| 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 | 27.7 | Very low | 36.8 | Very low | 239 Ų | 239 | 120.6 Ų | 120.6 | 100% | 1.177 | 64% | 0.644 | S | S | * | * | 0 | 107.5 | 0 | -75.3 | -178.4 | 176.9 | 0 | 0 | 106.3 | |||||
| 2 | D | 31 | Very low | 37.1 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 84% | 0.84 | 64% | 0.637 | S | S | * | * | trans | 31.1 | 92.3 | 163 | -51 | -25.2 | 0 | 0 | 0 | 118.9 | I4 | D2-I4 PolarHBondContact O-N 3.33Å; D2-I4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | V | 30.4 | Very low | 37.6 | Very low | 139 Ų | 139 | 115.2 Ų | 115.2 | 84% | 0.842 | 61% | 0.609 | S | S | * | * | trans | -64 | 101.9 | 154.5 | -177.4 | 0 | 0 | 0 | 0 | 106.6 | P5 | V3-P5 VanDerWaalsContact O-CD 3.26Å; V3-P5 WeakPolarHBondContact O-CD 3.43Å; V3-P5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | I | 35 | Very low | 38.2 | Very low | 116 Ų | 116 | 114.4 Ų | 114.4 | 60% | 0.595 | 60% | 0.6 | S | S | * | * | trans | -59.5 | 115.5 | 167.6 | -61.8 | 173.3 | 0 | 0 | 0 | 105.8 | D2 M6 | D2-I4 PolarHBondContact O-N 3.33Å; D2-I4 VanDerWaalsContact O-N 3.09Å; I4-M6 PolarHBondContact O-N 2.92Å | ||
| 5 | P | 40.4 | Very low | 38.3 | Very low | 77 Ų | 77 | 111.7 Ų | 111.7 | 50% | 0.5 | 59% | 0.585 | S | S | . | * | trans | -66.4 | 132 | -179 | 26.2 | -30.4 | 0 | 0 | 0 | 107.4 | V3 C7 S8 | V3-P5 VanDerWaalsContact O-CD 3.26Å; V3-P5 WeakPolarHBondContact O-CD 3.43Å; V3-P5 VanDerWaalsContact O-N 3.12Å; P5-C7 HydrophobicContact CB-CB 4.45Å; P5-C7 PolarHBondContact O-N 3.3Å; P5-S8 PolarHBondContact O-N 2.95Å | ||
| 6 | M | 36.2 | Very low | 38.7 | Very low | 131 Ų | 131 | 108.3 Ų | 108.3 | 65% | 0.645 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.4 | -23.2 | 174.7 | -78.6 | -95 | -101.3 | 0 | 0 | 114.2 | I4 S8 I9 F10 | I4-M6 PolarHBondContact O-N 2.92Å; M6-S8 PolarHBondContact O-N 3.3Å; M6-I9 PolarHBondContact O-N 3.11Å; M6-F10 WeakPolarHBondContact O-CD2 3.41Å; M6-F10 PolarHBondContact O-N 3.35Å |
| 7 | C | 37.4 | Very low | 39.1 | Very low | 89 Ų | 89 | 106.1 Ų | 106.1 | 60% | 0.601 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -49 | -35.5 | 167.5 | -69.4 | 0 | 0 | 0 | 0 | 114.6 | P5 Q11 | P5-C7 HydrophobicContact CB-CB 4.45Å; P5-C7 PolarHBondContact O-N 3.3Å; C7-Q11 WeakPolarHBondContact O-CB 3.46Å; C7-Q11 PolarHBondContact O-N 3.47Å |
| 8 | S | 37.6 | Very low | 39.3 | Very low | 56 Ų | 56 | 104.4 Ų | 104.4 | 39% | 0.392 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75 | -36.9 | -178.1 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | P5 M6 Q11 E12 | P5-S8 PolarHBondContact O-N 2.95Å; M6-S8 PolarHBondContact O-N 3.3Å; S8-Q11 PolarHBondContact O-N 3.17Å; S8-E12 WeakPolarHBondContact O-CG 3.19Å; S8-E12 PolarHBondContact O-N 3.24Å |
| 9 | I | 43 | Very low | 39.5 | Very low | 56 Ų | 56 | 103.6 Ų | 103.6 | 29% | 0.287 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.5 | -42 | 178.8 | -62 | 172.7 | 0 | 0 | 0 | 110.1 | M6 Q11 E12 L13 L39 | M6-I9 PolarHBondContact O-N 3.11Å; I9-Q11 VanDerWaalsContact C-N 3.32Å; I9-Q11 PolarHBondContact O-N 3.2Å; I9-E12 PolarHBondContact O-N 3.47Å; I9-L13 HydrophobicContact CG2-CD1 4.09Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 VanDerWaalsContact O-CG 3.31Å; I9-L13 WeakPolarHBondContact O-CG 3.5Å; I9-L13 PolarHBondContact O-N 3.03Å; I9-L39 HydrophobicContact CG2-CD2 4.28Å |
| 10 | F | 41.1 | Very low | 39.9 | Very low | 137 Ų | 137 | 101.2 Ų | 101.2 | 60% | 0.601 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.4 | -31 | 174.5 | -81.1 | -76.4 | 0 | 0 | 0 | 112.9 | M6 Q14 | M6-F10 WeakPolarHBondContact O-CD2 3.41Å; M6-F10 PolarHBondContact O-N 3.35Å; F10-Q14 WeakPolarHBondContact O-CB 3.32Å; F10-Q14 PolarHBondContact O-N 2.93Å |
| 11 | Q | 45.2 | Very low | 40.1 | Very low | 130 Ų | 130 | 106.3 Ų | 106.3 | 61% | 0.607 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.8 | -37.9 | 176.6 | -167 | 146.7 | 1.6 | 0 | 0 | 111.8 | C7 S8 I9 Q14 I15 | C7-Q11 WeakPolarHBondContact O-CB 3.46Å; C7-Q11 PolarHBondContact O-N 3.47Å; S8-Q11 PolarHBondContact O-N 3.17Å; I9-Q11 VanDerWaalsContact C-N 3.32Å; I9-Q11 PolarHBondContact O-N 3.2Å; Q11-Q14 PolarHBondContact O-N 2.98Å; Q11-I15 HydrophobicContact CG-CD1 4.13Å; Q11-I15 WeakPolarHBondContact O-CB 3.18Å; Q11-I15 VanDerWaalsContact O-CD1 3.26Å; Q11-I15 WeakPolarHBondContact O-CD1 3.4Å; Q11-I15 WeakPolarHBondContact O-CG1 3.22Å; Q11-I15 PolarHBondContact O-N 3.35Å |
| 12 | E | 40 | Very low | 40.9 | Very low | 119 Ų | 119 | 99.1 Ų | 99.1 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.3 | -43.1 | 172.3 | -70.6 | -62.4 | 142.6 | 0 | 0 | 111.8 | S8 I9 Q14 I15 V16 | S8-E12 WeakPolarHBondContact O-CG 3.19Å; S8-E12 PolarHBondContact O-N 3.24Å; I9-E12 PolarHBondContact O-N 3.47Å; E12-Q14 VanDerWaalsContact C-N 3.32Å; E12-Q14 PolarHBondContact O-N 3.31Å; E12-I15 PolarHBondContact O-N 3.33Å; E12-I15 VanDerWaalsContact O-N 3.16Å; E12-V16 WeakPolarHBondContact O-CG2 3.44Å; E12-V16 PolarHBondContact O-N 2.78Å |
| 13 | L | 44.1 | Very low | 41.3 | Very low | 52 Ų | 52 | 97.1 Ų | 97.1 | 27% | 0.272 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 175.6 | -70.9 | 172.3 | 0 | 0 | 0 | 112.6 | I9 H17 T35 L39 | I9-L13 HydrophobicContact CG2-CD1 4.09Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 VanDerWaalsContact O-CG 3.31Å; I9-L13 WeakPolarHBondContact O-CG 3.5Å; I9-L13 PolarHBondContact O-N 3.03Å; L13-H17 PolarHBondContact O-N 3.32Å; L13-T35 HydrophobicContact CD1-CG2 4.41Å; L13-T35 HydrophobicContact CD2-CG2 3.49Å; L13-T35 VanDerWaalsContact CD2-CG2 3.49Å; L13-L39 HydrophobicContact CD1-CD1 4.14Å |
| 14 | Q | 45.1 | Very low | 42.1 | Very low | 103 Ų | 103 | 94.8 Ų | 94.8 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.5 | -35.9 | 172.9 | -169.9 | 65 | 51.6 | 0 | 0 | 112.1 | F10 Q11 E12 H17 D18 | F10-Q14 WeakPolarHBondContact O-CB 3.32Å; F10-Q14 PolarHBondContact O-N 2.93Å; Q11-Q14 PolarHBondContact O-N 2.98Å; E12-Q14 VanDerWaalsContact C-N 3.32Å; E12-Q14 PolarHBondContact O-N 3.31Å; Q14-H17 PolarHBondContact O-N 3.34Å; Q14-D18 PolarHBondContact NE2-OD1 3.39Å; Q14-D18 PolarHBondContact NE2-OD2 2.85Å; Q14-D18 WeakPolarHBondContact O-CB 3.42Å; Q14-D18 PolarHBondContact O-N 3.21Å |
| 15 | I | 40.4 | Very low | 42.4 | Very low | 74 Ų | 74 | 95.2 Ų | 95.2 | 38% | 0.379 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 175.6 | -72.9 | 161.8 | 0 | 0 | 0 | 111.2 | Q11 E12 D18 T19 | Q11-I15 HydrophobicContact CG-CD1 4.13Å; Q11-I15 WeakPolarHBondContact O-CB 3.18Å; Q11-I15 VanDerWaalsContact O-CD1 3.26Å; Q11-I15 WeakPolarHBondContact O-CD1 3.4Å; Q11-I15 WeakPolarHBondContact O-CG1 3.22Å; Q11-I15 PolarHBondContact O-N 3.35Å; E12-I15 PolarHBondContact O-N 3.33Å; E12-I15 VanDerWaalsContact O-N 3.16Å; I15-D18 PolarHBondContact O-N 3.24Å; I15-T19 HydrophobicContact CG2-CG2 4.06Å; I15-T19 WeakPolarHBondContact O-CB 3.49Å; I15-T19 VanDerWaalsContact O-CG2 3.28Å; I15-T19 WeakPolarHBondContact O-CG2 3.38Å; I15-T19 PolarHBondContact O-N 2.84Å; I15-T19 PolarHBondContact O-OG1 2.73Å |
| 16 | V | 44.5 | Very low | 42.7 | Very low | 58 Ų | 58 | 95.2 Ų | 95.2 | 35% | 0.352 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.7 | -35.1 | 178 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | E12 Y31 | E12-V16 WeakPolarHBondContact O-CG2 3.44Å; E12-V16 PolarHBondContact O-N 2.78Å; V16-Y31 HydrophobicContact CG1-CE2 4.5Å; V16-Y31 WeakPolarHBondContact CG1-OH 3.38Å |
| 17 | H | 46.1 | Very low | 43.5 | Very low | 70 Ų | 70 | 92.3 Ų | 92.3 | 32% | 0.324 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 171.8 | -175.3 | -87.2 | 0 | 0 | 0 | 112.6 | L13 Q14 | L13-H17 PolarHBondContact O-N 3.32Å; Q14-H17 PolarHBondContact O-N 3.34Å |
| 18 | D | 42.9 | Very low | 44.1 | Very low | 76 Ų | 76 | 93.3 Ų | 93.3 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -92.2 | -13.4 | -171.3 | -67.5 | -18.5 | 0 | 0 | 0 | 114.8 | Q14 I15 | Q14-D18 PolarHBondContact NE2-OD1 3.39Å; Q14-D18 PolarHBondContact NE2-OD2 2.85Å; Q14-D18 WeakPolarHBondContact O-CB 3.42Å; Q14-D18 PolarHBondContact O-N 3.21Å; I15-D18 PolarHBondContact O-N 3.24Å |
| 19 | T | 42.8 | Very low | 44.6 | Very low | 90 Ų | 90 | 95 Ų | 95 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -2.1 | 179.6 | 48.4 | 0 | 0 | 0 | 0 | 114.5 | I15 Y21 | I15-T19 HydrophobicContact CG2-CG2 4.06Å; I15-T19 WeakPolarHBondContact O-CB 3.49Å; I15-T19 VanDerWaalsContact O-CG2 3.28Å; I15-T19 WeakPolarHBondContact O-CG2 3.38Å; I15-T19 PolarHBondContact O-N 2.84Å; I15-T19 PolarHBondContact O-OG1 2.73Å; T19-Y21 VanDerWaalsContact C-N 3.27Å; T19-Y21 PolarHBondContact O-N 3.09Å |
| 20 | G | 47.8 | Very low | 45 | Very low | 55 Ų | 55 | 96.9 Ų | 96.9 | 57% | 0.567 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 32.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F22 | G20-F22 PolarHBondContact O-N 2.76Š|
| 21 | Y | 42.5 | Very low | 45.6 | Very low | 209 Ų | 209 | 92.8 Ų | 92.8 | 82% | 0.82 | 50% | 0.502 | S | S | * | . | trans | -76.1 | 51.4 | 171.4 | -134.6 | -89.5 | 0 | 0 | 0 | 110.7 | T19 | T19-Y21 VanDerWaalsContact C-N 3.27Å; T19-Y21 PolarHBondContact O-N 3.09Å | ||
