.59Å; F75-F196 HydrophobicContact CZ-CD1 3.59Å; F75-F196 HydrophobicContact CZ-CD2 4.38Å; F75-F196 HydrophobicContact CZ-CE1 4.26Å; F75-F196 AromaticContact CZ-CG 3.66Å; F75-F196 HydrophobicContact CZ-CG 3.66Å |
| 76 | S | 90.8 | Very high | 91.7 | Very high | 16 Ų | 16 | 65.2 Ų | 65.2 | 11% | 0.112 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -59.7 | -25.4 | -174.5 | 65.3 | 0 | 0 | 0 | 0 | 113 | F72 H73 Y78 L79 P82 | F72-S76 WeakPolarHBondContact O-CB 3.41Å; F72-S76 PolarHBondContact O-N 3.39Å; F72-S76 PolarHBondContact O-OG 3.24Å; H73-S76 PolarHBondContact O-OG 3.26Å; S76-Y78 PolarHBondContact O-N 2.91Å; S76-L79 WeakPolarHBondContact O-CB 3.37Å; S76-L79 PolarHBondContact O-N 3.25Å; S76-P82 VanDerWaalsContact O-CB 3.29Å; S76-P82 WeakPolarHBondContact O-CB 3.46Å; S76-P82 WeakPolarHBondContact O-CG 3.44Å |
| 77 | K | 88.4 | Confident | 91.8 | Very high | 158 Ų | 158 | 61 Ų | 61 | 69% | 0.687 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -61.1 | -23.7 | 175.5 | -59.5 | 178.6 | -175.3 | 178.5 | 0 | 113.4 | F75 | F75-K77 PolarHBondContact O-N 3.48Š|
| 78 | Y | 86.7 | Confident | 91.8 | Very high | 136 Ų | 136 | 64.4 Ų | 64.4 | 53% | 0.533 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -91.8 | -9 | 177.6 | -56.1 | -76.6 | 0 | 0 | 0 | 112.9 | F74 F75 S76 F196 | F74-Y78 HydrophobicContact CE1-CE2 4.1Å; F74-Y78 HydrophobicContact CZ-CE2 4.37Å; F75-Y78 WeakPolarHBondContact O-CD2 3.39Å; F75-Y78 PolarHBondContact O-N 2.85Å; S76-Y78 PolarHBondContact O-N 2.91Å; Y78-F196 HydrophobicContact CG-CE2 4.46Å |
| 79 | L | 88.8 | Confident | 91.7 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -77.3 | 139.5 | 175.3 | -63.3 | 178.9 | 0 | 0 | 0 | 110.2 | F75 S76 K81 P82 Y85 L110 P195 F196 | F75-L79 HydrophobicContact CD1-CD1 4.42Å; F75-L79 HydrophobicContact CD1-CG 4.39Å; F75-L79 HydrophobicContact CE1-CD1 4.01Å; F75-L79 HydrophobicContact CE1-CD2 3.6Å; F75-L79 HydrophobicContact CE1-CG 3.83Å; F75-L79 HydrophobicContact CZ-CD2 3.78Å; F75-L79 HydrophobicContact CZ-CG 4.37Å; S76-L79 WeakPolarHBondContact O-CB 3.37Å; S76-L79 PolarHBondContact O-N 3.25Å; L79-K81 PolarHBondContact O-N 3.22Å; L79-P82 VanDerWaalsContact O-CD 3.29Å; L79-P82 WeakPolarHBondContact O-CD 3.43Å; L79-P82 WeakPolarHBondContact O-CG 3.44Å; L79-Y85 HydrophobicContact CB-CD2 4.24Å; L79-Y85 HydrophobicContact CB-CE2 4Å; L79-Y85 HydrophobicContact CD1-CD1 3.85Å; L79-Y85 HydrophobicContact CD1-CD2 3.94Å; L79-Y85 HydrophobicContact CD1-CE1 4.13Å; L79-Y85 HydrophobicContact CD1-CE2 4.24Å; L79-Y85 HydrophobicContact CD1-CG 3.74Å; L79-L110 HydrophobicContact CD1-CD1 4.16Å; L79-P195 HydrophobicContact CD2-CB 4.23Å; L79-F196 HydrophobicContact CD2-CB 3.73Å |
| 80 | Y | 85 | Confident | 91.6 | Very high | 151 Ų | 151 | 67.1 Ų | 67.1 | 59% | 0.592 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -63.7 | 122 | 169.5 | 177.2 | -100 | 0 | 0 | 0 | 110.3 | Y85 | Y80-Y85 VanDerWaalsContact O-CE2 3.31Å; Y80-Y85 WeakPolarHBondContact O-CE2 3.25Å |
| 81 | K | 89.4 | Confident | 91.4 | Very high | 85 Ų | 85 | 63.8 Ų | 63.8 | 37% | 0.37 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 59 | 67.1 | -173.5 | -65.7 | -177.2 | 177.8 | 172.3 | 0 | 113.2 | L79 E83 Q84 Y85 | L79-K81 PolarHBondContact O-N 3.22Å; K81-E83 WeakPolarHBondContact CA-OE2 3.47Å; K81-E83 WeakPolarHBondContact CB-OE1 3.48Å; K81-E83 PolarHBondContact O-N 2.91Å; K81-E83 VanDerWaalsContact O-N 3.12Å; K81-Q84 HydrophobicContact CB-CG 3.9Å; K81-Q84 WeakPolarHBondContact O-CB 3.18Å; K81-Q84 PolarHBondContact O-N 2.96Å; K81-Y85 WeakPolarHBondContact O-CD2 3.45Å; K81-Y85 WeakPolarHBondContact O-CE2 3.49Å |
| 82 | P | 90.4 | Very high | 91.1 | Very high | 49 Ų | 49 | 64.2 Ų | 64.2 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -52.8 | -34.9 | -175.1 | -25.4 | 34.1 | 0 | 0 | 0 | 114.4 | S76 L79 Q84 Y85 | S76-P82 VanDerWaalsContact O-CB 3.29Å; S76-P82 WeakPolarHBondContact O-CB 3.46Å; S76-P82 WeakPolarHBondContact O-CG 3.44Å; L79-P82 VanDerWaalsContact O-CD 3.29Å; L79-P82 WeakPolarHBondContact O-CD 3.43Å; L79-P82 WeakPolarHBondContact O-CG 3.44Å; P82-Q84 PolarHBondContact O-N 3.06Å; P82-Q84 VanDerWaalsContact O-N 3.13Å; P82-Y85 PolarHBondContact O-N 3.09Å; P82-Y85 VanDerWaalsContact O-N 3.08Å |
| 83 | E | 91.3 | Very high | 91 | Very high | 137 Ų | 137 | 65.3 Ų | 65.3 | 64% | 0.64 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -63.1 | -16.8 | -179.2 | 73.4 | -71.3 | 169.2 | 0 | 0 | 113.9 | K81 Y85 | K81-E83 WeakPolarHBondContact CA-OE2 3.47Å; K81-E83 WeakPolarHBondContact CB-OE1 3.48Å; K81-E83 PolarHBondContact O-N 2.91Å; K81-E83 VanDerWaalsContact O-N 3.12Å; E83-Y85 VanDerWaalsContact C-N 3.32Å |
| 84 | Q | 92.2 | Very high | 90.8 | Very high | 19 Ų | 19 | 61 Ų | 61 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -79.9 | -12.7 | 176.8 | -63.6 | -172.7 | -16.2 | 0 | 0 | 113.1 | K81 P82 R112 Q113 | K81-Q84 HydrophobicContact CB-CG 3.9Å; K81-Q84 WeakPolarHBondContact O-CB 3.18Å; K81-Q84 PolarHBondContact O-N 2.96Å; P82-Q84 PolarHBondContact O-N 3.06Å; P82-Q84 VanDerWaalsContact O-N 3.13Å; Q84-R112 HydrophobicContact CB-CG 4.18Å; Q84-R112 CarbonylContact O-C 3.53Å; Q84-R112 VanDerWaalsContact O-CA 3.3Å; Q84-R112 WeakPolarHBondContact O-CA 3.46Å; Q84-Q113 WeakPolarHBondContact CB-O 3.37Å; Q84-Q113 PolarHBondContact O-N 3.48Å |
| 85 | Y | 94.7 | Very high | 90.8 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 140.5 | -171.9 | -60 | -98.2 | 0 | 0 | 0 | 111.7 | L79 Y80 K81 P82 E83 L110 L111 R112 V127 P195 | L79-Y85 HydrophobicContact CB-CD2 4.24Å; L79-Y85 HydrophobicContact CB-CE2 4Å; L79-Y85 HydrophobicContact CD1-CD1 3.85Å; L79-Y85 HydrophobicContact CD1-CD2 3.94Å; L79-Y85 HydrophobicContact CD1-CE1 4.13Å; L79-Y85 HydrophobicContact CD1-CE2 4.24Å; L79-Y85 HydrophobicContact CD1-CG 3.74Å; Y80-Y85 VanDerWaalsContact O-CE2 3.31Å; Y80-Y85 WeakPolarHBondContact O-CE2 3.25Å; K81-Y85 WeakPolarHBondContact O-CD2 3.45Å; K81-Y85 WeakPolarHBondContact O-CE2 3.49Å; P82-Y85 PolarHBondContact O-N 3.09Å; P82-Y85 VanDerWaalsContact O-N 3.08Å; E83-Y85 VanDerWaalsContact C-N 3.32Å; Y85-L110 HydrophobicContact CD1-CD1 4.18Å; Y85-L111 CarbonylContact C-O 3.59Å; Y85-L111 WeakPolarHBondContact CA-O 3.48Å; Y85-R112 HydrophobicContact CD1-CB 4.01Å; Y85-R112 HydrophobicContact CD1-CG 4.12Å; Y85-R112 HydrophobicContact CE1-CB 3.91Å; Y85-R112 HydrophobicContact CE1-CG 3.75Å; Y85-R112 HydrophobicContact CE2-CG 4.37Å; Y85-R112 WeakPolarHBondContact OH-CD 3.44Å; Y85-R112 PolarHBondContact OH-NE 3.48Å; Y85-V127 HydrophobicContact CD1-CG2 4.43Å; Y85-V127 HydrophobicContact CE1-CG2 4.09Å; Y85-P195 HydrophobicContact CE1-CB 4.47Å |
| 86 | R | 94.7 | Very high | 90.7 | Very high | 136 Ų | 136 | 60.5 Ų | 60.5 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.7 | 172.7 | -65.8 | 179.3 | 177.9 | 165.6 | -5 | 110.2 | Q88 L110 L111 | R86-Q88 PolarHBondContact O-N 2.75Å; R86-L110 CarbonylContact O-C 3.47Å; R86-L110 WeakPolarHBondContact O-CA 3.39Å; R86-L110 WeakPolarHBondContact O-CB 3.31Å; R86-L111 PolarHBondContact N-O 3.23Å; R86-L111 PolarHBondContact O-N 2.94Å |
| 87 | F | 95.8 | Very high | 90.1 | Very high | 45 Ų | 45 | 61.9 Ų | 61.9 | 20% | 0.197 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 125.9 | 170.7 | -170.2 | -87.6 | 0 | 0 | 0 | 109.5 | L65 A68 V69 F72 R89 L90 F108 L110 | L65-F87 HydrophobicContact CD1-CE1 3.69Å; L65-F87 HydrophobicContact CD1-CZ 3.95Å; A68-F87 HydrophobicContact CB-CE2 4.29Å; A68-F87 HydrophobicContact CB-CZ 4.3Å; V69-F87 HydrophobicContact CG2-CD1 3.82Å; V69-F87 HydrophobicContact CG2-CD2 4.28Å; V69-F87 HydrophobicContact CG2-CE1 3.8Å; V69-F87 HydrophobicContact CG2-CE2 4.25Å; V69-F87 HydrophobicContact CG2-CG 4.05Å; V69-F87 HydrophobicContact CG2-CZ 4.01Å; F72-F87 HydrophobicContact CB-CD2 3.81Å; F72-F87 HydrophobicContact CD1-CB 3.83Å; F72-F87 HydrophobicContact CD1-CD2 4.48Å; F72-F87 HydrophobicContact CE1-CB 4.13Å; F72-F87 HydrophobicContact CG-CB 4.18Å; F72-F87 HydrophobicContact CG-CD2 4.12Å; F87-R89 VanDerWaalsContact CE1-C 3.46Å; F87-R89 VanDerWaalsContact CZ-C 3.42Å; F87-L90 HydrophobicContact CZ-CB 4.3Å; F87-F108 HydrophobicContact CD2-CD2 4.31Å; F87-F108 HydrophobicContact CE2-CB 3.72Å; F87-F108 HydrophobicContact CE2-CD2 4.16Å; F87-F108 HydrophobicContact CE2-CG 4.04Å; F87-F108 HydrophobicContact CZ-CB 4.21Å; F87-L110 HydrophobicContact CB-CD2 4.38Å; F87-L110 HydrophobicContact CD2-CD2 4.14Å |
| 88 | Q | 93.7 | Very high | 88.8 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -50.1 | 178.4 | -169.5 | 173.4 | 16.1 | 0 | 0 | 110.7 | R86 K109 H126 | R86-Q88 PolarHBondContact O-N 2.75Å; Q88-K109 WeakPolarHBondContact CA-O 3.5Å; Q88-K109 HydrophobicContact CB-CB 4.5Å; Q88-K109 HydrophobicContact CB-CG 4.39Å; Q88-K109 WeakPolarHBondContact CB-O 3.4Å; Q88-K109 PolarHBondContact N-O 2.94Å; Q88-K109 VanDerWaalsContact OE1-CD 3.31Å; Q88-H126 PolarHBondContact OE1-ND1 3.03Å |
| 89 | R | 92.7 | Very high | 87.3 | Confident | 61 Ų | 61 | 61.9 Ų | 61.9 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 156.9 | 180 | 58.2 | 175.2 | -156.3 | 162.5 | 22.1 | 112.9 | F87 F108 K109 E159 | F87-R89 VanDerWaalsContact CE1-C 3.46Å; F87-R89 VanDerWaalsContact CZ-C 3.42Å; R89-F108 WeakPolarHBondContact O-CA 3.33Å; R89-F108 WeakPolarHBondContact O-CB 3.48Å; R89-K109 HydrophobicContact CG-CB 3.75Å; R89-K109 HydrophobicContact CG-CD 4.27Å; R89-K109 PolarHBondContact N-O 2.85Å; R89-K109 PolarHBondContact O-N 2.71Å; R89-E159 IonicContact CZ-OE1 3.87Å; R89-E159 IonicContact CZ-OE2 2.75Å; R89-E159 IonicContact NE-OE1 3.96Å; R89-E159 IonicContact NE-OE2 2.68Å; R89-E159 VanDerWaalsContact NH1-CD 3.33Å; R89-E159 IonicContact NH1-OE1 2.99Å; R89-E159 IonicContact NH1-OE2 2.8Å; R89-E159 PolarHBondContact NH1-OE2 3.45Å; R89-E159 IonicContact NH2-OE1 2.55Å; R89-E159 PolarHBondContact NH2-OE1 3.06Å; R89-E159 IonicContact NH2-OE2 2.72Å; R89-E159 PolarHBondContact NH2-OE2 3.06Å; R89-E159 VanDerWaalsContact NH2-OE2 3.12Å |
| 90 | L | 93 | Very high | 86.1 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 20% | 0.199 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 138.9 | 164 | -178.4 | 62.1 | 0 | 0 | 0 | 109.6 | N64 L65 A68 F87 S92 F93 V106 Q107 | N64-L90 HydrophobicContact CB-CD2 4.05Å; L65-L90 HydrophobicContact CD1-CB 4Å; A68-L90 HydrophobicContact CB-CD1 3.7Å; F87-L90 HydrophobicContact CZ-CB 4.3Å; L90-S92 WeakPolarHBondContact CD1-O 3.34Å; L90-F93 HydrophobicContact CD1-CB 4.31Å; L90-F93 HydrophobicContact CD2-CB 4.13Å; L90-V106 HydrophobicContact CD1-CG1 3.83Å; L90-Q107 WeakPolarHBondContact CD1-O 3.45Å |
| 91 | I | 89.1 | Confident | 85.3 | Confident | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.087 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -52.4 | 173.8 | -60.6 | 174 | 0 | 0 | 0 | 109.6 | Q107 K109 Y128 L162 S163 | I91-Q107 WeakPolarHBondContact CA-O 3.36Å; I91-Q107 HydrophobicContact CB-CB 3.94Å; I91-Q107 WeakPolarHBondContact CB-O 2.99Å; I91-Q107 HydrophobicContact CG2-CB 4.31Å; I91-Q107 PolarHBondContact N-O 2.94Å; I91-K109 HydrophobicContact CD1-CB 4.21Å; I91-K109 HydrophobicContact CG1-CB 4.45Å; I91-Y128 HydrophobicContact CD1-CD1 3.6Å; I91-Y128 HydrophobicContact CD1-CE1 3.97Å; I91-L162 HydrophobicContact CG2-CB 4.04Å; I91-S163 WeakPolarHBondContact O-CA 3.31Å; I91-S163 WeakPolarHBondContact O-CB 3.46Å |
| 92 | S | 89.2 | Confident | 85 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 150.3 | 177.5 | 68.9 | 0 | 0 | 0 | 0 | 110.5 | L90 Q107 | L90-S92 WeakPolarHBondContact CD1-O 3.34Å; S92-Q107 PolarHBondContact N-O 3.29Å; S92-Q107 VanDerWaalsContact N-O 3.12Å; S92-Q107 PolarHBondContact O-N 2.05Å; S92-Q107 VanDerWaalsContact OG-CB 3.32Å; S92-Q107 WeakPolarHBondContact OG-CB 3.4Å; S92-Q107 VanDerWaalsContact OG-CG 3.25Å; S92-Q107 WeakPolarHBondContact OG-CG 3Å; S92-Q107 PolarHBondContact OG-OE1 2.8Å |
| 93 | F | 92.3 | Very high | 85 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 110.4 | 174.1 | -171.3 | -71.5 | 0 | 0 | 0 | 107 | N64 T67 L90 T95 T104 V106 F135 | N64-F93 HydrophobicContact CB-CB 3.85Å; N64-F93 HydrophobicContact CB-CD1 4.07Å; N64-F93 HydrophobicContact CB-CD2 3.89Å; N64-F93 HydrophobicContact CB-CE2 4.47Å; N64-F93 HydrophobicContact CB-CG 3.67Å; N64-F93 VanDerWaalsContact CG-CD1 3.4Å; N64-F93 WeakPolarHBondContact OD1-CD1 3.43Å; N64-F93 WeakPolarHBondContact OD1-CE1 3.34Å; T67-F93 HydrophobicContact CG2-CE2 3.73Å; T67-F93 HydrophobicContact CG2-CZ 3.97Å; L90-F93 HydrophobicContact CD1-CB 4.31Å; L90-F93 HydrophobicContact CD2-CB 4.13Å; F93-T95 HydrophobicContact CE1-CG2 4.46Å; F93-T104 HydrophobicContact CD1-CG2 4.04Å; F93-T104 HydrophobicContact CE1-CG2 3.52Å; F93-T104 HydrophobicContact CE2-CG2 4.11Å; F93-T104 HydrophobicContact CZ-CG2 3.56Å; F93-V106 HydrophobicContact CD2-CB 4.48Å; F93-V106 HydrophobicContact CD2-CG1 4.01Å; F93-V106 HydrophobicContact CD2-CG2 3.7Å; F93-V106 HydrophobicContact CE2-CG2 3.76Å; F93-V106 HydrophobicContact CG-CG2 4.42Å; F93-F135 HydrophobicContact CE2-CE2 4.03Å; F93-F135 HydrophobicContact CE2-CZ 4.31Å; F93-F135 HydrophobicContact CZ-CD2 4.29Å; F93-F135 AromaticContact CZ-CE2 3.98Å; F93-F135 HydrophobicContact CZ-CE2 3.98Å |
| 94 | T | 90.1 | Very high | 85 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 131.7 | -172.4 | -48.2 | 0 | 0 | 0 | 0 | 110.6 | K53 T104 I105 P167 C168 | K53-T94 HydrophobicContact CD-CG2 4.41Å; T94-T104 CarbonylContact O-C 3.58Å; T94-T104 WeakPolarHBondContact O-CA 3.34Å; T94-I105 PolarHBondContact N-O 3.36Å; T94-I105 PolarHBondContact O-N 2.99Å; T94-P167 VanDerWaalsContact OG1-CD 3.31Å; T94-P167 WeakPolarHBondContact OG1-CD 3.31Å; T94-C168 WeakPolarHBondContact CG2-SG 3.39Å |
| 95 | T | 89.4 | Confident | 85 | Confident | 63 Ų | 63 | 53 Ų | 53 | 39% | 0.387 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 129.2 | 171.3 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | K53 F93 I102 E103 C168 | K53-T95 PolarHBondContact NZ-O 2.99Å; F93-T95 HydrophobicContact CE1-CG2 4.46Å; T95-I102 VanDerWaalsContact CB-CG2 3.49Å; T95-I102 HydrophobicContact CG2-CG2 3.68Å; T95-E103 WeakPolarHBondContact CA-O 3.07Å; T95-C168 PolarHBondContact O-SG 3.18Å |
| 96 | C | 86.8 | Confident | 85 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.034 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.3 | -179.9 | -49.7 | 0 | 0 | 0 | 0 | 109.9 | E103 C168 Y179 | C96-E103 PolarHBondContact N-O 2.92Å; C96-E103 PolarHBondContact O-N 3.12Å; C96-C168 WeakPolarHBondContact CA-SG 3.03Å; C96-C168 HydrophobicContact CB-CB 3.84Å; C96-C168 WeakPolarHBondContact CB-SG 3.34Å; C96-C168 VanDerWaalsContact SG-CA 3.53Å; C96-C168 WeakPolarHBondContact SG-CB 3.28Å; C96-C168 CovalentContact SG-SG 2.04Å; C96-C168 PolarHBondContact SG-SG 3.46Å; C96-Y179 HydrophobicContact CB-CE1 3.94Å; C96-Y179 HydrophobicContact CB-CE2 4Å; C96-Y179 VanDerWaalsContact CB-CZ 3.43Å; C96-Y179 WeakPolarHBondContact CB-OH 3.21Å |
| 97 | G | 77.7 | Confident | 84.9 | Confident | 46 Ų | 46 | 46.2 Ų | 46.2 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | trans | 94.1 | 165.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 98 | S | 61.2 | Low | 84.8 | Confident | 112 Ų | 112 | 44.1 Ų | 44.1 | 78% | 0.783 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -124.8 | -9.1 | -173.4 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 99 | Q | 55.3 | Low | 84.8 | Confident | 181 Ų | 181 | 41.1 Ų | 41.1 | 85% | 0.846 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -144 | 135.4 | -176 | -61.9 | -171.5 | -0.9 | 0 | 0 | 112.1 | ||
| 100 | G | 64.6 | Low | 84.9 | Confident | 69 Ų | 69 | 38.2 Ų | 38.2 | 71% | 0.711 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 92.7 | -147.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I102 | G100-I102 PolarHBondContact O-N 3.13Å; G100-I102 VanDerWaalsContact O-N 3.09Å |
| 101 | D | 67.7 | Low | 85 | Confident | 91 Ų | 91 | 37.5 Ų | 37.5 | 49% | 0.487 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -66.2 | 104.9 | 170.4 | -85.7 | -34.7 | 0 | 0 | 0 | 108 | E103 Y134 R141 | D101-E103 PolarHBondContact O-N 3.37Å; D101-Y134 HydrophobicContact CB-CD1 3.64Å; D101-Y134 HydrophobicContact CB-CE1 3.86Å; D101-Y134 HydrophobicContact CB-CG 4.26Å; D101-Y134 WeakPolarHBondContact O-CE1 3.34Å; D101-R141 IonicContact OD1-NH1 2.87Å; D101-R141 PolarHBondContact OD1-NH1 3.43Å; D101-R141 IonicContact OD2-CZ 3.41Å; D101-R141 IonicContact OD2-NH1 3.19Å; D101-R141 PolarHBondContact OD2-NH1 3.49Å; D101-R141 IonicContact OD2-NH2 3Å |
| 102 | I | 83 | Confident | 85.1 | Confident | 80 Ų | 80 | 38 Ų | 38 | 41% | 0.41 | 23% | 0.232 | S | C | . | . | trans | -72.9 | 113.3 | -176.8 | -59.6 | 176.2 | 0 | 0 | 0 | 108.8 | T95 G100 T104 | T95-I102 VanDerWaalsContact CB-CG2 3.49Å; T95-I102 HydrophobicContact CG2-CG2 3.68Å; G100-I102 PolarHBondContact O-N 3.13Å; G100-I102 VanDerWaalsContact O-N 3.09Å; I102-T104 PolarHBondContact O-OG1 3.21Å | ||
| 103 | E | 89.6 | Confident | 85.2 | Confident | 13 Ų | 13 | 39 Ų | 39 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 136.2 | 174.3 | -169.2 | 168.7 | 154.9 | 0 | 0 | 109.5 | T95 C96 D101 I132 Y134 L144 Y179 | T95-E103 WeakPolarHBondContact CA-O 3.07Å; C96-E103 PolarHBondContact N-O 2.92Å; C96-E103 PolarHBondContact O-N 3.12Å; D101-E103 PolarHBondContact O-N 3.37Å; E103-I132 HydrophobicContact CG-CG2 4.1Å; E103-I132 WeakPolarHBondContact OE1-CG2 3.39Å; E103-Y134 HydrophobicContact CB-CD1 4.34Å; E103-Y134 HydrophobicContact CB-CE1 3.73Å; E103-Y134 HydrophobicContact CG-CE1 4.28Å; E103-L144 HydrophobicContact CG-CD1 4.17Å; E103-Y179 HydrophobicContact CG-CD2 4.44Å; E103-Y179 HydrophobicContact CG-CE2 4.45Å; E103-Y179 WeakPolarHBondContact OE1-CD2 3.22Å |
| 104 | T | 92.3 | Very high | 84.8 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131.7 | -176.8 | -52 | 0 | 0 | 0 | 0 | 109.6 | F93 T94 I102 V106 I132 G133 F135 | F93-T104 HydrophobicContact CD1-CG2 4.04Å; F93-T104 HydrophobicContact CE1-CG2 3.52Å; F93-T104 HydrophobicContact CE2-CG2 4.11Å; F93-T104 HydrophobicContact CZ-CG2 3.56Å; T94-T104 CarbonylContact O-C 3.58Å; T94-T104 WeakPolarHBondContact O-CA 3.34Å; I102-T104 PolarHBondContact O-OG1 3.21Å; T104-V106 HydrophobicContact CG2-CG2 3.81Å; T104-I132 WeakPolarHBondContact O-CA 3.29Å; T104-G133 PolarHBondContact N-O 3.29Å; T104-G133 PolarHBondContact O-N 3.5Å; T104-G133 VanDerWaalsContact O-N 3.08Å; T104-F135 HydrophobicContact CG2-CD2 4Å; T104-F135 HydrophobicContact CG2-CE2 3.72Å |
| 105 | I | 93.1 | Very high | 84 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.9 | 172.5 | -57.8 | -179.2 | 0 | 0 | 0 | 107.6 | T94 W131 I132 P167 W171 Y179 | T94-I105 PolarHBondContact N-O 3.36Å; T94-I105 PolarHBondContact O-N 2.99Å; I105-W131 WeakPolarHBondContact CA-O 3.41Å; I105-I132 HydrophobicContact CG1-CG1 4.27Å; I105-I132 HydrophobicContact CG1-CG2 4.47Å; I105-P167 HydrophobicContact CB-CB 4.24Å; I105-P167 HydrophobicContact CD1-CB 3.95Å; I105-P167 HydrophobicContact CG2-CB 3.83Å; I105-P167 HydrophobicContact CG2-CG 4.39Å; I105-W171 HydrophobicContact CD1-CE3 4.17Å; I105-W171 HydrophobicContact CG2-CE3 3.78Å; I105-W171 HydrophobicContact CG2-CH2 4.21Å; I105-W171 HydrophobicContact CG2-CZ3 3.31Å; I105-Y179 HydrophobicContact CD1-CD1 3.89Å; I105-Y179 HydrophobicContact CD1-CG 4.02Å |
| 106 | V | 94.1 | Very high | 83 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.2 | 179.6 | -168.3 | 0 | 0 | 0 | 0 | 109.3 | A68 L71 L90 F93 T104 F108 S130 W131 F135 | A68-V106 HydrophobicContact CB-CG1 3.99Å; L71-V106 HydrophobicContact CD2-CB 3.88Å; L71-V106 HydrophobicContact CD2-CG1 4.11Å; L71-V106 HydrophobicContact CD2-CG2 4.06Å; L90-V106 HydrophobicContact CD1-CG1 3.83Å; F93-V106 HydrophobicContact CD2-CB 4.48Å; F93-V106 HydrophobicContact CD2-CG1 4.01Å; F93-V106 HydrophobicContact CD2-CG2 3.7Å; F93-V106 HydrophobicContact CE2-CG2 3.76Å; F93-V106 HydrophobicContact CG-CG2 4.42Å; T104-V106 HydrophobicContact CG2-CG2 3.81Å; V106-F108 HydrophobicContact CG1-CD1 4Å; V106-S130 CarbonylContact O-C 3.56Å; V106-S130 WeakPolarHBondContact O-CA 3.01Å; V106-W131 HydrophobicContact CG2-CE3 4.11Å; V106-W131 PolarHBondContact N-O 3.15Å; V106-W131 PolarHBondContact O-N 3.3Å; V106-F135 HydrophobicContact CG2-CE2 3.93Å; V106-F135 HydrophobicContact CG2-CZ 4.14Å |
| 107 | Q | 93 | Very high | 82 | Confident | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.023 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.3 | 170.3 | -58.3 | -178.7 | -77.1 | 0 | 0 | 110.1 | L90 I91 S92 C129 W171 Y402 | L90-Q107 WeakPolarHBondContact CD1-O 3.45Å; I91-Q107 WeakPolarHBondContact CA-O 3.36Å; I91-Q107 HydrophobicContact CB-CB 3.94Å; I91-Q107 WeakPolarHBondContact CB-O 2.99Å; I91-Q107 HydrophobicContact CG2-CB 4.31Å; I91-Q107 PolarHBondContact N-O 2.94Å; S92-Q107 PolarHBondContact N-O 3.29Å; S92-Q107 VanDerWaalsContact N-O 3.12Å; S92-Q107 PolarHBondContact O-N 2.05Å; S92-Q107 VanDerWaalsContact OG-CB 3.32Å; S92-Q107 WeakPolarHBondContact OG-CB 3.4Å; S92-Q107 VanDerWaalsContact OG-CG 3.25Å; S92-Q107 WeakPolarHBondContact OG-CG 3Å; S92-Q107 PolarHBondContact OG-OE1 2.8Å; Q107-C129 CarbonylContact C-O 3.49Å; Q107-C129 VanDerWaalsContact CA-O 3.28Å; Q107-C129 WeakPolarHBondContact CA-O 3.37Å; Q107-W171 HydrophobicContact CG-CH2 3.66Å; Q107-W171 HydrophobicContact CG-CZ3 4.39Å; Q107-Y402 PolarHBondContact NE2-OH 2.99Å |
| 108 | F | 93.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 157.7 | 178.5 | 55.4 | -89.2 | 0 | 0 | 0 | 111.8 | L71 F75 F87 R89 V106 L110 C129 | L71-F108 HydrophobicContact CD2-CE1 3.86Å; L71-F108 HydrophobicContact CG-CE1 4.36Å; F75-F108 HydrophobicContact CD1-CZ 4.38Å; F87-F108 HydrophobicContact CD2-CD2 4.31Å; F87-F108 HydrophobicContact CE2-CB 3.72Å; F87-F108 HydrophobicContact CE2-CD2 4.16Å; F87-F108 HydrophobicContact CE2-CG 4.04Å; F87-F108 HydrophobicContact CZ-CB 4.21Å; R89-F108 WeakPolarHBondContact O-CA 3.33Å; R89-F108 WeakPolarHBondContact O-CB 3.48Å; V106-F108 HydrophobicContact CG1-CD1 4Å; F108-L110 HydrophobicContact CD2-CD2 3.56Å; F108-L110 HydrophobicContact CD2-CG 3.95Å; F108-L110 HydrophobicContact CE2-CD1 4.08Å; F108-L110 HydrophobicContact CE2-CD2 3.7Å; F108-L110 HydrophobicContact CE2-CG 3.94Å; F108-C129 HydrophobicContact CD1-CB 4.45Å; F108-C129 HydrophobicContact CD2-CB 3.91Å; F108-C129 HydrophobicContact CE1-CB 4.05Å; F108-C129 HydrophobicContact CE2-CB 3.44Å; F108-C129 VanDerWaalsContact CE2-CB 3.44Å; F108-C129 HydrophobicContact CG-CB 4.39Å; F108-C129 HydrophobicContact CZ-CB 3.53Å; F108-C129 PolarHBondContact N-O 3.5Å; F108-C129 PolarHBondContact O-N 2.76Å |
| 109 | K | 93.9 | Very high | 81.4 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 134.2 | 178.2 | -171.9 | 179 | -177.4 | 177 | 0 | 109.5 | Q88 R89 I91 H126 V127 Y128 E159 | Q88-K109 WeakPolarHBondContact CA-O 3.5Å; Q88-K109 HydrophobicContact CB-CB 4.5Å; Q88-K109 HydrophobicContact CB-CG 4.39Å; Q88-K109 WeakPolarHBondContact CB-O 3.4Å; Q88-K109 PolarHBondContact N-O 2.94Å; Q88-K109 VanDerWaalsContact OE1-CD 3.31Å; R89-K109 HydrophobicContact CG-CB 3.75Å; R89-K109 HydrophobicContact CG-CD 4.27Å; R89-K109 PolarHBondContact N-O 2.85Å; R89-K109 PolarHBondContact O-N 2.71Å; I91-K109 HydrophobicContact CD1-CB 4.21Å; I91-K109 HydrophobicContact CG1-CB 4.45Å; K109-H126 VanDerWaalsContact CE-CG 3.49Å; K109-H126 WeakPolarHBondContact CE-ND1 3.39Å; K109-V127 CarbonylContact C-O 3.58Å; K109-V127 WeakPolarHBondContact CA-O 3.47Å; K109-Y128 HydrophobicContact CD-CE1 4.06Å; K109-Y128 WeakPolarHBondContact CE-OH 3.4Å; K109-Y128 HydrophobicContact CG-CD1 4.49Å; K109-Y128 HydrophobicContact CG-CE1 4.14Å; K109-Y128 PolarHBondContact NZ-OH 2.87Å; K109-E159 WeakPolarHBondContact CD-OE1 3.13Å; K109-E159 WeakPolarHBondContact CE-OE1 3.26Å; K109-E159 IonicContact NZ-OE1 3.57Å; K109-E159 PolarHBondContact NZ-OE1 3.33Å |
| 110 | L | 94.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 159.1 | 172 | -47.7 | 177 | 0 | 0 | 0 | 110.3 | F72 L79 Y85 R86 F87 F108 V127 | F72-L110 HydrophobicContact CD2-CD1 4.05Å; F72-L110 HydrophobicContact CD2-CD2 3.46Å; F72-L110 VanDerWaalsContact CD2-CD2 3.46Å; F72-L110 HydrophobicContact CD2-CG 4.41Å; F72-L110 HydrophobicContact CE2-CD1 3.96Å; F72-L110 HydrophobicContact CE2-CD2 3.69Å; F72-L110 HydrophobicContact CE2-CG 4.44Å; F72-L110 HydrophobicContact CG-CD2 4.18Å; L79-L110 HydrophobicContact CD1-CD1 4.16Å; Y85-L110 HydrophobicContact CD1-CD1 4.18Å; R86-L110 CarbonylContact O-C 3.47Å; R86-L110 WeakPolarHBondContact O-CA 3.39Å; R86-L110 WeakPolarHBondContact O-CB 3.31Å; F87-L110 HydrophobicContact CB-CD2 4.38Å; F87-L110 HydrophobicContact CD2-CD2 4.14Å; F108-L110 HydrophobicContact CD2-CD2 3.56Å; F108-L110 HydrophobicContact CD2-CG 3.95Å; F108-L110 HydrophobicContact CE2-CD1 4.08Å; F108-L110 HydrophobicContact CE2-CD2 3.7Å; F108-L110 HydrophobicContact CE2-CG 3.94Å; L110-V127 HydrophobicContact CB-CB 4.17Å; L110-V127 PolarHBondContact N-O 3.47Å; L110-V127 PolarHBondContact O-N 3.4Å |
| 111 | L | 93.5 | Very high | 81.3 | Confident | 24 Ų | 24 | 59.7 Ų | 59.7 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.9 | 167.4 | -167.6 | 68 | 0 | 0 | 0 | 108.6 | Y85 R86 E124 | Y85-L111 CarbonylContact C-O 3.59Å; Y85-L111 WeakPolarHBondContact CA-O 3.48Å; R86-L111 PolarHBondContact N-O 3.23Å; R86-L111 PolarHBondContact O-N 2.94Å; L111-E124 HydrophobicContact CD1-CB 4.03Å |
| 112 | R | 92.5 | Very high | 81.3 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.2 | 172.9 | -172.2 | -174.3 | 178.8 | -173.1 | 0.5 | 109.2 | Q84 Y85 T114 E124 L125 V127 E150 | Q84-R112 HydrophobicContact CB-CG 4.18Å; Q84-R112 CarbonylContact O-C 3.53Å; Q84-R112 VanDerWaalsContact O-CA 3.3Å; Q84-R112 WeakPolarHBondContact O-CA 3.46Å; Y85-R112 HydrophobicContact CD1-CB 4.01Å; Y85-R112 HydrophobicContact CD1-CG 4.12Å; Y85-R112 HydrophobicContact CE1-CB 3.91Å; Y85-R112 HydrophobicContact CE1-CG 3.75Å; Y85-R112 HydrophobicContact CE2-CG 4.37Å; Y85-R112 WeakPolarHBondContact OH-CD 3.44Å; Y85-R112 PolarHBondContact OH-NE 3.48Å; R112-T114 HydrophobicContact CG-CG2 4.09Å; R112-E124 WeakPolarHBondContact O-CA 3.44Å; R112-L125 HydrophobicContact CB-CB 4.44Å; R112-L125 PolarHBondContact N-O 3.28Å; R112-L125 PolarHBondContact O-N 3.29Å; R112-V127 HydrophobicContact CB-CG2 3.86Å; R112-E150 VanDerWaalsContact CD-OE1 3.22Å; R112-E150 WeakPolarHBondContact CD-OE1 3.29Å; R112-E150 IonicContact CZ-OE1 3.59Å; R112-E150 IonicContact NE-OE1 3.8Å; R112-E150 IonicContact NH1-OE1 2.65Å; R112-E150 PolarHBondContact NH1-OE1 3.42Å |
| 113 | Q | 90.4 | Very high | 81.2 | Confident | 29 Ų | 29 | 63.7 Ų | 63.7 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 109.8 | 174 | -64.5 | -169.5 | -28 | 0 | 0 | 109.6 | Q84 K122 E124 | Q84-Q113 WeakPolarHBondContact CB-O 3.37Å; Q84-Q113 PolarHBondContact O-N 3.48Å; Q113-K122 HydrophobicContact CB-CB 4.36Å; Q113-K122 HydrophobicContact CB-CD 4.03Å; Q113-E124 HydrophobicContact CG-CG 4.33Å; Q113-E124 PolarHBondContact NE2-OE1 3.17Å |
| 114 | T | 84 | Confident | 81.1 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 141.3 | 176.5 | 54.3 | 0 | 0 | 0 | 0 | 111 | R112 S116 K122 K123 | R112-T114 HydrophobicContact CG-CG2 4.09Å; T114-S116 PolarHBondContact O-N 2.8Å; T114-K122 WeakPolarHBondContact O-CA 3.2Å; T114-K123 PolarHBondContact N-O 2.87Å; T114-K123 PolarHBondContact O-N 3.09Å; T114-K123 PolarHBondContact OG1-O 3.1Å |
| 115 | P | 74 | Confident | 80.9 | Confident | 99 Ų | 99 | 69.8 Ų | 69.8 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 124.8 | 170.2 | -15.2 | 27.6 | 0 | 0 | 0 | 109.3 | ||
| 116 | S | 68.7 | Low | 80.9 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 28% | 0.28 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 132.9 | 171.2 | 174.3 | 0 | 0 | 0 | 0 | 109 | T114 L118 S119 M121 | T114-S116 PolarHBondContact O-N 2.8Å; S116-L118 PolarHBondContact O-N 3.3Å; S116-L118 PolarHBondContact OG-N 2.94Å; S116-S119 WeakPolarHBondContact CB-O 2.93Å; S116-S119 PolarHBondContact OG-N 3.15Å; S116-S119 PolarHBondContact OG-OG 3.12Å; S116-M121 WeakPolarHBondContact CB-O 3.26Å |
| 117 | K | 64.8 | Low | 80.8 | Confident | 215 Ų | 215 | 71.2 Ų | 71.2 | 94% | 0.935 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -74.3 | -16.7 | 173.7 | -69.8 | -171.2 | 178.1 | -176.3 | 0 | 112.8 | ||
| 118 | L | 62.1 | Low | 80.8 | Confident | 172 Ų | 172 | 71.2 Ų | 71.2 | 90% | 0.901 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -113.3 | -7.8 | -170 | -84.6 | 133.8 | 0 | 0 | 0 | 113.5 | S116 | S116-L118 PolarHBondContact O-N 3.3Å; S116-L118 PolarHBondContact OG-N 2.94Å |
| 119 | S | 63.7 | Low | 80.9 | Confident | 60 Ų | 60 | 71.3 Ų | 71.3 | 42% | 0.42 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -153.7 | 157.4 | 177 | 67.2 | 0 | 0 | 0 | 0 | 110.7 | S116 M121 | S116-S119 WeakPolarHBondContact CB-O 2.93Å; S116-S119 PolarHBondContact OG-N 3.15Å; S116-S119 PolarHBondContact OG-OG 3.12Å; S119-M121 PolarHBondContact O-N 3.36Å; S119-M121 PolarHBondContact OG-N 3.4Å; S119-M121 PolarHBondContact OG-O 3.37Å |
| 120 | E | 60.8 | Low | 80.9 | Confident | 206 Ų | 206 | 71 Ų | 71 | 96% | 0.963 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -66 | -11.5 | 169 | -68.3 | -174.7 | 161.2 | 0 | 0 | 112.5 | ||
| 121 | M | 57.1 | Low | 80.9 | Confident | 153 Ų | 153 | 71 Ų | 71 | 75% | 0.754 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -77 | 127.5 | 179.2 | -65.9 | -157 | 172.9 | 0 | 0 | 111.3 | S116 S119 K123 | S116-M121 WeakPolarHBondContact CB-O 3.26Å; S119-M121 PolarHBondContact O-N 3.36Å; S119-M121 PolarHBondContact OG-N 3.4Å; S119-M121 PolarHBondContact OG-O 3.37Å; M121-K123 PolarHBondContact O-N 3.45Å |
| 122 | K | 68.7 | Low | 80.9 | Confident | 126 Ų | 126 | 69.9 Ų | 69.9 | 55% | 0.548 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 129.3 | 173.8 | -62.7 | -175.9 | -175.3 | -179.5 | 0 | 109.1 | Q113 T114 E124 | Q113-K122 HydrophobicContact CB-CB 4.36Å; Q113-K122 HydrophobicContact CB-CD 4.03Å; T114-K122 WeakPolarHBondContact O-CA 3.2Å; K122-E124 PolarHBondContact O-N 3.23Å |
| 123 | K | 80.9 | Confident | 80.9 | Confident | 130 Ų | 130 | 68.6 Ų | 68.6 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 118.2 | 170.6 | -177.6 | -178.1 | -178.8 | -177.9 | 0 | 107.8 | T114 M121 | T114-K123 PolarHBondContact N-O 2.87Å; T114-K123 PolarHBondContact O-N 3.09Å; T114-K123 PolarHBondContact OG1-O 3.1Å; M121-K123 PolarHBondContact O-N 3.45Å |
| 124 | E | 86.3 | Confident | 81 | Confident | 105 Ų | 105 | 69.5 Ų | 69.5 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.8 | 177 | -57.7 | -158.5 | 143.8 | 0 | 0 | 110.6 | L111 R112 Q113 K122 | L111-E124 HydrophobicContact CD1-CB 4.03Å; R112-E124 WeakPolarHBondContact O-CA 3.44Å; Q113-E124 HydrophobicContact CG-CG 4.33Å; Q113-E124 PolarHBondContact NE2-OE1 3.17Å; K122-E124 PolarHBondContact O-N 3.23Å |
| 125 | L | 89.5 | Confident | 81.3 | Confident | 41 Ų | 41 | 70 Ų | 70 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 139.5 | 175.7 | -69.8 | 169.3 | 0 | 0 | 0 | 109 | R112 | R112-L125 HydrophobicContact CB-CB 4.44Å; R112-L125 PolarHBondContact N-O 3.28Å; R112-L125 PolarHBondContact O-N 3.29Å |
| 126 | H | 92.2 | Very high | 81.9 | Confident | 30 Ų | 30 | 72.8 Ų | 72.8 | 14% | 0.139 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 138.4 | 172.8 | -62.3 | -62.5 | 0 | 0 | 0 | 109.6 | Q88 K109 Y128 S151 | Q88-H126 PolarHBondContact OE1-ND1 3.03Å; K109-H126 VanDerWaalsContact CE-CG 3.49Å; K109-H126 WeakPolarHBondContact CE-ND1 3.39Å; H126-Y128 HydrophobicContact CB-CE2 3.99Å; H126-S151 PolarHBondContact N-O 3.06Å; H126-S151 PolarHBondContact O-N 2.97Å |
| 127 | V | 93.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.5 | 177 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | Y85 K109 L110 R112 C148 Y149 E150 P195 | Y85-V127 HydrophobicContact CD1-CG2 4.43Å; Y85-V127 HydrophobicContact CE1-CG2 4.09Å; K109-V127 CarbonylContact C-O 3.58Å; K109-V127 WeakPolarHBondContact CA-O 3.47Å; L110-V127 HydrophobicContact CB-CB 4.17Å; L110-V127 PolarHBondContact N-O 3.47Å; L110-V127 PolarHBondContact O-N 3.4Å; R112-V127 HydrophobicContact CB-CG2 3.86Å; V127-C148 HydrophobicContact CG1-CB 3.78Å; V127-Y149 WeakPolarHBondContact CA-O 3.45Å; V127-E150 HydrophobicContact CG2-CG 3.76Å; V127-P195 HydrophobicContact CG1-CG 4.45Å |
| 128 | Y | 93 | Very high | 83.5 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 2% | 0.02 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129 | 177.9 | -66 | -96.5 | 0 | 0 | 0 | 108.2 | I91 K109 H126 C148 Y149 V154 E159 | I91-Y128 HydrophobicContact CD1-CD1 3.6Å; I91-Y128 HydrophobicContact CD1-CE1 3.97Å; K109-Y128 HydrophobicContact CD-CE1 4.06Å; K109-Y128 WeakPolarHBondContact CE-OH 3.4Å; K109-Y128 HydrophobicContact CG-CD1 4.49Å; K109-Y128 HydrophobicContact CG-CE1 4.14Å; K109-Y128 PolarHBondContact NZ-OH 2.87Å; H126-Y128 HydrophobicContact CB-CE2 3.99Å; Y128-C148 CarbonylContact O-C 3.56Å; Y128-C148 VanDerWaalsContact O-CA 3.24Å; Y128-C148 WeakPolarHBondContact O-CA 3.37Å; Y128-Y149 VanDerWaalsContact CB-CZ 3.47Å; Y128-Y149 HydrophobicContact CD2-CE2 4.03Å; Y128-Y149 HydrophobicContact CG-CE2 4.04Å; Y128-Y149 PolarHBondContact N-O 2.91Å; Y128-Y149 PolarHBondContact O-N 3.4Å; Y128-V154 HydrophobicContact CE2-CG2 3.93Å; Y128-V154 WeakPolarHBondContact OH-CB 3.3Å; Y128-V154 VanDerWaalsContact OH-CG2 3.32Å; Y128-V154 WeakPolarHBondContact OH-CG2 3.5Å; Y128-E159 HydrophobicContact CE1-CG 4.43Å; Y128-E159 PolarHBondContact OH-OE1 3.21Å |
| 129 | C | 93.9 | Very high | 84.7 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.3 | -177.8 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | Q107 F108 A147 C148 | Q107-C129 CarbonylContact C-O 3.49Å; Q107-C129 VanDerWaalsContact CA-O 3.28Å; Q107-C129 WeakPolarHBondContact CA-O 3.37Å; F108-C129 HydrophobicContact CD1-CB 4.45Å; F108-C129 HydrophobicContact CD2-CB 3.91Å; F108-C129 HydrophobicContact CE1-CB 4.05Å; F108-C129 HydrophobicContact CE2-CB 3.44Å; F108-C129 VanDerWaalsContact CE2-CB 3.44Å; F108-C129 HydrophobicContact CG-CB 4.39Å; F108-C129 HydrophobicContact CZ-CB 3.53Å; F108-C129 PolarHBondContact N-O 3.5Å; F108-C129 PolarHBondContact O-N 2.76Å; C129-A147 CarbonylContact C-O 3.41Å; C129-A147 WeakPolarHBondContact CA-O 3.19Å; C129-C148 HydrophobicContact CB-CB 4.21Å; C129-C148 WeakPolarHBondContact CB-SG 3.12Å; C129-C148 WeakPolarHBondContact SG-CB 3.28Å; C129-C148 CovalentContact SG-SG 2.04Å; C129-C148 PolarHBondContact SG-SG 3.3Å |
| 130 | S | 94.1 | Very high | 85.9 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137 | 165.9 | -80.8 | 0 | 0 | 0 | 0 | 108.6 | V106 S146 A147 W171 | V106-S130 CarbonylContact O-C 3.56Å; V106-S130 WeakPolarHBondContact O-CA 3.01Å; S130-S146 CarbonylContact O-C 3.57Å; S130-S146 VanDerWaalsContact O-CA 3.24Å; S130-S146 WeakPolarHBondContact O-CA 3.36Å; S130-S146 PolarHBondContact O-OG 3.4Å; S130-A147 PolarHBondContact N-O 3.24Å; S130-A147 PolarHBondContact O-N 3.44Å; S130-W171 WeakPolarHBondContact OG-CH2 3.43Å |