| 22 | F | 44.6 | Very low | 46.2 | Very low | 87 Ų | 87 | 94.1 Ų | 94.1 | 38% | 0.382 | 50% | 0.502 | S | S | . | . | trans | -113.4 | 83.9 | 178 | -83.1 | -85.2 | 0 | 0 | 0 | 109.3 | G20 L28 Y31 | G20-F22 PolarHBondContact O-N 2.76Å; F22-L28 HydrophobicContact CZ-CD1 4.2Å; F22-Y31 HydrophobicContact CE1-CG 4.25Å; F22-Y31 AromaticContact CZ-CD1 3.99Å; F22-Y31 HydrophobicContact CZ-CD1 3.99Å; F22-Y31 HydrophobicContact CZ-CD2 4.24Å; F22-Y31 HydrophobicContact CZ-CE1 4.41Å; F22-Y31 AromaticContact CZ-CG 3.9Å; F22-Y31 HydrophobicContact CZ-CG 3.9Å | ||
| 23 | S | 39.2 | Very low | 47 | Very low | 116 Ų | 116 | 92.9 Ų | 92.9 | 81% | 0.811 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -130.9 | 12.4 | 165.7 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 24 | A | 47.8 | Very low | 47.8 | Very low | 89 Ų | 89 | 96.2 Ų | 96.2 | 74% | 0.736 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -159.2 | 33.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 25 | L | 41.7 | Very low | 48.7 | Very low | 125 Ų | 125 | 92.1 Ų | 92.1 | 65% | 0.654 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -138.8 | 148.9 | 171.1 | -71.2 | 174.4 | 0 | 0 | 0 | 112.8 | S27 | L25-S27 PolarHBondContact O-N 3.24Š|
| 26 | P | 46 | Very low | 50 | Low | 77 Ų | 77 | 90.7 Ų | 90.7 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -86.7 | 112.5 | -169.9 | 4.4 | 17.4 | 0 | 0 | 0 | 110.3 | E30 | P26-E30 WeakPolarHBondContact CB-OE2 3.43Å; P26-E30 WeakPolarHBondContact CD-OE2 3.41Å; P26-E30 WeakPolarHBondContact CG-OE2 3.44Å; P26-E30 VanDerWaalsContact O-CB 3.32Å; P26-E30 WeakPolarHBondContact O-CB 3.37Å; P26-E30 WeakPolarHBondContact O-CG 3.22Å |
| 27 | S | 54.4 | Low | 51.1 | Low | 70 Ų | 70 | 92.5 Ų | 92.5 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | trans | 61.8 | 142.7 | 174.8 | 86.9 | 0 | 0 | 0 | 0 | 117.4 | L25 E29 E30 | L25-S27 PolarHBondContact O-N 3.24Å; S27-E29 PolarHBondContact O-N 2.98Å; S27-E30 PolarHBondContact O-N 3.49Å | ||
| 28 | L | 49.1 | Very low | 52.1 | Low | 110 Ų | 110 | 95.4 Ų | 95.4 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -25.7 | 180 | -169.7 | 69.3 | 0 | 0 | 0 | 112.8 | F22 W32 | F22-L28 HydrophobicContact CZ-CD1 4.2Å; L28-W32 PolarHBondContact O-N 3.23Å |
| 29 | E | 49.1 | Very low | 53.1 | Low | 92 Ų | 92 | 94.9 Ų | 94.9 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.8 | -43.6 | -179.4 | -174.7 | 58.9 | -146.3 | 0 | 0 | 111.8 | S27 Y31 W32 Q33 | S27-E29 PolarHBondContact O-N 2.98Å; E29-Y31 VanDerWaalsContact C-N 3.33Å; E29-Y31 PolarHBondContact O-N 3.05Å; E29-W32 PolarHBondContact O-N 3.27Å; E29-Q33 VanDerWaalsContact O-CG 3.27Å; E29-Q33 WeakPolarHBondContact O-CG 3.33Å; E29-Q33 PolarHBondContact O-N 2.92Å; E29-Q33 PolarHBondContact OE1-NE2 2.89Å |
| 30 | E | 50.2 | Low | 54.1 | Low | 96 Ų | 96 | 93 Ų | 93 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.1 | -34.4 | 178.6 | -64.6 | 177.3 | -170.9 | 0 | 0 | 111.6 | P26 S27 Q33 Q34 | P26-E30 WeakPolarHBondContact CB-OE2 3.43Å; P26-E30 WeakPolarHBondContact CD-OE2 3.41Å; P26-E30 WeakPolarHBondContact CG-OE2 3.44Å; P26-E30 VanDerWaalsContact O-CB 3.32Å; P26-E30 WeakPolarHBondContact O-CB 3.37Å; P26-E30 WeakPolarHBondContact O-CG 3.22Å; S27-E30 PolarHBondContact O-N 3.49Å; E30-Q33 PolarHBondContact O-N 3.22Å; E30-Q34 WeakPolarHBondContact O-CB 3.46Å; E30-Q34 PolarHBondContact O-N 3.29Å |
| 31 | Y | 54.7 | Low | 54.9 | Low | 51 Ų | 51 | 99.6 Ų | 99.6 | 20% | 0.2 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 174.2 | 175.7 | -99 | 0 | 0 | 0 | 112 | V16 F22 E29 Q34 T35 | V16-Y31 HydrophobicContact CG1-CE2 4.5Å; V16-Y31 WeakPolarHBondContact CG1-OH 3.38Å; F22-Y31 HydrophobicContact CE1-CG 4.25Å; F22-Y31 AromaticContact CZ-CD1 3.99Å; F22-Y31 HydrophobicContact CZ-CD1 3.99Å; F22-Y31 HydrophobicContact CZ-CD2 4.24Å; F22-Y31 HydrophobicContact CZ-CE1 4.41Å; F22-Y31 AromaticContact CZ-CG 3.9Å; F22-Y31 HydrophobicContact CZ-CG 3.9Å; E29-Y31 VanDerWaalsContact C-N 3.33Å; E29-Y31 PolarHBondContact O-N 3.05Å; Y31-Q34 PolarHBondContact O-N 3.35Å; Y31-T35 WeakPolarHBondContact O-CB 3.36Å; Y31-T35 PolarHBondContact O-N 3.22Å; Y31-T35 PolarHBondContact O-OG1 3.36Å |
| 32 | W | 56.6 | Low | 55.7 | Low | 158 Ų | 158 | 95.1 Ų | 95.1 | 60% | 0.598 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 176.7 | -174.2 | -109.6 | 0 | 0 | 0 | 111.4 | L28 E29 Q34 T35 C36 | L28-W32 PolarHBondContact O-N 3.23Å; E29-W32 PolarHBondContact O-N 3.27Å; W32-Q34 VanDerWaalsContact C-N 3.35Å; W32-Q34 PolarHBondContact O-N 3.21Å; W32-T35 PolarHBondContact O-N 3.39Å; W32-C36 PolarHBondContact O-N 2.98Å; W32-C36 PolarHBondContact O-SG 3.49Å |
| 33 | Q | 57.8 | Low | 56.3 | Low | 93 Ų | 93 | 95.8 Ų | 95.8 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 175.9 | -70.1 | 173.6 | 6.3 | 0 | 0 | 112.2 | E29 E30 T35 C36 L37 | E29-Q33 VanDerWaalsContact O-CG 3.27Å; E29-Q33 WeakPolarHBondContact O-CG 3.33Å; E29-Q33 PolarHBondContact O-N 2.92Å; E29-Q33 PolarHBondContact OE1-NE2 2.89Å; E30-Q33 PolarHBondContact O-N 3.22Å; Q33-T35 PolarHBondContact O-N 3.4Å; Q33-C36 PolarHBondContact O-N 3.14Å; Q33-L37 WeakPolarHBondContact O-CG 3.46Å; Q33-L37 PolarHBondContact O-N 3.37Å |
| 34 | Q | 60.3 | Low | 57.2 | Low | 121 Ų | 121 | 96.4 Ų | 96.4 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.9 | -40.8 | 176.3 | -162.6 | 74.1 | 22.1 | 0 | 0 | 111.9 | E30 Y31 W32 L37 E38 | E30-Q34 WeakPolarHBondContact O-CB 3.46Å; E30-Q34 PolarHBondContact O-N 3.29Å; Y31-Q34 PolarHBondContact O-N 3.35Å; W32-Q34 VanDerWaalsContact C-N 3.35Å; W32-Q34 PolarHBondContact O-N 3.21Å; Q34-L37 PolarHBondContact O-N 3.44Å; Q34-E38 WeakPolarHBondContact O-CB 3.43Å; Q34-E38 PolarHBondContact O-N 3.24Å |
| 35 | T | 64.8 | Low | 57.4 | Low | 17 Ų | 17 | 96.1 Ų | 96.1 | 10% | 0.104 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 179.1 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | L13 Y31 W32 Q33 E38 L39 | L13-T35 HydrophobicContact CD1-CG2 4.41Å; L13-T35 HydrophobicContact CD2-CG2 3.49Å; L13-T35 VanDerWaalsContact CD2-CG2 3.49Å; Y31-T35 WeakPolarHBondContact O-CB 3.36Å; Y31-T35 PolarHBondContact O-N 3.22Å; Y31-T35 PolarHBondContact O-OG1 3.36Å; W32-T35 PolarHBondContact O-N 3.39Å; Q33-T35 PolarHBondContact O-N 3.4Å; T35-E38 PolarHBondContact O-N 2.71Å; T35-L39 HydrophobicContact CG2-CD1 4.27Å; T35-L39 WeakPolarHBondContact O-CB 3.27Å; T35-L39 WeakPolarHBondContact O-CG 3.46Å; T35-L39 PolarHBondContact O-N 3.33Å |
| 36 | C | 67.9 | Low | 57.7 | Low | 44 Ų | 44 | 94.5 Ų | 94.5 | 30% | 0.297 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 173.6 | -70 | 0 | 0 | 0 | 0 | 111.8 | W32 Q33 E38 L39 E40 | W32-C36 PolarHBondContact O-N 2.98Å; W32-C36 PolarHBondContact O-SG 3.49Å; Q33-C36 PolarHBondContact O-N 3.14Å; C36-E38 VanDerWaalsContact C-N 3.33Å; C36-E38 PolarHBondContact O-N 3.2Å; C36-L39 PolarHBondContact O-N 3.42Å; C36-E40 WeakPolarHBondContact O-CG 3.1Å; C36-E40 PolarHBondContact O-N 3.32Å |
| 37 | L | 66.4 | Low | 57.7 | Low | 97 Ų | 97 | 97 Ų | 97 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 176.6 | -77.7 | 164.9 | 0 | 0 | 0 | 112.7 | Q33 Q34 E40 R41 | Q33-L37 WeakPolarHBondContact O-CG 3.46Å; Q33-L37 PolarHBondContact O-N 3.37Å; Q34-L37 PolarHBondContact O-N 3.44Å; L37-E40 PolarHBondContact O-N 2.88Å; L37-R41 WeakPolarHBondContact O-CB 2.94Å; L37-R41 PolarHBondContact O-N 3.43Å |
| 38 | E | 68.8 | Low | 57.3 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -73.1 | -35.6 | 180 | -163.4 | 142.5 | -159.2 | 0 | 0 | 112 | Q34 T35 C36 R41 Y42 | Q34-E38 WeakPolarHBondContact O-CB 3.43Å; Q34-E38 PolarHBondContact O-N 3.24Å; T35-E38 PolarHBondContact O-N 2.71Å; C36-E38 VanDerWaalsContact C-N 3.33Å; C36-E38 PolarHBondContact O-N 3.2Å; E38-R41 PolarHBondContact O-N 3.5Å; E38-Y42 WeakPolarHBondContact O-CB 3.44Å; E38-Y42 PolarHBondContact O-N 2.82Å |
| 39 | L | 62.9 | Low | 57 | Low | 64 Ų | 64 | 102.5 Ų | 102.5 | 34% | 0.335 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 169.8 | -79.6 | 164 | 0 | 0 | 0 | 112.3 | I9 L13 T35 C36 R41 Y42 L43 | I9-L39 HydrophobicContact CG2-CD2 4.28Å; L13-L39 HydrophobicContact CD1-CD1 4.14Å; T35-L39 HydrophobicContact CG2-CD1 4.27Å; T35-L39 WeakPolarHBondContact O-CB 3.27Å; T35-L39 WeakPolarHBondContact O-CG 3.46Å; T35-L39 PolarHBondContact O-N 3.33Å; C36-L39 PolarHBondContact O-N 3.42Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.09Å; L39-Y42 PolarHBondContact O-N 3.39Å; L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 2.74Å |
| 40 | E | 63.6 | Low | 56.4 | Low | 52 Ų | 52 | 103.4 Ų | 103.4 | 24% | 0.243 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 173.5 | -79.3 | 176.4 | -158.3 | 0 | 0 | 111.5 | C36 L37 Y42 L43 Q44 F56 | C36-E40 WeakPolarHBondContact O-CG 3.1Å; C36-E40 PolarHBondContact O-N 3.32Å; L37-E40 PolarHBondContact O-N 2.88Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 2.97Å; E40-L43 PolarHBondContact O-N 3.49Å; E40-Q44 WeakPolarHBondContact O-CB 3.33Å; E40-Q44 VanDerWaalsContact O-CG 3.27Å; E40-Q44 WeakPolarHBondContact O-CG 3.47Å; E40-Q44 PolarHBondContact O-N 2.92Å; E40-F56 HydrophobicContact CG-CD2 4.05Å; E40-F56 HydrophobicContact CG-CE2 3.95Å; E40-F56 WeakPolarHBondContact OE1-CD2 3.43Å |