| 131 | W | 94.5 | Very high | 87.3 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.8 | 173.6 | 179.2 | 92.9 | 0 | 0 | 0 | 109.7 | L71 I105 V106 F135 P140 T143 | L71-W131 HydrophobicContact CD1-CD2 3.77Å; L71-W131 HydrophobicContact CD1-CE3 4.45Å; L71-W131 HydrophobicContact CD1-CG 3.8Å; L71-W131 HydrophobicContact CD1-CZ2 4.29Å; L71-W131 HydrophobicContact CD2-CB 3.81Å; L71-W131 HydrophobicContact CD2-CD2 3.84Å; L71-W131 HydrophobicContact CD2-CE3 3.97Å; L71-W131 HydrophobicContact CD2-CG 3.8Å; L71-W131 HydrophobicContact CG-CD2 4.48Å; L71-W131 HydrophobicContact CG-CG 4.38Å; I105-W131 WeakPolarHBondContact CA-O 3.41Å; V106-W131 HydrophobicContact CG2-CE3 4.11Å; V106-W131 PolarHBondContact N-O 3.15Å; V106-W131 PolarHBondContact O-N 3.3Å; W131-F135 HydrophobicContact CE3-CE2 4.26Å; W131-F135 HydrophobicContact CE3-CZ 4.37Å; W131-F135 HydrophobicContact CH2-CD2 4.33Å; W131-F135 AromaticContact CH2-CE2 4Å; W131-F135 HydrophobicContact CH2-CE2 4Å; W131-F135 HydrophobicContact CH2-CZ 4.16Å; W131-F135 HydrophobicContact CZ3-CD2 4.1Å; W131-F135 AromaticContact CZ3-CE2 3.46Å; W131-F135 HydrophobicContact CZ3-CE2 3.46Å; W131-F135 VanDerWaalsContact CZ3-CE2 3.46Å; W131-F135 AromaticContact CZ3-CZ 3.81Å; W131-F135 HydrophobicContact CZ3-CZ 3.81Å; W131-P140 HydrophobicContact CZ2-CB 4.08Å; W131-T143 PolarHBondContact NE1-OG1 3.1Å |
| 132 | I | 94 | Very high | 88.9 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.8 | 178.5 | -56.1 | 176.1 | 0 | 0 | 0 | 107.7 | E103 T104 I105 L144 G145 L181 P200 | E103-I132 HydrophobicContact CG-CG2 4.1Å; E103-I132 WeakPolarHBondContact OE1-CG2 3.39Å; T104-I132 WeakPolarHBondContact O-CA 3.29Å; I105-I132 HydrophobicContact CG1-CG1 4.27Å; I105-I132 HydrophobicContact CG1-CG2 4.47Å; I132-L144 HydrophobicContact CG2-CB 4.19Å; I132-L144 HydrophobicContact CG2-CD1 4.28Å; I132-L144 PolarHBondContact O-N 3.38Å; I132-G145 PolarHBondContact N-O 2.84Å; I132-G145 PolarHBondContact O-N 2.94Å; I132-G145 VanDerWaalsContact O-N 3.17Å; I132-L181 HydrophobicContact CD1-CD2 3.62Å; I132-L181 HydrophobicContact CD1-CG 4.08Å; I132-L181 HydrophobicContact CG1-CD2 3.75Å; I132-P200 HydrophobicContact CD1-CG 4.11Å |
| 133 | G | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.1 | -158.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T104 K142 | T104-G133 PolarHBondContact N-O 3.29Å; T104-G133 PolarHBondContact O-N 3.5Å; T104-G133 VanDerWaalsContact O-N 3.08Å; G133-K142 CarbonylContact C-O 3.52Å; G133-K142 VanDerWaalsContact CA-O 3.24Å; G133-K142 WeakPolarHBondContact CA-O 3.49Å |
| 134 | Y | 92.2 | Very high | 90.4 | Very high | 47 Ų | 47 | 52 Ų | 52 | 18% | 0.184 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 138.9 | -175.6 | -53.6 | -77.8 | 0 | 0 | 0 | 111.5 | D101 E103 R141 K142 L144 | D101-Y134 HydrophobicContact CB-CD1 3.64Å; D101-Y134 HydrophobicContact CB-CE1 3.86Å; D101-Y134 HydrophobicContact CB-CG 4.26Å; D101-Y134 WeakPolarHBondContact O-CE1 3.34Å; E103-Y134 HydrophobicContact CB-CD1 4.34Å; E103-Y134 HydrophobicContact CB-CE1 3.73Å; E103-Y134 HydrophobicContact CG-CE1 4.28Å; Y134-R141 WeakPolarHBondContact O-CB 2.96Å; Y134-R141 PolarHBondContact O-N 2.89Å; Y134-K142 HydrophobicContact CD2-CB 4.11Å; Y134-K142 HydrophobicContact CD2-CD 4.21Å; Y134-K142 HydrophobicContact CD2-CG 4.39Å; Y134-K142 HydrophobicContact CE2-CD 4.35Å; Y134-K142 PolarHBondContact N-O 3.01Å; Y134-K142 PolarHBondContact O-N 2.9Å; Y134-L144 HydrophobicContact CE2-CD1 3.73Å; Y134-L144 HydrophobicContact CE2-CD2 4.01Å; Y134-L144 HydrophobicContact CE2-CG 3.98Å |
| 135 | F | 89.5 | Confident | 90.7 | Very high | 34 Ų | 34 | 47 Ų | 47 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 151.7 | 170.5 | -73.4 | -81.2 | 0 | 0 | 0 | 111.4 | T67 L71 F93 T104 V106 W131 S139 P140 | T67-F135 HydrophobicContact CG2-CD1 3.53Å; T67-F135 HydrophobicContact CG2-CD2 4.28Å; T67-F135 HydrophobicContact CG2-CE1 3.25Å; T67-F135 HydrophobicContact CG2-CE2 4.04Å; T67-F135 HydrophobicContact CG2-CG 4.05Å; T67-F135 HydrophobicContact CG2-CZ 3.54Å; L71-F135 HydrophobicContact CB-CE1 4.31Å; L71-F135 HydrophobicContact CB-CZ 4.27Å; L71-F135 HydrophobicContact CD2-CZ 4.23Å; F93-F135 HydrophobicContact CE2-CE2 4.03Å; F93-F135 HydrophobicContact CE2-CZ 4.31Å; F93-F135 HydrophobicContact CZ-CD2 4.29Å; F93-F135 AromaticContact CZ-CE2 3.98Å; F93-F135 HydrophobicContact CZ-CE2 3.98Å; T104-F135 HydrophobicContact CG2-CD2 4Å; T104-F135 HydrophobicContact CG2-CE2 3.72Å; V106-F135 HydrophobicContact CG2-CE2 3.93Å; V106-F135 HydrophobicContact CG2-CZ 4.14Å; W131-F135 HydrophobicContact CE3-CE2 4.26Å; W131-F135 HydrophobicContact CE3-CZ 4.37Å; W131-F135 HydrophobicContact CH2-CD2 4.33Å; W131-F135 AromaticContact CH2-CE2 4Å; W131-F135 HydrophobicContact CH2-CE2 4Å; W131-F135 HydrophobicContact CH2-CZ 4.16Å; W131-F135 HydrophobicContact CZ3-CD2 4.1Å; W131-F135 AromaticContact CZ3-CE2 3.46Å; W131-F135 HydrophobicContact CZ3-CE2 3.46Å; W131-F135 VanDerWaalsContact CZ3-CE2 3.46Å; W131-F135 AromaticContact CZ3-CZ 3.81Å; W131-F135 HydrophobicContact CZ3-CZ 3.81Å; F135-S139 CarbonylContact C-O 3.44Å; F135-S139 WeakPolarHBondContact CA-O 3.18Å; F135-P140 HydrophobicContact CE1-CG 3.99Å |
| 136 | R | 86.9 | Confident | 90.9 | Very high | 158 Ų | 158 | 45 Ų | 45 | 60% | 0.596 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 118.2 | 165.2 | -173.3 | 179.4 | -176.4 | -177.3 | 2.1 | 108 | N138 S139 R141 | R136-N138 VanDerWaalsContact C-N 3.34Å; R136-N138 PolarHBondContact O-N 2.68Å; R136-S139 PolarHBondContact N-O 2.9Å; R136-S139 PolarHBondContact O-N 3.07Å; R136-S139 VanDerWaalsContact O-N 3.13Å; R136-R141 HydrophobicContact CB-CB 3.89Å; R136-R141 HydrophobicContact CB-CG 4.32Å |
| 137 | H | 84.4 | Confident | 91 | Very high | 164 Ų | 164 | 43.7 Ų | 43.7 | 76% | 0.759 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 52.1 | -174.4 | -47.8 | 114.7 | 0 | 0 | 0 | 112.2 | S139 | H137-S139 PolarHBondContact O-N 3.33Š|
| 138 | N | 83.6 | Confident | 91.1 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 33% | 0.326 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 3.2 | -179.1 | -61.9 | -14.9 | 0 | 0 | 0 | 116.1 | E63 T67 Q70 R136 | E63-N138 PolarHBondContact OE1-ND2 3.15Å; T67-N138 HydrophobicContact CG2-CB 4.43Å; T67-N138 WeakPolarHBondContact OG1-CB 3.42Å; Q70-N138 PolarHBondContact OE1-O 2.87Å; R136-N138 VanDerWaalsContact C-N 3.34Å; R136-N138 PolarHBondContact O-N 2.68Å |
| 139 | S | 86.4 | Confident | 91 | Very high | 63 Ų | 63 | 44 Ų | 44 | 44% | 0.441 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 140.8 | 173.6 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | F135 R136 H137 R141 | F135-S139 CarbonylContact C-O 3.44Å; F135-S139 WeakPolarHBondContact CA-O 3.18Å; R136-S139 PolarHBondContact N-O 2.9Å; R136-S139 PolarHBondContact O-N 3.07Å; R136-S139 VanDerWaalsContact O-N 3.13Å; H137-S139 PolarHBondContact O-N 3.33Å; S139-R141 PolarHBondContact O-N 3.26Å; S139-R141 VanDerWaalsContact O-N 3.15Å |
| 140 | P | 89.3 | Confident | 90.9 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 119.2 | 173.7 | -22.8 | 33.1 | 0 | 0 | 0 | 110.5 | L71 F74 W131 F135 | L71-P140 HydrophobicContact CB-CG 4.15Å; L71-P140 HydrophobicContact CD1-CB 4.24Å; L71-P140 HydrophobicContact CD1-CG 3.59Å; L71-P140 HydrophobicContact CG-CG 4.5Å; F74-P140 HydrophobicContact CB-CG 4.1Å; F74-P140 HydrophobicContact CD1-CB 3.98Å; F74-P140 HydrophobicContact CD1-CG 3.98Å; F74-P140 HydrophobicContact CE1-CB 4.23Å; F74-P140 HydrophobicContact CG-CB 4.36Å; F74-P140 HydrophobicContact CG-CG 4.08Å; W131-P140 HydrophobicContact CZ2-CB 4.08Å; F135-P140 HydrophobicContact CE1-CG 3.99Å |
| 141 | R | 90.1 | Very high | 90.6 | Very high | 135 Ų | 135 | 45.9 Ų | 45.9 | 51% | 0.509 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -46.2 | 177.1 | 178 | -173.8 | 167.6 | -160.8 | -10.2 | 111.3 | D101 Y134 R136 S139 | D101-R141 IonicContact OD1-NH1 2.87Å; D101-R141 PolarHBondContact OD1-NH1 3.43Å; D101-R141 IonicContact OD2-CZ 3.41Å; D101-R141 IonicContact OD2-NH1 3.19Å; D101-R141 PolarHBondContact OD2-NH1 3.49Å; D101-R141 IonicContact OD2-NH2 3Å; Y134-R141 WeakPolarHBondContact O-CB 2.96Å; Y134-R141 PolarHBondContact O-N 2.89Å; R136-R141 HydrophobicContact CB-CB 3.89Å; R136-R141 HydrophobicContact CB-CG 4.32Å; S139-R141 PolarHBondContact O-N 3.26Å; S139-R141 VanDerWaalsContact O-N 3.15Å |
| 142 | K | 90.4 | Very high | 90 | Very high | 120 Ų | 120 | 54.5 Ų | 54.5 | 52% | 0.522 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 124.7 | -177.9 | 176.9 | -178.3 | -177.5 | -171.3 | 0 | 109.1 | G133 Y134 L144 | G133-K142 CarbonylContact C-O 3.52Å; G133-K142 VanDerWaalsContact CA-O 3.24Å; G133-K142 WeakPolarHBondContact CA-O 3.49Å; Y134-K142 HydrophobicContact CD2-CB 4.11Å; Y134-K142 HydrophobicContact CD2-CD 4.21Å; Y134-K142 HydrophobicContact CD2-CG 4.39Å; Y134-K142 HydrophobicContact CE2-CD 4.35Å; Y134-K142 PolarHBondContact N-O 3.01Å; Y134-K142 PolarHBondContact O-N 2.9Å; K142-L144 HydrophobicContact CD-CD2 4.31Å |
| 143 | T | 90.7 | Very high | 89.2 | Confident | 53 Ų | 53 | 61.9 Ų | 61.9 | 33% | 0.325 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 128 | 170.2 | -59.4 | 0 | 0 | 0 | 0 | 108.6 | W131 | W131-T143 PolarHBondContact NE1-OG1 3.1Å |
| 144 | L | 91.4 | Very high | 88.4 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -37.8 | 170.1 | -64.5 | 179 | 0 | 0 | 0 | 111.2 | E103 I132 Y134 K142 P200 | E103-L144 HydrophobicContact CG-CD1 4.17Å; I132-L144 HydrophobicContact CG2-CB 4.19Å; I132-L144 HydrophobicContact CG2-CD1 4.28Å; I132-L144 PolarHBondContact O-N 3.38Å; Y134-L144 HydrophobicContact CE2-CD1 3.73Å; Y134-L144 HydrophobicContact CE2-CD2 4.01Å; Y134-L144 HydrophobicContact CE2-CG 3.98Å; K142-L144 HydrophobicContact CD-CD2 4.31Å; L144-P200 WeakPolarHBondContact O-CA 3.21Å |
| 145 | G | 93 | Very high | 87.7 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 160.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I132 L198 | I132-G145 PolarHBondContact N-O 2.84Å; I132-G145 PolarHBondContact O-N 2.94Å; I132-G145 VanDerWaalsContact O-N 3.17Å; G145-L198 CarbonylContact C-O 3.59Å; G145-L198 WeakPolarHBondContact CA-O 3.26Å |
| 146 | S | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 144 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | F75 S130 L198 | F75-S146 WeakPolarHBondContact CE2-OG 3.42Å; F75-S146 WeakPolarHBondContact CZ-OG 3.44Å; S130-S146 CarbonylContact O-C 3.57Å; S130-S146 VanDerWaalsContact O-CA 3.24Å; S130-S146 WeakPolarHBondContact O-CA 3.36Å; S130-S146 PolarHBondContact O-OG 3.4Å; S146-L198 PolarHBondContact N-O 2.94Å; S146-L198 CarbonylContact O-C 3.58Å; S146-L198 WeakPolarHBondContact O-CA 3.3Å; S146-L198 PolarHBondContact O-N 2.66Å |
| 147 | A | 94 | Very high | 86.9 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 144 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | C129 S130 L181 F194 F196 Y197 | C129-A147 CarbonylContact C-O 3.41Å; C129-A147 WeakPolarHBondContact CA-O 3.19Å; S130-A147 PolarHBondContact N-O 3.24Å; S130-A147 PolarHBondContact O-N 3.44Å; A147-L181 HydrophobicContact CB-CD1 3.72Å; A147-F194 HydrophobicContact CB-CD1 4.4Å; A147-F194 HydrophobicContact CB-CE1 4.36Å; A147-F196 CarbonylContact C-O 3.52Å; A147-F196 WeakPolarHBondContact CA-O 3.16Å; A147-Y197 HydrophobicContact CB-CD2 3.74Å; A147-Y197 HydrophobicContact CB-CE2 4.31Å |
| 148 | C | 94 | Very high | 86.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134.1 | 167.6 | -66.4 | 0 | 0 | 0 | 0 | 109.2 | F75 V127 Y128 C129 F194 P195 F196 | F75-C148 WeakPolarHBondContact CE1-SG 3.32Å; F75-C148 WeakPolarHBondContact CZ-SG 3.15Å; V127-C148 HydrophobicContact CG1-CB 3.78Å; Y128-C148 CarbonylContact O-C 3.56Å; Y128-C148 VanDerWaalsContact O-CA 3.24Å; Y128-C148 WeakPolarHBondContact O-CA 3.37Å; C129-C148 HydrophobicContact CB-CB 4.21Å; C129-C148 WeakPolarHBondContact CB-SG 3.12Å; C129-C148 WeakPolarHBondContact SG-CB 3.28Å; C129-C148 CovalentContact SG-SG 2.04Å; C129-C148 PolarHBondContact SG-SG 3.3Å; C148-F194 CarbonylContact O-C 3.59Å; C148-F194 WeakPolarHBondContact O-CA 3.14Å; C148-F194 WeakPolarHBondContact O-CB 3.07Å; C148-F194 WeakPolarHBondContact O-CD1 3.41Å; C148-P195 VanDerWaalsContact O-CD 3.28Å; C148-P195 WeakPolarHBondContact O-CD 3.35Å; C148-F196 HydrophobicContact CB-CB 4.4Å; C148-F196 PolarHBondContact N-O 3.43Å |
| 149 | Y | 92.8 | Very high | 86.4 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 4% | 0.043 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.6 | 175.8 | 55.1 | -91.4 | 0 | 0 | 0 | 111.4 | V127 Y128 P184 M187 F194 | V127-Y149 WeakPolarHBondContact CA-O 3.45Å; Y128-Y149 VanDerWaalsContact CB-CZ 3.47Å; Y128-Y149 HydrophobicContact CD2-CE2 4.03Å; Y128-Y149 HydrophobicContact CG-CE2 4.04Å; Y128-Y149 PolarHBondContact N-O 2.91Å; Y128-Y149 PolarHBondContact O-N 3.4Å; Y149-P184 VanDerWaalsContact OH-CD 3.27Å; Y149-P184 WeakPolarHBondContact OH-CD 3.05Å; Y149-P184 WeakPolarHBondContact OH-CG 3.37Å; Y149-M187 HydrophobicContact CD2-CB 3.78Å; Y149-M187 HydrophobicContact CD2-CG 3.59Å; Y149-M187 HydrophobicContact CD2-SD 3.84Å; Y149-M187 HydrophobicContact CE2-CB 3.96Å; Y149-M187 HydrophobicContact CE2-CG 3.58Å; Y149-M187 HydrophobicContact CE2-SD 4.29Å; Y149-M187 HydrophobicContact CG-CB 4.22Å; Y149-M187 HydrophobicContact CG-CG 4.5Å; Y149-F194 HydrophobicContact CD1-CE1 4.11Å; Y149-F194 HydrophobicContact CD1-CZ 4.37Å; Y149-F194 HydrophobicContact CG-CE1 4.38Å; Y149-F194 HydrophobicContact CG-CZ 4.36Å |
| 150 | E | 91.4 | Very high | 86.2 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 134.7 | 174.5 | -83.4 | 171.4 | -171.3 | 0 | 0 | 111.1 | R112 V127 H193 P195 | R112-E150 VanDerWaalsContact CD-OE1 3.22Å; R112-E150 WeakPolarHBondContact CD-OE1 3.29Å; R112-E150 IonicContact CZ-OE1 3.59Å; R112-E150 IonicContact NE-OE1 3.8Å; R112-E150 IonicContact NH1-OE1 2.65Å; R112-E150 PolarHBondContact NH1-OE1 3.42Å; V127-E150 HydrophobicContact CG2-CG 3.76Å; E150-H193 PolarHBondContact N-O 2.84Å; E150-H193 IonicContact OE1-CE1 3.71Å; E150-H193 IonicContact OE1-ND1 3.85Å; E150-H193 PolarHBondContact OE1-ND1 3.24Å; E150-H193 IonicContact OE2-CE1 3.9Å; E150-H193 IonicContact OE2-CG 3.67Å; E150-H193 IonicContact OE2-ND1 3.12Å; E150-H193 PolarHBondContact OE2-ND1 3Å; E150-P195 HydrophobicContact CG-CG 4.04Å |
| 151 | S | 86.9 | Confident | 85.6 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 155.6 | -179.4 | 176.3 | 0 | 0 | 0 | 0 | 111 | H126 M187 | H126-S151 PolarHBondContact N-O 3.06Å; H126-S151 PolarHBondContact O-N 2.97Å; S151-M187 WeakPolarHBondContact OG-CE 3.37Å |
| 152 | K | 81.7 | Confident | 85 | Confident | 183 Ų | 183 | 45.6 Ų | 45.6 | 80% | 0.796 | 22% | 0.216 | S | C | * | . | P | Polyproline II helix | trans | -66.1 | 173.2 | 165.6 | -64.2 | -177.4 | -177.2 | 176.8 | 0 | 109.5 | V154 | K152-V154 PolarHBondContact O-N 3.18Å; K152-V154 VanDerWaalsContact O-N 3.08Å |
| 153 | K | 78 | Confident | 84.5 | Confident | 156 Ų | 156 | 42.3 Ų | 42.3 | 68% | 0.678 | 21% | 0.208 | S | C | * | . | P | Polyproline II helix | trans | -59.4 | 118.4 | 173.3 | -172.3 | 175.9 | 177.2 | -173.8 | 0 | 109 | ||
| 154 | V | 76.9 | Confident | 83.9 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 9% | 0.085 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -88.6 | 137.6 | 173.2 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | Y128 K152 Y158 E159 Q398 | Y128-V154 HydrophobicContact CE2-CG2 3.93Å; Y128-V154 WeakPolarHBondContact OH-CB 3.3Å; Y128-V154 VanDerWaalsContact OH-CG2 3.32Å; Y128-V154 WeakPolarHBondContact OH-CG2 3.5Å; K152-V154 PolarHBondContact O-N 3.18Å; K152-V154 VanDerWaalsContact O-N 3.08Å; V154-Y158 HydrophobicContact CG1-CD2 4.37Å; V154-E159 HydrophobicContact CB-CG 4.25Å; V154-E159 HydrophobicContact CG1-CG 4.1Å; V154-Q398 HydrophobicContact CG1-CB 4.31Å |
| 155 | L | 75.9 | Confident | 83.3 | Confident | 67 Ų | 67 | 42.5 Ų | 42.5 | 35% | 0.351 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -59 | 143 | 176.1 | -70.7 | 171.9 | 0 | 0 | 0 | 110.9 | K157 Y158 E159 | L155-K157 VanDerWaalsContact C-N 3.27Å; L155-K157 HydrophobicContact CB-CG 4.2Å; L155-K157 PolarHBondContact O-N 3.46Å; L155-Y158 HydrophobicContact CB-CD2 3.81Å; L155-Y158 HydrophobicContact CB-CE2 4.23Å; L155-Y158 HydrophobicContact CD1-CD2 4.33Å; L155-Y158 HydrophobicContact CD1-CE2 3.89Å; L155-Y158 PolarHBondContact O-N 3.23Å; L155-Y158 VanDerWaalsContact O-N 3.09Å; L155-E159 PolarHBondContact O-N 3.38Å |
| 156 | H | 80.5 | Confident | 82.8 | Confident | 77 Ų | 77 | 43.3 Ų | 43.3 | 36% | 0.356 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.7 | -39.8 | -177.4 | -173.2 | 63 | 0 | 0 | 0 | 112.2 | P17 Y158 E159 V160 | P17-H156 HydrophobicContact CG-CB 4.37Å; H156-Y158 VanDerWaalsContact C-N 3.27Å; H156-Y158 PolarHBondContact O-N 3.12Å; H156-E159 IonicContact ND1-OE2 3.52Å; H156-E159 WeakPolarHBondContact O-CB 3.48Å; H156-E159 PolarHBondContact O-N 3.15Å; H156-V160 WeakPolarHBondContact NE2-CG2 3.36Å; H156-V160 WeakPolarHBondContact O-CG2 3.35Å; H156-V160 PolarHBondContact O-N 2.97Å |
| 157 | K | 79.2 | Confident | 82.5 | Confident | 74 Ų | 74 | 43.3 Ų | 43.3 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -53.2 | -40.6 | 176 | 71.1 | 175 | -175.4 | 170.2 | 0 | 113.8 | E28 L155 M161 | E28-K157 IonicContact OE2-NZ 3.33Å; L155-K157 VanDerWaalsContact C-N 3.27Å; L155-K157 HydrophobicContact CB-CG 4.2Å; L155-K157 PolarHBondContact O-N 3.46Å; K157-M161 PolarHBondContact O-N 2.95Å |
| 158 | Y | 78.4 | Confident | 82.1 | Confident | 20 Ų | 20 | 43.9 Ų | 43.9 | 8% | 0.078 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -76.9 | -38 | -178.7 | -61.8 | -45.1 | 0 | 0 | 0 | 111.8 | V154 L155 H156 V160 M161 L162 Q398 F399 Y448 | V154-Y158 HydrophobicContact CG1-CD2 4.37Å; L155-Y158 HydrophobicContact CB-CD2 3.81Å; L155-Y158 HydrophobicContact CB-CE2 4.23Å; L155-Y158 HydrophobicContact CD1-CD2 4.33Å; L155-Y158 HydrophobicContact CD1-CE2 3.89Å; L155-Y158 PolarHBondContact O-N 3.23Å; L155-Y158 VanDerWaalsContact O-N 3.09Å; H156-Y158 VanDerWaalsContact C-N 3.27Å; H156-Y158 PolarHBondContact O-N 3.12Å; Y158-V160 VanDerWaalsContact C-N 3.33Å; Y158-V160 PolarHBondContact O-N 3.19Å; Y158-M161 WeakPolarHBondContact O-CB 3.39Å; Y158-M161 PolarHBondContact O-N 2.88Å; Y158-M161 VanDerWaalsContact O-N 3.17Å; Y158-L162 WeakPolarHBondContact O-CG 3.37Å; Y158-L162 PolarHBondContact O-N 2.75Å; Y158-Q398 HydrophobicContact CD2-CB 3.68Å; Y158-Q398 HydrophobicContact CE2-CB 3.74Å; Y158-Q398 HydrophobicContact CE2-CG 4.48Å; Y158-F399 HydrophobicContact CD1-CB 3.41Å; Y158-F399 VanDerWaalsContact CD1-CB 3.41Å; Y158-F399 HydrophobicContact CD1-CD2 4.22Å; Y158-F399 HydrophobicContact CD1-CG 4.1Å; Y158-F399 HydrophobicContact CD2-CB 4.38Å; Y158-F399 HydrophobicContact CE1-CB 3.55Å; Y158-F399 HydrophobicContact CE1-CG 4.44Å; Y158-F399 HydrophobicContact CG-CB 3.82Å; Y158-Y448 HydrophobicContact CE1-CD2 4.49Å; Y158-Y448 HydrophobicContact CE1-CE2 4.24Å |
| 159 | E | 80.2 | Confident | 81.6 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 171.7 | -84.8 | -172.1 | 154 | 0 | 0 | 112.9 | R89 K109 Y128 V154 L155 H156 M161 L162 S163 | R89-E159 IonicContact CZ-OE1 3.87Å; R89-E159 IonicContact CZ-OE2 2.75Å; R89-E159 IonicContact NE-OE1 3.96Å; R89-E159 IonicContact NE-OE2 2.68Å; R89-E159 VanDerWaalsContact NH1-CD 3.33Å; R89-E159 IonicContact NH1-OE1 2.99Å; R89-E159 IonicContact NH1-OE2 2.8Å; R89-E159 PolarHBondContact NH1-OE2 3.45Å; R89-E159 IonicContact NH2-OE1 2.55Å; R89-E159 PolarHBondContact NH2-OE1 3.06Å; R89-E159 IonicContact NH2-OE2 2.72Å; R89-E159 PolarHBondContact NH2-OE2 3.06Å; R89-E159 VanDerWaalsContact NH2-OE2 3.12Å; K109-E159 WeakPolarHBondContact CD-OE1 3.13Å; K109-E159 WeakPolarHBondContact CE-OE1 3.26Å; K109-E159 IonicContact NZ-OE1 3.57Å; K109-E159 PolarHBondContact NZ-OE1 3.33Å; Y128-E159 HydrophobicContact CE1-CG 4.43Å; Y128-E159 PolarHBondContact OH-OE1 3.21Å; V154-E159 HydrophobicContact CB-CG 4.25Å; V154-E159 HydrophobicContact CG1-CG 4.1Å; L155-E159 PolarHBondContact O-N 3.38Å; H156-E159 IonicContact ND1-OE2 3.52Å; H156-E159 WeakPolarHBondContact O-CB 3.48Å; H156-E159 PolarHBondContact O-N 3.15Å; E159-M161 VanDerWaalsContact C-N 3.33Å; E159-L162 PolarHBondContact O-N 3.06Å; E159-S163 PolarHBondContact O-N 2.96Å |
| 160 | V | 81.3 | Confident | 81.2 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66 | -37.7 | 174.1 | 171 | 0 | 0 | 0 | 0 | 110.8 | H156 Y158 S163 K164 | H156-V160 WeakPolarHBondContact NE2-CG2 3.36Å; H156-V160 WeakPolarHBondContact O-CG2 3.35Å; H156-V160 PolarHBondContact O-N 2.97Å; Y158-V160 VanDerWaalsContact C-N 3.33Å; Y158-V160 PolarHBondContact O-N 3.19Å; V160-S163 PolarHBondContact O-N 3.08Å; V160-S163 PolarHBondContact O-OG 3.2Å; V160-K164 HydrophobicContact CG1-CD 4.42Å; V160-K164 WeakPolarHBondContact O-CG 3.29Å; V160-K164 PolarHBondContact O-N 3.39Å |
| 161 | M | 77.6 | Confident | 81.1 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 174.8 | -168.1 | 177 | -117.3 | 0 | 0 | 111.4 | K157 Y158 E159 S163 K164 I165 F399 Y448 V451 K452 | K157-M161 PolarHBondContact O-N 2.95Å; Y158-M161 WeakPolarHBondContact O-CB 3.39Å; Y158-M161 PolarHBondContact O-N 2.88Å; Y158-M161 VanDerWaalsContact O-N 3.17Å; E159-M161 VanDerWaalsContact C-N 3.33Å; M161-S163 VanDerWaalsContact C-N 3.29Å; M161-S163 PolarHBondContact O-N 3.14Å; M161-K164 WeakPolarHBondContact O-CB 3.27Å; M161-K164 PolarHBondContact O-N 2.84Å; M161-I165 PolarHBondContact O-N 2.74Å; M161-F399 HydrophobicContact CB-CE2 4.25Å; M161-F399 HydrophobicContact CG-CE2 3.81Å; M161-F399 HydrophobicContact CG-CZ 4.24Å; M161-F399 HydrophobicContact SD-CD1 4.4Å; M161-F399 HydrophobicContact SD-CD2 3.78Å; M161-F399 HydrophobicContact SD-CE1 4Å; M161-F399 HydrophobicContact SD-CE2 3.33Å; M161-F399 WeakPolarHBondContact SD-CE2 3.34Å; M161-F399 HydrophobicContact SD-CG 4.3Å; M161-F399 HydrophobicContact SD-CZ 3.45Å; M161-F399 WeakPolarHBondContact SD-CZ 3.48Å; M161-Y448 HydrophobicContact CE-CD2 3.44Å; M161-Y448 VanDerWaalsContact CE-CD2 3.44Å; M161-Y448 HydrophobicContact CE-CE2 3.39Å; M161-Y448 HydrophobicContact CE-CG 4.27Å; M161-Y448 HydrophobicContact SD-CD2 3.66Å; M161-Y448 HydrophobicContact SD-CE2 3.84Å; M161-V451 HydrophobicContact CE-CB 3.9Å; M161-V451 HydrophobicContact CE-CG1 3.77Å; M161-V451 HydrophobicContact CG-CG1 3.76Å; M161-V451 HydrophobicContact SD-CB 4.45Å; M161-V451 HydrophobicContact SD-CG1 4.11Å; M161-K452 HydrophobicContact CE-CB 4.2Å |
| 162 | L | 77.1 | Confident | 81.1 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.5 | -39.1 | 175.3 | -67.2 | -176.8 | 0 | 0 | 0 | 112.6 | I91 Y158 E159 K164 I165 F399 Y402 | I91-L162 HydrophobicContact CG2-CB 4.04Å; Y158-L162 WeakPolarHBondContact O-CG 3.37Å; Y158-L162 PolarHBondContact O-N 2.75Å; E159-L162 PolarHBondContact O-N 3.06Å; L162-K164 PolarHBondContact O-N 3.37Å; L162-I165 HydrophobicContact CD2-CD1 4.11Å; L162-I165 PolarHBondContact O-N 2.7Å; L162-F399 HydrophobicContact CD2-CE2 4.15Å; L162-Y402 HydrophobicContact CD2-CE2 3.8Å; L162-Y402 WeakPolarHBondContact CD2-OH 3.38Å |
| 163 | S | 80.1 | Confident | 81.3 | Confident | 50 Ų | 50 | 38 Ų | 38 | 35% | 0.35 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68 | -15.1 | 176.7 | 70 | 0 | 0 | 0 | 0 | 114.6 | I91 E159 V160 M161 | I91-S163 WeakPolarHBondContact O-CA 3.31Å; I91-S163 WeakPolarHBondContact O-CB 3.46Å; E159-S163 PolarHBondContact O-N 2.96Å; V160-S163 PolarHBondContact O-N 3.08Å; V160-S163 PolarHBondContact O-OG 3.2Å; M161-S163 VanDerWaalsContact C-N 3.29Å; M161-S163 PolarHBondContact O-N 3.14Å |
| 164 | K | 78.4 | Confident | 81.3 | Confident | 96 Ų | 96 | 35.1 Ų | 35.1 | 42% | 0.417 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -98.3 | -12.4 | -178.4 | -70.6 | 175.4 | -179.3 | 179.7 | 0 | 113.3 | V160 M161 L162 | V160-K164 HydrophobicContact CG1-CD 4.42Å; V160-K164 WeakPolarHBondContact O-CG 3.29Å; V160-K164 PolarHBondContact O-N 3.39Å; M161-K164 WeakPolarHBondContact O-CB 3.27Å; M161-K164 PolarHBondContact O-N 2.84Å; L162-K164 PolarHBondContact O-N 3.37Å |
| 165 | I | 79.1 | Confident | 80.8 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -72.8 | 136.4 | 176.7 | -70.5 | 170 | 0 | 0 | 0 | 108.2 | M161 L162 P167 E170 F399 Y402 V451 | M161-I165 PolarHBondContact O-N 2.74Å; L162-I165 HydrophobicContact CD2-CD1 4.11Å; L162-I165 PolarHBondContact O-N 2.7Å; I165-P167 WeakPolarHBondContact O-CD 3.4Å; I165-E170 HydrophobicContact CG2-CB 4.05Å; I165-E170 HydrophobicContact CG2-CG 3.63Å; I165-F399 HydrophobicContact CD1-CE2 4.46Å; I165-F399 HydrophobicContact CD1-CZ 4.49Å; I165-Y402 HydrophobicContact CD1-CD2 4.17Å; I165-Y402 HydrophobicContact CD1-CE2 3.68Å; I165-V451 HydrophobicContact CG1-CG1 4.44Å |
| 166 | D | 82.1 | Confident | 79.9 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | trans | -81 | 107 | 168.1 | 175.4 | 32.2 | 0 | 0 | 0 | 109.7 | I50 C168 G169 E170 | I50-D166 HydrophobicContact CG2-CB 3.92Å; D166-C168 PolarHBondContact O-N 3.49Å; D166-C168 PolarHBondContact OD1-N 3.09Å; D166-G169 PolarHBondContact O-N 3.18Å; D166-G169 PolarHBondContact OD2-N 3.32Å; D166-E170 WeakPolarHBondContact O-CB 3.49Å; D166-E170 PolarHBondContact O-N 2.92Å | ||
| 167 | P | 86.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.7 | -24.2 | -179.2 | -17.8 | 34.6 | 0 | 0 | 0 | 112.3 | T94 I105 I165 W171 | T94-P167 VanDerWaalsContact OG1-CD 3.31Å; T94-P167 WeakPolarHBondContact OG1-CD 3.31Å; I105-P167 HydrophobicContact CB-CB 4.24Å; I105-P167 HydrophobicContact CD1-CB 3.95Å; I105-P167 HydrophobicContact CG2-CB 3.83Å; I105-P167 HydrophobicContact CG2-CG 4.39Å; I165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-W171 HydrophobicContact CB-CD2 3.93Å; P167-W171 HydrophobicContact CB-CE3 3.87Å; P167-W171 HydrophobicContact CB-CH2 4.33Å; P167-W171 HydrophobicContact CB-CZ2 4.35Å; P167-W171 HydrophobicContact CB-CZ3 4.1Å; P167-W171 VanDerWaalsContact O-CB 3.26Å; P167-W171 WeakPolarHBondContact O-CB 3.29Å; P167-W171 PolarHBondContact O-N 3.49Å |
| 168 | C | 86.1 | Confident | 79.7 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -46.5 | -180 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | T94 T95 C96 D166 Y179 | T94-C168 WeakPolarHBondContact CG2-SG 3.39Å; T95-C168 PolarHBondContact O-SG 3.18Å; C96-C168 WeakPolarHBondContact CA-SG 3.03Å; C96-C168 HydrophobicContact CB-CB 3.84Å; C96-C168 WeakPolarHBondContact CB-SG 3.34Å; C96-C168 VanDerWaalsContact SG-CA 3.53Å; C96-C168 WeakPolarHBondContact SG-CB 3.28Å; C96-C168 CovalentContact SG-SG 2.04Å; C96-C168 PolarHBondContact SG-SG 3.46Å; D166-C168 PolarHBondContact O-N 3.49Å; D166-C168 PolarHBondContact OD1-N 3.09Å; C168-Y179 HydrophobicContact CB-CE1 4.26Å; C168-Y179 WeakPolarHBondContact O-CE1 3.45Å |
| 169 | G | 82.9 | Confident | 80.2 | Confident | 41 Ų | 41 | 44.7 Ų | 44.7 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D166 I172 | D166-G169 PolarHBondContact O-N 3.18Å; D166-G169 PolarHBondContact OD2-N 3.32Å; G169-I172 WeakPolarHBondContact O-CG2 3.43Å |
| 170 | E | 84.7 | Confident | 80.8 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74 | -30.8 | -173.8 | -80.5 | -60.9 | 136.4 | 0 | 0 | 114.1 | I50 I165 D166 S405 N407 | I50-E170 HydrophobicContact CD1-CG 4.04Å; I50-E170 WeakPolarHBondContact CD1-OE1 3.31Å; I50-E170 WeakPolarHBondContact CG1-OE1 3.19Å; I165-E170 HydrophobicContact CG2-CB 4.05Å; I165-E170 HydrophobicContact CG2-CG 3.63Å; D166-E170 WeakPolarHBondContact O-CB 3.49Å; D166-E170 PolarHBondContact O-N 2.92Å; E170-S405 WeakPolarHBondContact O-CB 3.43Å; E170-S405 WeakPolarHBondContact OE2-CB 3.45Å; E170-S405 PolarHBondContact OE2-OG 3.33Å; E170-N407 PolarHBondContact OE1-ND2 3.11Å |
| 171 | W | 88.7 | Confident | 81.3 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 10.3 | -171.6 | -53 | -13.2 | 0 | 0 | 0 | 113.9 | I105 Q107 S130 P167 F173 Y179 R180 G182 Y402 | I105-W171 HydrophobicContact CD1-CE3 4.17Å; I105-W171 HydrophobicContact CG2-CE3 3.78Å; I105-W171 HydrophobicContact CG2-CH2 4.21Å; I105-W171 HydrophobicContact CG2-CZ3 3.31Å; Q107-W171 HydrophobicContact CG-CH2 3.66Å; Q107-W171 HydrophobicContact CG-CZ3 4.39Å; S130-W171 WeakPolarHBondContact OG-CH2 3.43Å; P167-W171 HydrophobicContact CB-CD2 3.93Å; P167-W171 HydrophobicContact CB-CE3 3.87Å; P167-W171 HydrophobicContact CB-CH2 4.33Å; P167-W171 HydrophobicContact CB-CZ2 4.35Å; P167-W171 HydrophobicContact CB-CZ3 4.1Å; P167-W171 VanDerWaalsContact O-CB 3.26Å; P167-W171 WeakPolarHBondContact O-CB 3.29Å; P167-W171 PolarHBondContact O-N 3.49Å; W171-F173 PolarHBondContact O-N 3.34Å; W171-Y179 CarbonylContact O-C 3.57Å; W171-Y179 WeakPolarHBondContact O-CA 3.3Å; W171-R180 WeakPolarHBondContact CB-O 3.18Å; W171-R180 PolarHBondContact O-N 2.81Å; W171-G182 VanDerWaalsContact CE2-CA 3.46Å; W171-Y402 AromaticContact CZ2-CE1 3.95Å; W171-Y402 HydrophobicContact CZ2-CE1 3.95Å; W171-Y402 HydrophobicContact CZ2-CE2 4.39Å; W171-Y402 AromaticContact CZ2-CZ 3.8Å; W171-Y402 AromaticContact NE1-CD1 3.9Å; W171-Y402 AromaticContact NE1-CD2 3.87Å; W171-Y402 AromaticContact NE1-CE2 3.98Å; W171-Y402 AromaticContact NE1-CG 3.81Å |
| 172 | I | 87.2 | Confident | 81.9 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 129 | 168.7 | -163.2 | 168.5 | 0 | 0 | 0 | 109.6 | G169 E175 I406 | G169-I172 WeakPolarHBondContact O-CG2 3.43Å; I172-E175 HydrophobicContact CD1-CG 4.1Å; I172-I406 HydrophobicContact CG2-CD1 4.25Å |
| 173 | F | 87.1 | Confident | 82.5 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -48.5 | -179.2 | 177 | -100.8 | 0 | 0 | 0 | 111.8 | W171 T178 R180 M227 G231 P331 Q332 T334 | W171-F173 PolarHBondContact O-N 3.34Å; F173-T178 WeakPolarHBondContact CB-O 3.5Å; F173-T178 PolarHBondContact N-O 2.92Å; F173-R180 HydrophobicContact CB-CB 4.49Å; F173-R180 VanDerWaalsContact CD2-NH2 3.34Å; F173-R180 VanDerWaalsContact CE2-NH2 3.28Å; F173-M227 HydrophobicContact CB-CE 3.38Å; F173-M227 HydrophobicContact CD1-CE 3.5Å; F173-M227 HydrophobicContact CD1-CG 4.32Å; F173-M227 HydrophobicContact CD1-SD 4.42Å; F173-M227 HydrophobicContact CD2-CE 3.86Å; F173-M227 HydrophobicContact CD2-CG 4.06Å; F173-M227 HydrophobicContact CE1-CE 4.19Å; F173-M227 HydrophobicContact CE1-CG 4.09Å; F173-M227 HydrophobicContact CE2-CB 4.36Å; F173-M227 HydrophobicContact CE2-CE 4.49Å; F173-M227 HydrophobicContact CE2-CG 3.83Å; F173-M227 HydrophobicContact CG-CE 3.28Å; F173-M227 HydrophobicContact CG-CG 4.28Å; F173-M227 HydrophobicContact CZ-CG 3.82Å; F173-G231 VanDerWaalsContact CZ-CA 3.49Å; F173-P331 WeakPolarHBondContact CD2-O 3.36Å; F173-Q332 PolarHBondContact O-NE2 3.02Å; F173-T334 HydrophobicContact CE2-CG2 4.14Å; F173-T334 HydrophobicContact CZ-CG2 3.74Å |
| 174 | E | 77.3 | Confident | 82.7 | Confident | 95 Ų | 95 | 39.2 Ų | 39.2 | 44% | 0.444 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 141.3 | 178.6 | -170 | 171.3 | -163.5 | 0 | 0 | 109.3 | Y177 T178 | E174-Y177 PolarHBondContact O-N 3.35Å; E174-Y177 VanDerWaalsContact O-N 3.17Å; E174-T178 PolarHBondContact O-N 3.16Å |
| 175 | E | 65.7 | Low | 83 | Confident | 140 Ų | 140 | 36.6 Ų | 36.6 | 65% | 0.654 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 141 | 171.7 | -70.6 | -171.5 | 179.6 | 0 | 0 | 110.8 | I172 | I172-E175 HydrophobicContact CD1-CG 4.1Š|
| 176 | P | 58.3 | Low | 83 | Confident | 101 Ų | 101 | 39 Ų | 39 | 66% | 0.656 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -96.8 | 107.4 | -0.4 | 32.8 | -21.8 | 0 | 0 | 0 | 110.3 | ||
| 177 | Y | 69.8 | Low | 83.3 | Confident | 151 Ų | 151 | 39.1 Ų | 39.1 | 59% | 0.592 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 45.6 | 158.5 | -35.3 | -63.9 | 0 | 0 | 0 | 118.5 | E174 | E174-Y177 PolarHBondContact O-N 3.35Å; E174-Y177 VanDerWaalsContact O-N 3.17Å |
| 178 | T | 84.5 | Confident | 83.4 | Confident | 49 Ų | 49 | 39.1 Ų | 39.1 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 132.7 | 158.5 | -50.2 | 0 | 0 | 0 | 0 | 110 | F173 E174 M227 | F173-T178 WeakPolarHBondContact CB-O 3.5Å; F173-T178 PolarHBondContact N-O 2.92Å; E174-T178 PolarHBondContact O-N 3.16Å; T178-M227 HydrophobicContact CG2-CE 3.66Å; T178-M227 HydrophobicContact CG2-SD 4.44Å |
| 179 | Y | 90.2 | Very high | 83.4 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 141.3 | -179.5 | -56.2 | -94 | 0 | 0 | 0 | 111.8 | C96 E103 I105 C168 W171 P200 M227 | C96-Y179 HydrophobicContact CB-CE1 3.94Å; C96-Y179 HydrophobicContact CB-CE2 4Å; C96-Y179 VanDerWaalsContact CB-CZ 3.43Å; C96-Y179 WeakPolarHBondContact CB-OH 3.21Å; E103-Y179 HydrophobicContact CG-CD2 4.44Å; E103-Y179 HydrophobicContact CG-CE2 4.45Å; E103-Y179 WeakPolarHBondContact OE1-CD2 3.22Å; I105-Y179 HydrophobicContact CD1-CD1 3.89Å; I105-Y179 HydrophobicContact CD1-CG 4.02Å; C168-Y179 HydrophobicContact CB-CE1 4.26Å; C168-Y179 WeakPolarHBondContact O-CE1 3.45Å; W171-Y179 CarbonylContact O-C 3.57Å; W171-Y179 WeakPolarHBondContact O-CA 3.3Å; Y179-P200 WeakPolarHBondContact O-CG 3.32Å; Y179-M227 WeakPolarHBondContact O-CE 3.18Å |
| 180 | R | 92.2 | Very high | 83.5 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 4% | 0.038 | 21% | 0.209 | C | C | . | . | trans | -86.8 | 150.9 | 173.7 | 177.5 | -165.7 | -66 | -86 | 1.3 | 110.1 | W171 F173 G182 T225 M227 P331 S333 | W171-R180 WeakPolarHBondContact CB-O 3.18Å; W171-R180 PolarHBondContact O-N 2.81Å; F173-R180 HydrophobicContact CB-CB 4.49Å; F173-R180 VanDerWaalsContact CD2-NH2 3.34Å; F173-R180 VanDerWaalsContact CE2-NH2 3.28Å; R180-G182 PolarHBondContact O-N 3.23Å; R180-T225 WeakPolarHBondContact CD-O 3.27Å; R180-T225 VanDerWaalsContact CG-O 3.31Å; R180-T225 WeakPolarHBondContact CG-O 3.24Å; R180-T225 VanDerWaalsContact NH1-CB 3.27Å; R180-T225 PolarHBondContact NH1-O 3.34Å; R180-T225 PolarHBondContact NH1-OG1 2.94Å; R180-M227 HydrophobicContact CB-CE 4.2Å; R180-M227 HydrophobicContact CG-CB 4.29Å; R180-P331 PolarHBondContact NH2-O 3.04Å; R180-S333 PolarHBondContact NH1-O 3.14Å; R180-S333 PolarHBondContact NH2-O 3.43Å | ||
| 181 | L | 92.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -69.7 | 119.7 | 166.1 | -66.5 | 168.1 | 0 | 0 | 0 | 110.8 | I132 A147 I183 P199 P200 G226 | I132-L181 HydrophobicContact CD1-CD2 3.62Å; I132-L181 HydrophobicContact CD1-CG 4.08Å; I132-L181 HydrophobicContact CG1-CD2 3.75Å; A147-L181 HydrophobicContact CB-CD1 3.72Å; L181-I183 PolarHBondContact O-N 2.8Å; L181-P199 HydrophobicContact CD1-CB 4.38Å; L181-P200 HydrophobicContact CG-CG 4.49Å; L181-G226 PolarHBondContact N-O 3.27Å | ||