| 41 | R | 64.2 | Low | 56.1 | Low | 192 Ų | 192 | 102.1 Ų | 102.1 | 73% | 0.725 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | 177.9 | -133.7 | 176.1 | 82.9 | 153.3 | 4.1 | 112.4 | L37 E38 L39 Q44 S45 | L37-R41 WeakPolarHBondContact O-CB 2.94Å; L37-R41 PolarHBondContact O-N 3.43Å; E38-R41 PolarHBondContact O-N 3.5Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.09Å; R41-Q44 PolarHBondContact O-N 3.36Å; R41-S45 WeakPolarHBondContact O-CB 3.46Å; R41-S45 PolarHBondContact O-N 3.41Å; R41-S45 VanDerWaalsContact O-N 3.12Å |
| 42 | Y | 60.8 | Low | 55.6 | Low | 116 Ų | 116 | 104.9 Ų | 104.9 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 175.9 | -177.7 | -104.4 | 0 | 0 | 0 | 111.1 | E38 L39 E40 Q44 S45 E46 | E38-Y42 WeakPolarHBondContact O-CB 3.44Å; E38-Y42 PolarHBondContact O-N 2.82Å; L39-Y42 PolarHBondContact O-N 3.39Å; E40-Y42 VanDerWaalsContact C-N 3.34Å; E40-Y42 PolarHBondContact O-N 2.97Å; Y42-Q44 VanDerWaalsContact C-N 3.31Å; Y42-Q44 PolarHBondContact O-N 3.43Å; Y42-S45 PolarHBondContact O-N 2.65Å; Y42-S45 PolarHBondContact O-OG 3.35Å; Y42-E46 PolarHBondContact O-N 2.97Å |
| 43 | L | 56.8 | Low | 55 | Low | 100 Ų | 100 | 104.3 Ų | 104.3 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.9 | -31.8 | 177.2 | -70 | 170.3 | 0 | 0 | 0 | 113.2 | L39 E40 S45 | L39-L43 VanDerWaalsContact O-CG 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 2.74Å; E40-L43 PolarHBondContact O-N 3.49Å; L43-S45 VanDerWaalsContact C-N 3.33Å |
| 44 | Q | 57.9 | Low | 54.5 | Low | 129 Ų | 129 | 105.6 Ų | 105.6 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -76.9 | -16.8 | 173.6 | -70.8 | 170.3 | 15.8 | 0 | 0 | 113.4 | E40 R41 Y42 | E40-Q44 WeakPolarHBondContact O-CB 3.33Å; E40-Q44 VanDerWaalsContact O-CG 3.27Å; E40-Q44 WeakPolarHBondContact O-CG 3.47Å; E40-Q44 PolarHBondContact O-N 2.92Å; R41-Q44 PolarHBondContact O-N 3.36Å; Y42-Q44 VanDerWaalsContact C-N 3.31Å; Y42-Q44 PolarHBondContact O-N 3.43Å |
| 45 | S | 52.3 | Low | 53.7 | Low | 83 Ų | 83 | 109.4 Ų | 109.4 | 58% | 0.58 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -90.4 | -15 | 179.6 | 73.9 | 0 | 0 | 0 | 0 | 114.2 | R41 Y42 L43 | R41-S45 WeakPolarHBondContact O-CB 3.46Å; R41-S45 PolarHBondContact O-N 3.41Å; R41-S45 VanDerWaalsContact O-N 3.12Å; Y42-S45 PolarHBondContact O-N 2.65Å; Y42-S45 PolarHBondContact O-OG 3.35Å; L43-S45 VanDerWaalsContact C-N 3.33Å |
| 46 | E | 46.4 | Very low | 52.8 | Low | 91 Ų | 91 | 113.4 Ų | 113.4 | 43% | 0.425 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -80.7 | 125.8 | 173.9 | -77.8 | -78.8 | 153.4 | 0 | 0 | 110.1 | Y42 Y48 | Y42-E46 PolarHBondContact O-N 2.97Å; E46-Y48 PolarHBondContact O-N 3.33Å |
| 47 | P | 46.7 | Very low | 51.6 | Low | 130 Ų | 130 | 119.5 Ų | 119.5 | 84% | 0.844 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 8.2 | -172.7 | 29.5 | -35 | 0 | 0 | 0 | 114.5 | ||
| 48 | Y | 45.6 | Very low | 50.8 | Low | 215 Ų | 215 | 121.8 Ų | 121.8 | 84% | 0.843 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 10.7 | -171.3 | -139.7 | -96.1 | 0 | 0 | 0 | 114.6 | E46 | E46-Y48 PolarHBondContact O-N 3.33Š|
| 49 | V | 42.8 | Very low | 49.6 | Very low | 80 Ų | 80 | 118.8 Ų | 118.8 | 49% | 0.485 | 62% | 0.617 | S | S | . | * | trans | -118.5 | 109.8 | 172.9 | -167.2 | 0 | 0 | 0 | 0 | 108.7 | A51 | V49-A51 PolarHBondContact O-N 3.18Š| ||
| 50 | S | 38.1 | Very low | 48.9 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 78% | 0.783 | 63% | 0.634 | S | S | * | * | trans | -63.6 | 89 | 167 | 160.7 | 0 | 0 | 0 | 0 | 108.5 | T52 | S50-T52 PolarHBondContact O-N 3.37Å; S50-T52 VanDerWaalsContact O-N 3.15Å | ||
| 51 | A | 43.1 | Very low | 47.8 | Very low | 69 Ų | 69 | 128.3 Ų | 128.3 | 57% | 0.57 | 66% | 0.66 | S | S | * | * | trans | -83.7 | 73.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V49 | V49-A51 PolarHBondContact O-N 3.18Š| ||
| 52 | T | 43.4 | Very low | 46.9 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 66% | 0.663 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -110.1 | -21.9 | 170.4 | 53.1 | 0 | 0 | 0 | 0 | 116.4 | S50 | S50-T52 PolarHBondContact O-N 3.37Å; S50-T52 VanDerWaalsContact O-N 3.15Å |
| 53 | D | 45.3 | Very low | 46.3 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 78% | 0.781 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -139.4 | 52.8 | -170.8 | -61.8 | -66.4 | 0 | 0 | 0 | 114.8 | ||
| 54 | I | 47.3 | Very low | 45.6 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | trans | -127.4 | 88.8 | 160.9 | -44.4 | 179.2 | 0 | 0 | 0 | 109.1 | F56 | I54-F56 HydrophobicContact CB-CE2 4.28Å; I54-F56 HydrophobicContact CG2-CD1 4.26Å; I54-F56 HydrophobicContact CG2-CD2 3.64Å; I54-F56 HydrophobicContact CG2-CE1 3.85Å; I54-F56 HydrophobicContact CG2-CE2 3.16Å; I54-F56 HydrophobicContact CG2-CG 4.21Å; I54-F56 HydrophobicContact CG2-CZ 3.3Å | ||
| 55 | K | 43.8 | Very low | 44.9 | Very low | 202 Ų | 202 | 121.6 Ų | 121.6 | 88% | 0.878 | 64% | 0.642 | S | S | * | * | trans | -97.4 | 116.2 | 160.6 | -79.4 | -178.9 | 177.7 | 177.1 | 0 | 107.7 | E57 | K55-E57 PolarHBondContact O-N 3.39Š| ||
| 56 | F | 44.3 | Very low | 44.7 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 44% | 0.439 | 64% | 0.64 | S | S | . | * | trans | -86.1 | 105.7 | 173.9 | -68 | -78.8 | 0 | 0 | 0 | 108.7 | E40 I54 L63 | E40-F56 HydrophobicContact CG-CD2 4.05Å; E40-F56 HydrophobicContact CG-CE2 3.95Å; E40-F56 WeakPolarHBondContact OE1-CD2 3.43Å; I54-F56 HydrophobicContact CB-CE2 4.28Å; I54-F56 HydrophobicContact CG2-CD1 4.26Å; I54-F56 HydrophobicContact CG2-CD2 3.64Å; I54-F56 HydrophobicContact CG2-CE1 3.85Å; I54-F56 HydrophobicContact CG2-CE2 3.16Å; I54-F56 HydrophobicContact CG2-CG 4.21Å; I54-F56 HydrophobicContact CG2-CZ 3.3Å; F56-L63 HydrophobicContact CD1-CD2 3.43Å; F56-L63 VanDerWaalsContact CD1-CD2 3.43Å; F56-L63 HydrophobicContact CE1-CD2 3.92Å | ||
| 57 | E | 43.8 | Very low | 44.6 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 80% | 0.804 | 65% | 0.648 | S | S | * | * | trans | -86.8 | 134 | 166.4 | -81.5 | -178.8 | 173.5 | 0 | 0 | 109.7 | K55 S59 | K55-E57 PolarHBondContact O-N 3.39Å; E57-S59 VanDerWaalsContact C-N 3.34Å; E57-S59 PolarHBondContact O-N 2.87Å | ||
| 58 | T | 49.5 | Very low | 44.6 | Very low | 145 Ų | 145 | 124 Ų | 124 | 89% | 0.89 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -67.4 | 79.2 | -172.5 | 48 | 0 | 0 | 0 | 0 | 112.1 | ||
| 59 | S | 43.4 | Very low | 44.4 | Very low | 69 Ų | 69 | 119.2 Ų | 119.2 | 48% | 0.483 | 62% | 0.624 | S | S | . | * | trans | -140.4 | 113.9 | 161.1 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | E57 E61 D62 | E57-S59 VanDerWaalsContact C-N 3.34Å; E57-S59 PolarHBondContact O-N 2.87Å; S59-E61 PolarHBondContact O-N 3.37Å; S59-D62 PolarHBondContact O-N 3.49Å | ||
| 60 | Q | 47.6 | Very low | 44.3 | Very low | 145 Ų | 145 | 119 Ų | 119 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -17.7 | -168.4 | -161 | 173.2 | 11.7 | 0 | 0 | 114 | ||
| 61 | E | 41.6 | Very low | 44.3 | Very low | 171 Ų | 171 | 118.5 Ų | 118.5 | 80% | 0.799 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -16 | -176.3 | -60.4 | -163.7 | 156.9 | 0 | 0 | 114.2 | S59 | S59-E61 PolarHBondContact O-N 3.37Š|
| 62 | D | 44.4 | Very low | 44.1 | Very low | 76 Ų | 76 | 117.5 Ų | 117.5 | 41% | 0.406 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -95.5 | -16.3 | -175.3 | -157 | 33.9 | 0 | 0 | 0 | 113 | S59 K66 | S59-D62 PolarHBondContact O-N 3.49Å; D62-K66 WeakPolarHBondContact O-CB 3.47Å; D62-K66 WeakPolarHBondContact O-CG 3.5Å; D62-K66 PolarHBondContact O-N 3.13Å; D62-K66 VanDerWaalsContact O-N 3.17Å; D62-K66 WeakPolarHBondContact OD2-CE 3.49Å; D62-K66 IonicContact OD2-NZ 2.65Å; D62-K66 PolarHBondContact OD2-NZ 3.48Å |
| 63 | L | 47.8 | Very low | 43.7 | Very low | 68 Ų | 68 | 119.1 Ų | 119.1 | 36% | 0.356 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73.9 | -44.1 | -177.3 | -65.3 | 177.2 | 0 | 0 | 0 | 113.1 | F56 S65 K66 L67 | F56-L63 HydrophobicContact CD1-CD2 3.43Å; F56-L63 VanDerWaalsContact CD1-CD2 3.43Å; F56-L63 HydrophobicContact CE1-CD2 3.92Å; L63-S65 VanDerWaalsContact C-N 3.31Å; L63-S65 PolarHBondContact O-N 2.98Å; L63-K66 PolarHBondContact O-N 2.91Å; L63-L67 WeakPolarHBondContact O-CB 3.26Å; L63-L67 PolarHBondContact O-N 3.49Å |
| 64 | W | 42.8 | Very low | 43.4 | Very low | 190 Ų | 190 | 121.6 Ų | 121.6 | 72% | 0.72 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.6 | -37.5 | 178.4 | -79.6 | 96.4 | 0 | 0 | 0 | 111.7 | L67 I68 | W64-L67 PolarHBondContact O-N 3.22Å; W64-I68 WeakPolarHBondContact O-CB 3.18Å; W64-I68 WeakPolarHBondContact O-CD1 3.39Å; W64-I68 WeakPolarHBondContact O-CG1 3.24Å; W64-I68 PolarHBondContact O-N 3.03Å; W64-I68 VanDerWaalsContact O-N 3.11Å |