| 182 | G | 88.2 | Confident | 83.7 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | trans | -67.1 | 102.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | W171 R180 Y402 | W171-G182 VanDerWaalsContact CE2-CA 3.46Å; R180-G182 PolarHBondContact O-N 3.23Å; G182-Y402 VanDerWaalsContact C-CE1 3.49Å | ||
| 183 | I | 89.8 | Confident | 83.9 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | trans | -110.6 | 119 | 174 | -58.4 | 171.6 | 0 | 0 | 0 | 108.4 | L181 M187 F194 Y197 R224 P403 | L181-I183 PolarHBondContact O-N 2.8Å; I183-M187 HydrophobicContact CG2-CB 4.32Å; I183-F194 HydrophobicContact CD1-CE1 3.93Å; I183-F194 HydrophobicContact CD1-CZ 4.19Å; I183-F194 HydrophobicContact CG1-CE1 4.46Å; I183-F194 HydrophobicContact CG2-CZ 3.98Å; I183-Y197 HydrophobicContact CD1-CD2 4.47Å; I183-Y197 HydrophobicContact CD1-CE2 3.74Å; I183-R224 HydrophobicContact CD1-CB 4.17Å; I183-P403 WeakPolarHBondContact O-CD 3.35Å | ||
| 184 | P | 86 | Confident | 84.1 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | trans | -60 | 143.4 | 175.6 | -23 | 33.6 | 0 | 0 | 0 | 111.6 | Y149 H186 M187 S188 Y402 | Y149-P184 VanDerWaalsContact OH-CD 3.27Å; Y149-P184 WeakPolarHBondContact OH-CD 3.05Å; Y149-P184 WeakPolarHBondContact OH-CG 3.37Å; P184-H186 VanDerWaalsContact C-N 3.28Å; P184-H186 PolarHBondContact O-N 2.9Å; P184-H186 VanDerWaalsContact O-N 3.15Å; P184-M187 CarbonylContact O-C 3.6Å; P184-M187 WeakPolarHBondContact O-CA 3.19Å; P184-M187 PolarHBondContact O-N 2.98Å; P184-S188 PolarHBondContact O-N 3.08Å; P184-Y402 HydrophobicContact CG-CE1 4.13Å | ||
| 185 | R | 83.4 | Confident | 84.8 | Confident | 41 Ų | 41 | 48.7 Ų | 48.7 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -49.5 | -43.3 | -177.9 | 177.9 | 60.9 | 174.5 | -176.3 | 0.1 | 114.6 | M187 S188 A401 P403 E440 | R185-M187 PolarHBondContact O-N 3.12Å; R185-S188 PolarHBondContact O-N 3.2Å; R185-S188 PolarHBondContact O-OG 2.97Å; R185-A401 PolarHBondContact N-O 2.89Å; R185-A401 VanDerWaalsContact N-O 3.14Å; R185-P403 HydrophobicContact CB-CB 4.15Å; R185-P403 HydrophobicContact CB-CG 3.95Å; R185-P403 HydrophobicContact CG-CB 4.46Å; R185-E440 IonicContact CZ-OE1 3.54Å; R185-E440 IonicContact NE-OE1 2.72Å; R185-E440 PolarHBondContact NE-OE1 3.42Å; R185-E440 IonicContact NH2-OE1 3.7Å; R185-E440 PolarHBondContact NH2-OE1 2.76Å |
| 186 | H | 79.9 | Confident | 86 | Confident | 62 Ų | 62 | 44 Ų | 44 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -71.6 | -13.6 | -178 | 68.1 | -89 | 0 | 0 | 0 | 113.2 | P184 Q398 G400 | P184-H186 VanDerWaalsContact C-N 3.28Å; P184-H186 PolarHBondContact O-N 2.9Å; P184-H186 VanDerWaalsContact O-N 3.15Å; H186-Q398 PolarHBondContact CE1-O 2.61Å; H186-G400 PolarHBondContact CE1-N 2.8Å; H186-G400 WeakPolarHBondContact ND1-CA 3.46Å; H186-G400 PolarHBondContact ND1-N 3.38Å |
| 187 | M | 87.5 | Confident | 87.6 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -107.9 | -8 | 177.6 | -66 | -67.2 | 165.7 | 0 | 0 | 112.9 | Y149 S151 I183 P184 R185 T189 T192 F194 | Y149-M187 HydrophobicContact CD2-CB 3.78Å; Y149-M187 HydrophobicContact CD2-CG 3.59Å; Y149-M187 HydrophobicContact CD2-SD 3.84Å; Y149-M187 HydrophobicContact CE2-CB 3.96Å; Y149-M187 HydrophobicContact CE2-CG 3.58Å; Y149-M187 HydrophobicContact CE2-SD 4.29Å; Y149-M187 HydrophobicContact CG-CB 4.22Å; Y149-M187 HydrophobicContact CG-CG 4.5Å; S151-M187 WeakPolarHBondContact OG-CE 3.37Å; I183-M187 HydrophobicContact CG2-CB 4.32Å; P184-M187 CarbonylContact O-C 3.6Å; P184-M187 WeakPolarHBondContact O-CA 3.19Å; P184-M187 PolarHBondContact O-N 2.98Å; R185-M187 PolarHBondContact O-N 3.12Å; M187-T189 PolarHBondContact O-N 3.2Å; M187-T192 HydrophobicContact CB-CG2 4.34Å; M187-T192 VanDerWaalsContact O-CB 3.3Å; M187-T192 WeakPolarHBondContact O-CB 3.49Å; M187-T192 WeakPolarHBondContact O-CG2 3.46Å; M187-T192 PolarHBondContact O-OG1 3Å; M187-T192 HydrophobicContact SD-CG2 3.92Å; M187-F194 VanDerWaalsContact O-CE2 3.25Å; M187-F194 WeakPolarHBondContact O-CE2 3.43Å; M187-F194 WeakPolarHBondContact O-CZ 3.29Å |
| 188 | S | 88.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -76 | -8.2 | 180 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | P184 R185 F223 R224 | P184-S188 PolarHBondContact O-N 3.08Å; R185-S188 PolarHBondContact O-N 3.2Å; R185-S188 PolarHBondContact O-OG 2.97Å; S188-F223 CarbonylContact O-C 3.58Å; S188-F223 WeakPolarHBondContact O-CA 3.31Å; S188-F223 WeakPolarHBondContact OG-CD1 3.46Å; S188-R224 VanDerWaalsContact CB-O 3.26Å; S188-R224 WeakPolarHBondContact CB-O 3.38Å; S188-R224 PolarHBondContact O-N 3.31Å |
| 189 | T | 87.2 | Confident | 89.1 | Confident | 36 Ų | 36 | 37.1 Ų | 37.1 | 22% | 0.221 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -67.6 | 156.9 | -173.9 | 70.9 | 0 | 0 | 0 | 0 | 113.2 | M187 E191 T192 N222 F223 | M187-T189 PolarHBondContact O-N 3.2Å; T189-E191 PolarHBondContact O-N 3.33Å; T189-T192 WeakPolarHBondContact O-CB 3.35Å; T189-T192 PolarHBondContact O-N 3.22Å; T189-T192 VanDerWaalsContact O-N 3.14Å; T189-T192 PolarHBondContact OG1-N 2.94Å; T189-T192 PolarHBondContact OG1-OG1 3.43Å; T189-N222 CarbonylContact C-O 3.44Å; T189-N222 WeakPolarHBondContact CA-O 3.33Å; T189-F223 HydrophobicContact CG2-CD1 4.28Å; T189-F223 HydrophobicContact CG2-CE1 3.84Å |
| 190 | A | 85.5 | Confident | 89.1 | Confident | 55 Ų | 55 | 37 Ų | 37 | 46% | 0.455 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T192 T221 N222 | A190-T192 PolarHBondContact O-N 3.34Å; A190-T221 WeakPolarHBondContact CB-O 3.38Å; A190-N222 PolarHBondContact N-O 3.19Å |
| 191 | E | 87.4 | Confident | 88.7 | Confident | 187 Ų | 187 | 38.4 Ų | 38.4 | 87% | 0.874 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -21.7 | 179.8 | -60.7 | 179.4 | 179.1 | 0 | 0 | 112.7 | T189 H193 | T189-E191 PolarHBondContact O-N 3.33Å; E191-H193 PolarHBondContact O-N 2.8Å |
| 192 | T | 89.6 | Confident | 87.5 | Confident | 18 Ų | 18 | 44.8 Ų | 44.8 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -71.9 | 127.5 | 179 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | M187 T189 A190 F194 R224 | M187-T192 HydrophobicContact CB-CG2 4.34Å; M187-T192 VanDerWaalsContact O-CB 3.3Å; M187-T192 WeakPolarHBondContact O-CB 3.49Å; M187-T192 WeakPolarHBondContact O-CG2 3.46Å; M187-T192 PolarHBondContact O-OG1 3Å; M187-T192 HydrophobicContact SD-CG2 3.92Å; T189-T192 WeakPolarHBondContact O-CB 3.35Å; T189-T192 PolarHBondContact O-N 3.22Å; T189-T192 VanDerWaalsContact O-N 3.14Å; T189-T192 PolarHBondContact OG1-N 2.94Å; T189-T192 PolarHBondContact OG1-OG1 3.43Å; A190-T192 PolarHBondContact O-N 3.34Å; T192-F194 HydrophobicContact CG2-CD2 3.97Å; T192-F194 HydrophobicContact CG2-CE2 3.58Å; T192-F194 HydrophobicContact CG2-CZ 4.47Å; T192-F194 WeakPolarHBondContact O-CD2 3.47Å; T192-R224 PolarHBondContact O-NH1 3.44Å |
| 193 | H | 91.4 | Very high | 86.4 | Confident | 94 Ų | 94 | 48 Ų | 48 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | trans | -78.9 | 123.2 | 175.1 | 179.5 | -113.4 | 0 | 0 | 0 | 110 | E150 E191 P195 | E150-H193 PolarHBondContact N-O 2.84Å; E150-H193 IonicContact OE1-CE1 3.71Å; E150-H193 IonicContact OE1-ND1 3.85Å; E150-H193 PolarHBondContact OE1-ND1 3.24Å; E150-H193 IonicContact OE2-CE1 3.9Å; E150-H193 IonicContact OE2-CG 3.67Å; E150-H193 IonicContact OE2-ND1 3.12Å; E150-H193 PolarHBondContact OE2-ND1 3Å; E191-H193 PolarHBondContact O-N 2.8Å; H193-P195 WeakPolarHBondContact O-CD 3.43Å | ||
| 194 | F | 91.9 | Very high | 85.3 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | trans | -109.7 | 101 | 174.9 | -80 | -112.4 | 0 | 0 | 0 | 108.7 | A147 C148 Y149 I183 M187 T192 F196 Y197 R224 | A147-F194 HydrophobicContact CB-CD1 4.4Å; A147-F194 HydrophobicContact CB-CE1 4.36Å; C148-F194 CarbonylContact O-C 3.59Å; C148-F194 WeakPolarHBondContact O-CA 3.14Å; C148-F194 WeakPolarHBondContact O-CB 3.07Å; C148-F194 WeakPolarHBondContact O-CD1 3.41Å; Y149-F194 HydrophobicContact CD1-CE1 4.11Å; Y149-F194 HydrophobicContact CD1-CZ 4.37Å; Y149-F194 HydrophobicContact CG-CE1 4.38Å; Y149-F194 HydrophobicContact CG-CZ 4.36Å; I183-F194 HydrophobicContact CD1-CE1 3.93Å; I183-F194 HydrophobicContact CD1-CZ 4.19Å; I183-F194 HydrophobicContact CG1-CE1 4.46Å; I183-F194 HydrophobicContact CG2-CZ 3.98Å; M187-F194 VanDerWaalsContact O-CE2 3.25Å; M187-F194 WeakPolarHBondContact O-CE2 3.43Å; M187-F194 WeakPolarHBondContact O-CZ 3.29Å; T192-F194 HydrophobicContact CG2-CD2 3.97Å; T192-F194 HydrophobicContact CG2-CE2 3.58Å; T192-F194 HydrophobicContact CG2-CZ 4.47Å; T192-F194 WeakPolarHBondContact O-CD2 3.47Å; F194-F196 PolarHBondContact O-N 3.45Å; F194-Y197 AromaticContact CD1-CD2 3.92Å; F194-Y197 HydrophobicContact CD1-CD2 3.92Å; F194-Y197 HydrophobicContact CD1-CG 4.31Å; F194-Y197 HydrophobicContact CE1-CD2 4.12Å; F194-R224 VanDerWaalsContact CD2-CZ 3.49Å | ||
| 195 | P | 91 | Very high | 84.6 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 10% | 0.104 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -53.9 | -24.4 | 172.2 | -29.2 | 35.3 | 0 | 0 | 0 | 113.9 | L79 Y85 V127 C148 E150 H193 | L79-P195 HydrophobicContact CD2-CB 4.23Å; Y85-P195 HydrophobicContact CE1-CB 4.47Å; V127-P195 HydrophobicContact CG1-CG 4.45Å; C148-P195 VanDerWaalsContact O-CD 3.28Å; C148-P195 WeakPolarHBondContact O-CD 3.35Å; E150-P195 HydrophobicContact CG-CG 4.04Å; H193-P195 WeakPolarHBondContact O-CD 3.43Å |
| 196 | F | 91.2 | Very high | 83.9 | Confident | 41 Ų | 41 | 52.7 Ų | 52.7 | 18% | 0.18 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 137.7 | 175.7 | -170.5 | -92.1 | 0 | 0 | 0 | 110.6 | F75 Y78 L79 A147 C148 F194 L198 | F75-F196 HydrophobicContact CE2-CB 4.44Å; F75-F196 AromaticContact CE2-CD1 3.42Å; F75-F196 HydrophobicContact CE2-CD1 3.42Å; F75-F196 VanDerWaalsContact CE2-CD1 3.42Å; F75-F196 HydrophobicContact CE2-CD2 4.26Å; F75-F196 AromaticContact CE2-CE1 3.61Å; F75-F196 HydrophobicContact CE2-CE1 3.61Å; F75-F196 HydrophobicContact CE2-CE2 4.42Å; F75-F196 AromaticContact CE2-CG 3.78Å; F75-F196 HydrophobicContact CE2-CG 3.78Å; F75-F196 HydrophobicContact CE2-CZ 4.1Å; F75-F196 HydrophobicContact CZ-CB 3.83Å; F75-F196 AromaticContact CZ-CD1 3.59Å; F75-F196 HydrophobicContact CZ-CD1 3.59Å; F75-F196 HydrophobicContact CZ-CD2 4.38Å; F75-F196 HydrophobicContact CZ-CE1 4.26Å; F75-F196 AromaticContact CZ-CG 3.66Å; F75-F196 HydrophobicContact CZ-CG 3.66Å; Y78-F196 HydrophobicContact CG-CE2 4.46Å; L79-F196 HydrophobicContact CD2-CB 3.73Å; A147-F196 CarbonylContact C-O 3.52Å; A147-F196 WeakPolarHBondContact CA-O 3.16Å; C148-F196 HydrophobicContact CB-CB 4.4Å; C148-F196 PolarHBondContact N-O 3.43Å; F194-F196 PolarHBondContact O-N 3.45Å; F196-L198 HydrophobicContact CE1-CB 3.54Å; F196-L198 HydrophobicContact CZ-CB 3.82Å; F196-L198 HydrophobicContact CZ-CD2 4.25Å |
| 197 | Y | 92.6 | Very high | 83.5 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 106.1 | 176.8 | -175.6 | -114.7 | 0 | 0 | 0 | 110.3 | A147 I183 F194 P199 R224 G226 D335 | A147-Y197 HydrophobicContact CB-CD2 3.74Å; A147-Y197 HydrophobicContact CB-CE2 4.31Å; I183-Y197 HydrophobicContact CD1-CD2 4.47Å; I183-Y197 HydrophobicContact CD1-CE2 3.74Å; F194-Y197 AromaticContact CD1-CD2 3.92Å; F194-Y197 HydrophobicContact CD1-CD2 3.92Å; F194-Y197 HydrophobicContact CD1-CG 4.31Å; F194-Y197 HydrophobicContact CE1-CD2 4.12Å; Y197-P199 HydrophobicContact CD1-CG 4.2Å; Y197-P199 HydrophobicContact CE1-CB 4.44Å; Y197-P199 VanDerWaalsContact CE1-CD 3.48Å; Y197-P199 HydrophobicContact CE1-CG 3.55Å; Y197-P199 HydrophobicContact CE2-CB 4.24Å; Y197-P199 HydrophobicContact CE2-CG 4.15Å; Y197-R224 HydrophobicContact CD1-CG 4.43Å; Y197-R224 HydrophobicContact CE1-CB 4.31Å; Y197-R224 HydrophobicContact CE1-CG 3.97Å; Y197-R224 HydrophobicContact CE2-CB 4.18Å; Y197-R224 HydrophobicContact CE2-CG 4.48Å; Y197-G226 WeakPolarHBondContact OH-CA 3.21Å; Y197-G226 PolarHBondContact OH-N 3Å; Y197-D335 WeakPolarHBondContact CE1-OD2 3.34Å; Y197-D335 VanDerWaalsContact CZ-OD2 3.25Å; Y197-D335 VanDerWaalsContact OH-CG 3.25Å; Y197-D335 PolarHBondContact OH-OD1 2.88Å; Y197-D335 PolarHBondContact OH-OD2 3.26Å |
| 198 | L | 91.9 | Very high | 83 | Confident | 90 Ų | 90 | 51.6 Ų | 51.6 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 77.7 | 175.1 | -174.3 | 66.8 | 0 | 0 | 0 | 108.4 | G145 S146 F196 | G145-L198 CarbonylContact C-O 3.59Å; G145-L198 WeakPolarHBondContact CA-O 3.26Å; S146-L198 PolarHBondContact N-O 2.94Å; S146-L198 CarbonylContact O-C 3.58Å; S146-L198 WeakPolarHBondContact O-CA 3.3Å; S146-L198 PolarHBondContact O-N 2.66Å; F196-L198 HydrophobicContact CE1-CB 3.54Å; F196-L198 HydrophobicContact CZ-CB 3.82Å; F196-L198 HydrophobicContact CZ-CD2 4.25Å |
| 199 | P | 92.7 | Very high | 82.5 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 7% | 0.065 | 32% | 0.318 | C | S | . | . | trans | -59.5 | 144.1 | 175.1 | 22.6 | -34.4 | 0 | 0 | 0 | 112.7 | L181 Y197 L228 | L181-P199 HydrophobicContact CD1-CB 4.38Å; Y197-P199 HydrophobicContact CD1-CG 4.2Å; Y197-P199 HydrophobicContact CE1-CB 4.44Å; Y197-P199 VanDerWaalsContact CE1-CD 3.48Å; Y197-P199 HydrophobicContact CE1-CG 3.55Å; Y197-P199 HydrophobicContact CE2-CB 4.24Å; Y197-P199 HydrophobicContact CE2-CG 4.15Å; P199-L228 HydrophobicContact CB-CD2 4.47Å; P199-L228 HydrophobicContact CB-CG 4.09Å; P199-L228 HydrophobicContact CG-CD1 4.03Å; P199-L228 HydrophobicContact CG-CD2 3.56Å; P199-L228 HydrophobicContact CG-CG 3.52Å | ||
| 200 | P | 91.6 | Very high | 82.2 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | trans | -56.3 | 155 | 166 | -20 | 31.6 | 0 | 0 | 0 | 110.5 | I132 L144 Y179 L181 M227 L228 | I132-P200 HydrophobicContact CD1-CG 4.11Å; L144-P200 WeakPolarHBondContact O-CA 3.21Å; Y179-P200 WeakPolarHBondContact O-CG 3.32Å; L181-P200 HydrophobicContact CG-CG 4.49Å; P200-M227 HydrophobicContact CB-SD 4.06Å; P200-M227 CarbonylContact O-C 3.5Å; P200-L228 PolarHBondContact O-N 3.49Å | ||
| 201 | G | 82.2 | Confident | 81.8 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 42% | 0.423 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -168.2 | 144.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 202 | N | 68.4 | Low | 81.7 | Confident | 134 Ų | 134 | 56.4 Ų | 56.4 | 72% | 0.717 | 30% | 0.304 | S | S | * | . | trans | -111 | 101 | 165.5 | -143 | -8.5 | 0 | 0 | 0 | 105.8 | A204 | N202-A204 PolarHBondContact O-N 2.79Š| ||
| 203 | P | 63.9 | Low | 81.5 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | trans | -63.1 | 109.6 | -177.1 | 24.5 | -30.5 | 0 | 0 | 0 | 107.9 | I207 | P203-I207 HydrophobicContact CB-CB 4.17Å; P203-I207 HydrophobicContact CB-CG2 3.81Å | ||
| 204 | A | 67.9 | Low | 81.1 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 17% | 0.174 | 34% | 0.34 | C | S | . | . | trans | -56.9 | 154 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | N202 E206 I207 T208 L230 | N202-A204 PolarHBondContact O-N 2.79Å; A204-E206 VanDerWaalsContact CB-OE2 3.24Å; A204-E206 WeakPolarHBondContact CB-OE2 3.4Å; A204-E206 PolarHBondContact O-N 3.01Å; A204-I207 WeakPolarHBondContact O-CA 3.36Å; A204-I207 WeakPolarHBondContact O-CB 3.46Å; A204-I207 PolarHBondContact O-N 3.45Å; A204-T208 PolarHBondContact O-N 3.48Å; A204-T208 VanDerWaalsContact O-N 3.07Å; A204-T208 PolarHBondContact O-OG1 2.84Å; A204-L230 HydrophobicContact CB-CB 4.06Å | ||
| 205 | P | 71.5 | Confident | 80.7 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 53% | 0.526 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.5 | -24.7 | -174.8 | -20.2 | 28.2 | 0 | 0 | 0 | 113.8 | Y209 | P205-Y209 WeakPolarHBondContact O-CB 3.22Å; P205-Y209 PolarHBondContact O-N 3.37Å |
| 206 | E | 69.2 | Low | 80.3 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 22% | 0.224 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 171.2 | -57.8 | 87 | 167.8 | 0 | 0 | 112.1 | A204 Y209 M210 L236 R284 | A204-E206 VanDerWaalsContact CB-OE2 3.24Å; A204-E206 WeakPolarHBondContact CB-OE2 3.4Å; A204-E206 PolarHBondContact O-N 3.01Å; E206-Y209 PolarHBondContact O-N 2.75Å; E206-M210 WeakPolarHBondContact O-CB 3.24Å; E206-M210 WeakPolarHBondContact O-CG 3.46Å; E206-M210 PolarHBondContact O-N 3.41Å; E206-L236 HydrophobicContact CB-CD1 3.96Å; E206-R284 WeakPolarHBondContact OE1-CD 3.42Å; E206-R284 IonicContact OE1-CZ 3.6Å; E206-R284 IonicContact OE1-NE 3.3Å; E206-R284 IonicContact OE1-NH1 2.89Å; E206-R284 PolarHBondContact OE1-NH1 2.88Å; E206-R284 IonicContact OE2-NH1 2.77Å; E206-R284 PolarHBondContact OE2-NH1 3.42Å |
| 207 | I | 71.4 | Confident | 79.9 | Confident | 7 Ų | 7 | 73.8 Ų | 73.8 | 4% | 0.036 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67 | -45.6 | 178.1 | -68 | 177.3 | 0 | 0 | 0 | 109.3 | P203 A204 Y209 M210 I211 L217 G229 L236 | P203-I207 HydrophobicContact CB-CB 4.17Å; P203-I207 HydrophobicContact CB-CG2 3.81Å; A204-I207 WeakPolarHBondContact O-CA 3.36Å; A204-I207 WeakPolarHBondContact O-CB 3.46Å; A204-I207 PolarHBondContact O-N 3.45Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 PolarHBondContact O-N 3.4Å; I207-M210 PolarHBondContact O-N 3.44Å; I207-I211 HydrophobicContact CG2-CD1 3.69Å; I207-I211 HydrophobicContact CG2-CG1 4.33Å; I207-I211 WeakPolarHBondContact O-CB 3.43Å; I207-I211 VanDerWaalsContact O-CG1 3.27Å; I207-I211 WeakPolarHBondContact O-CG1 3.38Å; I207-I211 PolarHBondContact O-N 2.66Å; I207-L217 HydrophobicContact CB-CD2 4.16Å; I207-L217 HydrophobicContact CG1-CD2 4.02Å; I207-L217 HydrophobicContact CG2-CD1 4.05Å; I207-L217 HydrophobicContact CG2-CD2 3.9Å; I207-G229 VanDerWaalsContact CD1-C 3.49Å; I207-L236 HydrophobicContact CD1-CD2 3.91Å; I207-L236 HydrophobicContact CG1-CD1 3.95Å; I207-L236 HydrophobicContact CG1-CD2 3.91Å |
| 208 | T | 76.5 | Confident | 79.6 | Confident | 52 Ų | 52 | 73 Ų | 73 | 32% | 0.319 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 175 | -49.4 | 0 | 0 | 0 | 0 | 110.5 | A204 M210 I211 D212 | A204-T208 PolarHBondContact O-N 3.48Å; A204-T208 VanDerWaalsContact O-N 3.07Å; A204-T208 PolarHBondContact O-OG1 2.84Å; T208-M210 VanDerWaalsContact C-N 3.33Å; T208-M210 PolarHBondContact O-N 3.3Å; T208-I211 PolarHBondContact O-N 2.98Å; T208-D212 WeakPolarHBondContact O-CB 3.49Å; T208-D212 PolarHBondContact O-N 2.79Å |
| 209 | Y | 78.7 | Confident | 79.3 | Confident | 138 Ų | 138 | 75.1 Ų | 75.1 | 54% | 0.541 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57 | -44.9 | 174.8 | 175.1 | -94.8 | 0 | 0 | 0 | 112.3 | P205 E206 I207 D212 N213 L215 | P205-Y209 WeakPolarHBondContact O-CB 3.22Å; P205-Y209 PolarHBondContact O-N 3.37Å; E206-Y209 PolarHBondContact O-N 2.75Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 PolarHBondContact O-N 3.4Å; Y209-D212 PolarHBondContact O-N 3.46Å; Y209-N213 VanDerWaalsContact CD2-ND2 3.34Å; Y209-N213 WeakPolarHBondContact CD2-ND2 3.42Å; Y209-N213 VanDerWaalsContact CE2-ND2 3.31Å; Y209-N213 WeakPolarHBondContact CE2-ND2 3.45Å; Y209-N213 WeakPolarHBondContact O-CB 3.43Å; Y209-N213 PolarHBondContact O-N 3.5Å; Y209-N213 PolarHBondContact O-ND2 3.36Å; Y209-L215 HydrophobicContact CD1-CD1 4.24Å; Y209-L215 HydrophobicContact CE1-CD1 3.77Å |
| 210 | M | 80 | Confident | 78.8 | Confident | 34 Ų | 34 | 75.8 Ų | 75.8 | 17% | 0.167 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 178.4 | -73.3 | -177.7 | 75.1 | 0 | 0 | 111.7 | E206 I207 T208 N213 N214 L215 E216 L217 L236 | E206-M210 WeakPolarHBondContact O-CB 3.24Å; E206-M210 WeakPolarHBondContact O-CG 3.46Å; E206-M210 PolarHBondContact O-N 3.41Å; I207-M210 PolarHBondContact O-N 3.44Å; T208-M210 VanDerWaalsContact C-N 3.33Å; T208-M210 PolarHBondContact O-N 3.3Å; M210-N213 CarbonylContact O-C 3.51Å; M210-N213 PolarHBondContact O-N 3.13Å; M210-N214 PolarHBondContact O-N 2.91Å; M210-N214 VanDerWaalsContact O-N 3.07Å; M210-L215 HydrophobicContact CB-CB 3.94Å; M210-L215 HydrophobicContact CE-CB 3.94Å; M210-L215 HydrophobicContact CG-CB 4.03Å; M210-L215 HydrophobicContact CG-CD1 4.13Å; M210-L215 PolarHBondContact O-N 3.38Å; M210-E216 WeakPolarHBondContact CE-O 3.29Å; M210-L217 HydrophobicContact CB-CD2 3.71Å; M210-L217 HydrophobicContact CB-CG 4.45Å; M210-L217 HydrophobicContact CE-CD2 4.24Å; M210-L217 HydrophobicContact CG-CD2 4.39Å; M210-L217 HydrophobicContact SD-CD2 3.9Å; M210-L236 HydrophobicContact SD-CD1 3.87Å |
| 211 | I | 77.4 | Confident | 78.3 | Confident | 89 Ų | 89 | 80.3 Ų | 80.3 | 46% | 0.456 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.5 | -51 | 175.6 | -67.8 | 168 | 0 | 0 | 0 | 110.4 | I207 T208 N213 N214 L217 | I207-I211 HydrophobicContact CG2-CD1 3.69Å; I207-I211 HydrophobicContact CG2-CG1 4.33Å; I207-I211 WeakPolarHBondContact O-CB 3.43Å; I207-I211 VanDerWaalsContact O-CG1 3.27Å; I207-I211 WeakPolarHBondContact O-CG1 3.38Å; I207-I211 PolarHBondContact O-N 2.66Å; T208-I211 PolarHBondContact O-N 2.98Å; I211-N213 PolarHBondContact O-N 3.24Å; I211-N214 PolarHBondContact O-N 3Å; I211-L217 HydrophobicContact CD1-CD1 4.21Å; I211-L217 HydrophobicContact CG1-CD1 3.91Å |
| 212 | D | 84.4 | Confident | 78.5 | Confident | 118 Ų | 118 | 82.5 Ų | 82.5 | 63% | 0.631 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.8 | -27.7 | -177.3 | -68.3 | -13.6 | 0 | 0 | 0 | 112.4 | T208 Y209 | T208-D212 WeakPolarHBondContact O-CB 3.49Å; T208-D212 PolarHBondContact O-N 2.79Å; Y209-D212 PolarHBondContact O-N 3.46Å |
| 213 | N | 86.6 | Confident | 79.4 | Confident | 84 Ų | 84 | 78 Ų | 78 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 12.5 | 178.8 | -66.9 | -91.8 | 0 | 0 | 0 | 113.2 | Y209 M210 I211 L215 | Y209-N213 VanDerWaalsContact CD2-ND2 3.34Å; Y209-N213 WeakPolarHBondContact CD2-ND2 3.42Å; Y209-N213 VanDerWaalsContact CE2-ND2 3.31Å; Y209-N213 WeakPolarHBondContact CE2-ND2 3.45Å; Y209-N213 WeakPolarHBondContact O-CB 3.43Å; Y209-N213 PolarHBondContact O-N 3.5Å; Y209-N213 PolarHBondContact O-ND2 3.36Å; M210-N213 CarbonylContact O-C 3.51Å; M210-N213 PolarHBondContact O-N 3.13Å; I211-N213 PolarHBondContact O-N 3.24Å; N213-L215 HydrophobicContact CB-CD1 4.29Å; N213-L215 HydrophobicContact CB-CG 4.06Å; N213-L215 PolarHBondContact O-N 3.17Å; N213-L215 VanDerWaalsContact O-N 3.17Å |
| 214 | N | 82.8 | Confident | 80.7 | Confident | 159 Ų | 159 | 77.9 Ų | 77.9 | 85% | 0.85 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 34.8 | -177.8 | -67.9 | -40 | 0 | 0 | 0 | 114.1 | M210 I211 | M210-N214 PolarHBondContact O-N 2.91Å; M210-N214 VanDerWaalsContact O-N 3.07Å; I211-N214 PolarHBondContact O-N 3Å |
| 215 | L | 82.7 | Confident | 81.9 | Confident | 83 Ų | 83 | 76.9 Ų | 76.9 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | trans | -84 | 139.5 | 173.7 | -58.1 | 176.9 | 0 | 0 | 0 | 110.2 | Y209 M210 N213 L217 | Y209-L215 HydrophobicContact CD1-CD1 4.24Å; Y209-L215 HydrophobicContact CE1-CD1 3.77Å; M210-L215 HydrophobicContact CB-CB 3.94Å; M210-L215 HydrophobicContact CE-CB 3.94Å; M210-L215 HydrophobicContact CG-CB 4.03Å; M210-L215 HydrophobicContact CG-CD1 4.13Å; M210-L215 PolarHBondContact O-N 3.38Å; N213-L215 HydrophobicContact CB-CD1 4.29Å; N213-L215 HydrophobicContact CB-CG 4.06Å; N213-L215 PolarHBondContact O-N 3.17Å; N213-L215 VanDerWaalsContact O-N 3.17Å; L215-L217 PolarHBondContact O-N 2.7Å | ||
| 216 | E | 83.6 | Confident | 82.9 | Confident | 181 Ų | 181 | 73 Ų | 73 | 85% | 0.846 | 37% | 0.367 | S | S | * | . | trans | -66.4 | 114.9 | -180 | -172.6 | -179.9 | -178.9 | 0 | 0 | 111.2 | M210 | M210-E216 WeakPolarHBondContact CE-O 3.29Š| ||
| 217 | L | 82.7 | Confident | 84 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | trans | -68.1 | 130 | 173.6 | -71.7 | 171.1 | 0 | 0 | 0 | 109.6 | I207 M210 I211 L215 Q219 | I207-L217 HydrophobicContact CB-CD2 4.16Å; I207-L217 HydrophobicContact CG1-CD2 4.02Å; I207-L217 HydrophobicContact CG2-CD1 4.05Å; I207-L217 HydrophobicContact CG2-CD2 3.9Å; M210-L217 HydrophobicContact CB-CD2 3.71Å; M210-L217 HydrophobicContact CB-CG 4.45Å; M210-L217 HydrophobicContact CE-CD2 4.24Å; M210-L217 HydrophobicContact CG-CD2 4.39Å; M210-L217 HydrophobicContact SD-CD2 3.9Å; I211-L217 HydrophobicContact CD1-CD1 4.21Å; I211-L217 HydrophobicContact CG1-CD1 3.91Å; L215-L217 PolarHBondContact O-N 2.7Å; L217-Q219 PolarHBondContact O-N 3.05Å; L217-Q219 VanDerWaalsContact O-N 3.16Å | ||
| 218 | P | 86.7 | Confident | 84.9 | Confident | 41 Ų | 41 | 73.6 Ų | 73.6 | 27% | 0.266 | 37% | 0.371 | S | S | . | . | trans | -53.6 | 128.7 | 168.8 | -23.9 | 34.5 | 0 | 0 | 0 | 108.5 | L236 N336 W338 | P218-L236 HydrophobicContact CG-CB 4.14Å; P218-N336 WeakPolarHBondContact O-CA 3.42Å; P218-N336 WeakPolarHBondContact O-CB 3.19Å; P218-N336 PolarHBondContact O-ND2 3.11Å; P218-W338 HydrophobicContact CB-CH2 4.33Å; P218-W338 HydrophobicContact CB-CZ3 4.19Å | ||
| 219 | Q | 84.9 | Confident | 85.4 | Confident | 133 Ų | 133 | 71.2 Ų | 71.2 | 62% | 0.621 | 36% | 0.356 | S | S | * | . | trans | -129.2 | 126.4 | 176.3 | -172.5 | 175.4 | 3.4 | 0 | 0 | 108.1 | L217 T221 D335 | L217-Q219 PolarHBondContact O-N 3.05Å; L217-Q219 VanDerWaalsContact O-N 3.16Å; Q219-T221 PolarHBondContact O-N 3.36Å; Q219-D335 WeakPolarHBondContact CA-O 3.47Å | ||
| 220 | Y | 81.3 | Confident | 85.6 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 10% | 0.098 | 34% | 0.337 | C | S | . | . | trans | -75.8 | 107.5 | 172.9 | -165.6 | -124.6 | 0 | 0 | 0 | 109.4 | N222 F223 Y327 D335 W338 | Y220-N222 HydrophobicContact CE1-CB 3.92Å; Y220-N222 HydrophobicContact CE2-CB 4.41Å; Y220-N222 PolarHBondContact O-N 3.27Å; Y220-F223 HydrophobicContact CD1-CB 4.02Å; Y220-F223 HydrophobicContact CD1-CD2 4.4Å; Y220-F223 HydrophobicContact CE1-CB 3.89Å; Y220-F223 AromaticContact CE1-CD2 3.48Å; Y220-F223 HydrophobicContact CE1-CD2 3.48Å; Y220-F223 VanDerWaalsContact CE1-CD2 3.48Å; Y220-F223 HydrophobicContact CE1-CE2 4.46Å; Y220-F223 HydrophobicContact CE1-CG 4.14Å; Y220-Y327 AromaticContact CD1-CD2 3.98Å; Y220-Y327 HydrophobicContact CD1-CD2 3.98Å; Y220-Y327 AromaticContact CD1-CE2 3.57Å; Y220-Y327 HydrophobicContact CD1-CE2 3.57Å; Y220-Y327 HydrophobicContact CE1-CD1 4.39Å; Y220-Y327 AromaticContact CE1-CD2 3.19Å; Y220-Y327 HydrophobicContact CE1-CD2 3.19Å; Y220-Y327 HydrophobicContact CE1-CE1 4.43Å; Y220-Y327 AromaticContact CE1-CE2 3.19Å; Y220-Y327 HydrophobicContact CE1-CE2 3.19Å; Y220-Y327 AromaticContact CE1-CG 3.79Å; Y220-Y327 HydrophobicContact CE1-CG 3.79Å; Y220-Y327 AromaticContact CE1-CZ 3.84Å; Y220-Y327 HydrophobicContact CE2-CD2 4.06Å; Y220-Y327 HydrophobicContact CG-CE2 4.37Å; Y220-Y327 AromaticContact CZ-CD2 3.3Å; Y220-Y327 AromaticContact CZ-CE2 3.81Å; Y220-Y327 AromaticContact CZ-CG 3.8Å; Y220-Y327 VanDerWaalsContact OH-CB 3.25Å; Y220-Y327 WeakPolarHBondContact OH-CB 2.94Å; Y220-Y327 WeakPolarHBondContact OH-CD2 3.32Å; Y220-D335 PolarHBondContact N-O 3.18Å; Y220-W338 AromaticContact CD2-CD2 3.63Å; Y220-W338 HydrophobicContact CD2-CD2 3.63Å; Y220-W338 AromaticContact CD2-CE2 3.55Å; Y220-W338 HydrophobicContact CD2-CE3 4.11Å; Y220-W338 AromaticContact CD2-CG 3.92Å; Y220-W338 HydrophobicContact CD2-CG 3.92Å; Y220-W338 HydrophobicContact CD2-CH2 4.37Å; Y220-W338 AromaticContact CD2-CZ2 3.96Å; Y220-W338 HydrophobicContact CD2-CZ2 3.96Å; Y220-W338 HydrophobicContact CD2-CZ3 4.44Å; Y220-W338 AromaticContact CD2-NE1 3.79Å; Y220-W338 HydrophobicContact CE2-CD2 4.46Å; Y220-W338 HydrophobicContact CE2-CG 4.43Å; Y220-W338 AromaticContact CE2-NE1 3.96Å; Y220-W338 AromaticContact CG-CD2 3.95Å; Y220-W338 HydrophobicContact CG-CD2 3.95Å; Y220-W338 HydrophobicContact CG-CE3 4.13Å; Y220-W338 HydrophobicContact CG-CG 4.15Å | ||
| 221 | T | 82.4 | Confident | 85.8 | Confident | 104 Ų | 104 | 65.5 Ų | 65.5 | 64% | 0.638 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -78.2 | -20.7 | -170.9 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | A190 Q219 | A190-T221 WeakPolarHBondContact CB-O 3.38Å; Q219-T221 PolarHBondContact O-N 3.36Å |
| 222 | N | 85.2 | Confident | 86 | Confident | 86 Ų | 86 | 63.4 Ų | 63.4 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -83.7 | -28.2 | -173 | -68.4 | -23.8 | 0 | 0 | 0 | 113.6 | T189 A190 Y220 | T189-N222 CarbonylContact C-O 3.44Å; T189-N222 WeakPolarHBondContact CA-O 3.33Å; A190-N222 PolarHBondContact N-O 3.19Å; Y220-N222 HydrophobicContact CE1-CB 3.92Å; Y220-N222 HydrophobicContact CE2-CB 4.41Å; Y220-N222 PolarHBondContact O-N 3.27Å |
| 223 | F | 87.1 | Confident | 86.1 | Confident | 39 Ų | 39 | 58.3 Ų | 58.3 | 17% | 0.171 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -144.4 | 139.1 | -176.1 | -63.4 | -93.5 | 0 | 0 | 0 | 113 | S188 T189 Y220 Y327 | S188-F223 CarbonylContact O-C 3.58Å; S188-F223 WeakPolarHBondContact O-CA 3.31Å; S188-F223 WeakPolarHBondContact OG-CD1 3.46Å; T189-F223 HydrophobicContact CG2-CD1 4.28Å; T189-F223 HydrophobicContact CG2-CE1 3.84Å; Y220-F223 HydrophobicContact CD1-CB 4.02Å; Y220-F223 HydrophobicContact CD1-CD2 4.4Å; Y220-F223 HydrophobicContact CE1-CB 3.89Å; Y220-F223 AromaticContact CE1-CD2 3.48Å; Y220-F223 HydrophobicContact CE1-CD2 3.48Å; Y220-F223 VanDerWaalsContact CE1-CD2 3.48Å; Y220-F223 HydrophobicContact CE1-CE2 4.46Å; Y220-F223 HydrophobicContact CE1-CG 4.14Å; F223-Y327 HydrophobicContact CD2-CD1 4.46Å |
| 224 | R | 91.8 | Very high | 85.9 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | trans | -87.6 | 129.7 | 167.9 | -67.3 | -179.2 | -176.8 | 88.1 | -0.3 | 109.9 | I183 S188 T192 F194 Y197 | I183-R224 HydrophobicContact CD1-CB 4.17Å; S188-R224 VanDerWaalsContact CB-O 3.26Å; S188-R224 WeakPolarHBondContact CB-O 3.38Å; S188-R224 PolarHBondContact O-N 3.31Å; T192-R224 PolarHBondContact O-NH1 3.44Å; F194-R224 VanDerWaalsContact CD2-CZ 3.49Å; Y197-R224 HydrophobicContact CD1-CG 4.43Å; Y197-R224 HydrophobicContact CE1-CB 4.31Å; Y197-R224 HydrophobicContact CE1-CG 3.97Å; Y197-R224 HydrophobicContact CE2-CB 4.18Å; Y197-R224 HydrophobicContact CE2-CG 4.48Å | ||
| 225 | T | 92.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -99.3 | -16.2 | -176.2 | 74.5 | 0 | 0 | 0 | 0 | 112.6 | R180 M227 T334 D335 F404 | R180-T225 WeakPolarHBondContact CD-O 3.27Å; R180-T225 VanDerWaalsContact CG-O 3.31Å; R180-T225 WeakPolarHBondContact CG-O 3.24Å; R180-T225 VanDerWaalsContact NH1-CB 3.27Å; R180-T225 PolarHBondContact NH1-O 3.34Å; R180-T225 PolarHBondContact NH1-OG1 2.94Å; T225-M227 VanDerWaalsContact C-N 3.34Å; T225-M227 PolarHBondContact OG1-N 3.33Å; T225-M227 PolarHBondContact OG1-O 2.96Å; T225-T334 WeakPolarHBondContact CG2-O 3.48Å; T225-T334 VanDerWaalsContact OG1-CA 3.23Å; T225-T334 WeakPolarHBondContact OG1-CA 2.96Å; T225-D335 WeakPolarHBondContact CA-OD1 3.46Å; T225-D335 WeakPolarHBondContact CB-OD1 3.45Å; T225-D335 PolarHBondContact N-OD1 2.95Å; T225-D335 PolarHBondContact OG1-N 3.2Å; T225-D335 PolarHBondContact OG1-OD1 3.04Å; T225-F404 HydrophobicContact CG2-CE1 4.39Å; T225-F404 HydrophobicContact CG2-CE2 4.31Å; T225-F404 HydrophobicContact CG2-CZ 4.02Å | ||
| 226 | G | 93.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 79.4 | 15.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L181 Y197 | L181-G226 PolarHBondContact N-O 3.27Å; Y197-G226 WeakPolarHBondContact OH-CA 3.21Å; Y197-G226 PolarHBondContact OH-N 3Å |
| 227 | M | 92.8 | Very high | 86.2 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | trans | -148 | 139.3 | 176.7 | -172.4 | 63.1 | 87.9 | 0 | 0 | 110.3 | F173 T178 Y179 R180 P200 T225 T334 D335 | F173-M227 HydrophobicContact CB-CE 3.38Å; F173-M227 HydrophobicContact CD1-CE 3.5Å; F173-M227 HydrophobicContact CD1-CG 4.32Å; F173-M227 HydrophobicContact CD1-SD 4.42Å; F173-M227 HydrophobicContact CD2-CE 3.86Å; F173-M227 HydrophobicContact CD2-CG 4.06Å; F173-M227 HydrophobicContact CE1-CE 4.19Å; F173-M227 HydrophobicContact CE1-CG 4.09Å; F173-M227 HydrophobicContact CE2-CB 4.36Å; F173-M227 HydrophobicContact CE2-CE 4.49Å; F173-M227 HydrophobicContact CE2-CG 3.83Å; F173-M227 HydrophobicContact CG-CE 3.28Å; F173-M227 HydrophobicContact CG-CG 4.28Å; F173-M227 HydrophobicContact CZ-CG 3.82Å; T178-M227 HydrophobicContact CG2-CE 3.66Å; T178-M227 HydrophobicContact CG2-SD 4.44Å; Y179-M227 WeakPolarHBondContact O-CE 3.18Å; R180-M227 HydrophobicContact CB-CE 4.2Å; R180-M227 HydrophobicContact CG-CB 4.29Å; P200-M227 HydrophobicContact CB-SD 4.06Å; P200-M227 CarbonylContact O-C 3.5Å; T225-M227 VanDerWaalsContact C-N 3.34Å; T225-M227 PolarHBondContact OG1-N 3.33Å; T225-M227 PolarHBondContact OG1-O 2.96Å; M227-T334 HydrophobicContact CB-CG2 4.31Å; M227-T334 HydrophobicContact CG-CG2 3.91Å; M227-T334 CarbonylContact O-C 3.58Å; M227-T334 WeakPolarHBondContact O-CA 3.29Å; M227-T334 WeakPolarHBondContact O-CB 3.37Å; M227-D335 PolarHBondContact O-N 2.9Å | ||
| 228 | L | 89.6 | Confident | 86.6 | Confident | 65 Ų | 65 | 43 Ų | 43 | 34% | 0.34 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -100.5 | 154.9 | 169.3 | -56.6 | 173.3 | 0 | 0 | 0 | 110 | P199 P200 D335 | P199-L228 HydrophobicContact CB-CD2 4.47Å; P199-L228 HydrophobicContact CB-CG 4.09Å; P199-L228 HydrophobicContact CG-CD1 4.03Å; P199-L228 HydrophobicContact CG-CD2 3.56Å; P199-L228 HydrophobicContact CG-CG 3.52Å; P200-L228 PolarHBondContact O-N 3.49Å; L228-D335 HydrophobicContact CD2-CB 3.98Å |
| 229 | G | 87.1 | Confident | 86.8 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 126.8 | -170.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I207 T334 N336 | I207-G229 VanDerWaalsContact CD1-C 3.49Å; G229-T334 WeakPolarHBondContact O-CB 3.44Å; G229-T334 PolarHBondContact O-OG1 3.12Å; G229-N336 PolarHBondContact N-OD1 3.15Å |
| 230 | L | 84 | Confident | 87.2 | Confident | 27 Ų | 27 | 38 Ų | 38 | 14% | 0.141 | 21% | 0.206 | C | C | . | . | trans | -82.1 | -32.6 | 167 | 177.4 | 61.1 | 0 | 0 | 0 | 111.8 | A204 Y235 L236 S337 | A204-L230 HydrophobicContact CB-CB 4.06Å; L230-Y235 WeakPolarHBondContact CD1-O 3.48Å; L230-L236 HydrophobicContact CB-CD2 3.99Å; L230-L236 HydrophobicContact CD1-CD2 3.98Å; L230-L236 HydrophobicContact CD1-CG 4.14Å; L230-L236 VanDerWaalsContact CD1-N 3.32Å; L230-S337 WeakPolarHBondContact O-CB 3.29Å | ||
| 231 | G | 83 | Confident | 87.8 | Confident | 26 Ų | 26 | 37 Ų | 37 | 27% | 0.268 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -156.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F173 L233 | F173-G231 VanDerWaalsContact CZ-CA 3.49Å; G231-L233 PolarHBondContact O-N 3.43Å |
| 232 | G | 82.1 | Confident | 88.4 | Confident | 44 Ų | 44 | 35.1 Ų | 35.1 | 45% | 0.454 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 8.2 | 171 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 233 | L | 86.3 | Confident | 88.9 | Confident | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.063 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -79.4 | 163.3 | 177.9 | -66.8 | -178.9 | 0 | 0 | 0 | 112 | G231 Q332 S337 V339 | G231-L233 PolarHBondContact O-N 3.43Å; L233-Q332 HydrophobicContact CD2-CB 4.02Å; L233-Q332 HydrophobicContact CG-CB 3.94Å; L233-S337 VanDerWaalsContact CB-OG 3.32Å; L233-S337 WeakPolarHBondContact CB-OG 3.44Å; L233-S337 WeakPolarHBondContact CD1-O 3.26Å; L233-S337 VanDerWaalsContact CD1-OG 3.26Å; L233-S337 WeakPolarHBondContact CD1-OG 3.06Å; L233-V339 HydrophobicContact CD1-CG2 4.01Å; L233-V339 HydrophobicContact CD2-CG2 3.7Å |