| 65 | S | 43.8 | Very low | 42.9 | Very low | 62 Ų | 62 | 120 Ų | 120 | 43% | 0.434 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66.9 | -43.3 | 177.8 | -57 | 0 | 0 | 0 | 0 | 111.9 | L63 I68 L69 | L63-S65 VanDerWaalsContact C-N 3.31Å; L63-S65 PolarHBondContact O-N 2.98Å; S65-I68 PolarHBondContact O-N 3.13Å; S65-L69 PolarHBondContact O-N 2.95Å; S65-L69 VanDerWaalsContact O-N 3.07Å |
| 66 | K | 46.5 | Very low | 42.7 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 54% | 0.543 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.6 | -34 | 177.1 | -74.9 | 171.6 | 173.2 | 167.4 | 0 | 113.1 | D62 L63 A70 | D62-K66 WeakPolarHBondContact O-CB 3.47Å; D62-K66 WeakPolarHBondContact O-CG 3.5Å; D62-K66 PolarHBondContact O-N 3.13Å; D62-K66 VanDerWaalsContact O-N 3.17Å; D62-K66 WeakPolarHBondContact OD2-CE 3.49Å; D62-K66 IonicContact OD2-NZ 2.65Å; D62-K66 PolarHBondContact OD2-NZ 3.48Å; L63-K66 PolarHBondContact O-N 2.91Å; K66-A70 WeakPolarHBondContact O-CB 3.45Å; K66-A70 PolarHBondContact O-N 2.83Å; K66-A70 VanDerWaalsContact O-N 3.09Å |
| 67 | L | 45.5 | Very low | 42.1 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 60% | 0.597 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.4 | -36.6 | 175.1 | -131.8 | 93.2 | 0 | 0 | 0 | 112.5 | L63 W64 C71 | L63-L67 WeakPolarHBondContact O-CB 3.26Å; L63-L67 PolarHBondContact O-N 3.49Å; W64-L67 PolarHBondContact O-N 3.22Å; L67-C71 PolarHBondContact O-N 3.21Å; L67-C71 PolarHBondContact O-SG 2.82Å |
| 68 | I | 46.9 | Very low | 41.5 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 60% | 0.595 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.3 | -42.7 | 177.9 | -69.6 | 168.8 | 0 | 0 | 0 | 110.8 | W64 S65 C71 G72 | W64-I68 WeakPolarHBondContact O-CB 3.18Å; W64-I68 WeakPolarHBondContact O-CD1 3.39Å; W64-I68 WeakPolarHBondContact O-CG1 3.24Å; W64-I68 PolarHBondContact O-N 3.03Å; W64-I68 VanDerWaalsContact O-N 3.11Å; S65-I68 PolarHBondContact O-N 3.13Å; I68-C71 PolarHBondContact O-N 3.24Å; I68-G72 PolarHBondContact O-N 3.48Å |
| 69 | L | 41 | Very low | 41.3 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 60% | 0.597 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.4 | -41 | 177.2 | -83.3 | 157.2 | 0 | 0 | 0 | 112.7 | S65 C71 G72 D73 | S65-L69 PolarHBondContact O-N 2.95Å; S65-L69 VanDerWaalsContact O-N 3.07Å; L69-C71 PolarHBondContact O-N 3.28Å; L69-C71 VanDerWaalsContact O-N 3.17Å; L69-G72 PolarHBondContact O-N 3.14Å; L69-D73 PolarHBondContact O-N 2.86Å |
| 70 | A | 40.7 | Very low | 40.5 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -63.9 | -20.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | K66 | K66-A70 WeakPolarHBondContact O-CB 3.45Å; K66-A70 PolarHBondContact O-N 2.83Å; K66-A70 VanDerWaalsContact O-N 3.09Å |
| 71 | C | 38 | Very low | 39.5 | Very low | 102 Ų | 102 | 125 Ų | 125 | 69% | 0.689 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -87.1 | -17.6 | 172 | -69.5 | 0 | 0 | 0 | 0 | 113.4 | L67 I68 L69 | L67-C71 PolarHBondContact O-N 3.21Å; L67-C71 PolarHBondContact O-SG 2.82Å; I68-C71 PolarHBondContact O-N 3.24Å; L69-C71 PolarHBondContact O-N 3.28Å; L69-C71 VanDerWaalsContact O-N 3.17Å |
| 72 | G | 38.8 | Very low | 38.8 | Very low | 48 Ų | 48 | 124.5 Ų | 124.5 | 50% | 0.495 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -81.7 | -33 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | I68 L69 K74 | I68-G72 PolarHBondContact O-N 3.48Å; L69-G72 PolarHBondContact O-N 3.14Å; G72-K74 VanDerWaalsContact C-N 3.32Å; G72-K74 PolarHBondContact O-N 3.24Å |
| 73 | D | 35.8 | Very low | 37.9 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 9.4 | -172.8 | -65.5 | -33.1 | 0 | 0 | 0 | 114.6 | L69 | L69-D73 PolarHBondContact O-N 2.86Š|
| 74 | K | 38.3 | Very low | 37 | Very low | 199 Ų | 199 | 130.8 Ų | 130.8 | 87% | 0.865 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 18.3 | 176.3 | -117.5 | -178.7 | -174 | 176 | 0 | 114.1 | G72 | G72-K74 VanDerWaalsContact C-N 3.32Å; G72-K74 PolarHBondContact O-N 3.24Å |
| 75 | A | 36.8 | Very low | 36.3 | Very low | 85 Ų | 85 | 130.1 Ų | 130.1 | 70% | 0.702 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -120.9 | 35.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 76 | E | 39.7 | Very low | 35.4 | Very low | 190 Ų | 190 | 135.6 Ų | 135.6 | 89% | 0.888 | 73% | 0.729 | S | S | * | * | trans | -155.4 | 90.2 | 165.4 | -117.7 | 168.7 | -166.4 | 0 | 0 | 111.7 | ||||
| 77 | S | 32.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -165.6 | 88.4 | 153.3 | 32.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 78 | D | 30.5 | Very low | 34 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | trans | -27.5 | 176.5 | 164.1 | -86.1 | -30 | 0 | 0 | 0 | 120.7 | ||||
| 79 | P | 44.8 | Very low | 33 | Very low | 103 Ų | 103 | 143 Ų | 143 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | cis | -141.7 | 178.8 | -22 | 33.4 | -12.2 | 0 | 0 | 0 | 116.2 | ||||
| 80 | K | 26 | Very low | 32.6 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 70.6 | 103.1 | 154.1 | -81.3 | 171.8 | 179.1 | 171 | 0 | 119.8 | ||||
| 81 | I | 27.8 | Very low | 32 | Very low | 174 Ų | 174 | 149.7 Ų | 149.7 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | -141.7 | 115.7 | 115.7 | -57.1 | -173.6 | 0 | 0 | 0 | 108.3 | |||||
| 82 | H | 26.1 | Very low | 31.4 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | trans | -90 | 134.9 | 174.7 | -165.7 | -64.5 | 0 | 0 | 0 | 109.3 | ||||
| 83 | T | 26.2 | Very low | 30.7 | Very low | 109 Ų | 109 | 155.7 Ų | 155.7 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | 135.6 | 121.4 | 137.5 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 84 | H | 28.2 | Very low | 30.5 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 71.1 | 89.7 | 150.2 | -79.9 | -70.5 | 0 | 0 | 0 | 119.7 | ||||
| 85 | I | 28.1 | Very low | 29.9 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -133.2 | 129.5 | 131 | -58.7 | -176.9 | 0 | 0 | 0 | 108.1 | ||||
| 86 | K | 25.2 | Very low | 29.4 | Very low | 178 Ų | 178 | 156.2 Ų | 156.2 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | -59.2 | 140.6 | -173.9 | -69.3 | 170 | 172.1 | 178.1 | 0 | 112.3 | E88 | K86-E88 PolarHBondContact O-N 3.34Š| ||
| 87 | E | 34.9 | Very low | 28.6 | Very low | 189 Ų | 189 | 154 Ų | 154 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -48.5 | 123.5 | 155.2 | -61.5 | 163.7 | 142.4 | 0 | 0 | 109.5 | ||||
| 88 | E | 28 | Very low | 28.4 | Very low | 180 Ų | 180 | 152.5 Ų | 152.5 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -148.6 | 110.7 | 146.6 | -68.7 | -166.2 | 164 | 0 | 0 | 109.4 | K86 | K86-E88 PolarHBondContact O-N 3.34Š| ||
| 89 | D | 26.9 | Very low | 28.1 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | 68.5 | 80.7 | 146.8 | -57.8 | -20.2 | 0 | 0 | 0 | 121.2 | ||||
| 90 | N | 31.6 | Very low | 27.2 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -76.6 | 98.4 | 139.1 | -172.5 | 22.3 | 0 | 0 | 0 | 109.6 | ||||
| 91 | Q | 27.8 | Very low | 27.3 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -152.3 | 98.5 | 161 | -108.7 | 159.6 | 17.7 | 0 | 0 | 110 | ||||
| 92 | E | 25.2 | Very low | 27.3 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -152.8 | 82.6 | 135.2 | -128.1 | 173.4 | -179.5 | 0 | 0 | 109.2 | ||||
| 93 | A | 25.5 | Very low | 27.2 | Very low | 86 Ų | 86 | 144.7 Ų | 144.7 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -63.8 | 138.8 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 94 | N | 30.9 | Very low | 27.2 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 31.9 | 93.8 | 147.2 | -76.4 | -19 | 0 | 0 | 0 | 117.6 | ||||
| 95 | S | 25.9 | Very low | 27 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | -152.5 | 111.5 | 135.6 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 96 | F | 25 | Very low | 26.8 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -145.8 | 68.3 | 157.1 | -144.9 | -94.2 | 0 | 0 | 0 | 109.3 | ||||
| 97 | N | 24.8 | Very low | 26.7 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -84.7 | 128.4 | 144.5 | -84.7 | -30.7 | 0 | 0 | 0 | 107.7 | ||||
| 98 | S | 27.8 | Very low | 26.4 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | 17.9 | 115.2 | 150.5 | 51.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 99 | D | 23.5 | Very low | 26.5 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | trans | -139.8 | 130.1 | 139.1 | -97.3 | -35.3 | 0 | 0 | 0 | 113.6 | ||||
| 100 | A | 26.5 | Very low | 26.5 | Very low | 51 Ų | 51 | 134 Ų | 134 | 42% | 0.421 | 77% | 0.77 | S | S | . | * | trans | -106.8 | 131.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 101 | S | 27.1 | Very low | 26.3 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | 53.1 | 101.3 | 146.8 | -61.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 102 | S | 28.2 | Very low | 26.2 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | 27.5 | 111.9 | 121.8 | 59.3 | 0 | 0 | 0 | 0 | 119 | |||||