| 234 | R | 81.6 | Confident | 89.3 | Confident | 62 Ų | 62 | 29.1 Ų | 29.1 | 23% | 0.234 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -77.5 | -31.3 | -172.4 | -61 | -177.1 | 179.9 | -164.2 | -2.3 | 112.7 | N239 Y275 | R234-N239 PolarHBondContact N-OD1 2.89Å; R234-N239 VanDerWaalsContact N-OD1 3.14Å; R234-Y275 VanDerWaalsContact CZ-CB 3.43Å |
| 235 | Y | 81.2 | Confident | 89.6 | Confident | 31 Ų | 31 | 25.9 Ų | 25.9 | 12% | 0.122 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -141.6 | 151.1 | -173.4 | -44.3 | -65.3 | 0 | 0 | 0 | 112.6 | L230 N239 P278 K282 S337 | L230-Y235 WeakPolarHBondContact CD1-O 3.48Å; Y235-N239 WeakPolarHBondContact CD2-OD1 3.45Å; Y235-N239 PolarHBondContact N-OD1 3.05Å; Y235-N239 VanDerWaalsContact N-OD1 3.07Å; Y235-N239 PolarHBondContact O-ND2 2.84Å; Y235-P278 HydrophobicContact CE1-CB 3.71Å; Y235-P278 HydrophobicContact CE1-CG 3.84Å; Y235-P278 HydrophobicContact CE2-CB 4.02Å; Y235-P278 HydrophobicContact CE2-CG 4.45Å; Y235-P278 VanDerWaalsContact CZ-CB 3.45Å; Y235-P278 WeakPolarHBondContact OH-CD 3.33Å; Y235-P278 WeakPolarHBondContact OH-CG 3.45Å; Y235-K282 HydrophobicContact CD1-CB 4.3Å; Y235-K282 WeakPolarHBondContact CD1-O 3.38Å; Y235-K282 VanDerWaalsContact CE1-O 3.22Å; Y235-K282 WeakPolarHBondContact CE1-O 3.4Å; Y235-S337 WeakPolarHBondContact O-CB 3.28Å; Y235-S337 PolarHBondContact O-OG 2.88Å |
| 236 | L | 85.9 | Confident | 89.8 | Confident | 33 Ų | 33 | 25.9 Ų | 25.9 | 17% | 0.173 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -65.5 | 142.9 | 159.3 | -65.8 | 174.9 | 0 | 0 | 0 | 109.2 | E206 I207 M210 P218 L230 N336 | E206-L236 HydrophobicContact CB-CD1 3.96Å; I207-L236 HydrophobicContact CD1-CD2 3.91Å; I207-L236 HydrophobicContact CG1-CD1 3.95Å; I207-L236 HydrophobicContact CG1-CD2 3.91Å; M210-L236 HydrophobicContact SD-CD1 3.87Å; P218-L236 HydrophobicContact CG-CB 4.14Å; L230-L236 HydrophobicContact CB-CD2 3.99Å; L230-L236 HydrophobicContact CD1-CD2 3.98Å; L230-L236 HydrophobicContact CD1-CG 4.14Å; L230-L236 VanDerWaalsContact CD1-N 3.32Å; L236-N336 HydrophobicContact CD2-CB 4.23Å |
| 237 | G | 88.9 | Confident | 89.8 | Confident | 7 Ų | 7 | 25.9 Ų | 25.9 | 7% | 0.072 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 82.2 | -143.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N239 N336 S337 W338 | G237-N239 PolarHBondContact O-ND2 2.8Å; G237-N336 PolarHBondContact N-O 2.96Å; G237-S337 WeakPolarHBondContact O-CA 3.31Å; G237-W338 PolarHBondContact O-N 2.81Å |
| 238 | E | 91.1 | Very high | 89.8 | Confident | 98 Ų | 98 | 28.3 Ų | 28.3 | 46% | 0.458 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 128.2 | -172.9 | -174.8 | 176.7 | -128.4 | 0 | 0 | 113.3 | L240 W338 T340 | E238-L240 HydrophobicContact CG-CD2 3.86Å; E238-L240 HydrophobicContact CG-CG 4.43Å; E238-W338 HydrophobicContact CB-CZ2 4.17Å; E238-T340 WeakPolarHBondContact OE1-CB 3.15Å; E238-T340 PolarHBondContact OE1-OG1 2.91Å |
| 239 | N | 91.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112.3 | 171.6 | -66.4 | -102.4 | 0 | 0 | 0 | 108.9 | R234 Y235 G237 Y275 S337 W338 V339 T340 | R234-N239 PolarHBondContact N-OD1 2.89Å; R234-N239 VanDerWaalsContact N-OD1 3.14Å; Y235-N239 WeakPolarHBondContact CD2-OD1 3.45Å; Y235-N239 PolarHBondContact N-OD1 3.05Å; Y235-N239 VanDerWaalsContact N-OD1 3.07Å; Y235-N239 PolarHBondContact O-ND2 2.84Å; G237-N239 PolarHBondContact O-ND2 2.8Å; N239-Y275 HydrophobicContact CB-CE1 4.47Å; N239-S337 PolarHBondContact ND2-OG 2.78Å; N239-S337 VanDerWaalsContact ND2-OG 3.15Å; N239-W338 WeakPolarHBondContact CB-O 3.32Å; N239-W338 PolarHBondContact N-O 3.3Å; N239-W338 PolarHBondContact ND2-O 3.46Å; N239-V339 HydrophobicContact CB-CG2 4.34Å; N239-V339 WeakPolarHBondContact O-CA 3.49Å; N239-T340 PolarHBondContact O-N 3.33Å |
| 240 | L | 92.8 | Very high | 89.6 | Confident | 67 Ų | 67 | 36.1 Ų | 36.1 | 35% | 0.351 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.2 | -177 | -62.4 | 176.8 | 0 | 0 | 0 | 111.1 | E238 Y275 K276 T340 | E238-L240 HydrophobicContact CG-CD2 3.86Å; E238-L240 HydrophobicContact CG-CG 4.43Å; L240-Y275 WeakPolarHBondContact O-CA 3.34Å; L240-K276 HydrophobicContact CB-CB 3.98Å; L240-K276 HydrophobicContact CD1-CD 3.92Å; L240-K276 PolarHBondContact O-N 3.12Å; L240-T340 WeakPolarHBondContact CA-O 3.18Å; L240-T340 HydrophobicContact CD2-CG2 4.24Å |
| 241 | M | 93.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.1 | 179.9 | -172.1 | 164.4 | 77.5 | 0 | 0 | 111.1 | I243 M273 F274 Y275 F328 V339 T340 A341 T342 | M241-I243 HydrophobicContact CE-CD1 3.74Å; M241-I243 HydrophobicContact CE-CG1 4.21Å; M241-I243 HydrophobicContact CG-CG1 4.28Å; M241-M273 HydrophobicContact CE-SD 4.03Å; M241-M273 HydrophobicContact CG-CB 4.28Å; M241-M273 HydrophobicContact SD-CB 3.96Å; M241-M273 HydrophobicContact SD-CG 4.17Å; M241-M273 HydrophobicContact SD-SD 3.93Å; M241-F274 CarbonylContact C-O 3.53Å; M241-Y275 HydrophobicContact CB-CD1 4.3Å; M241-Y275 HydrophobicContact CB-CE1 4.19Å; M241-Y275 HydrophobicContact CG-CE1 4.36Å; M241-Y275 HydrophobicContact SD-CE1 4Å; M241-Y275 HydrophobicContact SD-CE2 3.99Å; M241-Y275 VanDerWaalsContact SD-CZ 3.58Å; M241-F328 HydrophobicContact CE-CD1 3.57Å; M241-F328 HydrophobicContact CE-CE1 3.88Å; M241-F328 HydrophobicContact CE-CG 4.35Å; M241-V339 HydrophobicContact CB-CG1 3.68Å; M241-V339 HydrophobicContact CE-CG1 3.84Å; M241-V339 HydrophobicContact SD-CG1 4.19Å; M241-T340 PolarHBondContact N-O 3.28Å; M241-A341 HydrophobicContact CB-CB 4.45Å; M241-A341 HydrophobicContact CE-CB 4.23Å; M241-A341 CarbonylContact O-C 3.6Å; M241-A341 VanDerWaalsContact O-CA 3.26Å; M241-A341 WeakPolarHBondContact O-CA 2.98Å; M241-T342 PolarHBondContact O-N 2.99Å |
| 242 | R | 94.6 | Very high | 89.5 | Confident | 65 Ų | 65 | 42 Ų | 42 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.5 | 178.5 | -66.7 | 171.4 | 151.9 | -177.3 | -1 | 108.7 | F274 L317 T342 Y344 | R242-F274 HydrophobicContact CB-CB 4.46Å; R242-F274 PolarHBondContact N-O 3.26Å; R242-F274 PolarHBondContact O-N 2.84Å; R242-L317 HydrophobicContact CB-CD2 4.4Å; R242-L317 HydrophobicContact CG-CD2 4.4Å; R242-T342 WeakPolarHBondContact CA-O 3.38Å; R242-Y344 HydrophobicContact CB-CE2 4.01Å; R242-Y344 HydrophobicContact CG-CE2 3.97Å |
| 243 | I | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 96.6 | -176 | -50.8 | 179.1 | 0 | 0 | 0 | 108.7 | M241 L271 P272 M273 F328 A341 T342 V343 Y344 L413 | M241-I243 HydrophobicContact CE-CD1 3.74Å; M241-I243 HydrophobicContact CE-CG1 4.21Å; M241-I243 HydrophobicContact CG-CG1 4.28Å; I243-L271 HydrophobicContact CG2-CB 3.95Å; I243-L271 HydrophobicContact CG2-CD1 3.99Å; I243-P272 WeakPolarHBondContact CA-O 3.29Å; I243-P272 WeakPolarHBondContact CG2-O 3.24Å; I243-M273 HydrophobicContact CG1-CG 4.27Å; I243-F328 HydrophobicContact CD1-CE1 4.33Å; I243-F328 HydrophobicContact CD1-CE2 4.46Å; I243-F328 HydrophobicContact CD1-CZ 4.21Å; I243-A341 HydrophobicContact CD1-CB 4.02Å; I243-A341 HydrophobicContact CG1-CB 4.49Å; I243-T342 PolarHBondContact N-O 3.27Å; I243-V343 HydrophobicContact CB-CG2 4.14Å; I243-V343 HydrophobicContact CD1-CG2 4.16Å; I243-V343 CarbonylContact O-C 3.55Å; I243-V343 VanDerWaalsContact O-CA 3.29Å; I243-V343 WeakPolarHBondContact O-CA 3.45Å; I243-Y344 PolarHBondContact O-N 2.93Å; I243-L413 HydrophobicContact CD1-CD2 3.94Å; I243-L413 HydrophobicContact CG2-CD2 4.49Å |
| 244 | P | 96.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 122.9 | 176.9 | 29.7 | -30.2 | 0 | 0 | 0 | 111.2 | I246 P272 F274 F292 L317 I346 | P244-I246 HydrophobicContact CB-CG1 4.3Å; P244-P272 WeakPolarHBondContact CD-O 3.49Å; P244-P272 HydrophobicContact CG-CB 3.96Å; P244-P272 HydrophobicContact CG-CG 3.57Å; P244-P272 WeakPolarHBondContact O-CG 3.43Å; P244-F274 HydrophobicContact CG-CD2 4.21Å; P244-F274 HydrophobicContact CG-CE2 4.04Å; P244-F292 HydrophobicContact CB-CD2 4.3Å; P244-F292 HydrophobicContact CB-CE2 3.62Å; P244-F292 HydrophobicContact CB-CZ 4.3Å; P244-F292 HydrophobicContact CG-CD2 3.68Å; P244-F292 HydrophobicContact CG-CE2 3.4Å; P244-F292 VanDerWaalsContact CG-CE2 3.4Å; P244-F292 HydrophobicContact CG-CZ 4.49Å; P244-L317 HydrophobicContact CB-CD1 4.06Å; P244-I346 HydrophobicContact CB-CD1 4Å |
| 245 | V | 96.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 106.1 | 169.2 | -173.5 | 0 | 0 | 0 | 0 | 107.8 | L247 I256 L271 V343 Y344 L345 I346 I416 A420 | V245-L247 HydrophobicContact CG1-CD2 4.39Å; V245-L247 HydrophobicContact CG1-CG 4.37Å; V245-I256 HydrophobicContact CG1-CD1 3.53Å; V245-I256 HydrophobicContact CG1-CG1 4.28Å; V245-L271 HydrophobicContact CG1-CD2 4.47Å; V245-L271 HydrophobicContact CG2-CD1 4.13Å; V245-L271 HydrophobicContact CG2-CD2 4.13Å; V245-V343 HydrophobicContact CG2-CG1 3.86Å; V245-Y344 PolarHBondContact N-O 3.04Å; V245-L345 HydrophobicContact CB-CD1 4.25Å; V245-L345 HydrophobicContact CG1-CD1 4.24Å; V245-I346 PolarHBondContact O-N 3.47Å; V245-I416 HydrophobicContact CG2-CG2 3.59Å; V245-A420 HydrophobicContact CB-CB 4.31Å; V245-A420 HydrophobicContact CG1-CB 3.6Å |
| 246 | I | 96.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 117.8 | -173.5 | -54.3 | 161.3 | 0 | 0 | 0 | 109 | P244 I256 L257 F296 I346 T348 F354 W370 | P244-I246 HydrophobicContact CB-CG1 4.3Å; I246-I256 WeakPolarHBondContact O-CA 2.99Å; I246-L257 HydrophobicContact CB-CB 4.16Å; I246-L257 HydrophobicContact CD1-CD2 3.9Å; I246-L257 PolarHBondContact O-N 2.55Å; I246-F296 HydrophobicContact CD1-CE1 3.68Å; I246-F296 HydrophobicContact CD1-CE2 4.02Å; I246-F296 HydrophobicContact CD1-CZ 3.35Å; I246-I346 WeakPolarHBondContact CA-O 3.33Å; I246-I346 HydrophobicContact CG1-CB 4.31Å; I246-I346 HydrophobicContact CG1-CD1 4.32Å; I246-T348 HydrophobicContact CG2-CG2 3.86Å; I246-F354 HydrophobicContact CD1-CD1 3.72Å; I246-F354 HydrophobicContact CD1-CE1 3.48Å; I246-F354 VanDerWaalsContact CD1-CE1 3.48Å; I246-F354 HydrophobicContact CD1-CZ 4.25Å; I246-F354 HydrophobicContact CG1-CD1 4.39Å; I246-F354 HydrophobicContact CG1-CE1 4.21Å; I246-F354 HydrophobicContact CG2-CB 4.09Å; I246-F354 HydrophobicContact CG2-CD1 3.96Å; I246-F354 HydrophobicContact CG2-CD2 4.31Å; I246-F354 HydrophobicContact CG2-CG 3.85Å; I246-W370 HydrophobicContact CG2-CH2 3.83Å; I246-W370 HydrophobicContact CG2-CZ3 4.49Å |
| 247 | L | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.1 | -176.3 | -64.3 | -177.3 | 0 | 0 | 0 | 111.8 | V245 K255 I256 L345 I346 F347 T348 A420 L421 S424 | V245-L247 HydrophobicContact CG1-CD2 4.39Å; V245-L247 HydrophobicContact CG1-CG 4.37Å; L247-K255 WeakPolarHBondContact CA-O 3.44Å; L247-I256 HydrophobicContact CD2-CB 3.48Å; L247-I256 VanDerWaalsContact CD2-CB 3.48Å; L247-I256 HydrophobicContact CD2-CD1 3.75Å; L247-I256 HydrophobicContact CD2-CG1 3.66Å; L247-L345 HydrophobicContact CD1-CD1 3.53Å; L247-L345 HydrophobicContact CG-CD1 3.98Å; L247-I346 PolarHBondContact N-O 3.35Å; L247-F347 HydrophobicContact CB-CD1 4.08Å; L247-F347 HydrophobicContact CB-CE1 4.17Å; L247-F347 HydrophobicContact CD1-CE1 4.01Å; L247-F347 HydrophobicContact CD1-CZ 4.4Å; L247-F347 WeakPolarHBondContact O-CA 3.11Å; L247-T348 WeakPolarHBondContact O-CG2 3.49Å; L247-T348 PolarHBondContact O-N 3Å; L247-A420 HydrophobicContact CD1-CB 4.46Å; L247-L421 HydrophobicContact CD2-CD2 3.69Å; L247-L421 HydrophobicContact CD2-CG 4.23Å; L247-S424 WeakPolarHBondContact CD1-OG 3.42Å |
| 248 | R | 92.5 | Very high | 91.7 | Very high | 52 Ų | 52 | 40.2 Ų | 40.2 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146.6 | 167.3 | 70 | -178 | 178.8 | 167.6 | -0.7 | 111.3 | K255 T348 W370 | R248-K255 HydrophobicContact CG-CB 3.77Å; R248-K255 PolarHBondContact N-O 3.05Å; R248-K255 PolarHBondContact O-N 2.94Å; R248-T348 HydrophobicContact CB-CG2 3.84Å; R248-T348 WeakPolarHBondContact CB-OG1 3.16Å; R248-W370 HydrophobicContact CB-CH2 4.21Å; R248-W370 HydrophobicContact CB-CZ3 4.21Å; R248-W370 HydrophobicContact CG-CD2 4.4Å; R248-W370 HydrophobicContact CG-CE3 3.9Å; R248-W370 HydrophobicContact CG-CH2 3.94Å; R248-W370 HydrophobicContact CG-CZ2 4.45Å; R248-W370 HydrophobicContact CG-CZ3 3.65Å; R248-W370 VanDerWaalsContact CZ-CD1 3.48Å; R248-W370 VanDerWaalsContact CZ-CG 3.47Å |
| 249 | K | 86.2 | Confident | 91.7 | Very high | 134 Ų | 134 | 36.1 Ų | 36.1 | 58% | 0.583 | 18% | 0.181 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 134.3 | 168.1 | -168.2 | 168.6 | -176.7 | 169.9 | 0 | 109.4 | G251 | K249-G251 WeakPolarHBondContact CE-O 3.41Å; K249-G251 WeakPolarHBondContact CG-O 3.31Å |
| 250 | H | 86.1 | Confident | 91.4 | Very high | 96 Ų | 96 | 40.1 Ų | 40.1 | 44% | 0.444 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 91.6 | 177.7 | -171.9 | 71.2 | 0 | 0 | 0 | 109.4 | N252 F253 K255 | H250-N252 PolarHBondContact O-N 2.68Å; H250-F253 PolarHBondContact N-O 2.83Å; H250-F253 PolarHBondContact O-N 3.5Å; H250-K255 HydrophobicContact CB-CD 3.92Å; H250-K255 HydrophobicContact CB-CG 4.14Å; H250-K255 VanDerWaalsContact CD2-CE 3.49Å; H250-K255 WeakPolarHBondContact CD2-CE 3.06Å; H250-K255 PolarHBondContact CD2-NZ 2.72Å; H250-K255 PolarHBondContact NE2-NZ 2.75Å |
| 251 | G | 84.6 | Confident | 90.9 | Very high | 60 Ų | 60 | 43.4 Ų | 43.4 | 62% | 0.619 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | -124.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | K249 F253 | K249-G251 WeakPolarHBondContact CE-O 3.41Å; K249-G251 WeakPolarHBondContact CG-O 3.31Å; G251-F253 VanDerWaalsContact C-N 3.31Å |
| 252 | N | 79.1 | Confident | 90.5 | Very high | 117 Ų | 117 | 44 Ų | 44 | 63% | 0.626 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 4.3 | 174.8 | -63.3 | -21.1 | 0 | 0 | 0 | 113 | H250 E375 | H250-N252 PolarHBondContact O-N 2.68Å; N252-E375 WeakPolarHBondContact O-CB 3.26Å |
| 253 | F | 84.2 | Confident | 90.1 | Very high | 87 Ų | 87 | 43.3 Ų | 43.3 | 38% | 0.382 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 154.9 | -178 | -57.2 | -86.1 | 0 | 0 | 0 | 111.1 | H250 G251 L372 | H250-F253 PolarHBondContact N-O 2.83Å; H250-F253 PolarHBondContact O-N 3.5Å; G251-F253 VanDerWaalsContact C-N 3.31Å; F253-L372 HydrophobicContact CB-CD1 3.56Å; F253-L372 HydrophobicContact CB-CG 3.96Å; F253-L372 HydrophobicContact CD1-CD1 4.24Å; F253-L372 HydrophobicContact CD1-CD2 3.8Å; F253-L372 HydrophobicContact CD1-CG 4.18Å; F253-L372 HydrophobicContact CD2-CD1 4.3Å; F253-L372 HydrophobicContact CE1-CD2 4.27Å; F253-L372 HydrophobicContact CG-CD1 3.78Å; F253-L372 HydrophobicContact CG-CD2 4.21Å; F253-L372 HydrophobicContact CG-CG 4.18Å |
| 254 | Y | 88.2 | Confident | 89.4 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 136.1 | 165.6 | -73.9 | -97.8 | 0 | 0 | 0 | 108.6 | F373 L421 S424 T425 | Y254-F373 PolarHBondContact O-N 3.39Å; Y254-F373 VanDerWaalsContact O-N 3.09Å; Y254-L421 HydrophobicContact CG-CD2 4.49Å; Y254-S424 PolarHBondContact OH-O 3.49Å; Y254-T425 HydrophobicContact CD2-CG2 3.92Å; Y254-T425 HydrophobicContact CE2-CG2 3.52Å |
| 255 | K | 93.2 | Very high | 88.6 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 15% | 0.152 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.7 | 168.4 | -66.9 | -178.3 | 174.5 | -178.1 | 0 | 109.9 | L247 R248 H250 W370 E371 L372 | L247-K255 WeakPolarHBondContact CA-O 3.44Å; R248-K255 HydrophobicContact CG-CB 3.77Å; R248-K255 PolarHBondContact N-O 3.05Å; R248-K255 PolarHBondContact O-N 2.94Å; H250-K255 HydrophobicContact CB-CD 3.92Å; H250-K255 HydrophobicContact CB-CG 4.14Å; H250-K255 VanDerWaalsContact CD2-CE 3.49Å; H250-K255 WeakPolarHBondContact CD2-CE 3.06Å; H250-K255 PolarHBondContact CD2-NZ 2.72Å; H250-K255 PolarHBondContact NE2-NZ 2.75Å; K255-W370 HydrophobicContact CB-CB 4.49Å; K255-W370 HydrophobicContact CB-CE3 3.91Å; K255-W370 HydrophobicContact CD-CB 4.22Å; K255-E371 CarbonylContact C-O 3.51Å; K255-E371 WeakPolarHBondContact CA-O 3.5Å; K255-L372 HydrophobicContact CG-CB 4.34Å; K255-L372 HydrophobicContact CG-CD1 4.19Å |
| 256 | I | 95.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.8 | 174.8 | -179 | 162 | 0 | 0 | 0 | 108.8 | V245 I246 L247 L258 E371 F373 A417 L421 | V245-I256 HydrophobicContact CG1-CD1 3.53Å; V245-I256 HydrophobicContact CG1-CG1 4.28Å; I246-I256 WeakPolarHBondContact O-CA 2.99Å; L247-I256 HydrophobicContact CD2-CB 3.48Å; L247-I256 VanDerWaalsContact CD2-CB 3.48Å; L247-I256 HydrophobicContact CD2-CD1 3.75Å; L247-I256 HydrophobicContact CD2-CG1 3.66Å; I256-L258 HydrophobicContact CB-CG 4.42Å; I256-L258 HydrophobicContact CD1-CD2 3.9Å; I256-L258 HydrophobicContact CG1-CD2 3.79Å; I256-L258 HydrophobicContact CG1-CG 4.02Å; I256-L258 HydrophobicContact CG2-CD1 3.66Å; I256-L258 HydrophobicContact CG2-CD2 4.32Å; I256-L258 HydrophobicContact CG2-CG 3.76Å; I256-L258 PolarHBondContact O-N 3.27Å; I256-E371 HydrophobicContact CG2-CB 4.15Å; I256-E371 PolarHBondContact N-O 3.22Å; I256-E371 PolarHBondContact O-N 3.14Å; I256-F373 HydrophobicContact CG2-CD2 3.63Å; I256-F373 HydrophobicContact CG2-CE2 3.37Å; I256-F373 HydrophobicContact CG2-CZ 4.46Å; I256-A417 HydrophobicContact CD1-CB 3.61Å; I256-L421 HydrophobicContact CB-CD2 4.44Å; I256-L421 HydrophobicContact CG2-CD1 4.26Å |
| 257 | L | 95.8 | Very high | 87.4 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 112.6 | 175.9 | -165.2 | 76.2 | 0 | 0 | 0 | 109.5 | I246 F296 I357 L359 Y368 E369 W370 | I246-L257 HydrophobicContact CB-CB 4.16Å; I246-L257 HydrophobicContact CD1-CD2 3.9Å; I246-L257 PolarHBondContact O-N 2.55Å; L257-F296 HydrophobicContact CD2-CE1 3.66Å; L257-F296 HydrophobicContact CD2-CZ 4Å; L257-I357 HydrophobicContact CD2-CD1 4.47Å; L257-L359 HydrophobicContact CD1-CD1 3.6Å; L257-L359 HydrophobicContact CD1-CD2 4.11Å; L257-Y368 HydrophobicContact CD2-CD1 4.45Å; L257-Y368 HydrophobicContact CD2-CG 4.09Å; L257-Y368 HydrophobicContact CG-CD1 4.29Å; L257-Y368 HydrophobicContact CG-CG 4.16Å; L257-E369 WeakPolarHBondContact CA-O 3.5Å; L257-W370 HydrophobicContact CB-CE3 4.15Å; L257-W370 HydrophobicContact CB-CH2 4.32Å; L257-W370 HydrophobicContact CB-CZ3 3.99Å; L257-W370 HydrophobicContact CD1-CD2 3.88Å; L257-W370 HydrophobicContact CD1-CE3 4.25Å; L257-W370 HydrophobicContact CD1-CG 4.21Å; L257-W370 HydrophobicContact CD1-CZ2 4.28Å |
| 258 | L | 95.5 | Very high | 87 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 169.3 | -176.7 | -59.4 | 178.1 | 0 | 0 | 0 | 112.2 | F45 I256 P270 L271 Y368 E369 E371 F373 A417 | F45-L258 HydrophobicContact CD1-CD1 4.32Å; F45-L258 HydrophobicContact CD2-CD1 4.35Å; F45-L258 HydrophobicContact CE1-CB 3.96Å; F45-L258 HydrophobicContact CE1-CD1 4Å; F45-L258 HydrophobicContact CE2-CD1 4.06Å; F45-L258 HydrophobicContact CZ-CB 4.42Å; F45-L258 HydrophobicContact CZ-CD1 3.9Å; I256-L258 HydrophobicContact CB-CG 4.42Å; I256-L258 HydrophobicContact CD1-CD2 3.9Å; I256-L258 HydrophobicContact CG1-CD2 3.79Å; I256-L258 HydrophobicContact CG1-CG 4.02Å; I256-L258 HydrophobicContact CG2-CD1 3.66Å; I256-L258 HydrophobicContact CG2-CD2 4.32Å; I256-L258 HydrophobicContact CG2-CG 3.76Å; I256-L258 PolarHBondContact O-N 3.27Å; L258-P270 CarbonylContact C-O 3.47Å; L258-P270 WeakPolarHBondContact CA-O 3.4Å; L258-P270 HydrophobicContact CB-CB 4.5Å; L258-P270 HydrophobicContact CD2-CB 4.24Å; L258-P270 WeakPolarHBondContact CD2-O 3.1Å; L258-L271 HydrophobicContact CD2-CD2 3.69Å; L258-L271 HydrophobicContact CD2-CG 4.37Å; L258-Y368 CarbonylContact O-C 3.56Å; L258-Y368 WeakPolarHBondContact O-CA 3.28Å; L258-E369 PolarHBondContact N-O 3.07Å; L258-E369 PolarHBondContact O-N 2.76Å; L258-E371 HydrophobicContact CB-CG 3.84Å; L258-E371 HydrophobicContact CD1-CB 3.99Å; L258-E371 HydrophobicContact CD1-CG 4.01Å; L258-E371 HydrophobicContact CG-CB 4.37Å; L258-E371 HydrophobicContact CG-CG 4.22Å; L258-F373 HydrophobicContact CD1-CE2 3.94Å; L258-F373 HydrophobicContact CD1-CZ 4.17Å; L258-A417 HydrophobicContact CD2-CB 4.18Å |
| 259 | V | 91.5 | Very high | 86.8 | Confident | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125 | 169.7 | -172.1 | 0 | 0 | 0 | 0 | 108.9 | F45 Y262 P270 L366 Y368 | F45-V259 WeakPolarHBondContact CD1-O 3.48Å; V259-Y262 WeakPolarHBondContact O-CD1 3.45Å; V259-P270 PolarHBondContact N-O 3.28Å; V259-L366 WeakPolarHBondContact CG1-O 3.32Å; V259-L366 WeakPolarHBondContact CG2-O 3.18Å; V259-Y368 HydrophobicContact CG2-CD1 3.36Å; V259-Y368 HydrophobicContact CG2-CE1 3.2Å; V259-Y368 HydrophobicContact CG2-CG 4.28Å |
| 260 | R | 85.7 | Confident | 87.1 | Confident | 87 Ų | 87 | 51.7 Ų | 51.7 | 33% | 0.328 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -81.2 | -47.6 | 172.9 | -70.8 | -176.4 | -177.8 | -136.2 | 4.8 | 112 | D44 F45 Y262 E371 | D44-R260 IonicContact OD2-CZ 3.7Å; D44-R260 IonicContact OD2-NH1 2.81Å; D44-R260 PolarHBondContact OD2-NH1 2.72Å; F45-R260 HydrophobicContact CE1-CB 4.35Å; F45-R260 HydrophobicContact CE1-CG 3.64Å; F45-R260 HydrophobicContact CZ-CG 3.9Å; R260-Y262 PolarHBondContact O-N 3.22Å; R260-E371 IonicContact CZ-OE1 3.48Å; R260-E371 IonicContact CZ-OE2 3.4Å; R260-E371 VanDerWaalsContact NE-CD 3.31Å; R260-E371 IonicContact NE-OE1 3.94Å; R260-E371 PolarHBondContact NE-OE1 2.96Å; R260-E371 IonicContact NE-OE2 2.65Å; R260-E371 PolarHBondContact NE-OE2 2.76Å; R260-E371 IonicContact NH2-OE1 3.36Å; R260-E371 PolarHBondContact NH2-OE1 2.89Å; R260-E371 IonicContact NH2-OE2 2.68Å; R260-E371 PolarHBondContact NH2-OE2 3.47Å |
| 261 | D | 83.3 | Confident | 87.5 | Confident | 135 Ų | 135 | 47.2 Ų | 47.2 | 72% | 0.722 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -97.8 | 44.6 | -169.8 | -62.8 | -34.8 | 0 | 0 | 0 | 113.2 | ||
| 262 | Y | 85.4 | Confident | 87.7 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | trans | -74.1 | 152.8 | 173.9 | 66.2 | -90.1 | 0 | 0 | 0 | 111.1 | F45 V259 R260 R264 E268 P270 | F45-Y262 PolarHBondContact O-OH 3.07Å; V259-Y262 WeakPolarHBondContact O-CD1 3.45Å; R260-Y262 PolarHBondContact O-N 3.22Å; Y262-R264 HydrophobicContact CD2-CG 4.15Å; Y262-R264 HydrophobicContact CE2-CB 4.36Å; Y262-R264 HydrophobicContact CE2-CG 3.67Å; Y262-R264 PolarHBondContact O-N 3.09Å; Y262-E268 HydrophobicContact CD2-CB 4.24Å; Y262-P270 HydrophobicContact CE1-CB 4.32Å | ||
| 263 | D | 84.9 | Confident | 88.3 | Confident | 51 Ų | 51 | 40.7 Ų | 40.7 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | trans | -73.1 | 98.5 | 179 | -171 | -16 | 0 | 0 | 0 | 110.3 | N265 K266 E268 | D263-N265 PolarHBondContact O-N 3.02Å; D263-N265 VanDerWaalsContact O-N 3.08Å; D263-N265 WeakPolarHBondContact OD1-CB 3.47Å; D263-N265 PolarHBondContact OD1-N 3.38Å; D263-K266 HydrophobicContact CB-CB 4.18Å; D263-K266 HydrophobicContact CB-CD 4.04Å; D263-K266 HydrophobicContact CB-CG 4.16Å; D263-K266 PolarHBondContact O-N 3.23Å; D263-K266 VanDerWaalsContact OD2-CD 3.26Å; D263-K266 WeakPolarHBondContact OD2-CD 3.47Å; D263-K266 WeakPolarHBondContact OD2-CE 3.44Å; D263-K266 WeakPolarHBondContact OD2-CG 3.44Å; D263-K266 IonicContact OD2-NZ 3.58Å; D263-K266 PolarHBondContact OD2-NZ 3.16Å; D263-E268 PolarHBondContact N-OE2 3.34Å | ||
| 264 | R | 82.3 | Confident | 88.6 | Confident | 72 Ų | 72 | 37.2 Ų | 37.2 | 27% | 0.272 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -8.6 | 179.7 | -59.5 | -178.7 | -178.7 | 94.8 | 1.5 | 114.1 | D44 L46 K48 Y262 I406 | D44-R264 PolarHBondContact O-NH2 2.66Å; L46-R264 PolarHBondContact O-NE 3.33Å; L46-R264 VanDerWaalsContact O-NE 3.09Å; K48-R264 HydrophobicContact CD-CB 4.13Å; K48-R264 HydrophobicContact CG-CB 3.72Å; K48-R264 HydrophobicContact CG-CG 4.42Å; Y262-R264 HydrophobicContact CD2-CG 4.15Å; Y262-R264 HydrophobicContact CE2-CB 4.36Å; Y262-R264 HydrophobicContact CE2-CG 3.67Å; Y262-R264 PolarHBondContact O-N 3.09Å; R264-I406 WeakPolarHBondContact O-CG2 3.3Å |
| 265 | N | 78.9 | Confident | 88.6 | Confident | 81 Ų | 81 | 38.1 Ų | 38.1 | 43% | 0.433 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -4.8 | 171.4 | -70.6 | -15.6 | 0 | 0 | 0 | 112.9 | K48 D263 I406 | K48-N265 WeakPolarHBondContact CD-OD1 3.48Å; K48-N265 WeakPolarHBondContact CE-OD1 3.28Å; K48-N265 PolarHBondContact NZ-ND2 2.94Å; K48-N265 PolarHBondContact NZ-OD1 3.27Å; D263-N265 PolarHBondContact O-N 3.02Å; D263-N265 VanDerWaalsContact O-N 3.08Å; D263-N265 WeakPolarHBondContact OD1-CB 3.47Å; D263-N265 PolarHBondContact OD1-N 3.38Å; N265-I406 WeakPolarHBondContact O-CD1 3.33Å |
| 266 | K | 82.8 | Confident | 88.2 | Confident | 112 Ų | 112 | 41.9 Ų | 41.9 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -112.6 | 168.4 | -179.9 | -67.7 | -177.9 | -178.1 | 130.1 | 0 | 110.3 | D263 E268 I406 | D263-K266 HydrophobicContact CB-CB 4.18Å; D263-K266 HydrophobicContact CB-CD 4.04Å; D263-K266 HydrophobicContact CB-CG 4.16Å; D263-K266 PolarHBondContact O-N 3.23Å; D263-K266 VanDerWaalsContact OD2-CD 3.26Å; D263-K266 WeakPolarHBondContact OD2-CD 3.47Å; D263-K266 WeakPolarHBondContact OD2-CE 3.44Å; D263-K266 WeakPolarHBondContact OD2-CG 3.44Å; D263-K266 IonicContact OD2-NZ 3.58Å; D263-K266 PolarHBondContact OD2-NZ 3.16Å; K266-E268 HydrophobicContact CB-CG 3.98Å; K266-E268 PolarHBondContact O-N 3.24Å; K266-I406 WeakPolarHBondContact O-CG2 3.48Å |
| 267 | A | 85.3 | Confident | 87 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 19% | 0.19 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -73.2 | 59.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | H330 P331 Q332 F409 | A267-H330 VanDerWaalsContact CB-CE1 3.42Å; A267-H330 WeakPolarHBondContact CB-CE1 3.04Å; A267-P331 HydrophobicContact CB-CB 4.21Å; A267-P331 HydrophobicContact CB-CG 3.94Å; A267-Q332 HydrophobicContact CB-CG 4.44Å; A267-F409 VanDerWaalsContact C-CE1 3.47Å; A267-F409 HydrophobicContact CB-CE1 4.34Å |
| 268 | E | 86.2 | Confident | 85.4 | Confident | 68 Ų | 68 | 47.9 Ų | 47.9 | 32% | 0.318 | 23% | 0.232 | S | C | . | . | trans | -121 | 169.5 | 176.9 | -63.8 | -176 | -176.1 | 0 | 0 | 109 | Y262 D263 K266 | Y262-E268 HydrophobicContact CD2-CB 4.24Å; D263-E268 PolarHBondContact N-OE2 3.34Å; K266-E268 HydrophobicContact CB-CG 3.98Å; K266-E268 PolarHBondContact O-N 3.24Å | ||
| 269 | G | 88.4 | Confident | 83.6 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | trans | -171.7 | -174.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L271 | G269-L271 PolarHBondContact O-N 3.2Š| ||
| 270 | P | 92.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -71.6 | -14.5 | -172.3 | 30.5 | -38.2 | 0 | 0 | 0 | 113.1 | F45 L258 V259 Y262 L413 L414 | F45-P270 HydrophobicContact CB-CB 4.2Å; F45-P270 HydrophobicContact CB-CG 4.45Å; F45-P270 HydrophobicContact CD1-CB 3.79Å; F45-P270 HydrophobicContact CG-CB 4.26Å; L258-P270 CarbonylContact C-O 3.47Å; L258-P270 WeakPolarHBondContact CA-O 3.4Å; L258-P270 HydrophobicContact CB-CB 4.5Å; L258-P270 HydrophobicContact CD2-CB 4.24Å; L258-P270 WeakPolarHBondContact CD2-O 3.1Å; V259-P270 PolarHBondContact N-O 3.28Å; Y262-P270 HydrophobicContact CE1-CB 4.32Å; P270-L413 HydrophobicContact CG-CB 4.24Å; P270-L414 HydrophobicContact CG-CB 4.39Å |
| 271 | L | 94.2 | Very high | 80.2 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -103.8 | 146.2 | -177.9 | -71.9 | 174.7 | 0 | 0 | 0 | 112.5 | I243 V245 L258 G269 L413 I416 A417 | I243-L271 HydrophobicContact CG2-CB 3.95Å; I243-L271 HydrophobicContact CG2-CD1 3.99Å; V245-L271 HydrophobicContact CG1-CD2 4.47Å; V245-L271 HydrophobicContact CG2-CD1 4.13Å; V245-L271 HydrophobicContact CG2-CD2 4.13Å; L258-L271 HydrophobicContact CD2-CD2 3.69Å; L258-L271 HydrophobicContact CD2-CG 4.37Å; G269-L271 PolarHBondContact O-N 3.2Å; L271-L413 HydrophobicContact CB-CD2 4.35Å; L271-L413 HydrophobicContact CD1-CB 4.35Å; L271-L413 HydrophobicContact CD1-CD2 4.35Å; L271-L413 WeakPolarHBondContact CD1-O 3.44Å; L271-I416 HydrophobicContact CD1-CB 3.79Å; L271-I416 HydrophobicContact CD1-CG2 3.54Å; L271-A417 HydrophobicContact CD1-CB 4.42Å; L271-A417 HydrophobicContact CD2-CB 4.25Å; L271-A417 HydrophobicContact CG-CB 4.46Å |
| 272 | P | 88.7 | Confident | 78.7 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | trans | -59.9 | 140.7 | 171.2 | 21.5 | -32 | 0 | 0 | 0 | 113.3 | I243 P244 F274 Y368 | I243-P272 WeakPolarHBondContact CA-O 3.29Å; I243-P272 WeakPolarHBondContact CG2-O 3.24Å; P244-P272 WeakPolarHBondContact CD-O 3.49Å; P244-P272 HydrophobicContact CG-CB 3.96Å; P244-P272 HydrophobicContact CG-CG 3.57Å; P244-P272 WeakPolarHBondContact O-CG 3.43Å; P272-F274 HydrophobicContact CB-CD2 4.36Å; P272-F274 HydrophobicContact CB-CE2 3.65Å; P272-F274 HydrophobicContact CB-CZ 4.38Å; P272-Y368 WeakPolarHBondContact CA-OH 3.2Å; P272-Y368 HydrophobicContact CB-CE1 3.85Å; P272-Y368 HydrophobicContact CB-CE2 4.42Å; P272-Y368 WeakPolarHBondContact CB-OH 3.42Å; P272-Y368 HydrophobicContact CG-CE1 4.16Å | ||
| 273 | M | 91.4 | Very high | 77 | Confident | 38 Ų | 38 | 69 Ų | 69 | 19% | 0.187 | 34% | 0.34 | C | S | . | . | trans | -136.6 | 114.6 | 178.8 | -63 | -177.5 | -72.7 | 0 | 0 | 111.4 | M241 I243 F409 L413 | M241-M273 HydrophobicContact CE-SD 4.03Å; M241-M273 HydrophobicContact CG-CB 4.28Å; M241-M273 HydrophobicContact SD-CB 3.96Å; M241-M273 HydrophobicContact SD-CG 4.17Å; M241-M273 HydrophobicContact SD-SD 3.93Å; I243-M273 HydrophobicContact CG1-CG 4.27Å; M273-F409 HydrophobicContact CE-CE1 3.93Å; M273-F409 HydrophobicContact CE-CZ 3.95Å; M273-F409 HydrophobicContact SD-CE1 4Å; M273-F409 HydrophobicContact SD-CE2 4.47Å; M273-F409 HydrophobicContact SD-CZ 3.46Å; M273-F409 WeakPolarHBondContact SD-CZ 3.45Å; M273-L413 HydrophobicContact CE-CD1 4.12Å; M273-L413 HydrophobicContact SD-CD1 3.86Å; M273-L413 HydrophobicContact SD-CD2 4.27Å | ||
| 274 | F | 91.3 | Very high | 75.2 | Confident | 14 Ų | 14 | 73.9 Ų | 73.9 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.8 | -179 | -61.6 | -85.3 | 0 | 0 | 0 | 110.5 | M241 R242 P244 P272 F292 Y295 F296 | M241-F274 CarbonylContact C-O 3.53Å; R242-F274 HydrophobicContact CB-CB 4.46Å; R242-F274 PolarHBondContact N-O 3.26Å; R242-F274 PolarHBondContact O-N 2.84Å; P244-F274 HydrophobicContact CG-CD2 4.21Å; P244-F274 HydrophobicContact CG-CE2 4.04Å; P272-F274 HydrophobicContact CB-CD2 4.36Å; P272-F274 HydrophobicContact CB-CE2 3.65Å; P272-F274 HydrophobicContact CB-CZ 4.38Å; F274-F292 HydrophobicContact CB-CB 4.35Å; F274-F292 HydrophobicContact CD1-CB 4.24Å; F274-F292 HydrophobicContact CD2-CB 3.97Å; F274-F292 AromaticContact CD2-CD2 3.81Å; F274-F292 HydrophobicContact CD2-CD2 3.81Å; F274-F292 HydrophobicContact CD2-CG 4.4Å; F274-F292 HydrophobicContact CE2-CB 4.3Å; F274-F292 AromaticContact CE2-CD2 3.6Å; F274-F292 HydrophobicContact CE2-CD2 3.6Å; F274-F292 HydrophobicContact CE2-CE2 4.47Å; F274-F292 HydrophobicContact CE2-CG 4.44Å; F274-F292 HydrophobicContact CG-CB 3.92Å; F274-F292 HydrophobicContact CZ-CD2 4.24Å; F274-Y295 HydrophobicContact CE1-CD1 4.25Å; F274-Y295 HydrophobicContact CE1-CG 4.05Å; F274-Y295 AromaticContact CZ-CD1 3.78Å; F274-Y295 HydrophobicContact CZ-CD1 3.78Å; F274-Y295 HydrophobicContact CZ-CG 4.07Å; F274-F296 AromaticContact CE2-CE2 3.96Å; F274-F296 HydrophobicContact CE2-CE2 3.96Å; F274-F296 HydrophobicContact CZ-CD2 4.46Å; F274-F296 AromaticContact CZ-CE2 3.99Å; F274-F296 HydrophobicContact CZ-CE2 3.99Å |
| 275 | Y | 88.3 | Confident | 73.5 | Confident | 48 Ų | 48 | 79.9 Ų | 79.9 | 19% | 0.188 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 134.7 | 174.4 | -71.3 | -92.2 | 0 | 0 | 0 | 110.3 | R234 N239 L240 M241 N277 H330 V339 | R234-Y275 VanDerWaalsContact CZ-CB 3.43Å; N239-Y275 HydrophobicContact CB-CE1 4.47Å; L240-Y275 WeakPolarHBondContact O-CA 3.34Å; M241-Y275 HydrophobicContact CB-CD1 4.3Å; M241-Y275 HydrophobicContact CB-CE1 4.19Å; M241-Y275 HydrophobicContact CG-CE1 4.36Å; M241-Y275 HydrophobicContact SD-CE1 4Å; M241-Y275 HydrophobicContact SD-CE2 3.99Å; M241-Y275 VanDerWaalsContact SD-CZ 3.58Å; Y275-N277 PolarHBondContact O-N 2.93Å; Y275-H330 PolarHBondContact OH-NE2 3.31Å; Y275-V339 HydrophobicContact CE1-CG2 4.42Å |
| 276 | K | 83.4 | Confident | 71.9 | Confident | 113 Ų | 113 | 81.8 Ų | 81.8 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 134 | 174.4 | -165.9 | 179.7 | -179.8 | 176.7 | 0 | 109.5 | L240 | L240-K276 HydrophobicContact CB-CB 3.98Å; L240-K276 HydrophobicContact CD1-CD 3.92Å; L240-K276 PolarHBondContact O-N 3.12Å |
| 277 | N | 71.4 | Confident | 70.3 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 48% | 0.476 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 143.4 | 171.9 | -74.9 | -28.3 | 0 | 0 | 0 | 110.6 | Y275 | Y275-N277 PolarHBondContact O-N 2.93Š|
| 278 | P | 60.7 | Low | 68.7 | Low | 39 Ų | 39 | 84.7 Ų | 84.7 | 25% | 0.253 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 161.9 | -178.9 | 32.9 | -33.3 | 0 | 0 | 0 | 110 | Y235 V283 | Y235-P278 HydrophobicContact CE1-CB 3.71Å; Y235-P278 HydrophobicContact CE1-CG 3.84Å; Y235-P278 HydrophobicContact CE2-CB 4.02Å; Y235-P278 HydrophobicContact CE2-CG 4.45Å; Y235-P278 VanDerWaalsContact CZ-CB 3.45Å; Y235-P278 WeakPolarHBondContact OH-CD 3.33Å; Y235-P278 WeakPolarHBondContact OH-CG 3.45Å; P278-V283 HydrophobicContact CB-CG2 4.35Å; P278-V283 HydrophobicContact CG-CG2 3.39Å |
| 279 | K | 59.3 | Low | 67.9 | Low | 178 Ų | 178 | 86.7 Ų | 86.7 | 77% | 0.774 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 143.9 | 157.9 | -66 | -175.3 | 179.6 | -177.3 | 0 | 108 | H281 | K279-H281 PolarHBondContact O-N 3.36Š|
| 280 | P | 53.2 | Low | 67.4 | Low | 108 Ų | 108 | 89.9 Ų | 89.9 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -18.1 | -162.4 | -12.5 | 5 | 0 | 0 | 0 | 117.4 | ||
| 281 | H | 51.4 | Low | 67.3 | Low | 172 Ų | 172 | 90.8 Ų | 90.8 | 80% | 0.796 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 17.2 | -166.7 | -45.1 | -59.4 | 0 | 0 | 0 | 115.4 | K279 | K279-H281 PolarHBondContact O-N 3.36Š|
| 282 | K | 52.6 | Low | 67.2 | Low | 157 Ų | 157 | 90.8 Ų | 90.8 | 68% | 0.683 | 45% | 0.448 | S | S | * | . | trans | -133.6 | 26 | -172.4 | -68.7 | -164.8 | 174 | -168.8 | 0 | 116.3 | Y235 | Y235-K282 HydrophobicContact CD1-CB 4.3Å; Y235-K282 WeakPolarHBondContact CD1-O 3.38Å; Y235-K282 VanDerWaalsContact CE1-O 3.22Å; Y235-K282 WeakPolarHBondContact CE1-O 3.4Å | ||
| 283 | V | 50.4 | Low | 67.5 | Low | 78 Ų | 78 | 92.6 Ų | 92.6 | 47% | 0.473 | 46% | 0.456 | S | S | . | . | trans | -112.4 | 125.9 | -168.7 | -155.1 | 0 | 0 | 0 | 0 | 113 | P278 R285 | P278-V283 HydrophobicContact CB-CG2 4.35Å; P278-V283 HydrophobicContact CG-CG2 3.39Å; V283-R285 WeakPolarHBondContact CG1-O 3.26Å | ||
| 284 | R | 45.2 | Very low | 67.6 | Low | 152 Ų | 152 | 94.4 Ų | 94.4 | 57% | 0.574 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -112.3 | -7.3 | 172.5 | -141.9 | 175.2 | -175.5 | -176.9 | 8.2 | 114.8 | E206 | E206-R284 WeakPolarHBondContact OE1-CD 3.42Å; E206-R284 IonicContact OE1-CZ 3.6Å; E206-R284 IonicContact OE1-NE 3.3Å; E206-R284 IonicContact OE1-NH1 2.89Å; E206-R284 PolarHBondContact OE1-NH1 2.88Å; E206-R284 IonicContact OE2-NH1 2.77Å; E206-R284 PolarHBondContact OE2-NH1 3.42Å |
| 285 | R | 47.6 | Very low | 67.8 | Low | 199 Ų | 199 | 93.8 Ų | 93.8 | 75% | 0.751 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -136.7 | 119 | 170.2 | -69.4 | -175.2 | 179.9 | 170.2 | 0.6 | 110.1 | V283 V287 | V283-R285 WeakPolarHBondContact CG1-O 3.26Å; R285-V287 PolarHBondContact O-N 3.36Å |
| 286 | P | 45.3 | Very low | 68.1 | Low | 121 Ų | 121 | 91.5 Ų | 91.5 | 79% | 0.786 | 45% | 0.452 | S | S | * | . | trans | -73.2 | 100.3 | 169.2 | 30.1 | -28 | 0 | 0 | 0 | 107.1 | ||||
| 287 | V | 48.9 | Very low | 68.7 | Low | 82 Ų | 82 | 88 Ų | 88 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | trans | -123.2 | 88 | 155.6 | -167.6 | 0 | 0 | 0 | 0 | 105.9 | R285 K289 | R285-V287 PolarHBondContact O-N 3.36Å; V287-K289 HydrophobicContact CG1-CG 3.89Å; V287-K289 PolarHBondContact O-N 3.17Å | ||
| 288 | P | 51.6 | Low | 69.9 | Low | 114 Ų | 114 | 85.4 Ų | 85.4 | 74% | 0.74 | 43% | 0.428 | S | S | * | . | trans | -69.5 | 84.3 | 162.9 | 29.8 | -25.9 | 0 | 0 | 0 | 106 | ||||
| 289 | K | 70 | Confident | 71.6 | Confident | 109 Ų | 109 | 83.6 Ų | 83.6 | 47% | 0.474 | 42% | 0.416 | S | S | . | . | trans | -67.2 | 129.4 | 152.8 | -73.3 | -165.8 | 175 | -173.1 | 0 | 105.1 | V287 | V287-K289 HydrophobicContact CG1-CG 3.89Å; V287-K289 PolarHBondContact O-N 3.17Å | ||
| 290 | E | 78.5 | Confident | 73.4 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | trans | -45.7 | 141.9 | 175.6 | -67.6 | 174.9 | 154.2 | 0 | 0 | 110.1 | E294 Y365 | E290-E294 HydrophobicContact CB-CB 3.93Å; E290-E294 HydrophobicContact CG-CB 4.46Å; E290-Y365 WeakPolarHBondContact OE2-CE1 3.35Å; E290-Y365 PolarHBondContact OE2-OH 2.77Å | ||
| 291 | S | 89 | Confident | 75.5 | Confident | 19 Ų | 19 | 74 Ų | 74 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | trans | -65.3 | 165.9 | 171.3 | 71.5 | 0 | 0 | 0 | 0 | 110.7 | E293 E294 Y295 | S291-E293 VanDerWaalsContact C-N 3.3Å; S291-E293 VanDerWaalsContact CB-OE1 3.29Å; S291-E293 WeakPolarHBondContact CB-OE1 3.48Å; S291-E293 PolarHBondContact O-N 3.43Å; S291-E293 WeakPolarHBondContact OG-CG 3.22Å; S291-E293 PolarHBondContact OG-OE1 3.11Å; S291-E293 PolarHBondContact OG-OE2 3.45Å; S291-E294 PolarHBondContact N-OE2 2.8Å; S291-E294 PolarHBondContact O-N 3.15Å; S291-E294 VanDerWaalsContact O-N 3.14Å; S291-E294 VanDerWaalsContact OG-CG 3.27Å; S291-E294 WeakPolarHBondContact OG-CG 3.44Å; S291-E294 PolarHBondContact OG-N 2.88Å; S291-E294 PolarHBondContact OG-OE2 3.43Å; S291-Y295 WeakPolarHBondContact O-CB 3.38Å; S291-Y295 PolarHBondContact O-N 3.05Å | ||
| 292 | F | 93.1 | Very high | 77.5 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 1% | 0.013 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -50.5 | -50.5 | 176.9 | 167.9 | -98.6 | 0 | 0 | 0 | 112 | P244 F274 E294 Y295 F296 F313 L317 I346 F354 | P244-F292 HydrophobicContact CB-CD2 4.3Å; P244-F292 HydrophobicContact CB-CE2 3.62Å; P244-F292 HydrophobicContact CB-CZ 4.3Å; P244-F292 HydrophobicContact CG-CD2 3.68Å; P244-F292 HydrophobicContact CG-CE2 3.4Å; P244-F292 VanDerWaalsContact CG-CE2 3.4Å; P244-F292 HydrophobicContact CG-CZ 4.49Å; F274-F292 HydrophobicContact CB-CB 4.35Å; F274-F292 HydrophobicContact CD1-CB 4.24Å; F274-F292 HydrophobicContact CD2-CB 3.97Å; F274-F292 AromaticContact CD2-CD2 3.81Å; F274-F292 HydrophobicContact CD2-CD2 3.81Å; F274-F292 HydrophobicContact CD2-CG 4.4Å; F274-F292 HydrophobicContact CE2-CB 4.3Å; F274-F292 AromaticContact CE2-CD2 3.6Å; F274-F292 HydrophobicContact CE2-CD2 3.6Å; F274-F292 HydrophobicContact CE2-CE2 4.47Å; F274-F292 HydrophobicContact CE2-CG 4.44Å; F274-F292 HydrophobicContact CG-CB 3.92Å; F274-F292 HydrophobicContact CZ-CD2 4.24Å; F292-E294 VanDerWaalsContact C-N 3.35Å; F292-E294 PolarHBondContact O-N 2.87Å; F292-Y295 PolarHBondContact O-N 3.49Å; F292-F296 AromaticContact CD2-CD2 3.5Å; F292-F296 HydrophobicContact CD2-CD2 3.5Å; F292-F296 AromaticContact CD2-CE2 3.51Å; F292-F296 HydrophobicContact CD2-CE2 3.51Å; F292-F296 AromaticContact CE2-CD2 3.3Å; F292-F296 HydrophobicContact CE2-CD2 3.3Å; F292-F296 AromaticContact CE2-CE2 3.22Å; F292-F296 HydrophobicContact CE2-CE2 3.22Å; F292-F296 HydrophobicContact CE2-CG 4.44Å; F292-F296 HydrophobicContact CE2-CZ 4.3Å; F292-F296 HydrophobicContact CG-CD2 4.24Å; F292-F296 AromaticContact CZ-CD2 3.9Å; F292-F296 HydrophobicContact CZ-CD2 3.9Å; F292-F296 HydrophobicContact CZ-CE2 4.15Å; F292-F296 WeakPolarHBondContact O-CD2 3.21Å; F292-F296 PolarHBondContact O-N 3.5Å; F292-F296 VanDerWaalsContact O-N 3.09Å; F292-F313 HydrophobicContact CE1-CB 4.14Å; F292-F313 VanDerWaalsContact CE1-O 3.29Å; F292-F313 WeakPolarHBondContact CE1-O 3.39Å; F292-L317 HydrophobicContact CD1-CB 4.12Å; F292-L317 HydrophobicContact CD1-CD1 4.37Å; F292-L317 HydrophobicContact CD1-CD2 4.13Å; F292-L317 HydrophobicContact CD1-CG 4.45Å; F292-L317 HydrophobicContact CD2-CD1 4.49Å; F292-L317 HydrophobicContact CE1-CB 3.85Å; F292-L317 HydrophobicContact CE1-CD1 4.11Å; F292-L317 HydrophobicContact CE1-CG 4.41Å; F292-L317 HydrophobicContact CE2-CD1 4.25Å; F292-L317 HydrophobicContact CG-CD2 4.32Å; F292-L317 HydrophobicContact CZ-CB 4.49Å; F292-L317 HydrophobicContact CZ-CD1 4.02Å; F292-I346 HydrophobicContact CZ-CD1 3.97Å; F292-F354 HydrophobicContact CZ-CE1 4.2Å; F292-F354 AromaticContact CZ-CZ 3.79Å; F292-F354 HydrophobicContact CZ-CZ 3.79Å |
| 293 | E | 94.6 | Very high | 79.5 | Confident | 39 Ų | 39 | 69.4 Ų | 69.4 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.6 | -31.6 | -179.1 | 61.2 | -78.6 | 178.2 | 0 | 0 | 113.3 | S291 H297 K310 F313 R314 | S291-E293 VanDerWaalsContact C-N 3.3Å; S291-E293 VanDerWaalsContact CB-OE1 3.29Å; S291-E293 WeakPolarHBondContact CB-OE1 3.48Å; S291-E293 PolarHBondContact O-N 3.43Å; S291-E293 WeakPolarHBondContact OG-CG 3.22Å; S291-E293 PolarHBondContact OG-OE1 3.11Å; S291-E293 PolarHBondContact OG-OE2 3.45Å; E293-H297 WeakPolarHBondContact O-CB 3.3Å; E293-H297 PolarHBondContact O-N 3.3Å; E293-H297 VanDerWaalsContact O-N 3.13Å; E293-K310 HydrophobicContact CB-CB 4.39Å; E293-K310 WeakPolarHBondContact CB-O 3.32Å; E293-K310 HydrophobicContact CG-CB 4.44Å; E293-F313 HydrophobicContact CB-CB 3.92Å; E293-R314 HydrophobicContact CB-CB 4.25Å; E293-R314 HydrophobicContact CG-CB 4.39Å |
| 294 | E | 93.9 | Very high | 81.7 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 36% | 0.355 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.9 | -49.4 | 175.3 | -73.1 | 176.8 | 153.5 | 0 | 0 | 111.2 | E290 S291 F292 H297 A298 K310 | E290-E294 HydrophobicContact CB-CB 3.93Å; E290-E294 HydrophobicContact CG-CB 4.46Å; S291-E294 PolarHBondContact N-OE2 2.8Å; S291-E294 PolarHBondContact O-N 3.15Å; S291-E294 VanDerWaalsContact O-N 3.14Å; S291-E294 VanDerWaalsContact OG-CG 3.27Å; S291-E294 WeakPolarHBondContact OG-CG 3.44Å; S291-E294 PolarHBondContact OG-N 2.88Å; S291-E294 PolarHBondContact OG-OE2 3.43Å; F292-E294 VanDerWaalsContact C-N 3.35Å; F292-E294 PolarHBondContact O-N 2.87Å; E294-H297 PolarHBondContact O-N 2.56Å; E294-A298 PolarHBondContact O-N 3.01Å; E294-K310 HydrophobicContact CG-CD 4.32Å; E294-K310 IonicContact OE1-NZ 2.73Å |
| 295 | Y | 94.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.9 | -55.5 | -180 | 177.2 | -98.2 | 0 | 0 | 0 | 111.6 | F274 S291 F292 H297 A298 L299 N364 Y365 L366 Y368 | F274-Y295 HydrophobicContact CE1-CD1 4.25Å; F274-Y295 HydrophobicContact CE1-CG 4.05Å; F274-Y295 AromaticContact CZ-CD1 3.78Å; F274-Y295 HydrophobicContact CZ-CD1 3.78Å; F274-Y295 HydrophobicContact CZ-CG 4.07Å; S291-Y295 WeakPolarHBondContact O-CB 3.38Å; S291-Y295 PolarHBondContact O-N 3.05Å; F292-Y295 PolarHBondContact O-N 3.49Å; Y295-H297 VanDerWaalsContact C-N 3.33Å; Y295-H297 PolarHBondContact O-N 3.45Å; Y295-A298 WeakPolarHBondContact O-CB 3.32Å; Y295-A298 PolarHBondContact O-N 3.31Å; Y295-A298 VanDerWaalsContact O-N 3.15Å; Y295-L299 HydrophobicContact CD1-CD1 4.38Å; Y295-L299 HydrophobicContact CE1-CD1 3.64Å; Y295-L299 HydrophobicContact CE1-CG 4.39Å; Y295-L299 PolarHBondContact O-N 3.01Å; Y295-N364 PolarHBondContact OH-OD1 2.69Å; Y295-Y365 HydrophobicContact CD2-CD1 4.38Å; Y295-Y365 AromaticContact CD2-CE1 3.53Å; Y295-Y365 HydrophobicContact CD2-CE1 3.53Å; Y295-Y365 AromaticContact CD2-CZ 3.74Å; Y295-Y365 AromaticContact CE2-CD1 3.97Å; Y295-Y365 HydrophobicContact CE2-CD1 3.97Å; Y295-Y365 AromaticContact CE2-CE1 3.54Å; Y295-Y365 HydrophobicContact CE2-CE1 3.54Å; Y295-Y365 AromaticContact CE2-CZ 3.87Å; Y295-L366 HydrophobicContact CD2-CD1 4.06Å; Y295-L366 HydrophobicContact CE1-CD1 4.26Å; Y295-L366 HydrophobicContact CE2-CB 4.26Å; Y295-L366 HydrophobicContact CE2-CD1 3.7Å; Y295-L366 HydrophobicContact CE2-CG 3.88Å; Y295-L366 HydrophobicContact CG-CD1 4.48Å; Y295-Y368 HydrophobicContact CD1-CE2 4.35Å; Y295-Y368 AromaticContact CE1-CD2 3.57Å; Y295-Y368 HydrophobicContact CE1-CD2 3.57Å; Y295-Y368 AromaticContact CE1-CE2 3.35Å; Y295-Y368 HydrophobicContact CE1-CE2 3.35Å; Y295-Y368 AromaticContact CZ-CD2 3.7Å; Y295-Y368 AromaticContact CZ-CE2 3.55Å; Y295-Y368 WeakPolarHBondContact OH-CD2 3.27Å; Y295-Y368 VanDerWaalsContact OH-CE2 3.31Å; Y295-Y368 WeakPolarHBondContact OH-CE2 3.44Å |
| 296 | F | 95.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.4 | -31.4 | -177.6 | -80.2 | -73.1 | 0 | 0 | 0 | 113.2 | I246 L257 F274 F292 A298 L299 V300 F313 F354 | I246-F296 HydrophobicContact CD1-CE1 3.68Å; I246-F296 HydrophobicContact CD1-CE2 4.02Å; I246-F296 HydrophobicContact CD1-CZ 3.35Å; L257-F296 HydrophobicContact CD2-CE1 3.66Å; L257-F296 HydrophobicContact CD2-CZ 4Å; F274-F296 AromaticContact CE2-CE2 3.96Å; F274-F296 HydrophobicContact CE2-CE2 3.96Å; F274-F296 HydrophobicContact CZ-CD2 4.46Å; F274-F296 AromaticContact CZ-CE2 3.99Å; F274-F296 HydrophobicContact CZ-CE2 3.99Å; F292-F296 AromaticContact CD2-CD2 3.5Å; F292-F296 HydrophobicContact CD2-CD2 3.5Å; F292-F296 AromaticContact CD2-CE2 3.51Å; F292-F296 HydrophobicContact CD2-CE2 3.51Å; F292-F296 AromaticContact CE2-CD2 3.3Å; F292-F296 HydrophobicContact CE2-CD2 3.3Å; F292-F296 AromaticContact CE2-CE2 3.22Å; F292-F296 HydrophobicContact CE2-CE2 3.22Å; F292-F296 HydrophobicContact CE2-CG 4.44Å; F292-F296 HydrophobicContact CE2-CZ 4.3Å; F292-F296 HydrophobicContact CG-CD2 4.24Å; F292-F296 AromaticContact CZ-CD2 3.9Å; F292-F296 HydrophobicContact CZ-CD2 3.9Å; F292-F296 HydrophobicContact CZ-CE2 4.15Å; F292-F296 WeakPolarHBondContact O-CD2 3.21Å; F292-F296 PolarHBondContact O-N 3.5Å; F292-F296 VanDerWaalsContact O-N 3.09Å; F296-A298 VanDerWaalsContact C-N 3.35Å; F296-L299 HydrophobicContact CD1-CD1 4.21Å; F296-L299 HydrophobicContact CE1-CD1 4.5Å; F296-L299 PolarHBondContact O-N 2.92Å; F296-V300 PolarHBondContact O-N 3.09Å; F296-F313 HydrophobicContact CB-CD1 3.68Å; F296-F313 HydrophobicContact CB-CD2 4.39Å; F296-F313 HydrophobicContact CB-CE1 3.75Å; F296-F313 HydrophobicContact CB-CE2 4.45Å; F296-F313 HydrophobicContact CB-CG 4.02Å; F296-F313 HydrophobicContact CB-CZ 4.13Å; F296-F313 HydrophobicContact CG-CD1 4.5Å; F296-F354 HydrophobicContact CB-CE1 4.45Å; F296-F354 HydrophobicContact CD1-CD1 4.04Å; F296-F354 AromaticContact CD1-CE1 3.79Å; F296-F354 HydrophobicContact CD1-CE1 3.79Å; F296-F354 HydrophobicContact CD2-CE1 4.26Å; F296-F354 HydrophobicContact CE1-CD1 4.24Å; F296-F354 HydrophobicContact CE1-CE1 4.07Å; F296-F354 AromaticContact CG-CE1 3.9Å; F296-F354 HydrophobicContact CG-CE1 3.9Å; F296-F354 HydrophobicContact CZ-CE1 4.44Å |
| 297 | H | 96.2 | Very high | 88.6 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 172.6 | 178.3 | -98.4 | 0 | 0 | 0 | 112.4 | E293 E294 Y295 L299 V300 C308 K310 F313 | E293-H297 WeakPolarHBondContact O-CB 3.3Å; E293-H297 PolarHBondContact O-N 3.3Å; E293-H297 VanDerWaalsContact O-N 3.13Å; E294-H297 PolarHBondContact O-N 2.56Å; Y295-H297 VanDerWaalsContact C-N 3.33Å; Y295-H297 PolarHBondContact O-N 3.45Å; H297-L299 PolarHBondContact O-N 3.14Å; H297-V300 WeakPolarHBondContact O-CB 3.38Å; H297-V300 PolarHBondContact O-N 3.35Å; H297-V300 VanDerWaalsContact O-N 3.11Å; H297-C308 PolarHBondContact CD2-O 3.34Å; H297-K310 HydrophobicContact CB-CG 3.69Å; H297-K310 PolarHBondContact CD2-N 3.01Å; H297-F313 HydrophobicContact CB-CD2 4.06Å; H297-F313 HydrophobicContact CB-CE2 4.12Å |
| 298 | A | 95.6 | Very high | 90.9 | Very high | 33 Ų | 33 | 59 Ų | 59 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -30 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | E294 Y295 F296 V300 A363 | E294-A298 PolarHBondContact O-N 3.01Å; Y295-A298 WeakPolarHBondContact O-CB 3.32Å; Y295-A298 PolarHBondContact O-N 3.31Å; Y295-A298 VanDerWaalsContact O-N 3.15Å; F296-A298 VanDerWaalsContact C-N 3.35Å; A298-V300 VanDerWaalsContact C-N 3.35Å; A298-A363 HydrophobicContact CB-CB 4.13Å |
| 299 | L | 96.8 | Very high | 93 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -14.5 | 176.3 | -56.4 | -176.9 | 0 | 0 | 0 | 114.1 | Y295 F296 H297 K301 I357 S358 L359 A363 N364 | Y295-L299 HydrophobicContact CD1-CD1 4.38Å; Y295-L299 HydrophobicContact CE1-CD1 3.64Å; Y295-L299 HydrophobicContact CE1-CG 4.39Å; Y295-L299 PolarHBondContact O-N 3.01Å; F296-L299 HydrophobicContact CD1-CD1 4.21Å; F296-L299 HydrophobicContact CE1-CD1 4.5Å; F296-L299 PolarHBondContact O-N 2.92Å; H297-L299 PolarHBondContact O-N 3.14Å; L299-K301 PolarHBondContact O-N 3.13Å; L299-I357 HydrophobicContact CB-CB 3.85Å; L299-I357 HydrophobicContact CB-CG2 4.07Å; L299-I357 CarbonylContact O-C 3.57Å; L299-I357 VanDerWaalsContact O-CA 3.31Å; L299-I357 WeakPolarHBondContact O-CA 2.97Å; L299-S358 PolarHBondContact O-N 2.92Å; L299-L359 HydrophobicContact CD1-CD2 4.26Å; L299-A363 HydrophobicContact CD2-CB 3.93Å; L299-N364 HydrophobicContact CD2-CB 3.75Å |
| 300 | V | 97.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 129.7 | -176.9 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | F296 H297 A298 R304 K305 C308 F313 | F296-V300 PolarHBondContact O-N 3.09Å; H297-V300 WeakPolarHBondContact O-CB 3.38Å; H297-V300 PolarHBondContact O-N 3.35Å; H297-V300 VanDerWaalsContact O-N 3.11Å; A298-V300 VanDerWaalsContact C-N 3.35Å; V300-R304 HydrophobicContact CG1-CB 3.81Å; V300-K305 HydrophobicContact CB-CG 4.14Å; V300-K305 HydrophobicContact CG1-CB 4.49Å; V300-K305 HydrophobicContact CG1-CG 3.88Å; V300-K305 VanDerWaalsContact O-CE 3.28Å; V300-K305 WeakPolarHBondContact O-CE 3.39Å; V300-C308 HydrophobicContact CG1-CB 3.93Å; V300-C308 HydrophobicContact CG2-CB 3.98Å; V300-F313 HydrophobicContact CG2-CE2 3.55Å; V300-F313 HydrophobicContact CG2-CZ 3.54Å |
| 301 | K | 96.6 | Very high | 95 | Very high | 82 Ų | 82 | 55.7 Ų | 55.7 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | trans | -54 | 137.8 | 175 | -69.8 | 178.5 | -178.7 | -170.7 | 0 | 110.8 | L299 E303 R304 K305 H356 | L299-K301 PolarHBondContact O-N 3.13Å; K301-E303 WeakPolarHBondContact CB-OE1 3.36Å; K301-E303 WeakPolarHBondContact CD-OE1 3.2Å; K301-E303 PolarHBondContact O-N 3.43Å; K301-E303 VanDerWaalsContact O-N 3.07Å; K301-R304 PolarHBondContact O-N 2.89Å; K301-K305 PolarHBondContact O-N 2.8Å; K301-H356 WeakPolarHBondContact CG-O 3.44Å; K301-H356 PolarHBondContact N-O 3.33Å | ||
| 302 | P | 94.4 | Very high | 95.3 | Very high | 106 Ų | 106 | 58.9 Ų | 58.9 | 69% | 0.688 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -48.3 | -42.9 | -173.7 | -29.5 | 35.5 | 0 | 0 | 0 | 114.1 | R304 K305 | P302-R304 PolarHBondContact O-N 3.4Å; P302-K305 PolarHBondContact O-N 3.18Å |
| 303 | E | 95.3 | Very high | 95.4 | Very high | 125 Ų | 125 | 58.8 Ų | 58.8 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -69.2 | -9.3 | -179.1 | 69.4 | -80.2 | -174.3 | 0 | 0 | 114.7 | K301 | K301-E303 WeakPolarHBondContact CB-OE1 3.36Å; K301-E303 WeakPolarHBondContact CD-OE1 3.2Å; K301-E303 PolarHBondContact O-N 3.43Å; K301-E303 VanDerWaalsContact O-N 3.07Å |
| 304 | R | 96.4 | Very high | 95.4 | Very high | 99 Ų | 99 | 61.6 Ų | 61.6 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -113.1 | -5.3 | 179.4 | -61.3 | -61.2 | -176.4 | 169.1 | -0.3 | 114.1 | V300 K301 P302 T306 I307 C308 H356 | V300-R304 HydrophobicContact CG1-CB 3.81Å; K301-R304 PolarHBondContact O-N 2.89Å; P302-R304 PolarHBondContact O-N 3.4Å; R304-T306 VanDerWaalsContact C-N 3.25Å; R304-T306 PolarHBondContact O-N 2.82Å; R304-I307 PolarHBondContact O-N 2.74Å; R304-C308 PolarHBondContact O-N 2.85Å; R304-H356 HydrophobicContact CB-CB 3.97Å; R304-H356 HydrophobicContact CG-CB 3.88Å |
| 305 | K | 93.8 | Very high | 95.5 | Very high | 94 Ų | 94 | 60.4 Ų | 60.4 | 41% | 0.409 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31.6 | -177 | -75.1 | -171 | 173.5 | -177.9 | 0 | 114 | V300 K301 P302 I307 | V300-K305 HydrophobicContact CB-CG 4.14Å; V300-K305 HydrophobicContact CG1-CB 4.49Å; V300-K305 HydrophobicContact CG1-CG 3.88Å; V300-K305 VanDerWaalsContact O-CE 3.28Å; V300-K305 WeakPolarHBondContact O-CE 3.39Å; K301-K305 PolarHBondContact O-N 2.8Å; P302-K305 PolarHBondContact O-N 3.18Å; K305-I307 VanDerWaalsContact C-N 3.28Å; K305-I307 PolarHBondContact O-N 2.89Å |
| 306 | T | 91.8 | Very high | 95.5 | Very high | 132 Ų | 132 | 60.4 Ų | 60.4 | 81% | 0.81 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -26.4 | 176.9 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | R304 | R304-T306 VanDerWaalsContact C-N 3.25Å; R304-T306 PolarHBondContact O-N 2.82Å |
| 307 | I | 95.8 | Very high | 95.3 | Very high | 88 Ų | 88 | 60.6 Ų | 60.6 | 45% | 0.451 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -30 | -177.3 | -56.7 | 169.7 | 0 | 0 | 0 | 111.1 | R304 K305 K312 | R304-I307 PolarHBondContact O-N 2.74Å; K305-I307 VanDerWaalsContact C-N 3.28Å; K305-I307 PolarHBondContact O-N 2.89Å; I307-K312 VanDerWaalsContact O-CD 3.28Å; I307-K312 WeakPolarHBondContact O-CD 3.45Å; I307-K312 WeakPolarHBondContact O-CE 3.5Å; I307-K312 PolarHBondContact O-NZ 2.8Å |
| 308 | C | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -110.6 | 80.8 | -178.5 | -70.5 | 0 | 0 | 0 | 0 | 110.5 | H297 V300 R304 F313 C353 | H297-C308 PolarHBondContact CD2-O 3.34Å; V300-C308 HydrophobicContact CG1-CB 3.93Å; V300-C308 HydrophobicContact CG2-CB 3.98Å; R304-C308 PolarHBondContact O-N 2.85Å; C308-F313 HydrophobicContact CB-CE2 4.47Å; C308-C353 WeakPolarHBondContact CA-SG 3.32Å; C308-C353 HydrophobicContact CB-CB 3.73Å; C308-C353 WeakPolarHBondContact CB-SG 3.34Å; C308-C353 WeakPolarHBondContact SG-CA 3.39Å; C308-C353 WeakPolarHBondContact SG-CB 3.45Å; C308-C353 CovalentContact SG-SG 2.05Å; C308-C353 PolarHBondContact SG-SG 2.96Å |
| 309 | S | 95.8 | Very high | 94.9 | Very high | 36 Ų | 36 | 66 Ų | 66 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | trans | -82.7 | 167.9 | 178.5 | 79.9 | 0 | 0 | 0 | 0 | 112.6 | E311 K312 F313 | S309-E311 VanDerWaalsContact CB-OE2 3.29Å; S309-E311 WeakPolarHBondContact CB-OE2 3.3Å; S309-E311 PolarHBondContact O-N 2.64Å; S309-E311 PolarHBondContact OG-N 3.4Å; S309-E311 PolarHBondContact OG-OE2 2.96Å; S309-K312 PolarHBondContact O-N 3.31Å; S309-K312 VanDerWaalsContact O-N 3.16Å; S309-F313 VanDerWaalsContact O-CD2 3.31Å; S309-F313 WeakPolarHBondContact O-CD2 3.46Å; S309-F313 PolarHBondContact O-N 2.87Å | ||
| 310 | K | 95.4 | Very high | 94.7 | Very high | 80 Ų | 80 | 66.5 Ų | 66.5 | 35% | 0.348 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.6 | -39.5 | 172.3 | -67.7 | -175.2 | 178.6 | -173.5 | 0 | 111.8 | E293 E294 H297 K312 F313 R314 | E293-K310 HydrophobicContact CB-CB 4.39Å; E293-K310 WeakPolarHBondContact CB-O 3.32Å; E293-K310 HydrophobicContact CG-CB 4.44Å; E294-K310 HydrophobicContact CG-CD 4.32Å; E294-K310 IonicContact OE1-NZ 2.73Å; H297-K310 HydrophobicContact CB-CG 3.69Å; H297-K310 PolarHBondContact CD2-N 3.01Å; K310-K312 VanDerWaalsContact C-N 3.29Å; K310-K312 PolarHBondContact O-N 3.49Å; K310-F313 PolarHBondContact O-N 2.85Å; K310-R314 PolarHBondContact O-N 3.04Å |
| 311 | E | 95.3 | Very high | 94.4 | Very high | 110 Ų | 110 | 71.1 Ų | 71.1 | 51% | 0.514 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.7 | -36.5 | 179.4 | -64.9 | 68.1 | -148.8 | 0 | 0 | 111.9 | S309 R314 S315 | S309-E311 VanDerWaalsContact CB-OE2 3.29Å; S309-E311 WeakPolarHBondContact CB-OE2 3.3Å; S309-E311 PolarHBondContact O-N 2.64Å; S309-E311 PolarHBondContact OG-N 3.4Å; S309-E311 PolarHBondContact OG-OE2 2.96Å; E311-R314 PolarHBondContact O-N 3.11Å; E311-S315 WeakPolarHBondContact O-CB 3.32Å; E311-S315 PolarHBondContact O-N 3.09Å; E311-S315 PolarHBondContact O-OG 3.01Å; E311-S315 VanDerWaalsContact O-OG 3.04Å |
| 312 | K | 95.7 | Very high | 94.3 | Very high | 87 Ų | 87 | 70.6 Ų | 70.6 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 175 | -79.2 | -162.3 | 177.4 | 172.5 | 0 | 112.2 | I307 S309 K310 S315 A316 | I307-K312 VanDerWaalsContact O-CD 3.28Å; I307-K312 WeakPolarHBondContact O-CD 3.45Å; I307-K312 WeakPolarHBondContact O-CE 3.5Å; I307-K312 PolarHBondContact O-NZ 2.8Å; S309-K312 PolarHBondContact O-N 3.31Å; S309-K312 VanDerWaalsContact O-N 3.16Å; K310-K312 VanDerWaalsContact C-N 3.29Å; K310-K312 PolarHBondContact O-N 3.49Å; K312-S315 PolarHBondContact O-N 2.97Å; K312-A316 WeakPolarHBondContact O-CB 3.4Å; K312-A316 PolarHBondContact O-N 2.91Å |
| 313 | F | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 174.8 | -67.9 | -70.4 | 0 | 0 | 0 | 111.2 | F292 E293 F296 H297 V300 C308 S309 K310 S315 A316 L317 C353 F354 | F292-F313 HydrophobicContact CE1-CB 4.14Å; F292-F313 VanDerWaalsContact CE1-O 3.29Å; F292-F313 WeakPolarHBondContact CE1-O 3.39Å; E293-F313 HydrophobicContact CB-CB 3.92Å; F296-F313 HydrophobicContact CB-CD1 3.68Å; F296-F313 HydrophobicContact CB-CD2 4.39Å; F296-F313 HydrophobicContact CB-CE1 3.75Å; F296-F313 HydrophobicContact CB-CE2 4.45Å; F296-F313 HydrophobicContact CB-CG 4.02Å; F296-F313 HydrophobicContact CB-CZ 4.13Å; F296-F313 HydrophobicContact CG-CD1 4.5Å; H297-F313 HydrophobicContact CB-CD2 4.06Å; H297-F313 HydrophobicContact CB-CE2 4.12Å; V300-F313 HydrophobicContact CG2-CE2 3.55Å; V300-F313 HydrophobicContact CG2-CZ 3.54Å; C308-F313 HydrophobicContact CB-CE2 4.47Å; S309-F313 VanDerWaalsContact O-CD2 3.31Å; S309-F313 WeakPolarHBondContact O-CD2 3.46Å; S309-F313 PolarHBondContact O-N 2.87Å; K310-F313 PolarHBondContact O-N 2.85Å; F313-S315 VanDerWaalsContact C-N 3.33Å; F313-S315 PolarHBondContact O-N 2.04Å; F313-A316 WeakPolarHBondContact O-CB 3.11Å; F313-A316 PolarHBondContact O-N 3.43Å; F313-L317 PolarHBondContact O-N 2.79Å; F313-L317 VanDerWaalsContact O-N 3.14Å; F313-C353 HydrophobicContact CE1-CB 3.94Å; F313-C353 HydrophobicContact CZ-CB 3.82Å; F313-F354 AromaticContact CD1-CE1 3.85Å; F313-F354 HydrophobicContact CD1-CE1 3.85Å; F313-F354 HydrophobicContact CD1-CE2 4.25Å; F313-F354 AromaticContact CD1-CZ 3.67Å; F313-F354 HydrophobicContact CD1-CZ 3.67Å; F313-F354 HydrophobicContact CE1-CD1 4.11Å; F313-F354 AromaticContact CE1-CE1 3.86Å; F313-F354 HydrophobicContact CE1-CE1 3.86Å; F313-F354 HydrophobicContact CE1-CE2 4.44Å; F313-F354 HydrophobicContact CE1-CZ 4.02Å |
| 314 | R | 94.7 | Very high | 94 | Very high | 98 Ų | 98 | 61 Ų | 61 | 37% | 0.37 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 175.2 | -173.8 | 178.9 | 63.4 | 78.3 | 2.7 | 111.7 | E293 K310 E311 L317 E318 | E293-R314 HydrophobicContact CB-CB 4.25Å; E293-R314 HydrophobicContact CG-CB 4.39Å; K310-R314 PolarHBondContact O-N 3.04Å; E311-R314 PolarHBondContact O-N 3.11Å; R314-L317 PolarHBondContact O-N 2.93Å; R314-E318 WeakPolarHBondContact CG-OE1 3.25Å; R314-E318 IonicContact CZ-OE1 2.71Å; R314-E318 VanDerWaalsContact NH1-CD 3.26Å; R314-E318 IonicContact NH1-OE1 3.88Å; R314-E318 PolarHBondContact NH1-OE1 3.06Å; R314-E318 IonicContact NH1-OE2 2.76Å; R314-E318 PolarHBondContact NH1-OE2 3.17Å; R314-E318 WeakPolarHBondContact O-CG 3.37Å; R314-E318 PolarHBondContact O-N 2.99Å; R314-E318 VanDerWaalsContact O-N 3.12Å |
| 315 | S | 94.5 | Very high | 93.9 | Very high | 50 Ų | 50 | 63.5 Ų | 63.5 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176.7 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | E311 K312 F313 L317 E318 S319 | E311-S315 WeakPolarHBondContact O-CB 3.32Å; E311-S315 PolarHBondContact O-N 3.09Å; E311-S315 PolarHBondContact O-OG 3.01Å; E311-S315 VanDerWaalsContact O-OG 3.04Å; K312-S315 PolarHBondContact O-N 2.97Å; F313-S315 VanDerWaalsContact C-N 3.33Å; F313-S315 PolarHBondContact O-N 2.04Å; S315-L317 PolarHBondContact O-N 2.77Å; S315-E318 PolarHBondContact O-N 3.47Å; S315-S319 WeakPolarHBondContact O-CB 3.32Å; S315-S319 PolarHBondContact O-N 2.81Å; S315-S319 PolarHBondContact O-OG 2.82Å |
| 316 | A | 94.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.2 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K312 F313 S319 A320 E351 F354 | K312-A316 WeakPolarHBondContact O-CB 3.4Å; K312-A316 PolarHBondContact O-N 2.91Å; F313-A316 WeakPolarHBondContact O-CB 3.11Å; F313-A316 PolarHBondContact O-N 3.43Å; A316-S319 PolarHBondContact O-OG 2.91Å; A316-A320 WeakPolarHBondContact O-CB 3.41Å; A316-A320 PolarHBondContact O-N 2.8Å; A316-A320 VanDerWaalsContact O-N 3.15Å; A316-E351 HydrophobicContact CB-CB 4.08Å; A316-E351 HydrophobicContact CB-CG 3.51Å; A316-F354 HydrophobicContact CB-CE2 4.08Å |
| 317 | L | 92.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.2 | -36.3 | 176.2 | -161.5 | 76.2 | 0 | 0 | 0 | 112.3 | R242 P244 F292 F313 R314 S315 Y344 I346 | R242-L317 HydrophobicContact CB-CD2 4.4Å; R242-L317 HydrophobicContact CG-CD2 4.4Å; P244-L317 HydrophobicContact CB-CD1 4.06Å; F292-L317 HydrophobicContact CD1-CB 4.12Å; F292-L317 HydrophobicContact CD1-CD1 4.37Å; F292-L317 HydrophobicContact CD1-CD2 4.13Å; F292-L317 HydrophobicContact CD1-CG 4.45Å; F292-L317 HydrophobicContact CD2-CD1 4.49Å; F292-L317 HydrophobicContact CE1-CB 3.85Å; F292-L317 HydrophobicContact CE1-CD1 4.11Å; F292-L317 HydrophobicContact CE1-CG 4.41Å; F292-L317 HydrophobicContact CE2-CD1 4.25Å; F292-L317 HydrophobicContact CG-CD2 4.32Å; F292-L317 HydrophobicContact CZ-CB 4.49Å; F292-L317 HydrophobicContact CZ-CD1 4.02Å; F313-L317 PolarHBondContact O-N 2.79Å; F313-L317 VanDerWaalsContact O-N 3.14Å; R314-L317 PolarHBondContact O-N 2.93Å; S315-L317 PolarHBondContact O-N 2.77Å; L317-Y344 HydrophobicContact CD1-CD1 4.31Å; L317-Y344 HydrophobicContact CD1-CD2 3.45Å; L317-Y344 VanDerWaalsContact CD1-CD2 3.45Å; L317-Y344 HydrophobicContact CD1-CE2 3.94Å; L317-Y344 HydrophobicContact CD1-CG 3.64Å; L317-Y344 HydrophobicContact CD2-CD2 4.44Å; L317-Y344 HydrophobicContact CD2-CE2 4.09Å; L317-Y344 HydrophobicContact CG-CD1 4.29Å; L317-Y344 HydrophobicContact CG-CD2 3.9Å; L317-Y344 HydrophobicContact CG-CE1 4.28Å; L317-Y344 HydrophobicContact CG-CE2 3.9Å; L317-Y344 HydrophobicContact CG-CG 4.07Å; L317-Y344 WeakPolarHBondContact O-CD1 3.32Å; L317-Y344 VanDerWaalsContact O-CE1 3.24Å; L317-Y344 WeakPolarHBondContact O-CE1 3.5Å; L317-I346 HydrophobicContact CD1-CD1 4.2Å |
| 318 | E | 90.9 | Very high | 93.6 | Very high | 113 Ų | 113 | 53.7 Ų | 53.7 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -72.7 | -32.8 | -179.8 | -72.3 | 171.8 | -174.3 | 0 | 0 | 112.7 | R314 S315 | R314-E318 WeakPolarHBondContact CG-OE1 3.25Å; R314-E318 IonicContact CZ-OE1 2.71Å; R314-E318 VanDerWaalsContact NH1-CD 3.26Å; R314-E318 IonicContact NH1-OE1 3.88Å; R314-E318 PolarHBondContact NH1-OE1 3.06Å; R314-E318 IonicContact NH1-OE2 2.76Å; R314-E318 PolarHBondContact NH1-OE2 3.17Å; R314-E318 WeakPolarHBondContact O-CG 3.37Å; R314-E318 PolarHBondContact O-N 2.99Å; R314-E318 VanDerWaalsContact O-N 3.12Å; S315-E318 PolarHBondContact O-N 3.47Å |
| 319 | S | 92.2 | Very high | 93.3 | Very high | 75 Ų | 75 | 54.3 Ų | 54.3 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -89 | -14.3 | 177.8 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | S315 A316 | S315-S319 WeakPolarHBondContact O-CB 3.32Å; S315-S319 PolarHBondContact O-N 2.81Å; S315-S319 PolarHBondContact O-OG 2.82Å; A316-S319 PolarHBondContact O-OG 2.91Å |
| 320 | A | 93.2 | Very high | 93.2 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -61.2 | 149.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A316 T322 Y344 I346 | A316-A320 WeakPolarHBondContact O-CB 3.41Å; A316-A320 PolarHBondContact O-N 2.8Å; A316-A320 VanDerWaalsContact O-N 3.15Å; A320-T322 PolarHBondContact O-N 3.06Å; A320-Y344 HydrophobicContact CB-CD1 4.02Å; A320-Y344 HydrophobicContact CB-CG 4.39Å; A320-I346 HydrophobicContact CB-CG1 3.79Å |
| 321 | H | 90.9 | Very high | 93 | Very high | 101 Ų | 101 | 49.2 Ų | 49.2 | 47% | 0.468 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 127.7 | 173.2 | -73 | 34.2 | 0 | 0 | 0 | 109.8 | L323 Y344 L345 | H321-L323 PolarHBondContact O-N 3.46Å; H321-Y344 CarbonylContact O-C 3.49Å; H321-Y344 WeakPolarHBondContact O-CA 3.36Å; H321-L345 HydrophobicContact CB-CB 4.31Å; H321-L345 PolarHBondContact N-O 3.04Å; H321-L345 PolarHBondContact O-N 3.49Å |
| 322 | T | 93 | Very high | 92.8 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 44% | 0.436 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 111.3 | 178.5 | -62 | 0 | 0 | 0 | 0 | 109.8 | A320 K325 T342 | A320-T322 PolarHBondContact O-N 3.06Å; T322-K325 HydrophobicContact CG2-CB 3.93Å; T322-T342 HydrophobicContact CG2-CG2 3.89Å |
| 323 | L | 91.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -32.8 | 175.9 | -67 | -178.7 | 0 | 0 | 0 | 112.4 | H321 V343 L345 A420 I423 S435 | H321-L323 PolarHBondContact O-N 3.46Å; L323-V343 HydrophobicContact CB-CB 4.3Å; L323-V343 HydrophobicContact CB-CG1 4.07Å; L323-V343 HydrophobicContact CD1-CG1 4.25Å; L323-V343 PolarHBondContact N-O 3.3Å; L323-L345 HydrophobicContact CD1-CB 3.9Å; L323-L345 HydrophobicContact CD1-CD1 4.41Å; L323-L345 HydrophobicContact CD1-CD2 4.42Å; L323-L345 HydrophobicContact CD1-CG 4.49Å; L323-L345 HydrophobicContact CD2-CB 4.24Å; L323-L345 HydrophobicContact CD2-CD2 4.15Å; L323-L345 HydrophobicContact CG-CB 3.85Å; L323-A420 HydrophobicContact CD1-CB 3.81Å; L323-I423 HydrophobicContact CD2-CD1 3.69Å; L323-S435 WeakPolarHBondContact O-CB 3.22Å; L323-S435 PolarHBondContact O-OG 2.77Å |
| 324 | F | 92.8 | Very high | 92.5 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 11% | 0.114 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 138.8 | -177.1 | 176.3 | -90.5 | 0 | 0 | 0 | 109.4 | N326 Y327 F328 A341 T342 V343 A436 I439 | F324-N326 HydrophobicContact CE1-CB 4.12Å; F324-N326 VanDerWaalsContact CE1-O 3.32Å; F324-N326 WeakPolarHBondContact CE1-O 3.49Å; F324-N326 HydrophobicContact CE2-CB 4.1Å; F324-N326 HydrophobicContact CZ-CB 3.66Å; F324-Y327 WeakPolarHBondContact CZ-O 3.41Å; F324-F328 HydrophobicContact CE1-CB 4.5Å; F324-F328 AromaticContact CE1-CD2 4Å; F324-F328 HydrophobicContact CE1-CD2 4Å; F324-F328 HydrophobicContact CZ-CD2 4.47Å; F324-A341 HydrophobicContact CE1-CB 4.37Å; F324-T342 CarbonylContact O-C 3.55Å; F324-T342 VanDerWaalsContact O-CA 3.3Å; F324-T342 WeakPolarHBondContact O-CA 3.36Å; F324-V343 HydrophobicContact CB-CB 3.89Å; F324-V343 HydrophobicContact CB-CG2 3.78Å; F324-V343 HydrophobicContact CD1-CG2 4.11Å; F324-V343 HydrophobicContact CG-CG2 4.33Å; F324-V343 PolarHBondContact O-N 3.48Å; F324-A436 HydrophobicContact CD2-CB 3.62Å; F324-A436 HydrophobicContact CE2-CB 4.13Å; F324-I439 HydrophobicContact CB-CD1 4.1Å |
| 325 | K | 93.8 | Very high | 92.4 | Very high | 151 Ų | 151 | 36.9 Ų | 36.9 | 66% | 0.657 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 91.4 | 171.6 | -175.6 | 177.1 | -179.6 | -174.9 | 0 | 109.7 | T322 A341 T342 | T322-K325 HydrophobicContact CG2-CB 3.93Å; K325-A341 WeakPolarHBondContact CA-O 3.37Å; K325-T342 HydrophobicContact CB-CG2 4.23Å; K325-T342 HydrophobicContact CD-CG2 4.39Å; K325-T342 HydrophobicContact CG-CG2 4.26Å |
| 326 | N | 91.5 | Very high | 92.2 | Very high | 99 Ų | 99 | 35.1 Ų | 35.1 | 53% | 0.529 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | -173.5 | 176.6 | -146.4 | -29 | 0 | 0 | 0 | 110.5 | F324 F328 T340 A341 | F324-N326 HydrophobicContact CE1-CB 4.12Å; F324-N326 VanDerWaalsContact CE1-O 3.32Å; F324-N326 WeakPolarHBondContact CE1-O 3.49Å; F324-N326 HydrophobicContact CE2-CB 4.1Å; F324-N326 HydrophobicContact CZ-CB 3.66Å; N326-F328 PolarHBondContact O-N 2.98Å; N326-T340 CarbonylContact O-C 3.25Å; N326-T340 WeakPolarHBondContact O-CA 2.99Å; N326-A341 PolarHBondContact N-O 3.38Å; N326-A341 PolarHBondContact O-N 2.96Å |
| 327 | Y | 91.5 | Very high | 92 | Very high | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.02 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -47.3 | 126.6 | 165.4 | 177.4 | -94.3 | 0 | 0 | 0 | 112.2 | Y220 F223 F324 P329 W338 F404 | Y220-Y327 AromaticContact CD1-CD2 3.98Å; Y220-Y327 HydrophobicContact CD1-CD2 3.98Å; Y220-Y327 AromaticContact CD1-CE2 3.57Å; Y220-Y327 HydrophobicContact CD1-CE2 3.57Å; Y220-Y327 HydrophobicContact CE1-CD1 4.39Å; Y220-Y327 AromaticContact CE1-CD2 3.19Å; Y220-Y327 HydrophobicContact CE1-CD2 3.19Å; Y220-Y327 HydrophobicContact CE1-CE1 4.43Å; Y220-Y327 AromaticContact CE1-CE2 3.19Å; Y220-Y327 HydrophobicContact CE1-CE2 3.19Å; Y220-Y327 AromaticContact CE1-CG 3.79Å; Y220-Y327 HydrophobicContact CE1-CG 3.79Å; Y220-Y327 AromaticContact CE1-CZ 3.84Å; Y220-Y327 HydrophobicContact CE2-CD2 4.06Å; Y220-Y327 HydrophobicContact CG-CE2 4.37Å; Y220-Y327 AromaticContact CZ-CD2 3.3Å; Y220-Y327 AromaticContact CZ-CE2 3.81Å; Y220-Y327 AromaticContact CZ-CG 3.8Å; Y220-Y327 VanDerWaalsContact OH-CB 3.25Å; Y220-Y327 WeakPolarHBondContact OH-CB 2.94Å; Y220-Y327 WeakPolarHBondContact OH-CD2 3.32Å; F223-Y327 HydrophobicContact CD2-CD1 4.46Å; F324-Y327 WeakPolarHBondContact CZ-O 3.41Å; Y327-P329 HydrophobicContact CE1-CB 4.25Å; Y327-W338 HydrophobicContact CD2-CB 4.15Å; Y327-W338 HydrophobicContact CD2-CG 4.37Å; Y327-W338 HydrophobicContact CE2-CB 3.65Å; Y327-W338 HydrophobicContact CE2-CG 4.27Å; Y327-F404 HydrophobicContact CE1-CE1 4.05Å; Y327-F404 HydrophobicContact CE1-CZ 4.13Å; Y327-F404 AromaticContact CZ-CE1 3.84Å; Y327-F404 AromaticContact CZ-CZ 3.99Å; Y327-F404 WeakPolarHBondContact OH-CE1 3.46Å; Y327-F404 WeakPolarHBondContact OH-CZ 3.06Å |