| 103 | E | 23.8 | Very low | 27.1 | Very low | 198 Ų | 198 | 126.9 Ų | 126.9 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | 31.8 | 117 | 128.6 | -56.1 | -170.5 | 145.9 | 0 | 0 | 119.9 | |||||
| 104 | A | 25.6 | Very low | 27.8 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | trans | -156.2 | 133.3 | 135.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 105 | S | 25.7 | Very low | 27.6 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -60.4 | 150.4 | 177.7 | -25.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 106 | D | 22.3 | Very low | 27.5 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | -176.4 | 169.1 | 116.7 | -150.9 | -2.9 | 0 | 0 | 0 | 111.6 | |||||
| 107 | S | 24 | Very low | 27.5 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -104.6 | 172.8 | -149 | -33.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 108 | S | 28.9 | Very low | 27.4 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | 111.4 | 108.1 | 152.6 | -56.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 109 | E | 28.7 | Very low | 27.5 | Very low | 176 Ų | 176 | 129.9 Ų | 129.9 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | 33.9 | 134.5 | 122.1 | -68.6 | 176.7 | 123.7 | 0 | 0 | 118.5 | |||||
| 110 | E | 27.3 | Very low | 27.8 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | cis | -164.1 | 158.3 | 41.7 | -91.9 | -141.7 | 133 | 0 | 0 | 113.5 | ||||
| 111 | L | 26.9 | Very low | 28.1 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 29.9 | 121.8 | 148 | -73.3 | 113.8 | 0 | 0 | 0 | 124.5 | ||||
| 112 | S | 26.2 | Very low | 27.9 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -74.6 | -175.9 | 156.8 | -78.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 113 | P | 43.7 | Very low | 27.9 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | cis | -140.7 | -135.6 | -40.4 | 41.2 | -20.5 | 0 | 0 | 0 | 109.1 | ||||
| 114 | P | 41.6 | Very low | 27.9 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | cis | -130.7 | 177.4 | -32.1 | 35.7 | -18.9 | 0 | 0 | 0 | 113 | ||||
| 115 | L | 26.5 | Very low | 28 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | trans | -151.2 | 130.3 | 139.7 | -78.5 | -171.7 | 0 | 0 | 0 | 112 | ||||
| 116 | D | 23.3 | Very low | 28 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | trans | -61.4 | 151.7 | 172.5 | -74.5 | -56.3 | 0 | 0 | 0 | 113.9 | ||||
| 117 | F | 24.2 | Very low | 28.1 | Very low | 190 Ų | 190 | 133.9 Ų | 133.9 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | -179 | 150.9 | 102.7 | -116.2 | -94.7 | 0 | 0 | 0 | 112.7 | |||||
| 118 | T | 23.7 | Very low | 28.2 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -60.5 | 158.4 | -175.6 | 58.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 119 | S | 28.7 | Very low | 27.9 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | 166.8 | 119 | 117.3 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 120 | N | 29.8 | Very low | 27.9 | Very low | 160 Ų | 160 | 138.8 Ų | 138.8 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 155.7 | 147 | -86.7 | -22.3 | 0 | 0 | 0 | 107.7 | ||||
| 121 | P | 33.8 | Very low | 27.8 | Very low | 126 Ų | 126 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | -151 | 162.9 | 86.4 | 35.5 | -14.7 | 0 | 0 | 0 | 117.4 | |||||
| 122 | L | 23.7 | Very low | 27.7 | Very low | 152 Ų | 152 | 138 Ų | 138 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -55.9 | 155.5 | 160.5 | -87.1 | 115 | 0 | 0 | 0 | 114.1 | ||||
| 123 | S | 27.6 | Very low | 27.6 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -165.5 | 126.7 | 130.4 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 124 | D | 24.1 | Very low | 26.9 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | -66.2 | 166.9 | 161.4 | -67.2 | -55.7 | 0 | 0 | 0 | 112.9 | ||||
| 125 | I | 27.3 | Very low | 26.1 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | 173.8 | 116.8 | 123.7 | -83.2 | 155.8 | 0 | 0 | 0 | 112.4 | |||||
| 126 | M | 25.1 | Very low | 26.2 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | 27.7 | 140.7 | 139 | -47.5 | -173.5 | -58.3 | 0 | 0 | 124.4 | ||||
| 127 | G | 24.5 | Very low | 26.2 | Very low | 65 Ų | 65 | 141.2 Ų | 141.2 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | 135.1 | 100.6 | 117.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 128 | E | 25.7 | Very low | 26.3 | Very low | 195 Ų | 195 | 137.7 Ų | 137.7 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | 61.2 | 124.1 | 131.1 | -31.3 | -150.2 | 173.5 | 0 | 0 | 120.8 | ||||
| 129 | G | 24.3 | Very low | 26.4 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | 80.5 | 129 | 104.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 130 | E | 27.8 | Very low | 26.4 | Very low | 208 Ų | 208 | 139 Ų | 139 | 97% | 0.972 | 81% | 0.811 | S | S | * | * | -171.6 | -160.4 | 52.1 | -48 | -174.2 | 178.7 | 0 | 0 | 109 | |||||
| 131 | D | 25.3 | Very low | 26.3 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -110.8 | 165.6 | -133.4 | -136.3 | -16.8 | 0 | 0 | 0 | 117.5 | ||||
| 132 | L | 25.4 | Very low | 25.9 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | 66.9 | 116.5 | 151 | -62.4 | 176.8 | 0 | 0 | 0 | 125.2 | ||||
| 133 | S | 24 | Very low | 25.9 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | 87.2 | 115.4 | 126.3 | -152.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 134 | S | 28.5 | Very low | 26 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | -166.8 | 135.6 | 126.1 | 39.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 135 | M | 24.6 | Very low | 26.1 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -70.1 | 141.7 | 177.1 | -68.2 | 145.5 | 158.6 | 0 | 0 | 111.9 | ||||
| 136 | V | 28.3 | Very low | 26.1 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -137.8 | 121.5 | 146.7 | -82.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 137 | I | 23.7 | Very low | 26.1 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -76.6 | 131.6 | 173.1 | -65.7 | 165.3 | 0 | 0 | 0 | 108 | ||||
| 138 | S | 26.3 | Very low | 26.3 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -165.6 | 126 | 136.8 | -82.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 139 | T | 26.5 | Very low | 26.2 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 146.7 | 176.1 | 28.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 140 | P | 27.7 | Very low | 26.3 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 147.5 | 171.9 | 32.1 | -32.3 | 0 | 0 | 0 | 112 | ||
| 141 | P | 28.5 | Very low | 26.2 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 141.7 | 171.3 | 32.7 | -29.9 | 0 | 0 | 0 | 112.3 | ||
| 142 | S | 24.4 | Very low | 26.2 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -29.4 | 144.5 | 166.6 | 44.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 143 | S | 25.3 | Very low | 26.5 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -40.5 | 162.1 | 162.9 | -52.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 144 | P | 29.2 | Very low | 26.8 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | -122.8 | 131.3 | 120 | 33.4 | -26.3 | 0 | 0 | 0 | 112 | V146 | P144-V146 PolarHBondContact O-N 2.94Š| |||
| 145 | E | 25.6 | Very low | 26.8 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -59.7 | 124.5 | 163.9 | -74.6 | 169 | 110.3 | 0 | 0 | 110.4 | ||||
| 146 | V | 26.5 | Very low | 27 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -136.1 | 108.9 | 147.7 | 173.3 | 0 | 0 | 0 | 0 | 108.1 | P144 | P144-V146 PolarHBondContact O-N 2.94Š| ||
| 147 | N | 25.9 | Very low | 27.2 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -51.7 | 132.9 | 168.2 | -54.1 | -51.1 | 0 | 0 | 0 | 111 | ||||
| 148 | K | 28.4 | Very low | 27.6 | Very low | 199 Ų | 199 | 128.6 Ų | 128.6 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | -168.6 | 103.1 | 147.9 | -100.4 | 157.3 | -155.7 | -173.4 | 0 | 109.9 | ||||
| 149 | E | 24.7 | Very low | 27.7 | Very low | 194 Ų | 194 | 127.9 Ų | 127.9 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | trans | -13.8 | 123.6 | 163.8 | -61.5 | 169.8 | 145.1 | 0 | 0 | 116.8 | ||||
| 150 | A | 26 | Very low | 27.8 | Very low | 92 Ų | 92 | 124.8 Ų | 124.8 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | trans | -78.8 | 134.4 | 160 | 0 | 0 | 0 | 0 | 0 | 109.3 | S152 | A150-S152 PolarHBondContact O-N 3.25Š| ||
| 151 | P | 26 | Very low | 28 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 74% | 0.74 | 73% | 0.726 | S | S | * | * | trans | -74.2 | 115.7 | 174.7 | 28.1 | -29.3 | 0 | 0 | 0 | 109.3 | I153 | P151-I153 WeakPolarHBondContact O-CG1 3.46Å; P151-I153 PolarHBondContact O-N 3.36Å; P151-I153 VanDerWaalsContact O-N 3.11Å | ||
| 152 | S | 24.7 | Very low | 28 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | trans | -57.2 | 106.9 | 163.9 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | A150 S154 | A150-S152 PolarHBondContact O-N 3.25Å; S152-S154 PolarHBondContact O-N 2.85Å; S152-S154 PolarHBondContact OG-OG 3.4Å | ||