| 328 | F | 92.5 | Very high | 92 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.1 | 179 | -164.2 | -106 | 0 | 0 | 0 | 109.7 | M241 I243 F324 N326 H330 V339 A341 F409 T412 L413 I416 | M241-F328 HydrophobicContact CE-CD1 3.57Å; M241-F328 HydrophobicContact CE-CE1 3.88Å; M241-F328 HydrophobicContact CE-CG 4.35Å; I243-F328 HydrophobicContact CD1-CE1 4.33Å; I243-F328 HydrophobicContact CD1-CE2 4.46Å; I243-F328 HydrophobicContact CD1-CZ 4.21Å; F324-F328 HydrophobicContact CE1-CB 4.5Å; F324-F328 AromaticContact CE1-CD2 4Å; F324-F328 HydrophobicContact CE1-CD2 4Å; F324-F328 HydrophobicContact CZ-CD2 4.47Å; N326-F328 PolarHBondContact O-N 2.98Å; F328-H330 PolarHBondContact O-N 3.27Å; F328-V339 HydrophobicContact CB-CG1 4.14Å; F328-V339 PolarHBondContact N-O 3.15Å; F328-A341 HydrophobicContact CB-CB 3.46Å; F328-A341 VanDerWaalsContact CB-CB 3.46Å; F328-A341 HydrophobicContact CD1-CB 4.37Å; F328-A341 HydrophobicContact CD2-CB 3.92Å; F328-A341 HydrophobicContact CG-CB 3.67Å; F328-F409 HydrophobicContact CD1-CD2 4.44Å; F328-F409 AromaticContact CD1-CE2 3.96Å; F328-F409 HydrophobicContact CD1-CE2 3.96Å; F328-F409 AromaticContact CE1-CD2 3.77Å; F328-F409 HydrophobicContact CE1-CD2 3.77Å; F328-F409 AromaticContact CE1-CE2 3.4Å; F328-F409 HydrophobicContact CE1-CE2 3.4Å; F328-F409 HydrophobicContact CE1-CZ 4.34Å; F328-F409 HydrophobicContact CZ-CE2 4.49Å; F328-T412 HydrophobicContact CE2-CG2 3.79Å; F328-T412 HydrophobicContact CZ-CG2 3.79Å; F328-L413 HydrophobicContact CE1-CD2 4.25Å; F328-L413 HydrophobicContact CZ-CD2 3.89Å; F328-L413 HydrophobicContact CZ-CG 4.48Å; F328-I416 HydrophobicContact CE2-CD1 3.75Å; F328-I416 HydrophobicContact CZ-CD1 4.02Å |
| 329 | P | 90.6 | Very high | 92.2 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 10% | 0.097 | 16% | 0.162 | C | C | . | . | trans | -71.2 | 107.6 | -179.6 | 30.4 | -33.3 | 0 | 0 | 0 | 109.7 | Y327 P403 F404 | Y327-P329 HydrophobicContact CE1-CB 4.25Å; P329-P403 HydrophobicContact CB-CB 3.76Å; P329-P403 WeakPolarHBondContact CB-O 3.21Å; P329-P403 HydrophobicContact CG-CB 4.15Å; P329-F404 HydrophobicContact CB-CD1 3.92Å; P329-F404 HydrophobicContact CB-CE1 3.62Å; P329-F404 HydrophobicContact CB-CZ 4.36Å | ||
| 330 | H | 93.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 2% | 0.023 | 14% | 0.142 | C | C | . | . | trans | -113.3 | 141.3 | -175.3 | -176.8 | -81.3 | 0 | 0 | 0 | 109.8 | A267 Y275 F328 Q332 S333 V339 F409 | A267-H330 VanDerWaalsContact CB-CE1 3.42Å; A267-H330 WeakPolarHBondContact CB-CE1 3.04Å; Y275-H330 PolarHBondContact OH-NE2 3.31Å; F328-H330 PolarHBondContact O-N 3.27Å; H330-Q332 WeakPolarHBondContact ND1-CB 3.46Å; H330-Q332 PolarHBondContact ND1-N 3.41Å; H330-Q332 VanDerWaalsContact ND1-N 3.11Å; H330-Q332 PolarHBondContact O-N 3.41Å; H330-Q332 VanDerWaalsContact O-N 3.09Å; H330-S333 VanDerWaalsContact O-CB 3.29Å; H330-S333 WeakPolarHBondContact O-CB 3.35Å; H330-S333 PolarHBondContact O-N 3.22Å; H330-S333 PolarHBondContact O-OG 3.17Å; H330-V339 HydrophobicContact CB-CB 4Å; H330-V339 HydrophobicContact CB-CG2 3.61Å; H330-F409 HydrophobicContact CB-CE2 4.26Å; H330-F409 AromaticContact CD2-CE2 3.34Å; H330-F409 WeakPolarHBondContact CD2-CE2 3.28Å; H330-F409 AromaticContact CD2-CZ 3.56Å; H330-F409 AromaticContact CG-CE2 3.99Å; H330-F409 AromaticContact NE2-CZ 3.93Å | ||
| 331 | P | 92.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.2 | -174.6 | -26.2 | 33.6 | 0 | 0 | 0 | 115.2 | F173 R180 A267 F404 I406 F409 | F173-P331 WeakPolarHBondContact CD2-O 3.36Å; R180-P331 PolarHBondContact NH2-O 3.04Å; A267-P331 HydrophobicContact CB-CB 4.21Å; A267-P331 HydrophobicContact CB-CG 3.94Å; P331-F404 VanDerWaalsContact CA-O 3.29Å; P331-F404 WeakPolarHBondContact CA-O 3.44Å; P331-I406 HydrophobicContact CB-CG1 3.81Å; P331-I406 HydrophobicContact CG-CG1 4.06Å; P331-F409 VanDerWaalsContact CD-CG 3.47Å; P331-F409 HydrophobicContact CG-CB 3.51Å; P331-F409 HydrophobicContact CG-CD1 4.2Å; P331-F409 HydrophobicContact CG-CD2 4.19Å; P331-F409 HydrophobicContact CG-CG 3.75Å |
| 332 | Q | 91.3 | Very high | 92.7 | Very high | 31 Ų | 31 | 23.9 Ų | 23.9 | 15% | 0.145 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -0.4 | 176.6 | -59.9 | -61.8 | -41.6 | 0 | 0 | 114.2 | F173 L233 A267 H330 | F173-Q332 PolarHBondContact O-NE2 3.02Å; L233-Q332 HydrophobicContact CD2-CB 4.02Å; L233-Q332 HydrophobicContact CG-CB 3.94Å; A267-Q332 HydrophobicContact CB-CG 4.44Å; H330-Q332 WeakPolarHBondContact ND1-CB 3.46Å; H330-Q332 PolarHBondContact ND1-N 3.41Å; H330-Q332 VanDerWaalsContact ND1-N 3.11Å; H330-Q332 PolarHBondContact O-N 3.41Å; H330-Q332 VanDerWaalsContact O-N 3.09Å |
| 333 | S | 92.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -69.4 | 136.1 | 177.6 | -69.8 | 0 | 0 | 0 | 0 | 111.4 | R180 H330 S337 | R180-S333 PolarHBondContact NH1-O 3.14Å; R180-S333 PolarHBondContact NH2-O 3.43Å; H330-S333 VanDerWaalsContact O-CB 3.29Å; H330-S333 WeakPolarHBondContact O-CB 3.35Å; H330-S333 PolarHBondContact O-N 3.22Å; H330-S333 PolarHBondContact O-OG 3.17Å; S333-S337 CarbonylContact C-O 3.57Å; S333-S337 VanDerWaalsContact CA-O 3.28Å; S333-S337 WeakPolarHBondContact CA-O 3.47Å | ||
| 334 | T | 92.5 | Very high | 93 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | -118 | -179.9 | 173.8 | 67.4 | 0 | 0 | 0 | 0 | 109.4 | F173 T225 M227 G229 N336 S337 | F173-T334 HydrophobicContact CE2-CG2 4.14Å; F173-T334 HydrophobicContact CZ-CG2 3.74Å; T225-T334 WeakPolarHBondContact CG2-O 3.48Å; T225-T334 VanDerWaalsContact OG1-CA 3.23Å; T225-T334 WeakPolarHBondContact OG1-CA 2.96Å; M227-T334 HydrophobicContact CB-CG2 4.31Å; M227-T334 HydrophobicContact CG-CG2 3.91Å; M227-T334 CarbonylContact O-C 3.58Å; M227-T334 WeakPolarHBondContact O-CA 3.29Å; M227-T334 WeakPolarHBondContact O-CB 3.37Å; G229-T334 WeakPolarHBondContact O-CB 3.44Å; G229-T334 PolarHBondContact O-OG1 3.12Å; T334-N336 PolarHBondContact O-N 3.19Å; T334-N336 PolarHBondContact OG1-N 2.65Å; T334-N336 VanDerWaalsContact OG1-N 3.11Å; T334-S337 PolarHBondContact N-O 3.25Å; T334-S337 PolarHBondContact OG1-N 3.39Å | ||
| 335 | D | 91.8 | Very high | 93.1 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 3% | 0.032 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -66 | -18.3 | 172.1 | -65.8 | -4.6 | 0 | 0 | 0 | 112.1 | Y197 Q219 Y220 T225 M227 L228 | Y197-D335 WeakPolarHBondContact CE1-OD2 3.34Å; Y197-D335 VanDerWaalsContact CZ-OD2 3.25Å; Y197-D335 VanDerWaalsContact OH-CG 3.25Å; Y197-D335 PolarHBondContact OH-OD1 2.88Å; Y197-D335 PolarHBondContact OH-OD2 3.26Å; Q219-D335 WeakPolarHBondContact CA-O 3.47Å; Y220-D335 PolarHBondContact N-O 3.18Å; T225-D335 WeakPolarHBondContact CA-OD1 3.46Å; T225-D335 WeakPolarHBondContact CB-OD1 3.45Å; T225-D335 PolarHBondContact N-OD1 2.95Å; T225-D335 PolarHBondContact OG1-N 3.2Å; T225-D335 PolarHBondContact OG1-OD1 3.04Å; M227-D335 PolarHBondContact O-N 2.9Å; L228-D335 HydrophobicContact CD2-CB 3.98Å |
| 336 | N | 90.7 | Very high | 93.1 | Very high | 13 Ų | 13 | 13.5 Ų | 13.5 | 7% | 0.07 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -111.3 | -6.9 | -177.4 | -48.7 | 105.5 | 0 | 0 | 0 | 114.4 | P218 G229 L236 G237 T334 | P218-N336 WeakPolarHBondContact O-CA 3.42Å; P218-N336 WeakPolarHBondContact O-CB 3.19Å; P218-N336 PolarHBondContact O-ND2 3.11Å; G229-N336 PolarHBondContact N-OD1 3.15Å; L236-N336 HydrophobicContact CD2-CB 4.23Å; G237-N336 PolarHBondContact N-O 2.96Å; T334-N336 PolarHBondContact O-N 3.19Å; T334-N336 PolarHBondContact OG1-N 2.65Å; T334-N336 VanDerWaalsContact OG1-N 3.11Å |
| 337 | S | 90.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 121.3 | -179.6 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | L230 L233 Y235 G237 N239 S333 T334 | L230-S337 WeakPolarHBondContact O-CB 3.29Å; L233-S337 VanDerWaalsContact CB-OG 3.32Å; L233-S337 WeakPolarHBondContact CB-OG 3.44Å; L233-S337 WeakPolarHBondContact CD1-O 3.26Å; L233-S337 VanDerWaalsContact CD1-OG 3.26Å; L233-S337 WeakPolarHBondContact CD1-OG 3.06Å; Y235-S337 WeakPolarHBondContact O-CB 3.28Å; Y235-S337 PolarHBondContact O-OG 2.88Å; G237-S337 WeakPolarHBondContact O-CA 3.31Å; N239-S337 PolarHBondContact ND2-OG 2.78Å; N239-S337 VanDerWaalsContact ND2-OG 3.15Å; S333-S337 CarbonylContact C-O 3.57Å; S333-S337 VanDerWaalsContact CA-O 3.28Å; S333-S337 WeakPolarHBondContact CA-O 3.47Å; T334-S337 PolarHBondContact N-O 3.25Å; T334-S337 PolarHBondContact OG1-N 3.39Å |
| 338 | W | 93.5 | Very high | 93.3 | Very high | 35 Ų | 35 | 11.2 Ų | 11.2 | 13% | 0.133 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 164.7 | -175.4 | 61.2 | 93.6 | 0 | 0 | 0 | 112.3 | P218 Y220 G237 E238 N239 Y327 | P218-W338 HydrophobicContact CB-CH2 4.33Å; P218-W338 HydrophobicContact CB-CZ3 4.19Å; Y220-W338 AromaticContact CD2-CD2 3.63Å; Y220-W338 HydrophobicContact CD2-CD2 3.63Å; Y220-W338 AromaticContact CD2-CE2 3.55Å; Y220-W338 HydrophobicContact CD2-CE3 4.11Å; Y220-W338 AromaticContact CD2-CG 3.92Å; Y220-W338 HydrophobicContact CD2-CG 3.92Å; Y220-W338 HydrophobicContact CD2-CH2 4.37Å; Y220-W338 AromaticContact CD2-CZ2 3.96Å; Y220-W338 HydrophobicContact CD2-CZ2 3.96Å; Y220-W338 HydrophobicContact CD2-CZ3 4.44Å; Y220-W338 AromaticContact CD2-NE1 3.79Å; Y220-W338 HydrophobicContact CE2-CD2 4.46Å; Y220-W338 HydrophobicContact CE2-CG 4.43Å; Y220-W338 AromaticContact CE2-NE1 3.96Å; Y220-W338 AromaticContact CG-CD2 3.95Å; Y220-W338 HydrophobicContact CG-CD2 3.95Å; Y220-W338 HydrophobicContact CG-CE3 4.13Å; Y220-W338 HydrophobicContact CG-CG 4.15Å; G237-W338 PolarHBondContact O-N 2.81Å; E238-W338 HydrophobicContact CB-CZ2 4.17Å; N239-W338 WeakPolarHBondContact CB-O 3.32Å; N239-W338 PolarHBondContact N-O 3.3Å; N239-W338 PolarHBondContact ND2-O 3.46Å; Y327-W338 HydrophobicContact CD2-CB 4.15Å; Y327-W338 HydrophobicContact CD2-CG 4.37Å; Y327-W338 HydrophobicContact CE2-CB 3.65Å; Y327-W338 HydrophobicContact CE2-CG 4.27Å |
| 339 | V | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | L233 N239 M241 Y275 F328 H330 | L233-V339 HydrophobicContact CD1-CG2 4.01Å; L233-V339 HydrophobicContact CD2-CG2 3.7Å; N239-V339 HydrophobicContact CB-CG2 4.34Å; N239-V339 WeakPolarHBondContact O-CA 3.49Å; M241-V339 HydrophobicContact CB-CG1 3.68Å; M241-V339 HydrophobicContact CE-CG1 3.84Å; M241-V339 HydrophobicContact SD-CG1 4.19Å; Y275-V339 HydrophobicContact CE1-CG2 4.42Å; F328-V339 HydrophobicContact CB-CG1 4.14Å; F328-V339 PolarHBondContact N-O 3.15Å; H330-V339 HydrophobicContact CB-CB 4Å; H330-V339 HydrophobicContact CB-CG2 3.61Å |
| 340 | T | 94.9 | Very high | 93.2 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 12% | 0.117 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.5 | 163.2 | -65.8 | 0 | 0 | 0 | 0 | 107.1 | E238 N239 L240 M241 N326 | E238-T340 WeakPolarHBondContact OE1-CB 3.15Å; E238-T340 PolarHBondContact OE1-OG1 2.91Å; N239-T340 PolarHBondContact O-N 3.33Å; L240-T340 WeakPolarHBondContact CA-O 3.18Å; L240-T340 HydrophobicContact CD2-CG2 4.24Å; M241-T340 PolarHBondContact N-O 3.28Å; N326-T340 CarbonylContact O-C 3.25Å; N326-T340 WeakPolarHBondContact O-CA 2.99Å |
| 341 | A | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 145 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M241 I243 F324 K325 N326 F328 | M241-A341 HydrophobicContact CB-CB 4.45Å; M241-A341 HydrophobicContact CE-CB 4.23Å; M241-A341 CarbonylContact O-C 3.6Å; M241-A341 VanDerWaalsContact O-CA 3.26Å; M241-A341 WeakPolarHBondContact O-CA 2.98Å; I243-A341 HydrophobicContact CD1-CB 4.02Å; I243-A341 HydrophobicContact CG1-CB 4.49Å; F324-A341 HydrophobicContact CE1-CB 4.37Å; K325-A341 WeakPolarHBondContact CA-O 3.37Å; N326-A341 PolarHBondContact N-O 3.38Å; N326-A341 PolarHBondContact O-N 2.96Å; F328-A341 HydrophobicContact CB-CB 3.46Å; F328-A341 VanDerWaalsContact CB-CB 3.46Å; F328-A341 HydrophobicContact CD1-CB 4.37Å; F328-A341 HydrophobicContact CD2-CB 3.92Å; F328-A341 HydrophobicContact CG-CB 3.67Å |
| 342 | T | 96.1 | Very high | 93.2 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.8 | 160.5 | -49.7 | 0 | 0 | 0 | 0 | 108.7 | M241 R242 I243 T322 F324 K325 Y344 | M241-T342 PolarHBondContact O-N 2.99Å; R242-T342 WeakPolarHBondContact CA-O 3.38Å; I243-T342 PolarHBondContact N-O 3.27Å; T322-T342 HydrophobicContact CG2-CG2 3.89Å; F324-T342 CarbonylContact O-C 3.55Å; F324-T342 VanDerWaalsContact O-CA 3.3Å; F324-T342 WeakPolarHBondContact O-CA 3.36Å; K325-T342 HydrophobicContact CB-CG2 4.23Å; K325-T342 HydrophobicContact CD-CG2 4.39Å; K325-T342 HydrophobicContact CG-CG2 4.26Å; T342-Y344 HydrophobicContact CG2-CD1 4.29Å; T342-Y344 HydrophobicContact CG2-CD2 4.21Å; T342-Y344 HydrophobicContact CG2-CE1 3.67Å; T342-Y344 HydrophobicContact CG2-CE2 3.57Å; T342-Y344 WeakPolarHBondContact CG2-OH 3.49Å; T342-Y344 WeakPolarHBondContact O-CD2 3.08Å; T342-Y344 WeakPolarHBondContact O-CE2 3.26Å |
| 343 | V | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 123.6 | 176 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | I243 V245 L323 F324 I416 | I243-V343 HydrophobicContact CB-CG2 4.14Å; I243-V343 HydrophobicContact CD1-CG2 4.16Å; I243-V343 CarbonylContact O-C 3.55Å; I243-V343 VanDerWaalsContact O-CA 3.29Å; I243-V343 WeakPolarHBondContact O-CA 3.45Å; V245-V343 HydrophobicContact CG2-CG1 3.86Å; L323-V343 HydrophobicContact CB-CB 4.3Å; L323-V343 HydrophobicContact CB-CG1 4.07Å; L323-V343 HydrophobicContact CD1-CG1 4.25Å; L323-V343 PolarHBondContact N-O 3.3Å; F324-V343 HydrophobicContact CB-CB 3.89Å; F324-V343 HydrophobicContact CB-CG2 3.78Å; F324-V343 HydrophobicContact CD1-CG2 4.11Å; F324-V343 HydrophobicContact CG-CG2 4.33Å; F324-V343 PolarHBondContact O-N 3.48Å; V343-I416 HydrophobicContact CG1-CG2 3.53Å; V343-I416 HydrophobicContact CG2-CD1 3.89Å; V343-I416 HydrophobicContact CG2-CG2 4.47Å |
| 344 | Y | 95.4 | Very high | 93.6 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 10% | 0.102 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.1 | -178.6 | -59.6 | -87.3 | 0 | 0 | 0 | 109.7 | R242 I243 V245 L317 A320 H321 T342 | R242-Y344 HydrophobicContact CB-CE2 4.01Å; R242-Y344 HydrophobicContact CG-CE2 3.97Å; I243-Y344 PolarHBondContact O-N 2.93Å; V245-Y344 PolarHBondContact N-O 3.04Å; L317-Y344 HydrophobicContact CD1-CD1 4.31Å; L317-Y344 HydrophobicContact CD1-CD2 3.45Å; L317-Y344 VanDerWaalsContact CD1-CD2 3.45Å; L317-Y344 HydrophobicContact CD1-CE2 3.94Å; L317-Y344 HydrophobicContact CD1-CG 3.64Å; L317-Y344 HydrophobicContact CD2-CD2 4.44Å; L317-Y344 HydrophobicContact CD2-CE2 4.09Å; L317-Y344 HydrophobicContact CG-CD1 4.29Å; L317-Y344 HydrophobicContact CG-CD2 3.9Å; L317-Y344 HydrophobicContact CG-CE1 4.28Å; L317-Y344 HydrophobicContact CG-CE2 3.9Å; L317-Y344 HydrophobicContact CG-CG 4.07Å; L317-Y344 WeakPolarHBondContact O-CD1 3.32Å; L317-Y344 VanDerWaalsContact O-CE1 3.24Å; L317-Y344 WeakPolarHBondContact O-CE1 3.5Å; A320-Y344 HydrophobicContact CB-CD1 4.02Å; A320-Y344 HydrophobicContact CB-CG 4.39Å; H321-Y344 CarbonylContact O-C 3.49Å; H321-Y344 WeakPolarHBondContact O-CA 3.36Å; T342-Y344 HydrophobicContact CG2-CD1 4.29Å; T342-Y344 HydrophobicContact CG2-CD2 4.21Å; T342-Y344 HydrophobicContact CG2-CE1 3.67Å; T342-Y344 HydrophobicContact CG2-CE2 3.57Å; T342-Y344 WeakPolarHBondContact CG2-OH 3.49Å; T342-Y344 WeakPolarHBondContact O-CD2 3.08Å; T342-Y344 WeakPolarHBondContact O-CE2 3.26Å |
| 345 | L | 94.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.9 | 170.1 | -176.6 | 58.7 | 0 | 0 | 0 | 109.1 | V245 L247 H321 L323 F347 A420 I423 | V245-L345 HydrophobicContact CB-CD1 4.25Å; V245-L345 HydrophobicContact CG1-CD1 4.24Å; L247-L345 HydrophobicContact CD1-CD1 3.53Å; L247-L345 HydrophobicContact CG-CD1 3.98Å; H321-L345 HydrophobicContact CB-CB 4.31Å; H321-L345 PolarHBondContact N-O 3.04Å; H321-L345 PolarHBondContact O-N 3.49Å; L323-L345 HydrophobicContact CD1-CB 3.9Å; L323-L345 HydrophobicContact CD1-CD1 4.41Å; L323-L345 HydrophobicContact CD1-CD2 4.42Å; L323-L345 HydrophobicContact CD1-CG 4.49Å; L323-L345 HydrophobicContact CD2-CB 4.24Å; L323-L345 HydrophobicContact CD2-CD2 4.15Å; L323-L345 HydrophobicContact CG-CB 3.85Å; L345-F347 HydrophobicContact CD2-CE2 3.69Å; L345-F347 HydrophobicContact CD2-CZ 3.86Å; L345-F347 HydrophobicContact CG-CD2 4.44Å; L345-F347 HydrophobicContact CG-CE2 3.85Å; L345-F347 HydrophobicContact CG-CZ 4.2Å; L345-A420 HydrophobicContact CD1-CB 3.89Å; L345-I423 HydrophobicContact CD2-CG2 4.44Å |
| 346 | I | 94.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.6 | -178.5 | -59.9 | 174.2 | 0 | 0 | 0 | 108.7 | P244 V245 I246 L247 F292 L317 A320 E351 F354 | P244-I346 HydrophobicContact CB-CD1 4Å; V245-I346 PolarHBondContact O-N 3.47Å; I246-I346 WeakPolarHBondContact CA-O 3.33Å; I246-I346 HydrophobicContact CG1-CB 4.31Å; I246-I346 HydrophobicContact CG1-CD1 4.32Å; L247-I346 PolarHBondContact N-O 3.35Å; F292-I346 HydrophobicContact CZ-CD1 3.97Å; L317-I346 HydrophobicContact CD1-CD1 4.2Å; A320-I346 HydrophobicContact CB-CG1 3.79Å; I346-E351 HydrophobicContact CG2-CB 4.34Å; I346-F354 HydrophobicContact CD1-CE2 4.36Å; I346-F354 HydrophobicContact CD1-CZ 4.14Å; I346-F354 HydrophobicContact CG2-CD2 3.89Å; I346-F354 HydrophobicContact CG2-CE2 3.55Å; I346-F354 HydrophobicContact CG2-CZ 4.29Å |
| 347 | F | 93.1 | Very high | 94.1 | Very high | 48 Ų | 48 | 33.6 Ų | 33.6 | 21% | 0.211 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128 | 169 | -69.8 | -79.3 | 0 | 0 | 0 | 110.3 | L247 L345 K349 E350 E351 S424 | L247-F347 HydrophobicContact CB-CD1 4.08Å; L247-F347 HydrophobicContact CB-CE1 4.17Å; L247-F347 HydrophobicContact CD1-CE1 4.01Å; L247-F347 HydrophobicContact CD1-CZ 4.4Å; L247-F347 WeakPolarHBondContact O-CA 3.11Å; L345-F347 HydrophobicContact CD2-CE2 3.69Å; L345-F347 HydrophobicContact CD2-CZ 3.86Å; L345-F347 HydrophobicContact CG-CD2 4.44Å; L345-F347 HydrophobicContact CG-CE2 3.85Å; L345-F347 HydrophobicContact CG-CZ 4.2Å; F347-K349 PolarHBondContact O-N 3.33Å; F347-E350 HydrophobicContact CB-CG 4.33Å; F347-E350 PolarHBondContact O-N 2.69Å; F347-E351 PolarHBondContact O-N 2.89Å; F347-S424 WeakPolarHBondContact CE1-OG 3.45Å; F347-S424 WeakPolarHBondContact CZ-OG 3.38Å |
| 348 | T | 93.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -11.5 | 178 | 74.2 | 0 | 0 | 0 | 0 | 113.6 | I246 L247 R248 E351 P352 F354 N355 W370 | I246-T348 HydrophobicContact CG2-CG2 3.86Å; L247-T348 WeakPolarHBondContact O-CG2 3.49Å; L247-T348 PolarHBondContact O-N 3Å; R248-T348 HydrophobicContact CB-CG2 3.84Å; R248-T348 WeakPolarHBondContact CB-OG1 3.16Å; T348-E351 WeakPolarHBondContact CA-O 3.22Å; T348-E351 CarbonylContact O-C 3.56Å; T348-E351 VanDerWaalsContact O-C 3.25Å; T348-P352 VanDerWaalsContact O-CA 3.25Å; T348-P352 WeakPolarHBondContact O-CA 3.4Å; T348-F354 HydrophobicContact CG2-CB 3.54Å; T348-F354 HydrophobicContact CG2-CG 4.41Å; T348-N355 PolarHBondContact O-ND2 3.31Å; T348-N355 PolarHBondContact OG1-ND2 3.33Å; T348-N355 PolarHBondContact OG1-OD1 3.04Å; T348-N355 VanDerWaalsContact OG1-OD1 3.1Å; T348-W370 HydrophobicContact CG2-CH2 3.72Å; T348-W370 HydrophobicContact CG2-CZ2 4.3Å |
| 349 | K | 90.8 | Very high | 94.5 | Very high | 191 Ų | 191 | 35.2 Ų | 35.2 | 83% | 0.83 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -38.8 | 169.7 | -176 | -177.4 | 175.4 | -171.7 | 0 | 111.4 | F347 | F347-K349 PolarHBondContact O-N 3.33Š|
| 350 | E | 89.8 | Confident | 94.5 | Very high | 110 Ų | 110 | 40.7 Ų | 40.7 | 51% | 0.514 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -34.1 | 177.8 | -65.1 | 169.6 | -174.3 | 0 | 0 | 110.3 | F347 | F347-E350 HydrophobicContact CB-CG 4.33Å; F347-E350 PolarHBondContact O-N 2.69Å |
| 351 | E | 92.9 | Very high | 94.4 | Very high | 42 Ų | 42 | 42 Ų | 42 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | trans | -126.4 | 84.9 | 178.9 | -67.4 | -66.4 | 172.4 | 0 | 0 | 111.9 | A316 I346 F347 T348 C353 F354 | A316-E351 HydrophobicContact CB-CB 4.08Å; A316-E351 HydrophobicContact CB-CG 3.51Å; I346-E351 HydrophobicContact CG2-CB 4.34Å; F347-E351 PolarHBondContact O-N 2.89Å; T348-E351 WeakPolarHBondContact CA-O 3.22Å; T348-E351 CarbonylContact O-C 3.56Å; T348-E351 VanDerWaalsContact O-C 3.25Å; E351-C353 PolarHBondContact O-N 3.12Å; E351-F354 HydrophobicContact CB-CD2 3.98Å; E351-F354 HydrophobicContact CB-CE2 3.99Å; E351-F354 WeakPolarHBondContact O-CD2 3.14Å; E351-F354 PolarHBondContact O-N 3.25Å | ||
| 352 | P | 93 | Very high | 94.2 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -63.7 | -16 | -172.7 | -25.8 | 35.5 | 0 | 0 | 0 | 115.6 | T348 F354 N355 | T348-P352 VanDerWaalsContact O-CA 3.25Å; T348-P352 WeakPolarHBondContact O-CA 3.4Å; P352-F354 PolarHBondContact O-N 3.14Å; P352-N355 WeakPolarHBondContact O-CB 3.15Å; P352-N355 PolarHBondContact O-N 2.89Å |
| 353 | C | 96.2 | Very high | 94 | Very high | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -61.1 | -27.9 | -178.8 | -75.9 | 0 | 0 | 0 | 0 | 113.5 | C308 F313 E351 N355 H356 | C308-C353 WeakPolarHBondContact CA-SG 3.32Å; C308-C353 HydrophobicContact CB-CB 3.73Å; C308-C353 WeakPolarHBondContact CB-SG 3.34Å; C308-C353 WeakPolarHBondContact SG-CA 3.39Å; C308-C353 WeakPolarHBondContact SG-CB 3.45Å; C308-C353 CovalentContact SG-SG 2.05Å; C308-C353 PolarHBondContact SG-SG 2.96Å; F313-C353 HydrophobicContact CE1-CB 3.94Å; F313-C353 HydrophobicContact CZ-CB 3.82Å; E351-C353 PolarHBondContact O-N 3.12Å; C353-N355 PolarHBondContact O-N 2.91Å; C353-H356 PolarHBondContact O-N 2.85Å |
| 354 | F | 95.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -65.9 | -18.8 | 171.8 | -66.1 | -74.4 | 0 | 0 | 0 | 113.6 | I246 F292 F296 F313 A316 I346 T348 E351 P352 H356 I357 | I246-F354 HydrophobicContact CD1-CD1 3.72Å; I246-F354 HydrophobicContact CD1-CE1 3.48Å; I246-F354 VanDerWaalsContact CD1-CE1 3.48Å; I246-F354 HydrophobicContact CD1-CZ 4.25Å; I246-F354 HydrophobicContact CG1-CD1 4.39Å; I246-F354 HydrophobicContact CG1-CE1 4.21Å; I246-F354 HydrophobicContact CG2-CB 4.09Å; I246-F354 HydrophobicContact CG2-CD1 3.96Å; I246-F354 HydrophobicContact CG2-CD2 4.31Å; I246-F354 HydrophobicContact CG2-CG 3.85Å; F292-F354 HydrophobicContact CZ-CE1 4.2Å; F292-F354 AromaticContact CZ-CZ 3.79Å; F292-F354 HydrophobicContact CZ-CZ 3.79Å; F296-F354 HydrophobicContact CB-CE1 4.45Å; F296-F354 HydrophobicContact CD1-CD1 4.04Å; F296-F354 AromaticContact CD1-CE1 3.79Å; F296-F354 HydrophobicContact CD1-CE1 3.79Å; F296-F354 HydrophobicContact CD2-CE1 4.26Å; F296-F354 HydrophobicContact CE1-CD1 4.24Å; F296-F354 HydrophobicContact CE1-CE1 4.07Å; F296-F354 AromaticContact CG-CE1 3.9Å; F296-F354 HydrophobicContact CG-CE1 3.9Å; F296-F354 HydrophobicContact CZ-CE1 4.44Å; F313-F354 AromaticContact CD1-CE1 3.85Å; F313-F354 HydrophobicContact CD1-CE1 3.85Å; F313-F354 HydrophobicContact CD1-CE2 4.25Å; F313-F354 AromaticContact CD1-CZ 3.67Å; F313-F354 HydrophobicContact CD1-CZ 3.67Å; F313-F354 HydrophobicContact CE1-CD1 4.11Å; F313-F354 AromaticContact CE1-CE1 3.86Å; F313-F354 HydrophobicContact CE1-CE1 3.86Å; F313-F354 HydrophobicContact CE1-CE2 4.44Å; F313-F354 HydrophobicContact CE1-CZ 4.02Å; A316-F354 HydrophobicContact CB-CE2 4.08Å; I346-F354 HydrophobicContact CD1-CE2 4.36Å; I346-F354 HydrophobicContact CD1-CZ 4.14Å; I346-F354 HydrophobicContact CG2-CD2 3.89Å; I346-F354 HydrophobicContact CG2-CE2 3.55Å; I346-F354 HydrophobicContact CG2-CZ 4.29Å; T348-F354 HydrophobicContact CG2-CB 3.54Å; T348-F354 HydrophobicContact CG2-CG 4.41Å; E351-F354 HydrophobicContact CB-CD2 3.98Å; E351-F354 HydrophobicContact CB-CE2 3.99Å; E351-F354 WeakPolarHBondContact O-CD2 3.14Å; E351-F354 PolarHBondContact O-N 3.25Å; P352-F354 PolarHBondContact O-N 3.14Å; F354-H356 VanDerWaalsContact C-N 3.27Å; F354-I357 WeakPolarHBondContact O-CG1 3.45Å |
| 355 | N | 94.3 | Very high | 93.6 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 35% | 0.353 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -82 | -6.9 | 172.1 | -61.1 | -48.6 | 0 | 0 | 0 | 112.7 | T348 P352 C353 | T348-N355 PolarHBondContact O-ND2 3.31Å; T348-N355 PolarHBondContact OG1-ND2 3.33Å; T348-N355 PolarHBondContact OG1-OD1 3.04Å; T348-N355 VanDerWaalsContact OG1-OD1 3.1Å; P352-N355 WeakPolarHBondContact O-CB 3.15Å; P352-N355 PolarHBondContact O-N 2.89Å; C353-N355 PolarHBondContact O-N 2.91Å |
| 356 | H | 95.4 | Very high | 93.3 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -110.3 | 11.3 | -177.1 | -63.7 | -39.2 | 0 | 0 | 0 | 113.5 | K301 R304 C353 F354 | K301-H356 WeakPolarHBondContact CG-O 3.44Å; K301-H356 PolarHBondContact N-O 3.33Å; R304-H356 HydrophobicContact CB-CB 3.97Å; R304-H356 HydrophobicContact CG-CB 3.88Å; C353-H356 PolarHBondContact O-N 2.85Å; F354-H356 VanDerWaalsContact C-N 3.27Å |
| 357 | I | 96 | Very high | 93.1 | Very high | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -82 | 151 | 173.1 | 69.2 | -172.3 | 0 | 0 | 0 | 111.1 | L257 L299 F354 L359 | L257-I357 HydrophobicContact CD2-CD1 4.47Å; L299-I357 HydrophobicContact CB-CB 3.85Å; L299-I357 HydrophobicContact CB-CG2 4.07Å; L299-I357 CarbonylContact O-C 3.57Å; L299-I357 VanDerWaalsContact O-CA 3.31Å; L299-I357 WeakPolarHBondContact O-CA 2.97Å; F354-I357 WeakPolarHBondContact O-CG1 3.45Å; I357-L359 HydrophobicContact CD1-CD2 3.68Å; I357-L359 HydrophobicContact CD1-CG 4.34Å; I357-L359 HydrophobicContact CG1-CD2 3.97Å; I357-L359 HydrophobicContact CG1-CG 4.26Å |
| 358 | S | 96.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 61 Ų | 61 | 22% | 0.224 | 32% | 0.317 | C | S | . | . | trans | -109.8 | 97.7 | 175.6 | -168.3 | 0 | 0 | 0 | 0 | 109.4 | L299 S360 S361 | L299-S358 PolarHBondContact O-N 2.92Å; S358-S360 PolarHBondContact O-N 3.45Å; S358-S361 WeakPolarHBondContact O-CB 3.46Å; S358-S361 PolarHBondContact O-N 3.2Å | ||
| 359 | L | 95.1 | Very high | 93.1 | Very high | 37 Ų | 37 | 65.3 Ų | 65.3 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -14.5 | -179 | -60.8 | -178.9 | 0 | 0 | 0 | 113.3 | L257 L299 I357 S361 N364 Y368 W370 | L257-L359 HydrophobicContact CD1-CD1 3.6Å; L257-L359 HydrophobicContact CD1-CD2 4.11Å; L299-L359 HydrophobicContact CD1-CD2 4.26Å; I357-L359 HydrophobicContact CD1-CD2 3.68Å; I357-L359 HydrophobicContact CD1-CG 4.34Å; I357-L359 HydrophobicContact CG1-CD2 3.97Å; I357-L359 HydrophobicContact CG1-CG 4.26Å; L359-S361 VanDerWaalsContact C-N 3.3Å; L359-N364 WeakPolarHBondContact O-CB 3.45Å; L359-N364 PolarHBondContact O-ND2 3.32Å; L359-Y368 WeakPolarHBondContact CD1-O 3.28Å; L359-W370 HydrophobicContact CD1-CG 4.13Å |
| 360 | S | 94.5 | Very high | 93.4 | Very high | 116 Ų | 116 | 58.2 Ų | 58.2 | 81% | 0.811 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 3.8 | 172 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | S358 | S358-S360 PolarHBondContact O-N 3.45Š|
| 361 | S | 93.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 53.6 Ų | 53.6 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -74.9 | 147.4 | 178.1 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | S358 L359 A363 N364 | S358-S361 WeakPolarHBondContact O-CB 3.46Å; S358-S361 PolarHBondContact O-N 3.2Å; L359-S361 VanDerWaalsContact C-N 3.3Å; S361-A363 PolarHBondContact O-N 2.84Å; S361-A363 VanDerWaalsContact O-N 3.15Å; S361-A363 PolarHBondContact OG-N 2.86Å; S361-N364 VanDerWaalsContact O-CB 3.28Å; S361-N364 WeakPolarHBondContact O-CB 3.46Å; S361-N364 PolarHBondContact O-N 3.08Å |
| 362 | E | 91.4 | Very high | 93.5 | Very high | 196 Ų | 196 | 55.2 Ų | 55.2 | 92% | 0.916 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.1 | 170.9 | -64.9 | -177.7 | 171.7 | 0 | 0 | 112.7 | N364 | E362-N364 PolarHBondContact O-N 2.77Š|
| 363 | A | 92.4 | Very high | 93.4 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | A298 L299 S361 Y365 | A298-A363 HydrophobicContact CB-CB 4.13Å; L299-A363 HydrophobicContact CD2-CB 3.93Å; S361-A363 PolarHBondContact O-N 2.84Å; S361-A363 VanDerWaalsContact O-N 3.15Å; S361-A363 PolarHBondContact OG-N 2.86Å; A363-Y365 VanDerWaalsContact O-CD1 3.29Å; A363-Y365 WeakPolarHBondContact O-CD1 3.4Å; A363-Y365 PolarHBondContact O-N 3.43Å |
| 364 | N | 93.5 | Very high | 92.8 | Very high | 9 Ų | 9 | 55.4 Ų | 55.4 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | trans | -80.8 | 54.2 | 174.8 | -169.1 | 19.2 | 0 | 0 | 0 | 111.9 | Y295 L299 L359 S361 E362 L366 H367 Y368 | Y295-N364 PolarHBondContact OH-OD1 2.69Å; L299-N364 HydrophobicContact CD2-CB 3.75Å; L359-N364 WeakPolarHBondContact O-CB 3.45Å; L359-N364 PolarHBondContact O-ND2 3.32Å; S361-N364 VanDerWaalsContact O-CB 3.28Å; S361-N364 WeakPolarHBondContact O-CB 3.46Å; S361-N364 PolarHBondContact O-N 3.08Å; E362-N364 PolarHBondContact O-N 2.77Å; N364-L366 PolarHBondContact O-N 2.8Å; N364-L366 VanDerWaalsContact O-N 3.12Å; N364-H367 PolarHBondContact O-N 2.9Å; N364-H367 PolarHBondContact OD1-N 2.67Å; N364-Y368 PolarHBondContact ND2-N 2.97Å; N364-Y368 PolarHBondContact ND2-O 3.25Å; N364-Y368 PolarHBondContact OD1-N 3.09Å | ||
| 365 | Y | 89 | Confident | 92.2 | Very high | 94 Ų | 94 | 57 Ų | 57 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -9.6 | 178.6 | 67.6 | -92.7 | 0 | 0 | 0 | 114 | E290 Y295 A363 H367 | E290-Y365 WeakPolarHBondContact OE2-CE1 3.35Å; E290-Y365 PolarHBondContact OE2-OH 2.77Å; Y295-Y365 HydrophobicContact CD2-CD1 4.38Å; Y295-Y365 AromaticContact CD2-CE1 3.53Å; Y295-Y365 HydrophobicContact CD2-CE1 3.53Å; Y295-Y365 AromaticContact CD2-CZ 3.74Å; Y295-Y365 AromaticContact CE2-CD1 3.97Å; Y295-Y365 HydrophobicContact CE2-CD1 3.97Å; Y295-Y365 AromaticContact CE2-CE1 3.54Å; Y295-Y365 HydrophobicContact CE2-CE1 3.54Å; Y295-Y365 AromaticContact CE2-CZ 3.87Å; A363-Y365 VanDerWaalsContact O-CD1 3.29Å; A363-Y365 WeakPolarHBondContact O-CD1 3.4Å; A363-Y365 PolarHBondContact O-N 3.43Å; Y365-H367 PolarHBondContact O-CD2 3.42Å |
| 366 | L | 87.5 | Confident | 91.9 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -0.1 | 172.2 | -60.6 | 175.9 | 0 | 0 | 0 | 112.2 | V259 Y295 N364 Y368 | V259-L366 WeakPolarHBondContact CG1-O 3.32Å; V259-L366 WeakPolarHBondContact CG2-O 3.18Å; Y295-L366 HydrophobicContact CD2-CD1 4.06Å; Y295-L366 HydrophobicContact CE1-CD1 4.26Å; Y295-L366 HydrophobicContact CE2-CB 4.26Å; Y295-L366 HydrophobicContact CE2-CD1 3.7Å; Y295-L366 HydrophobicContact CE2-CG 3.88Å; Y295-L366 HydrophobicContact CG-CD1 4.48Å; N364-L366 PolarHBondContact O-N 2.8Å; N364-L366 VanDerWaalsContact O-N 3.12Å; L366-Y368 VanDerWaalsContact C-N 3.31Å; L366-Y368 HydrophobicContact CB-CD2 4.01Å; L366-Y368 HydrophobicContact CB-CE2 3.43Å; L366-Y368 VanDerWaalsContact CB-CE2 3.43Å; L366-Y368 HydrophobicContact CD1-CE2 3.7Å; L366-Y368 WeakPolarHBondContact CD1-OH 3.26Å; L366-Y368 HydrophobicContact CG-CE2 4.17Å; L366-Y368 PolarHBondContact O-N 3.22Å |
| 367 | H | 91.4 | Very high | 91.4 | Very high | 115 Ų | 115 | 55.5 Ų | 55.5 | 53% | 0.532 | 30% | 0.297 | S | S | . | . | trans | 53.9 | 42 | 173.8 | -53.3 | -70.5 | 0 | 0 | 0 | 113.9 | N364 Y365 | N364-H367 PolarHBondContact O-N 2.9Å; N364-H367 PolarHBondContact OD1-N 2.67Å; Y365-H367 PolarHBondContact O-CD2 3.42Å | ||
| 368 | Y | 92.7 | Very high | 91 | Very high | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 140.5 | 175.3 | -69.4 | -64 | 0 | 0 | 0 | 111.9 | L257 L258 V259 P272 Y295 L359 N364 L366 | L257-Y368 HydrophobicContact CD2-CD1 4.45Å; L257-Y368 HydrophobicContact CD2-CG 4.09Å; L257-Y368 HydrophobicContact CG-CD1 4.29Å; L257-Y368 HydrophobicContact CG-CG 4.16Å; L258-Y368 CarbonylContact O-C 3.56Å; L258-Y368 WeakPolarHBondContact O-CA 3.28Å; V259-Y368 HydrophobicContact CG2-CD1 3.36Å; V259-Y368 HydrophobicContact CG2-CE1 3.2Å; V259-Y368 HydrophobicContact CG2-CG 4.28Å; P272-Y368 WeakPolarHBondContact CA-OH 3.2Å; P272-Y368 HydrophobicContact CB-CE1 3.85Å; P272-Y368 HydrophobicContact CB-CE2 4.42Å; P272-Y368 WeakPolarHBondContact CB-OH 3.42Å; P272-Y368 HydrophobicContact CG-CE1 4.16Å; Y295-Y368 HydrophobicContact CD1-CE2 4.35Å; Y295-Y368 AromaticContact CE1-CD2 3.57Å; Y295-Y368 HydrophobicContact CE1-CD2 3.57Å; Y295-Y368 AromaticContact CE1-CE2 3.35Å; Y295-Y368 HydrophobicContact CE1-CE2 3.35Å; Y295-Y368 AromaticContact CZ-CD2 3.7Å; Y295-Y368 AromaticContact CZ-CE2 3.55Å; Y295-Y368 WeakPolarHBondContact OH-CD2 3.27Å; Y295-Y368 VanDerWaalsContact OH-CE2 3.31Å; Y295-Y368 WeakPolarHBondContact OH-CE2 3.44Å; L359-Y368 WeakPolarHBondContact CD1-O 3.28Å; N364-Y368 PolarHBondContact ND2-N 2.97Å; N364-Y368 PolarHBondContact ND2-O 3.25Å; N364-Y368 PolarHBondContact OD1-N 3.09Å; L366-Y368 VanDerWaalsContact C-N 3.31Å; L366-Y368 HydrophobicContact CB-CD2 4.01Å; L366-Y368 HydrophobicContact CB-CE2 3.43Å; L366-Y368 VanDerWaalsContact CB-CE2 3.43Å; L366-Y368 HydrophobicContact CD1-CE2 3.7Å; L366-Y368 WeakPolarHBondContact CD1-OH 3.26Å; L366-Y368 HydrophobicContact CG-CE2 4.17Å; L366-Y368 PolarHBondContact O-N 3.22Å |
| 369 | E | 95.2 | Very high | 90.6 | Very high | 98 Ų | 98 | 60.2 Ų | 60.2 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 155.8 | 176.9 | -62.8 | -166.9 | 172 | 0 | 0 | 111.2 | L257 L258 E371 | L257-E369 WeakPolarHBondContact CA-O 3.5Å; L258-E369 PolarHBondContact N-O 3.07Å; L258-E369 PolarHBondContact O-N 2.76Å; E369-E371 PolarHBondContact O-N 3.15Å |
| 370 | W | 95.2 | Very high | 90.4 | Very high | 41 Ų | 41 | 61 Ų | 61 | 16% | 0.155 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 104.1 | 176 | -78 | 110.8 | 0 | 0 | 0 | 110.4 | I246 R248 K255 L257 T348 L359 | I246-W370 HydrophobicContact CG2-CH2 3.83Å; I246-W370 HydrophobicContact CG2-CZ3 4.49Å; R248-W370 HydrophobicContact CB-CH2 4.21Å; R248-W370 HydrophobicContact CB-CZ3 4.21Å; R248-W370 HydrophobicContact CG-CD2 4.4Å; R248-W370 HydrophobicContact CG-CE3 3.9Å; R248-W370 HydrophobicContact CG-CH2 3.94Å; R248-W370 HydrophobicContact CG-CZ2 4.45Å; R248-W370 HydrophobicContact CG-CZ3 3.65Å; R248-W370 VanDerWaalsContact CZ-CD1 3.48Å; R248-W370 VanDerWaalsContact CZ-CG 3.47Å; K255-W370 HydrophobicContact CB-CB 4.49Å; K255-W370 HydrophobicContact CB-CE3 3.91Å; K255-W370 HydrophobicContact CD-CB 4.22Å; L257-W370 HydrophobicContact CB-CE3 4.15Å; L257-W370 HydrophobicContact CB-CH2 4.32Å; L257-W370 HydrophobicContact CB-CZ3 3.99Å; L257-W370 HydrophobicContact CD1-CD2 3.88Å; L257-W370 HydrophobicContact CD1-CE3 4.25Å; L257-W370 HydrophobicContact CD1-CG 4.21Å; L257-W370 HydrophobicContact CD1-CZ2 4.28Å; T348-W370 HydrophobicContact CG2-CH2 3.72Å; T348-W370 HydrophobicContact CG2-CZ2 4.3Å; L359-W370 HydrophobicContact CD1-CG 4.13Å |
| 371 | E | 94.1 | Very high | 90.1 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132.6 | -177.7 | -64.9 | -57.1 | 147.7 | 0 | 0 | 112.2 | F45 K255 I256 L258 R260 E369 F373 | F45-E371 HydrophobicContact CE1-CG 4.25Å; F45-E371 HydrophobicContact CE2-CG 4.44Å; F45-E371 HydrophobicContact CZ-CB 4.38Å; F45-E371 HydrophobicContact CZ-CG 3.59Å; K255-E371 CarbonylContact C-O 3.51Å; K255-E371 WeakPolarHBondContact CA-O 3.5Å; I256-E371 HydrophobicContact CG2-CB 4.15Å; I256-E371 PolarHBondContact N-O 3.22Å; I256-E371 PolarHBondContact O-N 3.14Å; L258-E371 HydrophobicContact CB-CG 3.84Å; L258-E371 HydrophobicContact CD1-CB 3.99Å; L258-E371 HydrophobicContact CD1-CG 4.01Å; L258-E371 HydrophobicContact CG-CB 4.37Å; L258-E371 HydrophobicContact CG-CG 4.22Å; R260-E371 IonicContact CZ-OE1 3.48Å; R260-E371 IonicContact CZ-OE2 3.4Å; R260-E371 VanDerWaalsContact NE-CD 3.31Å; R260-E371 IonicContact NE-OE1 3.94Å; R260-E371 PolarHBondContact NE-OE1 2.96Å; R260-E371 IonicContact NE-OE2 2.65Å; R260-E371 PolarHBondContact NE-OE2 2.76Å; R260-E371 IonicContact NH2-OE1 3.36Å; R260-E371 PolarHBondContact NH2-OE1 2.89Å; R260-E371 IonicContact NH2-OE2 2.68Å; R260-E371 PolarHBondContact NH2-OE2 3.47Å; E369-E371 PolarHBondContact O-N 3.15Å; E371-F373 HydrophobicContact CB-CE2 4Å |
| 372 | L | 92.4 | Very high | 89.9 | Confident | 76 Ų | 76 | 53.7 Ų | 53.7 | 40% | 0.398 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.1 | -177.3 | -173.9 | 123.9 | 0 | 0 | 0 | 110.1 | F253 K255 | F253-L372 HydrophobicContact CB-CD1 3.56Å; F253-L372 HydrophobicContact CB-CG 3.96Å; F253-L372 HydrophobicContact CD1-CD1 4.24Å; F253-L372 HydrophobicContact CD1-CD2 3.8Å; F253-L372 HydrophobicContact CD1-CG 4.18Å; F253-L372 HydrophobicContact CD2-CD1 4.3Å; F253-L372 HydrophobicContact CE1-CD2 4.27Å; F253-L372 HydrophobicContact CG-CD1 3.78Å; F253-L372 HydrophobicContact CG-CD2 4.21Å; F253-L372 HydrophobicContact CG-CG 4.18Å; K255-L372 HydrophobicContact CG-CB 4.34Å; K255-L372 HydrophobicContact CG-CD1 4.19Å |
| 373 | F | 90.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143.3 | 176.3 | -78.6 | -98.6 | 0 | 0 | 0 | 111.2 | D41 I42 F45 Y254 I256 L258 E371 E375 I378 L418 L421 | D41-F373 HydrophobicContact CB-CD1 4.11Å; D41-F373 HydrophobicContact CB-CE1 4.07Å; I42-F373 HydrophobicContact CG2-CE1 4.02Å; F45-F373 HydrophobicContact CE2-CZ 4.39Å; Y254-F373 PolarHBondContact O-N 3.39Å; Y254-F373 VanDerWaalsContact O-N 3.09Å; I256-F373 HydrophobicContact CG2-CD2 3.63Å; I256-F373 HydrophobicContact CG2-CE2 3.37Å; I256-F373 HydrophobicContact CG2-CZ 4.46Å; L258-F373 HydrophobicContact CD1-CE2 3.94Å; L258-F373 HydrophobicContact CD1-CZ 4.17Å; E371-F373 HydrophobicContact CB-CE2 4Å; F373-E375 PolarHBondContact O-N 2.68Å; F373-I378 HydrophobicContact CB-CD1 4.14Å; F373-I378 HydrophobicContact CB-CG1 3.98Å; F373-I378 HydrophobicContact CD1-CD1 4.08Å; F373-I378 HydrophobicContact CG-CD1 4.42Å; F373-L418 HydrophobicContact CD1-CD2 4.33Å; F373-L418 HydrophobicContact CE1-CD2 3.88Å; F373-L421 HydrophobicContact CB-CD1 4.14Å; F373-L421 HydrophobicContact CD1-CD1 3.99Å; F373-L421 HydrophobicContact CD2-CD1 3.76Å; F373-L421 HydrophobicContact CE1-CD1 4.35Å; F373-L421 HydrophobicContact CE2-CD1 4.16Å; F373-L421 HydrophobicContact CG-CD1 3.67Å; F373-L421 HydrophobicContact CZ-CD1 4.43Å |
| 374 | N | 83.2 | Confident | 89.6 | Confident | 73 Ų | 73 | 45.6 Ų | 45.6 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | trans | -67.1 | 119.5 | 177.4 | -174.7 | -63.2 | 0 | 0 | 0 | 111.3 | S376 A377 I378 | N374-S376 VanDerWaalsContact C-N 3.29Å; N374-S376 PolarHBondContact O-N 3.2Å; N374-S376 WeakPolarHBondContact OD1-CA 3.4Å; N374-S376 WeakPolarHBondContact OD1-CB 3.24Å; N374-S376 PolarHBondContact OD1-N 2.84Å; N374-A377 HydrophobicContact CB-CB 4.08Å; N374-A377 PolarHBondContact O-N 2.96Å; N374-A377 PolarHBondContact OD1-N 3.28Å; N374-A377 VanDerWaalsContact OD1-N 3.17Å; N374-I378 WeakPolarHBondContact O-CG1 3.43Å; N374-I378 PolarHBondContact O-N 2.9Å | ||
| 375 | E | 83.3 | Confident | 89.2 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.4 | -36.3 | -177.7 | -173.1 | -178.9 | -167.6 | 0 | 0 | 112.6 | N252 F373 I378 R379 | N252-E375 WeakPolarHBondContact O-CB 3.26Å; F373-E375 PolarHBondContact O-N 2.68Å; E375-I378 PolarHBondContact O-N 3.48Å; E375-R379 HydrophobicContact CG-CG 4.3Å; E375-R379 WeakPolarHBondContact O-CB 3.25Å; E375-R379 VanDerWaalsContact O-CG 3.27Å; E375-R379 WeakPolarHBondContact O-CG 3.34Å; E375-R379 PolarHBondContact O-N 3.08Å; E375-R379 IonicContact OE1-CZ 3.28Å; E375-R379 VanDerWaalsContact OE1-CZ 3.28Å; E375-R379 IonicContact OE1-NE 3.11Å; E375-R379 PolarHBondContact OE1-NE 2.87Å; E375-R379 VanDerWaalsContact OE1-NE 3.11Å; E375-R379 IonicContact OE1-NH2 2.68Å; E375-R379 PolarHBondContact OE1-NH2 3.49Å; E375-R379 IonicContact OE2-NH2 3.74Å |
| 376 | S | 87.2 | Confident | 89 | Confident | 81 Ų | 81 | 44.6 Ų | 44.6 | 57% | 0.566 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64 | -43.6 | 177.8 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | N374 R379 S380 | N374-S376 VanDerWaalsContact C-N 3.29Å; N374-S376 PolarHBondContact O-N 3.2Å; N374-S376 WeakPolarHBondContact OD1-CA 3.4Å; N374-S376 WeakPolarHBondContact OD1-CB 3.24Å; N374-S376 PolarHBondContact OD1-N 2.84Å; S376-R379 PolarHBondContact O-N 2.89Å; S376-S380 PolarHBondContact O-N 3.27Å; S376-S380 PolarHBondContact O-OG 3.15Å; S376-S380 VanDerWaalsContact O-OG 3.12Å |
| 377 | A | 85.3 | Confident | 88.8 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | T37 L38 N374 R379 S380 L381 | T37-A377 HydrophobicContact CG2-CB 4.2Å; L38-A377 HydrophobicContact CD2-CB 3.51Å; L38-A377 HydrophobicContact CG-CB 4.02Å; N374-A377 HydrophobicContact CB-CB 4.08Å; N374-A377 PolarHBondContact O-N 2.96Å; N374-A377 PolarHBondContact OD1-N 3.28Å; N374-A377 VanDerWaalsContact OD1-N 3.17Å; A377-R379 PolarHBondContact O-N 3.1Å; A377-S380 WeakPolarHBondContact O-CB 3.39Å; A377-S380 PolarHBondContact O-N 2.95Å; A377-L381 PolarHBondContact O-N 2.88Å |
| 378 | I | 87.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 175.9 | -60.2 | -54.9 | 0 | 0 | 0 | 111.9 | L38 F373 N374 E375 L381 A382 L418 L421 T425 | L38-I378 HydrophobicContact CD2-CD1 4.28Å; F373-I378 HydrophobicContact CB-CD1 4.14Å; F373-I378 HydrophobicContact CB-CG1 3.98Å; F373-I378 HydrophobicContact CD1-CD1 4.08Å; F373-I378 HydrophobicContact CG-CD1 4.42Å; N374-I378 WeakPolarHBondContact O-CG1 3.43Å; N374-I378 PolarHBondContact O-N 2.9Å; E375-I378 PolarHBondContact O-N 3.48Å; I378-L381 WeakPolarHBondContact O-CB 3.48Å; I378-L381 PolarHBondContact O-N 3.06Å; I378-A382 PolarHBondContact O-N 3.48Å; I378-L418 HydrophobicContact CD1-CD2 4.37Å; I378-L421 HydrophobicContact CD1-CB 3.97Å; I378-L421 HydrophobicContact CD1-CD1 3.93Å; I378-L421 HydrophobicContact CG1-CB 4.32Å; I378-L421 VanDerWaalsContact CG2-C 3.47Å; I378-L421 HydrophobicContact CG2-CB 3.84Å; I378-L421 WeakPolarHBondContact CG2-O 3.44Å; I378-T425 HydrophobicContact CB-CG2 4.35Å; I378-T425 HydrophobicContact CG2-CG2 3.58Å |
| 379 | R | 88.8 | Confident | 88 | Confident | 142 Ų | 142 | 48.5 Ų | 48.5 | 54% | 0.536 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 173.6 | -75.6 | 179.1 | -176.3 | -161.8 | 6.5 | 112.1 | E375 S376 A377 L381 A382 A383 | E375-R379 HydrophobicContact CG-CG 4.3Å; E375-R379 WeakPolarHBondContact O-CB 3.25Å; E375-R379 VanDerWaalsContact O-CG 3.27Å; E375-R379 WeakPolarHBondContact O-CG 3.34Å; E375-R379 PolarHBondContact O-N 3.08Å; E375-R379 IonicContact OE1-CZ 3.28Å; E375-R379 VanDerWaalsContact OE1-CZ 3.28Å; E375-R379 IonicContact OE1-NE 3.11Å; E375-R379 PolarHBondContact OE1-NE 2.87Å; E375-R379 VanDerWaalsContact OE1-NE 3.11Å; E375-R379 IonicContact OE1-NH2 2.68Å; E375-R379 PolarHBondContact OE1-NH2 3.49Å; E375-R379 IonicContact OE2-NH2 3.74Å; S376-R379 PolarHBondContact O-N 2.89Å; A377-R379 PolarHBondContact O-N 3.1Å; R379-L381 VanDerWaalsContact C-N 3.3Å; R379-L381 PolarHBondContact O-N 3.45Å; R379-A382 PolarHBondContact O-N 2.93Å; R379-A383 WeakPolarHBondContact O-CB 2.84Å; R379-A383 PolarHBondContact O-N 3.26Å |
| 380 | S | 89.7 | Confident | 87.5 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 38% | 0.378 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 172.5 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | S376 A377 A383 L384 | S376-S380 PolarHBondContact O-N 3.27Å; S376-S380 PolarHBondContact O-OG 3.15Å; S376-S380 VanDerWaalsContact O-OG 3.12Å; A377-S380 WeakPolarHBondContact O-CB 3.39Å; A377-S380 PolarHBondContact O-N 2.95Å; S380-A383 PolarHBondContact O-N 2.91Å; S380-L384 PolarHBondContact O-N 2.86Å |
| 381 | L | 89.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 173.6 | 174.7 | 59.3 | 0 | 0 | 0 | 111.8 | V34 M35 A377 I378 R379 A383 L384 L385 L418 A422 F442 | V34-L381 HydrophobicContact CG1-CB 4.03Å; M35-L381 HydrophobicContact CE-CD1 4.32Å; A377-L381 PolarHBondContact O-N 2.88Å; I378-L381 WeakPolarHBondContact O-CB 3.48Å; I378-L381 PolarHBondContact O-N 3.06Å; R379-L381 VanDerWaalsContact C-N 3.3Å; R379-L381 PolarHBondContact O-N 3.45Å; L381-A383 VanDerWaalsContact C-N 3.29Å; L381-A383 PolarHBondContact O-N 2.85Å; L381-L384 WeakPolarHBondContact O-CB 3.23Å; L381-L384 PolarHBondContact O-N 2.92Å; L381-L384 VanDerWaalsContact O-N 3.15Å; L381-L385 HydrophobicContact CD1-CD1 4.02Å; L381-L385 HydrophobicContact CD1-CG 4Å; L381-L385 HydrophobicContact CG-CD1 4.15Å; L381-L385 WeakPolarHBondContact O-CG 3.33Å; L381-L385 PolarHBondContact O-N 3.39Å; L381-L418 HydrophobicContact CD2-CB 3.88Å; L381-A422 HydrophobicContact CD2-CB 4.12Å; L381-A422 HydrophobicContact CG-CB 4.02Å; L381-F442 HydrophobicContact CD1-CD2 3.95Å; L381-F442 HydrophobicContact CD1-CE2 3.25Å; L381-F442 HydrophobicContact CD1-CZ 3.98Å; L381-F442 HydrophobicContact CD2-CE2 4.35Å; L381-F442 HydrophobicContact CD2-CZ 4.34Å; L381-F442 HydrophobicContact CG-CE2 4.43Å |
| 382 | A | 89.2 | Confident | 86.5 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I378 R379 L385 S386 A422 | I378-A382 PolarHBondContact O-N 3.48Å; R379-A382 PolarHBondContact O-N 2.93Å; A382-L385 PolarHBondContact O-N 3.33Å; A382-S386 PolarHBondContact O-N 2.88Å; A382-S386 VanDerWaalsContact O-N 3.09Å; A382-S386 PolarHBondContact O-OG 3.11Å; A382-A422 HydrophobicContact CB-CB 4.04Å |
| 383 | A | 88.9 | Confident | 86 | Confident | 44 Ų | 44 | 50.2 Ų | 50.2 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.4 | -29.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R379 S380 L381 S386 K387 | R379-A383 WeakPolarHBondContact O-CB 2.84Å; R379-A383 PolarHBondContact O-N 3.26Å; S380-A383 PolarHBondContact O-N 2.91Å; L381-A383 VanDerWaalsContact C-N 3.29Å; L381-A383 PolarHBondContact O-N 2.85Å; A383-S386 PolarHBondContact O-OG 3.34Å; A383-S386 VanDerWaalsContact O-OG 3.12Å; A383-K387 WeakPolarHBondContact O-CD 3.36Å; A383-K387 WeakPolarHBondContact O-CE 3.47Å; A383-K387 VanDerWaalsContact O-CG 3.29Å; A383-K387 WeakPolarHBondContact O-CG 3.37Å |
| 384 | L | 88.3 | Confident | 85.6 | Confident | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.8 | -48.3 | 172.4 | 178.4 | 64 | 0 | 0 | 0 | 110.7 | F27 N30 F31 V34 S380 L381 S386 K387 | F27-L384 HydrophobicContact CD2-CD1 3.7Å; F27-L384 HydrophobicContact CD2-CG 4.29Å; F27-L384 HydrophobicContact CE2-CD1 3.64Å; F27-L384 HydrophobicContact CE2-CD2 4.32Å; F27-L384 HydrophobicContact CE2-CG 3.7Å; F27-L384 HydrophobicContact CZ-CD1 4.5Å; F27-L384 HydrophobicContact CZ-CD2 4.45Å; F27-L384 HydrophobicContact CZ-CG 4.27Å; N30-L384 HydrophobicContact CB-CD1 3.78Å; F31-L384 HydrophobicContact CB-CD2 4.03Å; F31-L384 HydrophobicContact CD2-CD2 4.01Å; F31-L384 HydrophobicContact CG-CD2 4.43Å; V34-L384 HydrophobicContact CG2-CD2 4.26Å; S380-L384 PolarHBondContact O-N 2.86Å; L381-L384 WeakPolarHBondContact O-CB 3.23Å; L381-L384 PolarHBondContact O-N 2.92Å; L381-L384 VanDerWaalsContact O-N 3.15Å; L384-S386 VanDerWaalsContact C-N 3.25Å; L384-S386 PolarHBondContact O-N 2.87Å; L384-K387 PolarHBondContact O-N 3.02Å |
| 385 | L | 85.3 | Confident | 85.4 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -27.1 | -178.1 | -67.9 | 179.3 | 0 | 0 | 0 | 113.2 | L381 A382 K387 V419 A422 L431 L438 F442 | L381-L385 HydrophobicContact CD1-CD1 4.02Å; L381-L385 HydrophobicContact CD1-CG 4Å; L381-L385 HydrophobicContact CG-CD1 4.15Å; L381-L385 WeakPolarHBondContact O-CG 3.33Å; L381-L385 PolarHBondContact O-N 3.39Å; A382-L385 PolarHBondContact O-N 3.33Å; L385-K387 VanDerWaalsContact C-N 3.34Å; L385-V419 HydrophobicContact CD1-CG2 4.28Å; L385-A422 HydrophobicContact CD1-CB 4.05Å; L385-L431 HydrophobicContact CB-CD2 3.95Å; L385-L431 HydrophobicContact CD1-CD2 4.39Å; L385-L438 HydrophobicContact CB-CD2 4.19Å; L385-L438 HydrophobicContact CD2-CD2 4.05Å; L385-F442 HydrophobicContact CD2-CD2 4.1Å |
| 386 | S | 84.2 | Confident | 85.1 | Confident | 79 Ų | 79 | 60.1 Ų | 60.1 | 55% | 0.552 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -14.6 | 177.8 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | A382 A383 L384 | A382-S386 PolarHBondContact O-N 2.88Å; A382-S386 VanDerWaalsContact O-N 3.09Å; A382-S386 PolarHBondContact O-OG 3.11Å; A383-S386 PolarHBondContact O-OG 3.34Å; A383-S386 VanDerWaalsContact O-OG 3.12Å; L384-S386 VanDerWaalsContact C-N 3.25Å; L384-S386 PolarHBondContact O-N 2.87Å |
| 387 | K | 83.7 | Confident | 84.4 | Confident | 171 Ų | 171 | 57.1 Ų | 57.1 | 74% | 0.743 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -7 | -176.2 | -72.5 | 173.5 | -175.3 | -178.6 | 0 | 114.3 | A383 L384 L385 | A383-K387 WeakPolarHBondContact O-CD 3.36Å; A383-K387 WeakPolarHBondContact O-CE 3.47Å; A383-K387 VanDerWaalsContact O-CG 3.29Å; A383-K387 WeakPolarHBondContact O-CG 3.37Å; L384-K387 PolarHBondContact O-N 3.02Å; L385-K387 VanDerWaalsContact C-N 3.34Å |
| 388 | V | 81.8 | Confident | 83.6 | Confident | 32 Ų | 32 | 60 Ų | 60 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -123.6 | 146.6 | -171 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | F27 P390 K393 L441 | F27-V388 HydrophobicContact CD2-CB 4Å; F27-V388 HydrophobicContact CD2-CG1 4.2Å; F27-V388 HydrophobicContact CD2-CG2 4.22Å; F27-V388 HydrophobicContact CE2-CB 3.92Å; F27-V388 HydrophobicContact CE2-CG1 3.59Å; F27-V388 HydrophobicContact CE2-CG2 4.35Å; F27-V388 HydrophobicContact CZ-CG1 4.15Å; V388-P390 VanDerWaalsContact O-CD 3.29Å; V388-P390 WeakPolarHBondContact O-CD 3.24Å; V388-K393 HydrophobicContact CG2-CB 3.84Å; V388-K393 HydrophobicContact CG2-CG 4.08Å; V388-L441 HydrophobicContact CG1-CD2 3.92Å |
| 389 | S | 85.7 | Confident | 82.4 | Confident | 46 Ų | 46 | 60.3 Ų | 60.3 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | trans | -83.4 | 109.1 | 163.6 | 173.3 | 0 | 0 | 0 | 0 | 108.9 | K391 E392 K393 | S389-K391 PolarHBondContact O-N 2.75Å; S389-E392 WeakPolarHBondContact CB-OE2 3.47Å; S389-E392 PolarHBondContact O-N 2.93Å; S389-E392 WeakPolarHBondContact OG-CG 3.48Å; S389-K393 PolarHBondContact O-N 3.17Å | ||
| 390 | P | 83.5 | Confident | 81.1 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -36.2 | -174 | -24 | 35.8 | 0 | 0 | 0 | 112.4 | V388 K393 L394 Q437 L438 L441 | V388-P390 VanDerWaalsContact O-CD 3.29Å; V388-P390 WeakPolarHBondContact O-CD 3.24Å; P390-K393 PolarHBondContact O-N 2.85Å; P390-L394 VanDerWaalsContact O-CB 3.3Å; P390-L394 WeakPolarHBondContact O-CB 3.24Å; P390-L394 WeakPolarHBondContact O-CG 2.8Å; P390-L394 PolarHBondContact O-N 2.93Å; P390-Q437 HydrophobicContact CB-CB 3.82Å; P390-L438 HydrophobicContact CB-CD2 4.29Å; P390-L438 HydrophobicContact CG-CD2 3.43Å; P390-L438 VanDerWaalsContact CG-CD2 3.43Å; P390-L438 HydrophobicContact CG-CG 3.78Å; P390-L441 HydrophobicContact CB-CB 4.46Å; P390-L441 HydrophobicContact CB-CD2 4.15Å |
| 391 | K | 83.6 | Confident | 80.2 | Confident | 108 Ų | 108 | 51.6 Ų | 51.6 | 47% | 0.47 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 178.3 | -175.7 | -178.4 | -179.8 | -178.4 | 0 | 112.8 | S389 R395 | S389-K391 PolarHBondContact O-N 2.75Å; K391-R395 WeakPolarHBondContact O-CG 3.47Å; K391-R395 PolarHBondContact O-N 2.68Å |
| 392 | E | 84.5 | Confident | 79.9 | Confident | 120 Ų | 120 | 52 Ų | 52 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.6 | -44.9 | 177.3 | -72.4 | 169 | -179.3 | 0 | 0 | 109.7 | S389 L394 R395 E396 | S389-E392 WeakPolarHBondContact CB-OE2 3.47Å; S389-E392 PolarHBondContact O-N 2.93Å; S389-E392 WeakPolarHBondContact OG-CG 3.48Å; E392-L394 PolarHBondContact O-N 3.42Å; E392-R395 WeakPolarHBondContact O-CB 3.37Å; E392-R395 PolarHBondContact O-N 2.8Å; E392-E396 PolarHBondContact O-N 3.04Å |
| 393 | K | 83.3 | Confident | 79.8 | Confident | 16 Ų | 16 | 52 Ų | 52 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.4 | -37.7 | -178.3 | -157.9 | 53 | 154.8 | -178 | 0 | 113.9 | D25 V388 S389 P390 R395 E396 L397 L441 F445 | D25-K393 WeakPolarHBondContact OD1-CE 3.49Å; D25-K393 IonicContact OD1-NZ 2.91Å; D25-K393 PolarHBondContact OD1-NZ 3.36Å; D25-K393 WeakPolarHBondContact OD2-CE 3.36Å; D25-K393 IonicContact OD2-NZ 2.7Å; D25-K393 PolarHBondContact OD2-NZ 2.82Å; V388-K393 HydrophobicContact CG2-CB 3.84Å; V388-K393 HydrophobicContact CG2-CG 4.08Å; S389-K393 PolarHBondContact O-N 3.17Å; P390-K393 PolarHBondContact O-N 2.85Å; K393-R395 PolarHBondContact O-N 2.99Å; K393-E396 WeakPolarHBondContact CD-OE2 3.41Å; K393-E396 IonicContact NZ-OE2 3.85Å; K393-E396 PolarHBondContact NZ-OE2 3.4Å; K393-E396 PolarHBondContact O-N 3.24Å; K393-E396 VanDerWaalsContact O-N 3.15Å; K393-L397 PolarHBondContact O-N 3.16Å; K393-L397 VanDerWaalsContact O-N 3.17Å; K393-L441 HydrophobicContact CB-CD1 3.68Å; K393-L441 HydrophobicContact CB-CD2 4.49Å; K393-L441 HydrophobicContact CG-CD1 3.66Å; K393-F445 HydrophobicContact CG-CE2 3.95Å; K393-F445 HydrophobicContact CG-CZ 4.19Å |
| 394 | L | 80.8 | Confident | 79.8 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -27.7 | 171.9 | -77.8 | 168.9 | 0 | 0 | 0 | 113.3 | P390 E392 L397 Q437 E440 L441 | P390-L394 VanDerWaalsContact O-CB 3.3Å; P390-L394 WeakPolarHBondContact O-CB 3.24Å; P390-L394 WeakPolarHBondContact O-CG 2.8Å; P390-L394 PolarHBondContact O-N 2.93Å; E392-L394 PolarHBondContact O-N 3.42Å; L394-L397 HydrophobicContact CD2-CD1 4.01Å; L394-Q437 HydrophobicContact CD1-CB 4.29Å; L394-E440 HydrophobicContact CD1-CB 4.27Å; L394-E440 HydrophobicContact CD1-CG 4.31Å; L394-E440 HydrophobicContact CD2-CB 4.44Å; L394-E440 HydrophobicContact CD2-CG 3.94Å; L394-L441 HydrophobicContact CD2-CB 4.32Å; L394-L441 HydrophobicContact CD2-CD1 4.36Å; L394-L441 HydrophobicContact CG-CB 4.26Å; L394-L441 HydrophobicContact CG-CD1 4.21Å |
| 395 | R | 79.5 | Confident | 79.9 | Confident | 187 Ų | 187 | 49.9 Ų | 49.9 | 71% | 0.706 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -77.9 | -26 | 175.7 | -71.3 | 170 | 170.9 | -171.9 | -6.1 | 112.9 | K391 E392 K393 | K391-R395 WeakPolarHBondContact O-CG 3.47Å; K391-R395 PolarHBondContact O-N 2.68Å; E392-R395 WeakPolarHBondContact O-CB 3.37Å; E392-R395 PolarHBondContact O-N 2.8Å; K393-R395 PolarHBondContact O-N 2.99Å |
| 396 | E | 77.6 | Confident | 80 | Confident | 94 Ų | 94 | 51 Ų | 51 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -79.3 | -26.5 | 176.5 | -67 | 172.2 | -171 | 0 | 0 | 112.1 | E392 K393 Q398 | E392-E396 PolarHBondContact O-N 3.04Å; K393-E396 WeakPolarHBondContact CD-OE2 3.41Å; K393-E396 IonicContact NZ-OE2 3.85Å; K393-E396 PolarHBondContact NZ-OE2 3.4Å; K393-E396 PolarHBondContact O-N 3.24Å; K393-E396 VanDerWaalsContact O-N 3.15Å; E396-Q398 PolarHBondContact O-N 2.74Å |
| 397 | L | 72.2 | Confident | 80.2 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | trans | -63.5 | 101.8 | 176.4 | -87.5 | 157.6 | 0 | 0 | 0 | 111.1 | K393 L394 L441 F445 | K393-L397 PolarHBondContact O-N 3.16Å; K393-L397 VanDerWaalsContact O-N 3.17Å; L394-L397 HydrophobicContact CD2-CD1 4.01Å; L397-L441 HydrophobicContact CD1-CD1 3.97Å; L397-F445 HydrophobicContact CD1-CD2 4.14Å; L397-F445 HydrophobicContact CD1-CE2 3.72Å; L397-F445 HydrophobicContact CD2-CE2 4.22Å; L397-F445 HydrophobicContact CD2-CZ 4.45Å; L397-F445 HydrophobicContact CG-CE2 4.14Å | ||
| 398 | Q | 67.5 | Low | 80.4 | Confident | 64 Ų | 64 | 40.4 Ų | 40.4 | 30% | 0.299 | 20% | 0.195 | S | C | . | . | trans | -90.6 | -14.3 | 170.5 | -56.5 | 178.8 | -2.8 | 0 | 0 | 112.3 | V154 Y158 H186 E396 | V154-Q398 HydrophobicContact CG1-CB 4.31Å; Y158-Q398 HydrophobicContact CD2-CB 3.68Å; Y158-Q398 HydrophobicContact CE2-CB 3.74Å; Y158-Q398 HydrophobicContact CE2-CG 4.48Å; H186-Q398 PolarHBondContact CE1-O 2.61Å; E396-Q398 PolarHBondContact O-N 2.74Å | ||
| 399 | F | 63.1 | Low | 80.9 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -83.7 | 115.2 | 163.7 | -174.7 | -106.6 | 0 | 0 | 0 | 108.6 | Y158 M161 L162 I165 Y448 | Y158-F399 HydrophobicContact CD1-CB 3.41Å; Y158-F399 VanDerWaalsContact CD1-CB 3.41Å; Y158-F399 HydrophobicContact CD1-CD2 4.22Å; Y158-F399 HydrophobicContact CD1-CG 4.1Å; Y158-F399 HydrophobicContact CD2-CB 4.38Å; Y158-F399 HydrophobicContact CE1-CB 3.55Å; Y158-F399 HydrophobicContact CE1-CG 4.44Å; Y158-F399 HydrophobicContact CG-CB 3.82Å; M161-F399 HydrophobicContact CB-CE2 4.25Å; M161-F399 HydrophobicContact CG-CE2 3.81Å; M161-F399 HydrophobicContact CG-CZ 4.24Å; M161-F399 HydrophobicContact SD-CD1 4.4Å; M161-F399 HydrophobicContact SD-CD2 3.78Å; M161-F399 HydrophobicContact SD-CE1 4Å; M161-F399 HydrophobicContact SD-CE2 3.33Å; M161-F399 WeakPolarHBondContact SD-CE2 3.34Å; M161-F399 HydrophobicContact SD-CG 4.3Å; M161-F399 HydrophobicContact SD-CZ 3.45Å; M161-F399 WeakPolarHBondContact SD-CZ 3.48Å; L162-F399 HydrophobicContact CD2-CE2 4.15Å; I165-F399 HydrophobicContact CD1-CE2 4.46Å; I165-F399 HydrophobicContact CD1-CZ 4.49Å; F399-Y448 HydrophobicContact CD1-CD2 4.34Å |
| 400 | G | 61.8 | Low | 81.2 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | trans | -96.2 | 122.8 | 167 | 0 | 0 | 0 | 0 | 0 | 108.5 | H186 | H186-G400 PolarHBondContact CE1-N 2.8Å; H186-G400 WeakPolarHBondContact ND1-CA 3.46Å; H186-G400 PolarHBondContact ND1-N 3.38Å | ||
| 401 | A | 69.8 | Low | 81.6 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | trans | -47.2 | 144.6 | 157 | 0 | 0 | 0 | 0 | 0 | 108.9 | R185 P403 | R185-A401 PolarHBondContact N-O 2.89Å; R185-A401 VanDerWaalsContact N-O 3.14Å; A401-P403 WeakPolarHBondContact O-CD 3.39Å | ||
| 402 | Y | 84.4 | Confident | 82.1 | Confident | 10 Ų | 10 | 31.3 Ų | 31.3 | 4% | 0.039 | 15% | 0.146 | C | C | . | . | trans | -80.6 | 90.5 | 172.4 | -72.4 | -69.9 | 0 | 0 | 0 | 107.6 | Q107 L162 I165 W171 G182 P184 F404 S405 S408 | Q107-Y402 PolarHBondContact NE2-OH 2.99Å; L162-Y402 HydrophobicContact CD2-CE2 3.8Å; L162-Y402 WeakPolarHBondContact CD2-OH 3.38Å; I165-Y402 HydrophobicContact CD1-CD2 4.17Å; I165-Y402 HydrophobicContact CD1-CE2 3.68Å; W171-Y402 AromaticContact CZ2-CE1 3.95Å; W171-Y402 HydrophobicContact CZ2-CE1 3.95Å; W171-Y402 HydrophobicContact CZ2-CE2 4.39Å; W171-Y402 AromaticContact CZ2-CZ 3.8Å; W171-Y402 AromaticContact NE1-CD1 3.9Å; W171-Y402 AromaticContact NE1-CD2 3.87Å; W171-Y402 AromaticContact NE1-CE2 3.98Å; W171-Y402 AromaticContact NE1-CG 3.81Å; G182-Y402 VanDerWaalsContact C-CE1 3.49Å; P184-Y402 HydrophobicContact CG-CE1 4.13Å; Y402-F404 PolarHBondContact O-N 2.81Å; Y402-S405 PolarHBondContact O-N 3.22Å; Y402-S405 PolarHBondContact O-OG 2.9Å; Y402-S408 WeakPolarHBondContact O-CB 3.1Å; Y402-S408 PolarHBondContact O-OG 2.79Å | ||
| 403 | P | 86 | Confident | 82.6 | Confident | 8 Ų | 8 | 25.6 Ų | 25.6 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.3 | -155.5 | 33.6 | -37 | 0 | 0 | 0 | 112.5 | I183 R185 P329 A401 | I183-P403 WeakPolarHBondContact O-CD 3.35Å; R185-P403 HydrophobicContact CB-CB 4.15Å; R185-P403 HydrophobicContact CB-CG 3.95Å; R185-P403 HydrophobicContact CG-CB 4.46Å; P329-P403 HydrophobicContact CB-CB 3.76Å; P329-P403 WeakPolarHBondContact CB-O 3.21Å; P329-P403 HydrophobicContact CG-CB 4.15Å; A401-P403 WeakPolarHBondContact O-CD 3.39Å |
| 404 | F | 89.7 | Confident | 83.1 | Confident | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.035 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 8.3 | -179.6 | -52.2 | -65.3 | 0 | 0 | 0 | 114 | T225 Y327 P329 P331 Y402 | T225-F404 HydrophobicContact CG2-CE1 4.39Å; T225-F404 HydrophobicContact CG2-CE2 4.31Å; T225-F404 HydrophobicContact CG2-CZ 4.02Å; Y327-F404 HydrophobicContact CE1-CE1 4.05Å; Y327-F404 HydrophobicContact CE1-CZ 4.13Å; Y327-F404 AromaticContact CZ-CE1 3.84Å; Y327-F404 AromaticContact CZ-CZ 3.99Å; Y327-F404 WeakPolarHBondContact OH-CE1 3.46Å; Y327-F404 WeakPolarHBondContact OH-CZ 3.06Å; P329-F404 HydrophobicContact CB-CD1 3.92Å; P329-F404 HydrophobicContact CB-CE1 3.62Å; P329-F404 HydrophobicContact CB-CZ 4.36Å; P331-F404 VanDerWaalsContact CA-O 3.29Å; P331-F404 WeakPolarHBondContact CA-O 3.44Å; Y402-F404 PolarHBondContact O-N 2.81Å |
| 405 | S | 88.8 | Confident | 83.7 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -75.4 | 150.9 | 169.5 | 75.2 | 0 | 0 | 0 | 0 | 110.8 | E170 Y402 N407 S408 F409 | E170-S405 WeakPolarHBondContact O-CB 3.43Å; E170-S405 WeakPolarHBondContact OE2-CB 3.45Å; E170-S405 PolarHBondContact OE2-OG 3.33Å; Y402-S405 PolarHBondContact O-N 3.22Å; Y402-S405 PolarHBondContact O-OG 2.9Å; S405-N407 PolarHBondContact O-N 2.54Å; S405-S408 PolarHBondContact O-N 2.92Å; S405-S408 VanDerWaalsContact OG-CB 3.32Å; S405-S408 WeakPolarHBondContact OG-CB 3.18Å; S405-S408 PolarHBondContact OG-N 2.59Å; S405-S408 PolarHBondContact OG-OG 2.72Å; S405-F409 WeakPolarHBondContact O-CB 3.24Å; S405-F409 PolarHBondContact O-N 2.92Å |
| 406 | I | 88.3 | Confident | 84.5 | Confident | 28 Ų | 28 | 14.1 Ų | 14.1 | 14% | 0.144 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.5 | -40.6 | 175.1 | -69.1 | 164.7 | 0 | 0 | 0 | 110.2 | I172 R264 N265 K266 P331 F409 G410 | I172-I406 HydrophobicContact CG2-CD1 4.25Å; R264-I406 WeakPolarHBondContact O-CG2 3.3Å; N265-I406 WeakPolarHBondContact O-CD1 3.33Å; K266-I406 WeakPolarHBondContact O-CG2 3.48Å; P331-I406 HydrophobicContact CB-CG1 3.81Å; P331-I406 HydrophobicContact CG-CG1 4.06Å; I406-F409 WeakPolarHBondContact O-CB 3.32Å; I406-F409 PolarHBondContact O-N 2.87Å; I406-G410 PolarHBondContact O-N 2.85Å |
| 407 | N | 87.8 | Confident | 85.4 | Confident | 19 Ų | 19 | 9.7 Ų | 9.7 | 10% | 0.102 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.8 | -48.3 | 177.5 | -70.6 | -14.9 | 0 | 0 | 0 | 111.9 | P47 E170 S405 F409 G410 L411 | P47-N407 HydrophobicContact CB-CB 3.88Å; P47-N407 WeakPolarHBondContact CB-OD1 3.34Å; P47-N407 HydrophobicContact CG-CB 4.05Å; E170-N407 PolarHBondContact OE1-ND2 3.11Å; S405-N407 PolarHBondContact O-N 2.54Å; N407-F409 PolarHBondContact O-N 2.77Å; N407-G410 PolarHBondContact O-N 3.3Å; N407-L411 WeakPolarHBondContact O-CG 3.38Å; N407-L411 PolarHBondContact O-N 3.35Å |
| 408 | S | 89.1 | Confident | 86.4 | Confident | 7 Ų | 7 | 8.9 Ų | 8.9 | 5% | 0.049 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.1 | -33.1 | 177 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | Y402 S405 T412 | Y402-S408 WeakPolarHBondContact O-CB 3.1Å; Y402-S408 PolarHBondContact O-OG 2.79Å; S405-S408 PolarHBondContact O-N 2.92Å; S405-S408 VanDerWaalsContact OG-CB 3.32Å; S405-S408 WeakPolarHBondContact OG-CB 3.18Å; S405-S408 PolarHBondContact OG-N 2.59Å; S405-S408 PolarHBondContact OG-OG 2.72Å; S408-T412 WeakPolarHBondContact O-CB 3.25Å; S408-T412 PolarHBondContact O-N 2.77Å; S408-T412 PolarHBondContact O-OG1 2.89Å |
| 409 | F | 92.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -65.5 | -49.7 | 174.6 | 178.3 | -102.3 | 0 | 0 | 0 | 112.2 | A267 M273 F328 H330 P331 S405 I406 N407 L411 T412 L413 | A267-F409 VanDerWaalsContact C-CE1 3.47Å; A267-F409 HydrophobicContact CB-CE1 4.34Å; M273-F409 HydrophobicContact CE-CE1 3.93Å; M273-F409 HydrophobicContact CE-CZ 3.95Å; M273-F409 HydrophobicContact SD-CE1 4Å; M273-F409 HydrophobicContact SD-CE2 4.47Å; M273-F409 HydrophobicContact SD-CZ 3.46Å; M273-F409 WeakPolarHBondContact SD-CZ 3.45Å; F328-F409 HydrophobicContact CD1-CD2 4.44Å; F328-F409 AromaticContact CD1-CE2 3.96Å; F328-F409 HydrophobicContact CD1-CE2 3.96Å; F328-F409 AromaticContact CE1-CD2 3.77Å; F328-F409 HydrophobicContact CE1-CD2 3.77Å; F328-F409 AromaticContact CE1-CE2 3.4Å; F328-F409 HydrophobicContact CE1-CE2 3.4Å; F328-F409 HydrophobicContact CE1-CZ 4.34Å; F328-F409 HydrophobicContact CZ-CE2 4.49Å; H330-F409 HydrophobicContact CB-CE2 4.26Å; H330-F409 AromaticContact CD2-CE2 3.34Å; H330-F409 WeakPolarHBondContact CD2-CE2 3.28Å; H330-F409 AromaticContact CD2-CZ 3.56Å; H330-F409 AromaticContact CG-CE2 3.99Å; H330-F409 AromaticContact NE2-CZ 3.93Å; P331-F409 VanDerWaalsContact CD-CG 3.47Å; P331-F409 HydrophobicContact CG-CB 3.51Å; P331-F409 HydrophobicContact CG-CD1 4.2Å; P331-F409 HydrophobicContact CG-CD2 4.19Å; P331-F409 HydrophobicContact CG-CG 3.75Å; S405-F409 WeakPolarHBondContact O-CB 3.24Å; S405-F409 PolarHBondContact O-N 2.92Å; I406-F409 WeakPolarHBondContact O-CB 3.32Å; I406-F409 PolarHBondContact O-N 2.87Å; N407-F409 PolarHBondContact O-N 2.77Å; F409-L411 VanDerWaalsContact C-N 3.35Å; F409-L411 PolarHBondContact O-N 2.9Å; F409-T412 WeakPolarHBondContact O-CB 3.42Å; F409-T412 PolarHBondContact O-N 2.95Å; F409-T412 VanDerWaalsContact O-N 3.13Å; F409-L413 HydrophobicContact CD1-CD1 3.95Å; F409-L413 HydrophobicContact CE1-CD1 3.51Å; F409-L413 HydrophobicContact CE1-CG 4.48Å; F409-L413 HydrophobicContact CZ-CD1 3.91Å; F409-L413 PolarHBondContact O-N 2.78Å |
| 410 | G | 91.9 | Very high | 89 | Confident | 2 Ų | 2 | 5.5 Ų | 5.5 | 2% | 0.021 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -57.2 | -46.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I406 N407 T412 L413 L414 | I406-G410 PolarHBondContact O-N 2.85Å; N407-G410 PolarHBondContact O-N 3.3Å; G410-T412 VanDerWaalsContact C-N 3.31Å; G410-T412 PolarHBondContact O-N 2.94Å; G410-L413 PolarHBondContact O-N 3.49Å; G410-L414 PolarHBondContact O-N 3.04Å |
| 411 | L | 91.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 5.2 Ų | 5.2 | 2% | 0.016 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -62 | -36.5 | 175.7 | -66.3 | 179.7 | 0 | 0 | 0 | 112.6 | L46 P47 N407 F409 L414 S415 L446 Y450 | L46-L411 HydrophobicContact CD2-CD2 3.92Å; P47-L411 HydrophobicContact CG-CD1 4.37Å; P47-L411 HydrophobicContact CG-CD2 3.68Å; P47-L411 HydrophobicContact CG-CG 3.67Å; N407-L411 WeakPolarHBondContact O-CG 3.38Å; N407-L411 PolarHBondContact O-N 3.35Å; F409-L411 VanDerWaalsContact C-N 3.35Å; F409-L411 PolarHBondContact O-N 2.9Å; L411-L414 PolarHBondContact O-N 3.44Å; L411-S415 VanDerWaalsContact O-CB 3.31Å; L411-S415 WeakPolarHBondContact O-CB 3.2Å; L411-S415 PolarHBondContact O-N 3.22Å; L411-S415 PolarHBondContact O-OG 2.85Å; L411-L446 HydrophobicContact CB-CD2 4.25Å; L411-L446 HydrophobicContact CD2-CD2 3.98Å; L411-L446 HydrophobicContact CD2-CG 4.04Å; L411-Y450 HydrophobicContact CD1-CD1 4.03Å; L411-Y450 HydrophobicContact CD1-CG 4.11Å; L411-Y450 HydrophobicContact CD2-CG 4.41Å |
| 412 | T | 93.7 | Very high | 91.4 | Very high | 12 Ų | 12 | 4.9 Ų | 4.9 | 7% | 0.074 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -67 | -40 | 176.3 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | F328 S408 F409 G410 S415 I416 I439 S443 | F328-T412 HydrophobicContact CE2-CG2 3.79Å; F328-T412 HydrophobicContact CZ-CG2 3.79Å; S408-T412 WeakPolarHBondContact O-CB 3.25Å; S408-T412 PolarHBondContact O-N 2.77Å; S408-T412 PolarHBondContact O-OG1 2.89Å; F409-T412 WeakPolarHBondContact O-CB 3.42Å; F409-T412 PolarHBondContact O-N 2.95Å; F409-T412 VanDerWaalsContact O-N 3.13Å; G410-T412 VanDerWaalsContact C-N 3.31Å; G410-T412 PolarHBondContact O-N 2.94Å; T412-S415 WeakPolarHBondContact O-CB 3.13Å; T412-S415 PolarHBondContact O-N 3.14Å; T412-I416 HydrophobicContact CG2-CD1 4.49Å; T412-I416 WeakPolarHBondContact O-CG1 3.3Å; T412-I416 PolarHBondContact O-N 2.94Å; T412-I439 HydrophobicContact CG2-CG2 4.46Å; T412-S443 PolarHBondContact OG1-OG 2.77Å |
| 413 | L | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 175.3 | -68.1 | 173.5 | 0 | 0 | 0 | 111.7 | I243 P270 L271 M273 F328 F409 G410 S415 I416 A417 | I243-L413 HydrophobicContact CD1-CD2 3.94Å; I243-L413 HydrophobicContact CG2-CD2 4.49Å; P270-L413 HydrophobicContact CG-CB 4.24Å; L271-L413 HydrophobicContact CB-CD2 4.35Å; L271-L413 HydrophobicContact CD1-CB 4.35Å; L271-L413 HydrophobicContact CD1-CD2 4.35Å; L271-L413 WeakPolarHBondContact CD1-O 3.44Å; M273-L413 HydrophobicContact CE-CD1 4.12Å; M273-L413 HydrophobicContact SD-CD1 3.86Å; M273-L413 HydrophobicContact SD-CD2 4.27Å; F328-L413 HydrophobicContact CE1-CD2 4.25Å; F328-L413 HydrophobicContact CZ-CD2 3.89Å; F328-L413 HydrophobicContact CZ-CG 4.48Å; F409-L413 HydrophobicContact CD1-CD1 3.95Å; F409-L413 HydrophobicContact CE1-CD1 3.51Å; F409-L413 HydrophobicContact CE1-CG 4.48Å; F409-L413 HydrophobicContact CZ-CD1 3.91Å; F409-L413 PolarHBondContact O-N 2.78Å; G410-L413 PolarHBondContact O-N 3.49Å; L413-S415 VanDerWaalsContact C-N 3.29Å; L413-S415 PolarHBondContact O-N 2.89Å; L413-I416 HydrophobicContact CD2-CD1 4.34Å; L413-I416 WeakPolarHBondContact O-CB 3.43Å; L413-I416 PolarHBondContact O-N 3.02Å; L413-A417 PolarHBondContact O-N 3.26Å; L413-A417 VanDerWaalsContact O-N 3.12Å |
| 414 | L | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | 172.5 | 179.6 | 56.9 | 0 | 0 | 0 | 111.6 | I42 F45 L46 P270 G410 L411 I416 A417 L418 L446 | I42-L414 HydrophobicContact CB-CD2 4.21Å; I42-L414 HydrophobicContact CG2-CD1 4.39Å; F45-L414 HydrophobicContact CB-CD1 3.99Å; F45-L414 HydrophobicContact CB-CD2 4.36Å; L46-L414 HydrophobicContact CD2-CD2 3.89Å; P270-L414 HydrophobicContact CG-CB 4.39Å; G410-L414 PolarHBondContact O-N 3.04Å; L411-L414 PolarHBondContact O-N 3.44Å; L414-I416 VanDerWaalsContact C-N 3.33Å; L414-I416 PolarHBondContact O-N 3.41Å; L414-A417 WeakPolarHBondContact O-CB 3.1Å; L414-A417 PolarHBondContact O-N 3.14Å; L414-L418 HydrophobicContact CD1-CD1 4.14Å; L414-L418 HydrophobicContact CD1-CG 4.22Å; L414-L418 HydrophobicContact CG-CD1 4.01Å; L414-L418 WeakPolarHBondContact O-CG 3.07Å; L414-L418 PolarHBondContact O-N 2.99Å; L414-L446 HydrophobicContact CB-CD2 4.47Å; L414-L446 HydrophobicContact CD2-CD2 4.1Å; L414-L446 HydrophobicContact CG-CD2 4.26Å |
| 415 | S | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 175.2 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | L411 T412 L413 A417 L418 V419 F442 S443 | L411-S415 VanDerWaalsContact O-CB 3.31Å; L411-S415 WeakPolarHBondContact O-CB 3.2Å; L411-S415 PolarHBondContact O-N 3.22Å; L411-S415 PolarHBondContact O-OG 2.85Å; T412-S415 WeakPolarHBondContact O-CB 3.13Å; T412-S415 PolarHBondContact O-N 3.14Å; L413-S415 VanDerWaalsContact C-N 3.29Å; L413-S415 PolarHBondContact O-N 2.89Å; S415-A417 VanDerWaalsContact C-N 3.35Å; S415-A417 PolarHBondContact O-N 3.4Å; S415-L418 PolarHBondContact O-N 2.04Å; S415-V419 WeakPolarHBondContact O-CB 3.41Å; S415-V419 VanDerWaalsContact O-CG2 3.27Å; S415-V419 WeakPolarHBondContact O-CG2 3.4Å; S415-V419 PolarHBondContact O-N 3.28Å; S415-F442 WeakPolarHBondContact OG-CD1 2.9Å; S415-S443 VanDerWaalsContact OG-CA 3.22Å; S415-S443 WeakPolarHBondContact OG-CA 3.5Å; S415-S443 PolarHBondContact OG-N 3.22Å |