| 153 | I | 31.6 | Very low | 28.3 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | trans | -92.1 | 52.7 | 173.9 | -39.9 | 178 | 0 | 0 | 0 | 108.4 | P151 Q156 | P151-I153 WeakPolarHBondContact O-CG1 3.46Å; P151-I153 PolarHBondContact O-N 3.36Å; P151-I153 VanDerWaalsContact O-N 3.11Å; I153-Q156 HydrophobicContact CG2-CB 4.41Å | ||
| 154 | S | 29.6 | Very low | 28.6 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -96.1 | -4.7 | 177.3 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | S152 | S152-S154 PolarHBondContact O-N 2.85Å; S152-S154 PolarHBondContact OG-OG 3.4Å |
| 155 | S | 30.1 | Very low | 28.3 | Very low | 95 Ų | 95 | 126.7 Ų | 126.7 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -122.9 | -7.6 | -169 | -36.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 156 | Q | 28.7 | Very low | 28.4 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 67% | 0.673 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -92.5 | -9.3 | -171.5 | -76.4 | 177.3 | -13.6 | 0 | 0 | 115.2 | I153 | I153-Q156 HydrophobicContact CG2-CB 4.41Š|
| 157 | V | 32.5 | Very low | 28.4 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 62% | 0.618 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -28.8 | -174.4 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | I161 | V157-I161 HydrophobicContact CG1-CD1 3.97Å; V157-I161 WeakPolarHBondContact O-CD1 3.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.32Å |
| 158 | W | 30.8 | Very low | 28.8 | Very low | 185 Ų | 185 | 125.3 Ų | 125.3 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -28.1 | -177.6 | -142.4 | -6.3 | 0 | 0 | 0 | 114.1 | G160 | W158-G160 VanDerWaalsContact C-N 3.29Å; W158-G160 PolarHBondContact O-N 3.36Å |
| 159 | S | 29 | Very low | 28.8 | Very low | 101 Ų | 101 | 119.3 Ų | 119.3 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -23.6 | 175.9 | -108.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 160 | G | 28.3 | Very low | 29 | Very low | 63 Ų | 63 | 119.9 Ų | 119.9 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -8.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | W158 | W158-G160 VanDerWaalsContact C-N 3.29Å; W158-G160 PolarHBondContact O-N 3.36Å |
| 161 | I | 33 | Very low | 29.3 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 54% | 0.544 | 71% | 0.707 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.7 | -14.2 | -171.7 | -59.8 | 175.4 | 0 | 0 | 0 | 112 | V157 T163 | V157-I161 HydrophobicContact CG1-CD1 3.97Å; V157-I161 WeakPolarHBondContact O-CD1 3.3Å; V157-I161 WeakPolarHBondContact O-CG1 3.32Å; I161-T163 PolarHBondContact O-N 3.26Å |
| 162 | Q | 28.3 | Very low | 29.4 | Very low | 125 Ų | 125 | 129 Ų | 129 | 58% | 0.584 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -72.7 | -13.2 | -175 | -81.2 | -174.5 | -47.2 | 0 | 0 | 116.1 | V164 | Q162-V164 PolarHBondContact O-N 2.87Š|
| 163 | T | 29.8 | Very low | 29.7 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -92 | 14.3 | -172.7 | -24.7 | 0 | 0 | 0 | 0 | 116.6 | I161 | I161-T163 PolarHBondContact O-N 3.26Š|
| 164 | V | 31.4 | Very low | 30 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -140.7 | 43.1 | 178 | -152.3 | 0 | 0 | 0 | 0 | 113.5 | Q162 H166 | Q162-V164 PolarHBondContact O-N 2.87Å; V164-H166 VanDerWaalsContact C-N 3.25Å; V164-H166 WeakPolarHBondContact CG1-ND1 3.41Å; V164-H166 PolarHBondContact O-N 3.34Å |
| 165 | M | 24.3 | Very low | 30 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | trans | -81.6 | 78.2 | 156.3 | -69.5 | -105.7 | -104.7 | 0 | 0 | 108.1 | ||||
| 166 | H | 26.2 | Very low | 30.5 | Very low | 163 Ų | 163 | 132 Ų | 132 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -71.1 | 131.7 | 167.5 | -77.4 | 80.2 | 0 | 0 | 0 | 109.3 | V164 | V164-H166 VanDerWaalsContact C-N 3.25Å; V164-H166 WeakPolarHBondContact CG1-ND1 3.41Å; V164-H166 PolarHBondContact O-N 3.34Å | ||
| 167 | S | 27.8 | Very low | 30.7 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -45.4 | 152.5 | 177.7 | -45.6 | 0 | 0 | 0 | 0 | 114.2 | G169 | S167-G169 PolarHBondContact O-N 2.83Š| ||
| 168 | P | 33.3 | Very low | 31 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 132 | 175.3 | 21.6 | -30.9 | 0 | 0 | 0 | 111.2 | K170 | P168-K170 PolarHBondContact O-N 3.14Š|
| 169 | G | 28.7 | Very low | 31.2 | Very low | 74 Ų | 74 | 129.3 Ų | 129.3 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 119.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S167 I171 | S167-G169 PolarHBondContact O-N 2.83Å; G169-I171 PolarHBondContact O-N 3.13Å |
| 170 | K | 30.1 | Very low | 31.6 | Very low | 205 Ų | 205 | 131.6 Ų | 131.6 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 120.3 | 169.5 | -138.2 | 164.4 | -172.8 | 168.9 | 0 | 108.8 | P168 R172 | P168-K170 PolarHBondContact O-N 3.14Å; K170-R172 PolarHBondContact O-N 3.11Å |
| 171 | I | 31.1 | Very low | 32 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 118.8 | 169.7 | -56.8 | 169.2 | 0 | 0 | 0 | 107.2 | G169 T173 | G169-I171 PolarHBondContact O-N 3.13Å; I171-T173 PolarHBondContact O-N 3.2Å; I171-T173 VanDerWaalsContact O-N 3.13Å |
| 172 | R | 27.5 | Very low | 31.9 | Very low | 246 Ų | 246 | 138.4 Ų | 138.4 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | trans | -77.6 | 92.8 | 173.7 | -84.6 | 175.3 | 70.9 | 164.6 | -0.2 | 108.5 | K170 | K170-R172 PolarHBondContact O-N 3.11Š| ||
| 173 | T | 31.1 | Very low | 32.5 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 76% | 0.761 | 81% | 0.814 | S | S | * | * | trans | -83.4 | 137.6 | 152.9 | 48.9 | 0 | 0 | 0 | 0 | 108.4 | I171 | I171-T173 PolarHBondContact O-N 3.2Å; I171-T173 VanDerWaalsContact O-N 3.13Å | ||
| 174 | G | 38.8 | Very low | 32.6 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -60.6 | 138.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 175 | G | 28.6 | Very low | 32.8 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -161.6 | 112.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | G177 | G175-G177 PolarHBondContact O-N 3.21Š| ||
| 176 | I | 41.9 | Very low | 33.4 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 98% | 0.979 | 82% | 0.819 | S | S | * | * | trans | -71.5 | 118.4 | 174.1 | -15.8 | 174 | 0 | 0 | 0 | 106.7 | ||||
| 177 | G | 31.5 | Very low | 33.7 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | trans | 176 | 112.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G175 | G175-G177 PolarHBondContact O-N 3.21Š| ||
| 178 | G | 39.6 | Very low | 34.3 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | trans | -58.7 | 143.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 179 | R | 34.9 | Very low | 34.7 | Very low | 228 Ų | 228 | 137 Ų | 137 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -113.5 | 108.2 | 168.6 | -89.3 | -175 | -89.1 | -178.7 | -6.9 | 109 | V181 | R179-V181 HydrophobicContact CB-CG2 4.37Š| ||
| 180 | T | 36.5 | Very low | 35.1 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 91% | 0.908 | 83% | 0.826 | S | S | * | * | trans | -66 | 122 | 151.5 | 41.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 181 | V | 37.9 | Very low | 35.9 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | -111.9 | 124.3 | 172.9 | -178.2 | 0 | 0 | 0 | 0 | 107 | R179 | R179-V181 HydrophobicContact CB-CG2 4.37Š| ||
| 182 | E | 31.6 | Very low | 36.9 | Very low | 189 Ų | 189 | 133.3 Ų | 133.3 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -61.3 | 136.6 | 175.1 | -66.7 | -172.3 | 134.8 | 0 | 0 | 110.9 | G184 | E182-G184 PolarHBondContact O-N 3.39Š| ||
| 183 | R | 39.9 | Very low | 38.2 | Very low | 232 Ų | 232 | 127.9 Ų | 127.9 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -80 | 97.5 | -172.9 | -177.4 | -178.6 | -69 | 172.9 | -1.8 | 109.9 | ||||
| 184 | G | 31.4 | Very low | 39.7 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -78.9 | 118.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | E182 | E182-G184 PolarHBondContact O-N 3.39Š| ||
| 185 | S | 36.6 | Very low | 40.8 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -85.4 | 134.4 | -172.7 | -73.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 186 | L | 36.9 | Very low | 42.5 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | 68.8 | 110.8 | 142.6 | -61.7 | 167.1 | 0 | 0 | 0 | 120.8 | ||||
| 187 | A | 32.4 | Very low | 43.9 | Very low | 98 Ų | 98 | 134 Ų | 134 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | -147.7 | 104.2 | 122.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 188 | N | 40.8 | Very low | 46.2 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | 43 | 97 | 150.3 | -55.6 | -18 | 0 | 0 | 0 | 119.5 | ||||
| 189 | G | 40.9 | Very low | 48.4 | Very low | 66 Ų | 66 | 140.3 Ų | 140.3 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | trans | -166.3 | 98.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | A191 | G189-A191 PolarHBondContact O-N 3.47Š| ||
| 190 | E | 37.5 | Very low | 50.9 | Low | 192 Ų | 192 | 131.9 Ų | 131.9 | 90% | 0.897 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 116.9 | 174.8 | -63.2 | -179.2 | 140.9 | 0 | 0 | 108.6 | S192 | E190-S192 PolarHBondContact O-N 3.23Š|