| 416 | I | 95.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 175 | -73.2 | 163.7 | 0 | 0 | 0 | 110.9 | V245 L271 F328 V343 T412 L413 L414 A420 I439 | V245-I416 HydrophobicContact CG2-CG2 3.59Å; L271-I416 HydrophobicContact CD1-CB 3.79Å; L271-I416 HydrophobicContact CD1-CG2 3.54Å; F328-I416 HydrophobicContact CE2-CD1 3.75Å; F328-I416 HydrophobicContact CZ-CD1 4.02Å; V343-I416 HydrophobicContact CG1-CG2 3.53Å; V343-I416 HydrophobicContact CG2-CD1 3.89Å; V343-I416 HydrophobicContact CG2-CG2 4.47Å; T412-I416 HydrophobicContact CG2-CD1 4.49Å; T412-I416 WeakPolarHBondContact O-CG1 3.3Å; T412-I416 PolarHBondContact O-N 2.94Å; L413-I416 HydrophobicContact CD2-CD1 4.34Å; L413-I416 WeakPolarHBondContact O-CB 3.43Å; L413-I416 PolarHBondContact O-N 3.02Å; L414-I416 VanDerWaalsContact C-N 3.33Å; L414-I416 PolarHBondContact O-N 3.41Å; I416-A420 VanDerWaalsContact O-CB 3.28Å; I416-A420 WeakPolarHBondContact O-CB 3.49Å; I416-A420 PolarHBondContact O-N 2.78Å; I416-I439 HydrophobicContact CD1-CG2 4.44Å; I416-I439 HydrophobicContact CG1-CD1 4.03Å; I416-I439 HydrophobicContact CG1-CG1 4.17Å; I416-I439 HydrophobicContact CG1-CG2 3.68Å |
| 417 | A | 95.3 | Very high | 89 | Confident | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.9 | -47.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I256 L258 L271 L413 L414 S415 A420 L421 | I256-A417 HydrophobicContact CD1-CB 3.61Å; L258-A417 HydrophobicContact CD2-CB 4.18Å; L271-A417 HydrophobicContact CD1-CB 4.42Å; L271-A417 HydrophobicContact CD2-CB 4.25Å; L271-A417 HydrophobicContact CG-CB 4.46Å; L413-A417 PolarHBondContact O-N 3.26Å; L413-A417 VanDerWaalsContact O-N 3.12Å; L414-A417 WeakPolarHBondContact O-CB 3.1Å; L414-A417 PolarHBondContact O-N 3.14Å; S415-A417 VanDerWaalsContact C-N 3.35Å; S415-A417 PolarHBondContact O-N 3.4Å; A417-A420 PolarHBondContact O-N 2.93Å; A417-L421 WeakPolarHBondContact O-CG 3.08Å; A417-L421 PolarHBondContact O-N 3.44Å |
| 418 | L | 93.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.3 | -41.4 | -179.3 | -68.5 | 172.5 | 0 | 0 | 0 | 112.7 | L38 I42 F373 I378 L381 L414 S415 A420 L421 A422 F442 | L38-L418 HydrophobicContact CD1-CD2 4.46Å; I42-L418 HydrophobicContact CG2-CD1 4.34Å; I42-L418 HydrophobicContact CG2-CD2 4.23Å; F373-L418 HydrophobicContact CD1-CD2 4.33Å; F373-L418 HydrophobicContact CE1-CD2 3.88Å; I378-L418 HydrophobicContact CD1-CD2 4.37Å; L381-L418 HydrophobicContact CD2-CB 3.88Å; L414-L418 HydrophobicContact CD1-CD1 4.14Å; L414-L418 HydrophobicContact CD1-CG 4.22Å; L414-L418 HydrophobicContact CG-CD1 4.01Å; L414-L418 WeakPolarHBondContact O-CG 3.07Å; L414-L418 PolarHBondContact O-N 2.99Å; S415-L418 PolarHBondContact O-N 2.04Å; L418-A420 VanDerWaalsContact C-N 3.34Å; L418-L421 HydrophobicContact CD2-CD1 4.46Å; L418-L421 PolarHBondContact O-N 3.33Å; L418-A422 WeakPolarHBondContact O-CB 3.12Å; L418-A422 PolarHBondContact O-N 2.86Å; L418-F442 HydrophobicContact CB-CE1 4.08Å; L418-F442 HydrophobicContact CB-CZ 4.33Å; L418-F442 HydrophobicContact CD1-CE1 3.62Å; L418-F442 HydrophobicContact CD1-CZ 3.87Å |
| 419 | V | 92.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 174.6 | 170 | 0 | 0 | 0 | 0 | 110.8 | L385 S415 L421 A422 I423 L438 I439 F442 | L385-V419 HydrophobicContact CD1-CG2 4.28Å; S415-V419 WeakPolarHBondContact O-CB 3.41Å; S415-V419 VanDerWaalsContact O-CG2 3.27Å; S415-V419 WeakPolarHBondContact O-CG2 3.4Å; S415-V419 PolarHBondContact O-N 3.28Å; V419-L421 PolarHBondContact O-N 2.82Å; V419-A422 PolarHBondContact O-N 2.97Å; V419-I423 HydrophobicContact CG1-CD1 3.76Å; V419-I423 HydrophobicContact CG1-CG1 4.33Å; V419-I423 WeakPolarHBondContact O-CB 3.38Å; V419-I423 VanDerWaalsContact O-CG1 3.26Å; V419-I423 WeakPolarHBondContact O-CG1 3.49Å; V419-I423 PolarHBondContact O-N 2.84Å; V419-L438 HydrophobicContact CG1-CB 4.48Å; V419-I439 HydrophobicContact CB-CG1 4.27Å; V419-I439 HydrophobicContact CG1-CG1 4.16Å; V419-I439 HydrophobicContact CG2-CG1 4.35Å; V419-F442 HydrophobicContact CG2-CB 4.16Å; V419-F442 HydrophobicContact CG2-CG 4.29Å |
| 420 | A | 92.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V245 L247 L323 L345 I416 A417 L418 S424 | V245-A420 HydrophobicContact CB-CB 4.31Å; V245-A420 HydrophobicContact CG1-CB 3.6Å; L247-A420 HydrophobicContact CD1-CB 4.46Å; L323-A420 HydrophobicContact CD1-CB 3.81Å; L345-A420 HydrophobicContact CD1-CB 3.89Å; I416-A420 VanDerWaalsContact O-CB 3.28Å; I416-A420 WeakPolarHBondContact O-CB 3.49Å; I416-A420 PolarHBondContact O-N 2.78Å; A417-A420 PolarHBondContact O-N 2.93Å; L418-A420 VanDerWaalsContact C-N 3.34Å; A420-S424 WeakPolarHBondContact O-CB 3.35Å; A420-S424 PolarHBondContact O-N 2.76Å; A420-S424 VanDerWaalsContact O-N 3.07Å; A420-S424 PolarHBondContact O-OG 3.18Å |
| 421 | L | 91.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 173.1 | -74.8 | 167 | 0 | 0 | 0 | 111.4 | L247 Y254 I256 F373 I378 A417 L418 V419 I423 S424 T425 | L247-L421 HydrophobicContact CD2-CD2 3.69Å; L247-L421 HydrophobicContact CD2-CG 4.23Å; Y254-L421 HydrophobicContact CG-CD2 4.49Å; I256-L421 HydrophobicContact CB-CD2 4.44Å; I256-L421 HydrophobicContact CG2-CD1 4.26Å; F373-L421 HydrophobicContact CB-CD1 4.14Å; F373-L421 HydrophobicContact CD1-CD1 3.99Å; F373-L421 HydrophobicContact CD2-CD1 3.76Å; F373-L421 HydrophobicContact CE1-CD1 4.35Å; F373-L421 HydrophobicContact CE2-CD1 4.16Å; F373-L421 HydrophobicContact CG-CD1 3.67Å; F373-L421 HydrophobicContact CZ-CD1 4.43Å; I378-L421 HydrophobicContact CD1-CB 3.97Å; I378-L421 HydrophobicContact CD1-CD1 3.93Å; I378-L421 HydrophobicContact CG1-CB 4.32Å; I378-L421 VanDerWaalsContact CG2-C 3.47Å; I378-L421 HydrophobicContact CG2-CB 3.84Å; I378-L421 WeakPolarHBondContact CG2-O 3.44Å; A417-L421 WeakPolarHBondContact O-CG 3.08Å; A417-L421 PolarHBondContact O-N 3.44Å; L418-L421 HydrophobicContact CD2-CD1 4.46Å; L418-L421 PolarHBondContact O-N 3.33Å; V419-L421 PolarHBondContact O-N 2.82Å; L421-I423 PolarHBondContact O-N 3.25Å; L421-S424 WeakPolarHBondContact O-CB 3.18Å; L421-S424 PolarHBondContact O-N 3.44Å; L421-S424 VanDerWaalsContact O-N 3.11Å; L421-T425 PolarHBondContact O-N 2.84Å |
| 422 | A | 90.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L381 A382 L385 L418 V419 S424 T425 S426 | L381-A422 HydrophobicContact CD2-CB 4.12Å; L381-A422 HydrophobicContact CG-CB 4.02Å; A382-A422 HydrophobicContact CB-CB 4.04Å; L385-A422 HydrophobicContact CD1-CB 4.05Å; L418-A422 WeakPolarHBondContact O-CB 3.12Å; L418-A422 PolarHBondContact O-N 2.86Å; V419-A422 PolarHBondContact O-N 2.97Å; A422-S424 PolarHBondContact O-N 3.2Å; A422-T425 PolarHBondContact O-N 3.15Å; A422-T425 VanDerWaalsContact O-N 3.15Å; A422-T425 PolarHBondContact O-OG1 2.95Å; A422-S426 PolarHBondContact O-N 2.83Å; A422-S426 VanDerWaalsContact O-N 3.17Å |
| 423 | I | 87.9 | Confident | 78.2 | Confident | 18 Ų | 18 | 31 Ų | 31 | 9% | 0.092 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.7 | -40.5 | 174.6 | -70.6 | 167.3 | 0 | 0 | 0 | 110.7 | L323 L345 V419 L421 T425 S426 L431 V432 | L323-I423 HydrophobicContact CD2-CD1 3.69Å; L345-I423 HydrophobicContact CD2-CG2 4.44Å; V419-I423 HydrophobicContact CG1-CD1 3.76Å; V419-I423 HydrophobicContact CG1-CG1 4.33Å; V419-I423 WeakPolarHBondContact O-CB 3.38Å; V419-I423 VanDerWaalsContact O-CG1 3.26Å; V419-I423 WeakPolarHBondContact O-CG1 3.49Å; V419-I423 PolarHBondContact O-N 2.84Å; L421-I423 PolarHBondContact O-N 3.25Å; I423-T425 PolarHBondContact O-N 3.13Å; I423-S426 PolarHBondContact O-N 2.58Å; I423-L431 HydrophobicContact CG1-CB 4.04Å; I423-L431 HydrophobicContact CG1-CD2 4.39Å; I423-V432 HydrophobicContact CG2-CG2 3.92Å |
| 424 | S | 84.7 | Confident | 77.3 | Confident | 18 Ų | 18 | 32.5 Ų | 32.5 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.7 | -16.7 | -177.1 | -57.3 | 0 | 0 | 0 | 0 | 114.8 | L247 Y254 F347 A420 L421 A422 | L247-S424 WeakPolarHBondContact CD1-OG 3.42Å; Y254-S424 PolarHBondContact OH-O 3.49Å; F347-S424 WeakPolarHBondContact CE1-OG 3.45Å; F347-S424 WeakPolarHBondContact CZ-OG 3.38Å; A420-S424 WeakPolarHBondContact O-CB 3.35Å; A420-S424 PolarHBondContact O-N 2.76Å; A420-S424 VanDerWaalsContact O-N 3.07Å; A420-S424 PolarHBondContact O-OG 3.18Å; L421-S424 WeakPolarHBondContact O-CB 3.18Å; L421-S424 PolarHBondContact O-N 3.44Å; L421-S424 VanDerWaalsContact O-N 3.11Å; A422-S424 PolarHBondContact O-N 3.2Å |
| 425 | T | 82.1 | Confident | 76.7 | Confident | 20 Ų | 20 | 33 Ų | 33 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -101.8 | -15.2 | 176.4 | 62.7 | 0 | 0 | 0 | 0 | 113 | Y254 I378 L421 A422 I423 P427 | Y254-T425 HydrophobicContact CD2-CG2 3.92Å; Y254-T425 HydrophobicContact CE2-CG2 3.52Å; I378-T425 HydrophobicContact CB-CG2 4.35Å; I378-T425 HydrophobicContact CG2-CG2 3.58Å; L421-T425 PolarHBondContact O-N 2.84Å; A422-T425 PolarHBondContact O-N 3.15Å; A422-T425 VanDerWaalsContact O-N 3.15Å; A422-T425 PolarHBondContact O-OG1 2.95Å; I423-T425 PolarHBondContact O-N 3.13Å; T425-P427 WeakPolarHBondContact O-CD 3.22Å |
| 426 | S | 72.1 | Confident | 76.3 | Confident | 25 Ų | 25 | 34.9 Ų | 34.9 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | trans | -72.6 | 124.6 | -178 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | A422 I423 F428 L431 | A422-S426 PolarHBondContact O-N 2.83Å; A422-S426 VanDerWaalsContact O-N 3.17Å; I423-S426 PolarHBondContact O-N 2.58Å; S426-F428 PolarHBondContact O-N 2.93Å; S426-F428 PolarHBondContact OG-N 3.14Å; S426-F428 VanDerWaalsContact OG-N 3.1Å; S426-F428 PolarHBondContact OG-O 2.86Å; S426-L431 WeakPolarHBondContact OG-CD1 3.17Å | ||
| 427 | P | 59.3 | Low | 75.9 | Confident | 117 Ų | 117 | 38.7 Ų | 38.7 | 76% | 0.76 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -66.7 | -14.7 | 169.6 | 26.3 | -30.6 | 0 | 0 | 0 | 112 | T425 | T425-P427 WeakPolarHBondContact O-CD 3.22Š|
| 428 | F | 49.9 | Very low | 75.6 | Confident | 145 Ų | 145 | 39 Ų | 39 | 64% | 0.636 | 25% | 0.253 | S | S | * | . | trans | -101.6 | 109.9 | 177.6 | -57.7 | -80.5 | 0 | 0 | 0 | 109.9 | S426 S430 | S426-F428 PolarHBondContact O-N 2.93Å; S426-F428 PolarHBondContact OG-N 3.14Å; S426-F428 VanDerWaalsContact OG-N 3.1Å; S426-F428 PolarHBondContact OG-O 2.86Å; F428-S430 WeakPolarHBondContact CB-OG 3.42Å; F428-S430 PolarHBondContact O-N 3.16Å | ||
| 429 | G | 49.1 | Very low | 75.5 | Confident | 62 Ų | 62 | 39.3 Ų | 39.3 | 64% | 0.639 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -59.9 | -1.2 | 168 | 0 | 0 | 0 | 0 | 0 | 114.1 | L431 V432 | G429-L431 VanDerWaalsContact C-N 3.25Å; G429-L431 PolarHBondContact O-N 3.47Å; G429-V432 WeakPolarHBondContact O-CB 3.43Å; G429-V432 WeakPolarHBondContact O-CG2 3.3Å; G429-V432 PolarHBondContact O-N 3.07Å |
| 430 | S | 48.4 | Very low | 75.3 | Confident | 79 Ų | 79 | 42.5 Ų | 42.5 | 55% | 0.552 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -63.7 | -24.5 | 176.8 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | F428 V432 S433 | F428-S430 WeakPolarHBondContact CB-OG 3.42Å; F428-S430 PolarHBondContact O-N 3.16Å; S430-V432 PolarHBondContact O-N 2.8Å; S430-S433 PolarHBondContact O-N 2.83Å; S430-S433 PolarHBondContact O-OG 3.42Å |
| 431 | L | 57.9 | Low | 75 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -66.5 | -16.6 | 175.2 | -98.3 | 118.5 | 0 | 0 | 0 | 113.3 | L385 I423 S426 G429 L438 | L385-L431 HydrophobicContact CB-CD2 3.95Å; L385-L431 HydrophobicContact CD1-CD2 4.39Å; I423-L431 HydrophobicContact CG1-CB 4.04Å; I423-L431 HydrophobicContact CG1-CD2 4.39Å; S426-L431 WeakPolarHBondContact OG-CD1 3.17Å; G429-L431 VanDerWaalsContact C-N 3.25Å; G429-L431 PolarHBondContact O-N 3.47Å; L431-L438 HydrophobicContact CD2-CD1 3.85Å; L431-L438 HydrophobicContact CG-CD1 4.46Å |
| 432 | V | 57.5 | Low | 75 | Confident | 55 Ų | 55 | 42.6 Ų | 42.6 | 33% | 0.333 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -72.8 | -33.4 | 179.3 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | I423 G429 S430 G434 S435 | I423-V432 HydrophobicContact CG2-CG2 3.92Å; G429-V432 WeakPolarHBondContact O-CB 3.43Å; G429-V432 WeakPolarHBondContact O-CG2 3.3Å; G429-V432 PolarHBondContact O-N 3.07Å; S430-V432 PolarHBondContact O-N 2.8Å; V432-G434 PolarHBondContact O-N 2.97Å; V432-S435 PolarHBondContact O-N 2.87Å; V432-S435 PolarHBondContact O-OG 3.36Å |
| 433 | S | 57.2 | Low | 75 | Confident | 101 Ų | 101 | 43 Ų | 43 | 71% | 0.706 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 111.7 | 174 | 72.7 | 0 | 0 | 0 | 0 | 109.7 | S430 | S430-S433 PolarHBondContact O-N 2.83Å; S430-S433 PolarHBondContact O-OG 3.42Å |
| 434 | G | 75.7 | Confident | 74.9 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 32% | 0.32 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | 10.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | V432 A436 Q437 L438 | V432-G434 PolarHBondContact O-N 2.97Å; G434-A436 PolarHBondContact O-N 2.83Å; G434-A436 VanDerWaalsContact O-N 3.09Å; G434-Q437 PolarHBondContact O-N 2.93Å; G434-L438 PolarHBondContact O-N 2.89Å |
| 435 | S | 81.2 | Confident | 75.1 | Confident | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -46.8 | -37.3 | 172.8 | 49.7 | 0 | 0 | 0 | 0 | 113.6 | L323 V432 Q437 L438 I439 | L323-S435 WeakPolarHBondContact O-CB 3.22Å; L323-S435 PolarHBondContact O-OG 2.77Å; V432-S435 PolarHBondContact O-N 2.87Å; V432-S435 PolarHBondContact O-OG 3.36Å; S435-Q437 PolarHBondContact O-N 2.9Å; S435-L438 PolarHBondContact O-N 3.3Å; S435-I439 WeakPolarHBondContact O-CD1 3.19Å; S435-I439 VanDerWaalsContact O-CG1 3.24Å; S435-I439 WeakPolarHBondContact O-CG1 3.2Å; S435-I439 PolarHBondContact O-N 2.65Å |
| 436 | A | 86.7 | Confident | 75.4 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F324 G434 L438 I439 E440 | F324-A436 HydrophobicContact CD2-CB 3.62Å; F324-A436 HydrophobicContact CE2-CB 4.13Å; G434-A436 PolarHBondContact O-N 2.83Å; G434-A436 VanDerWaalsContact O-N 3.09Å; A436-L438 VanDerWaalsContact C-N 3.35Å; A436-I439 PolarHBondContact O-N 3.41Å; A436-E440 PolarHBondContact O-N 3.05Å; A436-E440 VanDerWaalsContact O-N 3.11Å |
| 437 | Q | 87.7 | Confident | 76.1 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 38% | 0.379 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.8 | -33.6 | 177.9 | -63.5 | 169.6 | -1.7 | 0 | 0 | 111 | P390 L394 G434 S435 E440 L441 | P390-Q437 HydrophobicContact CB-CB 3.82Å; L394-Q437 HydrophobicContact CD1-CB 4.29Å; G434-Q437 PolarHBondContact O-N 2.93Å; S435-Q437 PolarHBondContact O-N 2.9Å; Q437-E440 PolarHBondContact O-N 3.18Å; Q437-L441 VanDerWaalsContact O-CB 3.26Å; Q437-L441 WeakPolarHBondContact O-CB 3.39Å; Q437-L441 PolarHBondContact O-N 2.95Å |
| 438 | L | 89 | Confident | 77.2 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 173 | -74.3 | 167.1 | 0 | 0 | 0 | 111.9 | L385 P390 V419 L431 G434 S435 A436 E440 L441 F442 | L385-L438 HydrophobicContact CB-CD2 4.19Å; L385-L438 HydrophobicContact CD2-CD2 4.05Å; P390-L438 HydrophobicContact CB-CD2 4.29Å; P390-L438 HydrophobicContact CG-CD2 3.43Å; P390-L438 VanDerWaalsContact CG-CD2 3.43Å; P390-L438 HydrophobicContact CG-CG 3.78Å; V419-L438 HydrophobicContact CG1-CB 4.48Å; L431-L438 HydrophobicContact CD2-CD1 3.85Å; L431-L438 HydrophobicContact CG-CD1 4.46Å; G434-L438 PolarHBondContact O-N 2.89Å; S435-L438 PolarHBondContact O-N 3.3Å; A436-L438 VanDerWaalsContact C-N 3.35Å; L438-E440 VanDerWaalsContact C-N 3.34Å; L438-E440 PolarHBondContact O-N 3.3Å; L438-L441 PolarHBondContact O-N 3.05Å; L438-F442 WeakPolarHBondContact O-CB 3.27Å; L438-F442 PolarHBondContact O-N 3.18Å |
| 439 | I | 91.1 | Very high | 78.9 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 175.4 | -70.2 | 159.5 | 0 | 0 | 0 | 110.4 | F324 T412 I416 V419 S435 A436 F442 S443 | F324-I439 HydrophobicContact CB-CD1 4.1Å; T412-I439 HydrophobicContact CG2-CG2 4.46Å; I416-I439 HydrophobicContact CD1-CG2 4.44Å; I416-I439 HydrophobicContact CG1-CD1 4.03Å; I416-I439 HydrophobicContact CG1-CG1 4.17Å; I416-I439 HydrophobicContact CG1-CG2 3.68Å; V419-I439 HydrophobicContact CB-CG1 4.27Å; V419-I439 HydrophobicContact CG1-CG1 4.16Å; V419-I439 HydrophobicContact CG2-CG1 4.35Å; S435-I439 WeakPolarHBondContact O-CD1 3.19Å; S435-I439 VanDerWaalsContact O-CG1 3.24Å; S435-I439 WeakPolarHBondContact O-CG1 3.2Å; S435-I439 PolarHBondContact O-N 2.65Å; A436-I439 PolarHBondContact O-N 3.41Å; I439-F442 PolarHBondContact O-N 3.47Å; I439-S443 VanDerWaalsContact O-CB 3.24Å; I439-S443 WeakPolarHBondContact O-CB 3.38Å; I439-S443 PolarHBondContact O-N 2.83Å |
| 440 | E | 88 | Confident | 80.6 | Confident | 68 Ų | 68 | 27.8 Ų | 27.8 | 32% | 0.318 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 179.7 | -172.6 | 167.3 | -150.2 | 0 | 0 | 112.3 | R185 L394 A436 Q437 L438 S444 | R185-E440 IonicContact CZ-OE1 3.54Å; R185-E440 IonicContact NE-OE1 2.72Å; R185-E440 PolarHBondContact NE-OE1 3.42Å; R185-E440 IonicContact NH2-OE1 3.7Å; R185-E440 PolarHBondContact NH2-OE1 2.76Å; L394-E440 HydrophobicContact CD1-CB 4.27Å; L394-E440 HydrophobicContact CD1-CG 4.31Å; L394-E440 HydrophobicContact CD2-CB 4.44Å; L394-E440 HydrophobicContact CD2-CG 3.94Å; A436-E440 PolarHBondContact O-N 3.05Å; A436-E440 VanDerWaalsContact O-N 3.11Å; Q437-E440 PolarHBondContact O-N 3.18Å; L438-E440 VanDerWaalsContact C-N 3.34Å; L438-E440 PolarHBondContact O-N 3.3Å; E440-S444 WeakPolarHBondContact O-CB 3.34Å; E440-S444 PolarHBondContact O-N 3.36Å; E440-S444 PolarHBondContact O-OG 3.02Å |
| 441 | L | 87.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.6 | -53.1 | 174.6 | 179 | 71.2 | 0 | 0 | 0 | 110.5 | F27 V388 P390 K393 L394 L397 Q437 L438 S443 S444 F445 | F27-L441 HydrophobicContact CZ-CD2 4.13Å; V388-L441 HydrophobicContact CG1-CD2 3.92Å; P390-L441 HydrophobicContact CB-CB 4.46Å; P390-L441 HydrophobicContact CB-CD2 4.15Å; K393-L441 HydrophobicContact CB-CD1 3.68Å; K393-L441 HydrophobicContact CB-CD2 4.49Å; K393-L441 HydrophobicContact CG-CD1 3.66Å; L394-L441 HydrophobicContact CD2-CB 4.32Å; L394-L441 HydrophobicContact CD2-CD1 4.36Å; L394-L441 HydrophobicContact CG-CB 4.26Å; L394-L441 HydrophobicContact CG-CD1 4.21Å; L397-L441 HydrophobicContact CD1-CD1 3.97Å; Q437-L441 VanDerWaalsContact O-CB 3.26Å; Q437-L441 WeakPolarHBondContact O-CB 3.39Å; Q437-L441 PolarHBondContact O-N 2.95Å; L438-L441 PolarHBondContact O-N 3.05Å; L441-S443 PolarHBondContact O-N 3.07Å; L441-S444 WeakPolarHBondContact O-CB 3.34Å; L441-S444 PolarHBondContact O-N 3.18Å; L441-S444 VanDerWaalsContact O-N 3.15Å; L441-F445 HydrophobicContact CD1-CD2 3.73Å; L441-F445 HydrophobicContact CD1-CE2 3.52Å; L441-F445 HydrophobicContact CG-CD2 4.1Å; L441-F445 HydrophobicContact CG-CE2 4.31Å; L441-F445 WeakPolarHBondContact O-CD2 3.34Å; L441-F445 PolarHBondContact O-N 2.78Å |
| 442 | F | 90.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | -175.6 | -166.6 | -89.8 | 0 | 0 | 0 | 111.3 | F31 M35 L381 L385 S415 L418 V419 L438 I439 S444 F445 L446 | F31-F442 HydrophobicContact CD2-CD2 4.41Å; F31-F442 HydrophobicContact CD2-CE2 4.22Å; F31-F442 AromaticContact CE2-CD2 3.41Å; F31-F442 HydrophobicContact CE2-CD2 3.41Å; F31-F442 VanDerWaalsContact CE2-CD2 3.41Å; F31-F442 AromaticContact CE2-CE2 3.27Å; F31-F442 HydrophobicContact CE2-CE2 3.27Å; F31-F442 HydrophobicContact CE2-CG 4.2Å; F31-F442 HydrophobicContact CE2-CZ 4.03Å; F31-F442 HydrophobicContact CZ-CD2 4.09Å; F31-F442 AromaticContact CZ-CE2 3.74Å; F31-F442 HydrophobicContact CZ-CE2 3.74Å; F31-F442 HydrophobicContact CZ-CZ 4.02Å; M35-F442 HydrophobicContact CE-CE2 3.7Å; M35-F442 HydrophobicContact CE-CZ 3.47Å; M35-F442 VanDerWaalsContact CE-CZ 3.47Å; M35-F442 HydrophobicContact SD-CE2 4.37Å; M35-F442 HydrophobicContact SD-CZ 3.7Å; L381-F442 HydrophobicContact CD1-CD2 3.95Å; L381-F442 HydrophobicContact CD1-CE2 3.25Å; L381-F442 HydrophobicContact CD1-CZ 3.98Å; L381-F442 HydrophobicContact CD2-CE2 4.35Å; L381-F442 HydrophobicContact CD2-CZ 4.34Å; L381-F442 HydrophobicContact CG-CE2 4.43Å; L385-F442 HydrophobicContact CD2-CD2 4.1Å; S415-F442 WeakPolarHBondContact OG-CD1 2.9Å; L418-F442 HydrophobicContact CB-CE1 4.08Å; L418-F442 HydrophobicContact CB-CZ 4.33Å; L418-F442 HydrophobicContact CD1-CE1 3.62Å; L418-F442 HydrophobicContact CD1-CZ 3.87Å; V419-F442 HydrophobicContact CG2-CB 4.16Å; V419-F442 HydrophobicContact CG2-CG 4.29Å; L438-F442 WeakPolarHBondContact O-CB 3.27Å; L438-F442 PolarHBondContact O-N 3.18Å; I439-F442 PolarHBondContact O-N 3.47Å; F442-S444 VanDerWaalsContact C-N 3.31Å; F442-S444 PolarHBondContact O-N 2.82Å; F442-F445 PolarHBondContact O-N 3.46Å; F442-L446 HydrophobicContact CE1-CB 4.44Å; F442-L446 HydrophobicContact CE1-CD2 4.22Å; F442-L446 WeakPolarHBondContact O-CB 3.31Å; F442-L446 PolarHBondContact O-N 3.39Å |
| 443 | S | 90.6 | Very high | 84 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 173.9 | 177.7 | 0 | 0 | 0 | 0 | 112.5 | T412 S415 I439 L441 L446 S447 | T412-S443 PolarHBondContact OG1-OG 2.77Å; S415-S443 VanDerWaalsContact OG-CA 3.22Å; S415-S443 WeakPolarHBondContact OG-CA 3.5Å; S415-S443 PolarHBondContact OG-N 3.22Å; I439-S443 VanDerWaalsContact O-CB 3.24Å; I439-S443 WeakPolarHBondContact O-CB 3.38Å; I439-S443 PolarHBondContact O-N 2.83Å; L441-S443 PolarHBondContact O-N 3.07Å; S443-L446 PolarHBondContact O-N 2.95Å; S443-S447 WeakPolarHBondContact O-CB 3.41Å; S443-S447 PolarHBondContact O-N 3.16Å; S443-S447 PolarHBondContact O-OG 3.41Å |
| 444 | S | 86.8 | Confident | 84.4 | Confident | 11 Ų | 11 | 25.5 Ų | 25.5 | 8% | 0.077 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -46.1 | 178 | -58.4 | 0 | 0 | 0 | 0 | 112 | E440 L441 F442 S447 Y448 | E440-S444 WeakPolarHBondContact O-CB 3.34Å; E440-S444 PolarHBondContact O-N 3.36Å; E440-S444 PolarHBondContact O-OG 3.02Å; L441-S444 WeakPolarHBondContact O-CB 3.34Å; L441-S444 PolarHBondContact O-N 3.18Å; L441-S444 VanDerWaalsContact O-N 3.15Å; F442-S444 VanDerWaalsContact C-N 3.31Å; F442-S444 PolarHBondContact O-N 2.82Å; S444-S447 PolarHBondContact O-N 2.94Å; S444-Y448 PolarHBondContact O-N 2.8Å |
| 445 | F | 87.8 | Confident | 83.3 | Confident | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -70.1 | -36.1 | 176.9 | -86 | -88.1 | 0 | 0 | 0 | 112.6 | F27 E28 F31 K393 L397 L441 F442 S447 Y448 Y449 | F27-F445 HydrophobicContact CD1-CD1 4.33Å; F27-F445 AromaticContact CD1-CE1 3.82Å; F27-F445 HydrophobicContact CD1-CE1 3.82Å; F27-F445 HydrophobicContact CD1-CE2 4.04Å; F27-F445 AromaticContact CD1-CZ 3.66Å; F27-F445 HydrophobicContact CD1-CZ 3.66Å; F27-F445 HydrophobicContact CE1-CD1 4.13Å; F27-F445 AromaticContact CE1-CD2 3.86Å; F27-F445 HydrophobicContact CE1-CD2 3.86Å; F27-F445 HydrophobicContact CE1-CE1 4.02Å; F27-F445 AromaticContact CE1-CE2 3.75Å; F27-F445 HydrophobicContact CE1-CE2 3.75Å; F27-F445 HydrophobicContact CE1-CG 4.06Å; F27-F445 AromaticContact CE1-CZ 3.83Å; F27-F445 HydrophobicContact CE1-CZ 3.83Å; E28-F445 HydrophobicContact CB-CE1 3.92Å; E28-F445 HydrophobicContact CG-CD1 4.39Å; E28-F445 HydrophobicContact CG-CE1 3.98Å; F31-F445 HydrophobicContact CD1-CB 3.96Å; F31-F445 HydrophobicContact CD1-CD1 4.5Å; F31-F445 HydrophobicContact CD2-CB 3.84Å; F31-F445 HydrophobicContact CD2-CG 4.35Å; F31-F445 HydrophobicContact CE1-CB 3.69Å; F31-F445 HydrophobicContact CE2-CB 3.53Å; F31-F445 HydrophobicContact CE2-CG 4.45Å; F31-F445 HydrophobicContact CG-CB 4.04Å; F31-F445 HydrophobicContact CG-CD1 4.32Å; F31-F445 HydrophobicContact CG-CG 4.45Å; F31-F445 HydrophobicContact CZ-CB 3.49Å; F31-F445 VanDerWaalsContact CZ-CB 3.49Å; K393-F445 HydrophobicContact CG-CE2 3.95Å; K393-F445 HydrophobicContact CG-CZ 4.19Å; L397-F445 HydrophobicContact CD1-CD2 4.14Å; L397-F445 HydrophobicContact CD1-CE2 3.72Å; L397-F445 HydrophobicContact CD2-CE2 4.22Å; L397-F445 HydrophobicContact CD2-CZ 4.45Å; L397-F445 HydrophobicContact CG-CE2 4.14Å; L441-F445 HydrophobicContact CD1-CD2 3.73Å; L441-F445 HydrophobicContact CD1-CE2 3.52Å; L441-F445 HydrophobicContact CG-CD2 4.1Å; L441-F445 HydrophobicContact CG-CE2 4.31Å; L441-F445 WeakPolarHBondContact O-CD2 3.34Å; L441-F445 PolarHBondContact O-N 2.78Å; F442-F445 PolarHBondContact O-N 3.46Å; F445-S447 VanDerWaalsContact C-N 3.34Å; F445-Y448 WeakPolarHBondContact O-CB 3.45Å; F445-Y448 PolarHBondContact O-N 3.08Å; F445-Y449 WeakPolarHBondContact O-CB 3.37Å; F445-Y449 PolarHBondContact O-N 3.13Å |
| 446 | L | 89.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.3 | -39.1 | 175.2 | -173.9 | 63.6 | 0 | 0 | 0 | 111.1 | F31 M35 L411 L414 F442 S443 Y448 Y449 Y450 | F31-L446 HydrophobicContact CZ-CB 4.18Å; M35-L446 HydrophobicContact CG-CD1 4.41Å; M35-L446 HydrophobicContact SD-CD1 3.92Å; L411-L446 HydrophobicContact CB-CD2 4.25Å; L411-L446 HydrophobicContact CD2-CD2 3.98Å; L411-L446 HydrophobicContact CD2-CG 4.04Å; L414-L446 HydrophobicContact CB-CD2 4.47Å; L414-L446 HydrophobicContact CD2-CD2 4.1Å; L414-L446 HydrophobicContact CG-CD2 4.26Å; F442-L446 HydrophobicContact CE1-CB 4.44Å; F442-L446 HydrophobicContact CE1-CD2 4.22Å; F442-L446 WeakPolarHBondContact O-CB 3.31Å; F442-L446 PolarHBondContact O-N 3.39Å; S443-L446 PolarHBondContact O-N 2.95Å; L446-Y448 VanDerWaalsContact C-N 3.34Å; L446-Y449 HydrophobicContact CD1-CD1 4.29Å; L446-Y449 PolarHBondContact O-N 3.03Å; L446-Y450 WeakPolarHBondContact O-CB 3.49Å; L446-Y450 PolarHBondContact O-N 3.35Å |
| 447 | S | 86 | Confident | 79.1 | Confident | 5 Ų | 5 | 32.9 Ų | 32.9 | 4% | 0.035 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 171.7 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | S443 S444 F445 Y450 V451 | S443-S447 WeakPolarHBondContact O-CB 3.41Å; S443-S447 PolarHBondContact O-N 3.16Å; S443-S447 PolarHBondContact O-OG 3.41Å; S444-S447 PolarHBondContact O-N 2.94Å; F445-S447 VanDerWaalsContact C-N 3.34Å; S447-Y450 PolarHBondContact O-N 3.35Å; S447-V451 VanDerWaalsContact O-CG2 3.3Å; S447-V451 WeakPolarHBondContact O-CG2 3.32Å; S447-V451 PolarHBondContact O-N 3.21Å |
| 448 | Y | 83.4 | Confident | 76.5 | Confident | 28 Ų | 28 | 34.6 Ų | 34.6 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -50.7 | 175.1 | 176.5 | -94.8 | 0 | 0 | 0 | 111.9 | E28 Y158 M161 F399 S444 F445 L446 Y450 V451 K452 | E28-Y448 HydrophobicContact CG-CD1 4.44Å; E28-Y448 HydrophobicContact CG-CE1 4.06Å; E28-Y448 WeakPolarHBondContact OE1-CE1 3.35Å; E28-Y448 VanDerWaalsContact OE1-CZ 3.24Å; E28-Y448 PolarHBondContact OE1-OH 2.68Å; E28-Y448 VanDerWaalsContact OE1-OH 3.08Å; Y158-Y448 HydrophobicContact CE1-CD2 4.49Å; Y158-Y448 HydrophobicContact CE1-CE2 4.24Å; M161-Y448 HydrophobicContact CE-CD2 3.44Å; M161-Y448 VanDerWaalsContact CE-CD2 3.44Å; M161-Y448 HydrophobicContact CE-CE2 3.39Å; M161-Y448 HydrophobicContact CE-CG 4.27Å; M161-Y448 HydrophobicContact SD-CD2 3.66Å; M161-Y448 HydrophobicContact SD-CE2 3.84Å; F399-Y448 HydrophobicContact CD1-CD2 4.34Å; S444-Y448 PolarHBondContact O-N 2.8Å; F445-Y448 WeakPolarHBondContact O-CB 3.45Å; F445-Y448 PolarHBondContact O-N 3.08Å; L446-Y448 VanDerWaalsContact C-N 3.34Å; Y448-Y450 VanDerWaalsContact C-N 3.31Å; Y448-Y450 PolarHBondContact O-N 3.31Å; Y448-V451 PolarHBondContact O-N 3.03Å; Y448-K452 HydrophobicContact CE1-CB 4.49Å; Y448-K452 HydrophobicContact CE1-CD 3.65Å; Y448-K452 WeakPolarHBondContact O-CB 3.31Å; Y448-K452 PolarHBondContact O-N 3.03Å |
| 449 | Y | 85.8 | Confident | 73.7 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.1 | -47.4 | 176.1 | 171.4 | -93.1 | 0 | 0 | 0 | 111.1 | D32 M35 D36 F445 L446 K452 K453 | D32-Y449 HydrophobicContact CB-CD2 4.5Å; M35-Y449 HydrophobicContact CB-CD1 4.09Å; M35-Y449 HydrophobicContact CB-CD2 3.74Å; M35-Y449 HydrophobicContact CB-CE1 3.87Å; M35-Y449 HydrophobicContact CB-CE2 3.48Å; M35-Y449 VanDerWaalsContact CB-CE2 3.48Å; M35-Y449 HydrophobicContact CB-CG 4.04Å; M35-Y449 HydrophobicContact CG-CD1 4.38Å; M35-Y449 HydrophobicContact CG-CD2 4.26Å; M35-Y449 HydrophobicContact CG-CE2 4.46Å; M35-Y449 HydrophobicContact CG-CG 4.21Å; D36-Y449 PolarHBondContact OD1-OH 3Å; D36-Y449 VanDerWaalsContact OD1-OH 3.05Å; F445-Y449 WeakPolarHBondContact O-CB 3.37Å; F445-Y449 PolarHBondContact O-N 3.13Å; L446-Y449 HydrophobicContact CD1-CD1 4.29Å; L446-Y449 PolarHBondContact O-N 3.03Å; Y449-K452 PolarHBondContact O-N 3.18Å; Y449-K453 HydrophobicContact CD2-CG 4.04Å; Y449-K453 HydrophobicContact CE1-CG 4.36Å; Y449-K453 HydrophobicContact CE2-CD 4.31Å; Y449-K453 HydrophobicContact CE2-CG 3.77Å; Y449-K453 HydrophobicContact CG-CG 4.46Å; Y449-K453 WeakPolarHBondContact O-CB 3.32Å; Y449-K453 WeakPolarHBondContact O-CG 3.36Å; Y449-K453 PolarHBondContact O-N 3.2Å |
| 450 | Y | 84.6 | Confident | 70.6 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.9 | -50.6 | 179.7 | -175 | -111.5 | 0 | 0 | 0 | 112 | L46 P47 K48 P49 I50 L411 L446 S447 Y448 K452 K453 L454 | L46-Y450 HydrophobicContact CB-CE2 4.23Å; L46-Y450 HydrophobicContact CD2-CD2 4.26Å; P47-Y450 HydrophobicContact CG-CE1 4.07Å; P47-Y450 PolarHBondContact O-OH 3.12Å; K48-Y450 PolarHBondContact O-OH 3.24Å; P49-Y450 VanDerWaalsContact CA-OH 3.3Å; P49-Y450 WeakPolarHBondContact CA-OH 3.29Å; I50-Y450 HydrophobicContact CD1-CE1 4.47Å; I50-Y450 HydrophobicContact CG1-CE1 4.33Å; L411-Y450 HydrophobicContact CD1-CD1 4.03Å; L411-Y450 HydrophobicContact CD1-CG 4.11Å; L411-Y450 HydrophobicContact CD2-CG 4.41Å; L446-Y450 WeakPolarHBondContact O-CB 3.49Å; L446-Y450 PolarHBondContact O-N 3.35Å; S447-Y450 PolarHBondContact O-N 3.35Å; Y448-Y450 VanDerWaalsContact C-N 3.31Å; Y448-Y450 PolarHBondContact O-N 3.31Å; Y450-K452 VanDerWaalsContact C-N 3.31Å; Y450-K452 PolarHBondContact O-N 3.17Å; Y450-K453 PolarHBondContact O-N 3.44Å; Y450-L454 HydrophobicContact CD1-CD1 3.81Å; Y450-L454 HydrophobicContact CE1-CD1 3.58Å; Y450-L454 HydrophobicContact CE1-CG 4.46Å; Y450-L454 HydrophobicContact CG-CD1 4.37Å; Y450-L454 WeakPolarHBondContact O-CB 3.35Å; Y450-L454 WeakPolarHBondContact O-CD1 3.36Å; Y450-L454 VanDerWaalsContact O-CG 3.3Å; Y450-L454 WeakPolarHBondContact O-CG 3.35Å; Y450-L454 PolarHBondContact O-N 3.5Å |
| 451 | V | 79 | Confident | 69.8 | Low | 23 Ų | 23 | 48.4 Ų | 48.4 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -35 | 177.5 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | I50 M161 I165 S447 Y448 | I50-V451 HydrophobicContact CD1-CG2 4.26Å; M161-V451 HydrophobicContact CE-CB 3.9Å; M161-V451 HydrophobicContact CE-CG1 3.77Å; M161-V451 HydrophobicContact CG-CG1 3.76Å; M161-V451 HydrophobicContact SD-CB 4.45Å; M161-V451 HydrophobicContact SD-CG1 4.11Å; I165-V451 HydrophobicContact CG1-CG1 4.44Å; S447-V451 VanDerWaalsContact O-CG2 3.3Å; S447-V451 WeakPolarHBondContact O-CG2 3.32Å; S447-V451 PolarHBondContact O-N 3.21Å; Y448-V451 PolarHBondContact O-N 3.03Å |
| 452 | K | 79.2 | Confident | 68.8 | Low | 83 Ų | 83 | 50.9 Ų | 50.9 | 36% | 0.361 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70 | -37.5 | 179.3 | -178.9 | 179.8 | 177.7 | -177.8 | 0 | 112.8 | D32 M161 Y448 Y449 Y450 P455 | D32-K452 IonicContact OD2-NZ 3.01Å; D32-K452 PolarHBondContact OD2-NZ 3.37Å; M161-K452 HydrophobicContact CE-CB 4.2Å; Y448-K452 HydrophobicContact CE1-CB 4.49Å; Y448-K452 HydrophobicContact CE1-CD 3.65Å; Y448-K452 WeakPolarHBondContact O-CB 3.31Å; Y448-K452 PolarHBondContact O-N 3.03Å; Y449-K452 PolarHBondContact O-N 3.18Å; Y450-K452 VanDerWaalsContact C-N 3.31Å; Y450-K452 PolarHBondContact O-N 3.17Å; K452-P455 WeakPolarHBondContact O-CD 3.37Å; K452-P455 VanDerWaalsContact O-CG 3.26Å; K452-P455 WeakPolarHBondContact O-CG 3.29Å |
| 453 | K | 77.8 | Confident | 67.6 | Low | 66 Ų | 66 | 53.7 Ų | 53.7 | 29% | 0.287 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -93.7 | -11.6 | -175.5 | -65.9 | -77.8 | -173.6 | 146.7 | 0 | 114.4 | D36 Y449 Y450 P455 D456 | D36-K453 VanDerWaalsContact CG-NZ 3.29Å; D36-K453 WeakPolarHBondContact OD1-CE 3.39Å; D36-K453 IonicContact OD1-NZ 2.66Å; D36-K453 PolarHBondContact OD1-NZ 3.2Å; D36-K453 IonicContact OD2-NZ 2.73Å; D36-K453 PolarHBondContact OD2-NZ 3.18Å; Y449-K453 HydrophobicContact CD2-CG 4.04Å; Y449-K453 HydrophobicContact CE1-CG 4.36Å; Y449-K453 HydrophobicContact CE2-CD 4.31Å; Y449-K453 HydrophobicContact CE2-CG 3.77Å; Y449-K453 HydrophobicContact CG-CG 4.46Å; Y449-K453 WeakPolarHBondContact O-CB 3.32Å; Y449-K453 WeakPolarHBondContact O-CG 3.36Å; Y449-K453 PolarHBondContact O-N 3.2Å; Y450-K453 PolarHBondContact O-N 3.44Å; K453-P455 VanDerWaalsContact C-N 3.29Å; K453-P455 WeakPolarHBondContact O-CD 2.97Å; K453-D456 PolarHBondContact O-N 3.27Å |
| 454 | L | 65.2 | Low | 66.2 | Low | 26 Ų | 26 | 56.3 Ų | 56.3 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -53 | -25.5 | 168.6 | -92.1 | 160 | 0 | 0 | 0 | 117.1 | P49 I50 Y450 D456 | P49-L454 HydrophobicContact CB-CD2 3.68Å; I50-L454 HydrophobicContact CB-CD1 3.99Å; I50-L454 HydrophobicContact CD1-CD1 3.84Å; I50-L454 HydrophobicContact CG1-CD1 3.8Å; Y450-L454 HydrophobicContact CD1-CD1 3.81Å; Y450-L454 HydrophobicContact CE1-CD1 3.58Å; Y450-L454 HydrophobicContact CE1-CG 4.46Å; Y450-L454 HydrophobicContact CG-CD1 4.37Å; Y450-L454 WeakPolarHBondContact O-CB 3.35Å; Y450-L454 WeakPolarHBondContact O-CD1 3.36Å; Y450-L454 VanDerWaalsContact O-CG 3.3Å; Y450-L454 WeakPolarHBondContact O-CG 3.35Å; Y450-L454 PolarHBondContact O-N 3.5Å; L454-D456 VanDerWaalsContact C-N 3.3Å; L454-D456 PolarHBondContact O-N 3.28Å |
| 455 | P | 52 | Low | 65 | Low | 41 Ų | 41 | 59.1 Ų | 59.1 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -72.3 | -11.8 | 176.5 | 9.3 | -2.2 | 0 | 0 | 0 | 115.8 | K452 K453 | K452-P455 WeakPolarHBondContact O-CD 3.37Å; K452-P455 VanDerWaalsContact O-CG 3.26Å; K452-P455 WeakPolarHBondContact O-CG 3.29Å; K453-P455 VanDerWaalsContact C-N 3.29Å; K453-P455 WeakPolarHBondContact O-CD 2.97Å |
| 456 | D | 43 | Very low | 63.4 | Low | 121 Ų | 121 | 62.8 Ų | 62.8 | 65% | 0.647 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -95 | -10.5 | -172.6 | -64.9 | -25.6 | 0 | 0 | 0 | 114.1 | K453 L454 | K453-D456 PolarHBondContact O-N 3.27Å; L454-D456 VanDerWaalsContact C-N 3.3Å; L454-D456 PolarHBondContact O-N 3.28Å |
| 457 | A | 36.5 | Very low | 61.6 | Low | 73 Ų | 73 | 67.3 Ų | 67.3 | 60% | 0.603 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -96.1 | -1.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 458 | T | 34.1 | Very low | 59.7 | Low | 117 Ų | 117 | 72.1 Ų | 72.1 | 72% | 0.718 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -111.6 | 7.4 | -178 | 40.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 459 | N | 28.9 | Very low | 57.7 | Low | 155 Ų | 155 | 75.8 Ų | 75.8 | 83% | 0.829 | 44% | 0.442 | S | S | * | . | trans | -123.2 | 16.3 | 177.5 | -82.3 | -22 | 0 | 0 | 0 | 114 | ||||
| 460 | S | 26.8 | Very low | 55.2 | Low | 168 Ų | 168 | 81.1 Ų | 81.1 | 100% | 1.175 | 48% | 0.476 | S | S | * | . | trans | -103.2 | 0 | 171.6 | 59.7 | 0 | 0 | 0 | 0 | 111.8 |
Retrieved 460 of 460 residues in 504.9 ms
(Link to these results)