| 191 | A | 45.8 | Very low | 53.6 | Low | 94 Ų | 94 | 131.1 Ų | 131.1 | 78% | 0.777 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 125.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | G189 | G189-A191 PolarHBondContact O-N 3.47Š|
| 192 | S | 52.4 | Low | 56.1 | Low | 67 Ų | 67 | 125.4 Ų | 125.4 | 47% | 0.469 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 131.8 | 169.5 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | E190 D194 G195 | E190-S192 PolarHBondContact O-N 3.23Å; S192-D194 PolarHBondContact O-N 2.88Å; S192-G195 PolarHBondContact O-N 3.41Å |
| 193 | P | 55.1 | Low | 58.8 | Low | 131 Ų | 131 | 124.1 Ų | 124.1 | 85% | 0.851 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -19.8 | -174.4 | 18.2 | -29.2 | 0 | 0 | 0 | 113.9 | ||
| 194 | D | 62.3 | Low | 61.2 | Low | 130 Ų | 130 | 118.3 Ų | 118.3 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 2.5 | 179.3 | -77 | -18.4 | 0 | 0 | 0 | 115.2 | S192 R196 | S192-D194 PolarHBondContact O-N 2.88Å; D194-R196 PolarHBondContact O-N 3.33Å |
| 195 | G | 61.9 | Low | 63.9 | Low | 67 Ų | 67 | 121.7 Ų | 121.7 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | trans | 65.4 | 2.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S192 R197 | S192-G195 PolarHBondContact O-N 3.41Å; G195-R197 PolarHBondContact O-N 3.13Å | ||
| 196 | R | 65.5 | Low | 66.2 | Low | 203 Ų | 203 | 121 Ų | 121 | 77% | 0.766 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 122.5 | 172.7 | -73.5 | -173.2 | -168.6 | -173.2 | 4.7 | 109.7 | D194 R198 | D194-R196 PolarHBondContact O-N 3.33Å; R196-R198 PolarHBondContact O-N 3.47Å |
| 197 | R | 70.6 | Confident | 68.7 | Low | 204 Ų | 204 | 114.3 Ų | 114.3 | 77% | 0.77 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 130.9 | 171 | -68.9 | -175.3 | -177.4 | -175.4 | 1.2 | 109.1 | G195 V199 | G195-R197 PolarHBondContact O-N 3.13Å; R197-V199 PolarHBondContact O-N 3.35Å |
| 198 | R | 78.7 | Confident | 71.3 | Confident | 190 Ų | 190 | 120.6 Ų | 120.6 | 72% | 0.717 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 129.2 | 170.4 | -172.7 | -177.9 | -71.8 | -176.2 | -2.1 | 108.6 | R196 | R196-R198 PolarHBondContact O-N 3.47Š|
| 199 | V | 86.3 | Confident | 73.7 | Confident | 89 Ų | 89 | 116.1 Ų | 116.1 | 54% | 0.539 | 61% | 0.608 | S | S | . | * | trans | -110.3 | 149.4 | 177.3 | -65.1 | 0 | 0 | 0 | 0 | 110.4 | R197 V210 Y211 | R197-V199 PolarHBondContact O-N 3.35Å; V199-V210 HydrophobicContact CB-CG1 3.71Å; V199-V210 HydrophobicContact CG1-CG1 4.32Å; V199-V210 HydrophobicContact CG2-CG1 4.13Å; V199-Y211 CarbonylContact C-O 3.58Å | ||
| 200 | H | 88.7 | Confident | 76.1 | Confident | 51 Ų | 51 | 116.1 Ų | 116.1 | 24% | 0.236 | 59% | 0.594 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.3 | 112.9 | -176.2 | -64.6 | -82.6 | 0 | 0 | 0 | 108.9 | V210 Y211 K213 S214 L217 | H200-V210 CarbonylContact O-C 3.58Å; H200-V210 WeakPolarHBondContact O-CA 3.41Å; H200-Y211 PolarHBondContact N-O 3.37Å; H200-Y211 PolarHBondContact O-N 3.04Å; H200-K213 VanDerWaalsContact CD2-C 3.44Å; H200-S214 PolarHBondContact CD2-N 2.76Å; H200-S214 PolarHBondContact NE2-N 3.28Å; H200-L217 HydrophobicContact CB-CB 3.92Å; H200-L217 HydrophobicContact CB-CD2 3.72Å; H200-L217 HydrophobicContact CB-CG 4.4Å |
| 201 | R | 91.5 | Very high | 78.6 | Confident | 132 Ų | 132 | 109.1 Ų | 109.1 | 50% | 0.498 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97 | 140.9 | -177.2 | -176.7 | 178.8 | -64.6 | -82.7 | 3.6 | 111.2 | H203 V210 L217 | R201-H203 PolarHBondContact O-CE1 3.18Å; R201-H203 VanDerWaalsContact O-CE1 3.3Å; R201-H203 PolarHBondContact O-ND1 3.33Å; R201-V210 HydrophobicContact CB-CG2 4.39Å; R201-V210 HydrophobicContact CG-CG2 4.2Å; R201-L217 WeakPolarHBondContact O-CD2 3.41Å |
| 202 | C | 91.1 | Very high | 80.6 | Confident | 4 Ų | 4 | 108.6 Ų | 108.6 | 3% | 0.027 | 55% | 0.547 | C | S | . | . | trans | -76.6 | 131.1 | 167.1 | -167.1 | 0 | 0 | 0 | 0 | 110 | C207 K209 L217 H220 H224 | C202-C207 HydrophobicContact CB-CB 4.42Å; C202-K209 PolarHBondContact N-O 3.24Å; C202-L217 HydrophobicContact CB-CD1 3.8Å; C202-H220 PolarHBondContact SG-NE2 3.22Å; C202-H224 PolarHBondContact SG-NE2 3.44Å | ||
| 203 | H | 88.5 | Confident | 82.2 | Confident | 163 Ų | 163 | 111 Ų | 111 | 76% | 0.755 | 55% | 0.549 | S | S | * | . | trans | -105.5 | 11.3 | 179.3 | -59.7 | 91.5 | 0 | 0 | 0 | 112.3 | R201 | R201-H203 PolarHBondContact O-CE1 3.18Å; R201-H203 VanDerWaalsContact O-CE1 3.3Å; R201-H203 PolarHBondContact O-ND1 3.33Å | ||
| 204 | F | 89.4 | Confident | 83.7 | Confident | 109 Ų | 109 | 108.3 Ų | 108.3 | 48% | 0.478 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -67.4 | 140.2 | 175.6 | -170.6 | -95.7 | 0 | 0 | 0 | 110.1 | G206 C207 H224 | F204-G206 PolarHBondContact O-N 3.43Å; F204-C207 HydrophobicContact CB-CB 4.04Å; F204-C207 HydrophobicContact CD1-CB 4.44Å; F204-C207 WeakPolarHBondContact O-CB 3.47Å; F204-C207 PolarHBondContact O-N 3.32Å; F204-H224 HydrophobicContact CD1-CB 4.19Å; F204-H224 AromaticContact CD1-CE1 3.46Å; F204-H224 VanDerWaalsContact CD1-CE1 3.46Å; F204-H224 WeakPolarHBondContact CD1-CE1 3.39Å; F204-H224 AromaticContact CD1-CG 3.58Å; F204-H224 AromaticContact CD1-ND1 3.19Å; F204-H224 WeakPolarHBondContact CD1-ND1 3.41Å; F204-H224 AromaticContact CD1-NE2 3.99Å; F204-H224 HydrophobicContact CD2-CB 3.67Å; F204-H224 AromaticContact CD2-CG 3.81Å; F204-H224 HydrophobicContact CE1-CB 4.27Å; F204-H224 AromaticContact CE1-ND1 3.51Å; F204-H224 HydrophobicContact CE2-CB 3.78Å; F204-H224 HydrophobicContact CG-CB 3.88Å; F204-H224 AromaticContact CG-CD2 3.69Å; F204-H224 AromaticContact CG-CE1 3.88Å; F204-H224 AromaticContact CG-CG 3.45Å; F204-H224 VanDerWaalsContact CG-CG 3.45Å; F204-H224 AromaticContact CG-ND1 3.59Å; F204-H224 AromaticContact CG-NE2 3.96Å; F204-H224 HydrophobicContact CZ-CB 4.07Å |
| 205 | N | 88.9 | Confident | 84.8 | Confident | 152 Ų | 152 | 105.4 Ų | 105.4 | 81% | 0.813 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 129.5 | -176.4 | -168.1 | 13.5 | 0 | 0 | 0 | 110.7 | C207 | N205-C207 VanDerWaalsContact C-N 3.26Å; N205-C207 PolarHBondContact O-N 3.45Å |
| 206 | G | 85.6 | Confident | 86 | Confident | 78 Ų | 78 | 106.3 Ų | 106.3 | 80% | 0.804 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | -2.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F204 | F204-G206 PolarHBondContact O-N 3.43Š|
| 207 | C | 88.1 | Confident | 87.1 | Confident | 20 Ų | 20 | 97.6 Ų | 97.6 | 14% | 0.135 | 48% | 0.478 | C | S | . | . | trans | -100.9 | 118 | 178.1 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | C202 F204 N205 H220 H224 | C202-C207 HydrophobicContact CB-CB 4.42Å; F204-C207 HydrophobicContact CB-CB 4.04Å; F204-C207 HydrophobicContact CD1-CB 4.44Å; F204-C207 WeakPolarHBondContact O-CB 3.47Å; F204-C207 PolarHBondContact O-N 3.32Å; N205-C207 VanDerWaalsContact C-N 3.26Å; N205-C207 PolarHBondContact O-N 3.45Å; C207-H220 PolarHBondContact SG-NE2 3.4Å; C207-H224 WeakPolarHBondContact CB-NE2 3.47Å; C207-H224 PolarHBondContact SG-NE2 2.88Å | ||
| 208 | R | 88.6 | Confident | 87.8 | Confident | 229 Ų | 229 | 94 Ų | 94 | 86% | 0.864 | 47% | 0.468 | S | S | * | . | trans | -103.3 | 13 | 179.6 | -65.4 | -174.3 | 178.8 | -157.3 | 0.6 | 114.4 | ||||
| 209 | K | 90.2 | Very high | 88 | Confident | 68 Ų | 68 | 85.8 Ų | 85.8 | 30% | 0.296 | 44% | 0.44 | S | S | . | . | trans | -71.7 | 141.9 | -174.3 | -64.6 | -169.2 | -172.6 | 173.5 | 0 | 113 | C202 Y211 | C202-K209 PolarHBondContact N-O 3.24Å; K209-Y211 HydrophobicContact CB-CE2 3.71Å; K209-Y211 WeakPolarHBondContact CD-OH 3.32Å | ||
| 210 | V | 90.9 | Very high | 88 | Confident | 66 Ų | 66 | 82.1 Ų | 82.1 | 40% | 0.4 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.8 | -179.4 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | V199 H200 R201 | V199-V210 HydrophobicContact CB-CG1 3.71Å; V199-V210 HydrophobicContact CG1-CG1 4.32Å; V199-V210 HydrophobicContact CG2-CG1 4.13Å; H200-V210 CarbonylContact O-C 3.58Å; H200-V210 WeakPolarHBondContact O-CA 3.41Å; R201-V210 HydrophobicContact CB-CG2 4.39Å; R201-V210 HydrophobicContact CG-CG2 4.2Å |
| 211 | Y | 89.6 | Confident | 87.9 | Confident | 44 Ų | 44 | 83.8 Ų | 83.8 | 17% | 0.173 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142.5 | -174.3 | -61.2 | -87.1 | 0 | 0 | 0 | 110.9 | V199 H200 K209 K213 H216 L217 H220 | V199-Y211 CarbonylContact C-O 3.58Å; H200-Y211 PolarHBondContact N-O 3.37Å; H200-Y211 PolarHBondContact O-N 3.04Å; K209-Y211 HydrophobicContact CB-CE2 3.71Å; K209-Y211 WeakPolarHBondContact CD-OH 3.32Å; Y211-K213 VanDerWaalsContact C-N 3.29Å; Y211-H216 HydrophobicContact CD1-CB 3.55Å; Y211-H216 HydrophobicContact CE1-CB 4.35Å; Y211-H216 HydrophobicContact CG-CB 4.1Å; Y211-L217 HydrophobicContact CD2-CB 3.86Å; Y211-L217 HydrophobicContact CD2-CD1 3.75Å; Y211-L217 HydrophobicContact CD2-CG 4.43Å; Y211-L217 HydrophobicContact CE2-CD1 4.03Å; Y211-L217 HydrophobicContact CG-CB 4.19Å; Y211-H220 HydrophobicContact CE1-CB 4.11Å; Y211-H220 HydrophobicContact CE2-CB 3.78Å; Y211-H220 AromaticContact CE2-CD2 3.32Å; Y211-H220 WeakPolarHBondContact CE2-CD2 3.21Å; Y211-H220 AromaticContact CE2-CG 3.68Å; Y211-H220 VanDerWaalsContact CZ-CB 3.42Å; Y211-H220 AromaticContact CZ-CD2 3.61Å; Y211-H220 AromaticContact CZ-CG 3.48Å; Y211-H220 VanDerWaalsContact CZ-CG 3.48Å; Y211-H220 WeakPolarHBondContact OH-CB 3.42Å; Y211-H220 PolarHBondContact OH-CD2 3.05Å; Y211-H220 VanDerWaalsContact OH-CD2 3.24Å; Y211-H220 PolarHBondContact OH-ND1 3.05Å |
| 212 | T | 88.6 | Confident | 87.6 | Confident | 84 Ų | 84 | 79.6 Ų | 79.6 | 52% | 0.515 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -81.9 | -10.4 | 175.4 | 60 | 0 | 0 | 0 | 0 | 113.1 | ||
| 213 | K | 86.9 | Confident | 87.3 | Confident | 118 Ų | 118 | 83.8 Ų | 83.8 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -129.5 | 136.5 | 180 | -64.2 | -175.5 | -178.2 | -179.6 | 0 | 109.7 | H200 Y211 S215 H216 L217 | H200-K213 VanDerWaalsContact CD2-C 3.44Å; Y211-K213 VanDerWaalsContact C-N 3.29Å; K213-S215 VanDerWaalsContact C-N 3.28Å; K213-S215 PolarHBondContact O-N 2.9Å; K213-H216 HydrophobicContact CB-CB 4.45Å; K213-H216 PolarHBondContact O-N 3.24Å; K213-L217 PolarHBondContact O-N 3.2Å |
| 214 | S | 86.8 | Confident | 87.1 | Confident | 73 Ų | 73 | 78.6 Ų | 78.6 | 51% | 0.51 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.1 | -37.9 | 176.4 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | H200 H216 L217 K218 | H200-S214 PolarHBondContact CD2-N 2.76Å; H200-S214 PolarHBondContact NE2-N 3.28Å; S214-H216 VanDerWaalsContact C-N 3.29Å; S214-H216 PolarHBondContact O-N 3.33Å; S214-L217 PolarHBondContact O-N 3.5Å; S214-K218 PolarHBondContact O-N 3.08Å |
| 215 | S | 84.9 | Confident | 86.8 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.4 | -37.1 | 177.4 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | K213 K218 A219 | K213-S215 VanDerWaalsContact C-N 3.28Å; K213-S215 PolarHBondContact O-N 2.9Å; S215-K218 PolarHBondContact O-N 3.19Å; S215-A219 WeakPolarHBondContact O-CB 3.38Å; S215-A219 PolarHBondContact O-N 3.29Å |
| 216 | H | 86.4 | Confident | 86.5 | Confident | 87 Ų | 87 | 72.8 Ų | 72.8 | 40% | 0.403 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -72.3 | -39.1 | 177.2 | -64.6 | -177.9 | 0 | 0 | 0 | 111.7 | Y211 K213 S214 A219 H220 | Y211-H216 HydrophobicContact CD1-CB 3.55Å; Y211-H216 HydrophobicContact CE1-CB 4.35Å; Y211-H216 HydrophobicContact CG-CB 4.1Å; K213-H216 HydrophobicContact CB-CB 4.45Å; K213-H216 PolarHBondContact O-N 3.24Å; S214-H216 VanDerWaalsContact C-N 3.29Å; S214-H216 PolarHBondContact O-N 3.33Å; H216-A219 PolarHBondContact O-N 3.16Å; H216-H220 WeakPolarHBondContact O-CB 3.29Å; H216-H220 PolarHBondContact O-N 3.01Å |
| 217 | L | 88.4 | Confident | 86.3 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 10% | 0.099 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 172.5 | 174.4 | 63.7 | 0 | 0 | 0 | 110.7 | H200 R201 C202 Y211 K213 S214 A219 H220 Q221 | H200-L217 HydrophobicContact CB-CB 3.92Å; H200-L217 HydrophobicContact CB-CD2 3.72Å; H200-L217 HydrophobicContact CB-CG 4.4Å; R201-L217 WeakPolarHBondContact O-CD2 3.41Å; C202-L217 HydrophobicContact CB-CD1 3.8Å; Y211-L217 HydrophobicContact CD2-CB 3.86Å; Y211-L217 HydrophobicContact CD2-CD1 3.75Å; Y211-L217 HydrophobicContact CD2-CG 4.43Å; Y211-L217 HydrophobicContact CE2-CD1 4.03Å; Y211-L217 HydrophobicContact CG-CB 4.19Å; K213-L217 PolarHBondContact O-N 3.2Å; S214-L217 PolarHBondContact O-N 3.5Å; L217-A219 VanDerWaalsContact C-N 3.34Å; L217-A219 PolarHBondContact O-N 3.16Å; L217-H220 CarbonylContact O-C 3.58Å; L217-H220 WeakPolarHBondContact O-CB 3.4Å; L217-H220 PolarHBondContact O-N 3.07Å; L217-H220 VanDerWaalsContact O-N 3.14Å; L217-Q221 HydrophobicContact CD1-CG 4.31Å; L217-Q221 HydrophobicContact CG-CG 4.5Å; L217-Q221 WeakPolarHBondContact O-CG 3.47Å; L217-Q221 PolarHBondContact O-N 2.92Å |
| 218 | K | 85.7 | Confident | 86.2 | Confident | 130 Ų | 130 | 79.3 Ų | 79.3 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 178.4 | -170.9 | 174.3 | -175.2 | 176 | 0 | 112 | S214 S215 H220 Q221 | S214-K218 PolarHBondContact O-N 3.08Å; S215-K218 PolarHBondContact O-N 3.19Å; K218-H220 VanDerWaalsContact C-N 3.33Å; K218-Q221 PolarHBondContact O-N 3.45Å |
| 219 | A | 83.6 | Confident | 85.9 | Confident | 17 Ų | 17 | 71.4 Ų | 71.4 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S215 H216 L217 R222 R243 | S215-A219 WeakPolarHBondContact O-CB 3.38Å; S215-A219 PolarHBondContact O-N 3.29Å; H216-A219 PolarHBondContact O-N 3.16Å; L217-A219 VanDerWaalsContact C-N 3.34Å; L217-A219 PolarHBondContact O-N 3.16Å; A219-R222 WeakPolarHBondContact O-CB 3.47Å; A219-R222 PolarHBondContact O-N 3.17Å; A219-R243 HydrophobicContact CB-CG 4.31Å |
| 220 | H | 86.1 | Confident | 85.7 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.056 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 175.5 | 166.6 | 51.9 | 0 | 0 | 0 | 112.9 | C202 C207 Y211 H216 L217 K218 R222 T223 H224 | C202-H220 PolarHBondContact SG-NE2 3.22Å; C207-H220 PolarHBondContact SG-NE2 3.4Å; Y211-H220 HydrophobicContact CE1-CB 4.11Å; Y211-H220 HydrophobicContact CE2-CB 3.78Å; Y211-H220 AromaticContact CE2-CD2 3.32Å; Y211-H220 WeakPolarHBondContact CE2-CD2 3.21Å; Y211-H220 AromaticContact CE2-CG 3.68Å; Y211-H220 VanDerWaalsContact CZ-CB 3.42Å; Y211-H220 AromaticContact CZ-CD2 3.61Å; Y211-H220 AromaticContact CZ-CG 3.48Å; Y211-H220 VanDerWaalsContact CZ-CG 3.48Å; Y211-H220 WeakPolarHBondContact OH-CB 3.42Å; Y211-H220 PolarHBondContact OH-CD2 3.05Å; Y211-H220 VanDerWaalsContact OH-CD2 3.24Å; Y211-H220 PolarHBondContact OH-ND1 3.05Å; H216-H220 WeakPolarHBondContact O-CB 3.29Å; H216-H220 PolarHBondContact O-N 3.01Å; L217-H220 CarbonylContact O-C 3.58Å; L217-H220 WeakPolarHBondContact O-CB 3.4Å; L217-H220 PolarHBondContact O-N 3.07Å; L217-H220 VanDerWaalsContact O-N 3.14Å; K218-H220 VanDerWaalsContact C-N 3.33Å; H220-R222 PolarHBondContact O-N 3.23Å; H220-R222 VanDerWaalsContact O-N 3.09Å; H220-T223 PolarHBondContact ND1-OG1 3.16Å; H220-T223 WeakPolarHBondContact O-CB 3.42Å; H220-T223 PolarHBondContact O-N 3.02Å; H220-T223 PolarHBondContact O-OG1 3.31Å; H220-H224 AromaticContact CE1-CD2 3.98Å; H220-H224 AromaticContact CE1-CE1 3.93Å; H220-H224 AromaticContact CE1-NE2 3.24Å; H220-H224 PolarHBondContact CE1-NE2 3.33Å; H220-H224 AromaticContact NE2-CD2 3.95Å; H220-H224 AromaticContact NE2-NE2 3.2Å; H220-H224 PolarHBondContact NE2-NE2 3.4Å |
| 221 | Q | 85.9 | Confident | 85.5 | Confident | 86 Ų | 86 | 75.3 Ų | 75.3 | 40% | 0.402 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.4 | -28.9 | 177.9 | -75.5 | 173.6 | -44.1 | 0 | 0 | 112.5 | L217 K218 T223 H224 T225 | L217-Q221 HydrophobicContact CD1-CG 4.31Å; L217-Q221 HydrophobicContact CG-CG 4.5Å; L217-Q221 WeakPolarHBondContact O-CG 3.47Å; L217-Q221 PolarHBondContact O-N 2.92Å; K218-Q221 PolarHBondContact O-N 3.45Å; Q221-T223 PolarHBondContact O-N 3.32Å; Q221-H224 WeakPolarHBondContact O-CB 3.31Å; Q221-H224 PolarHBondContact O-N 2.8Å; Q221-T225 PolarHBondContact O-N 3.48Å |
| 222 | R | 86.2 | Confident | 85.6 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 17% | 0.166 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.3 | -21.3 | 173.3 | -59.6 | -175.2 | -174.7 | 111.9 | 1 | 114 | A219 H220 H224 T225 G226 E227 A242 | A219-R222 WeakPolarHBondContact O-CB 3.47Å; A219-R222 PolarHBondContact O-N 3.17Å; H220-R222 PolarHBondContact O-N 3.23Å; H220-R222 VanDerWaalsContact O-N 3.09Å; R222-H224 VanDerWaalsContact C-N 3.25Å; R222-H224 PolarHBondContact O-N 2.95Å; R222-T225 WeakPolarHBondContact CA-OG1 3.42Å; R222-G226 WeakPolarHBondContact O-CA 3.44Å; R222-G226 PolarHBondContact O-N 2.85Å; R222-E227 HydrophobicContact CB-CB 4.45Å; R222-E227 HydrophobicContact CG-CB 4.36Å; R222-E227 PolarHBondContact O-N 2.93Å; R222-A242 HydrophobicContact CB-CB 4.18Å; R222-A242 WeakPolarHBondContact CD-O 3.35Å |
| 223 | T | 84.7 | Confident | 85.5 | Confident | 91 Ų | 91 | 74.5 Ų | 74.5 | 56% | 0.558 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -73.6 | -20.6 | 173.5 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | H220 Q221 | H220-T223 PolarHBondContact ND1-OG1 3.16Å; H220-T223 WeakPolarHBondContact O-CB 3.42Å; H220-T223 PolarHBondContact O-N 3.02Å; H220-T223 PolarHBondContact O-OG1 3.31Å; Q221-T223 PolarHBondContact O-N 3.32Å |
| 224 | H | 84.6 | Confident | 85.4 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 26% | 0.255 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -87.7 | -37.7 | 174.8 | -64.1 | -55.8 | 0 | 0 | 0 | 111.9 | C202 F204 C207 H220 Q221 R222 | C202-H224 PolarHBondContact SG-NE2 3.44Å; F204-H224 HydrophobicContact CD1-CB 4.19Å; F204-H224 AromaticContact CD1-CE1 3.46Å; F204-H224 VanDerWaalsContact CD1-CE1 3.46Å; F204-H224 WeakPolarHBondContact CD1-CE1 3.39Å; F204-H224 AromaticContact CD1-CG 3.58Å; F204-H224 AromaticContact CD1-ND1 3.19Å; F204-H224 WeakPolarHBondContact CD1-ND1 3.41Å; F204-H224 AromaticContact CD1-NE2 3.99Å; F204-H224 HydrophobicContact CD2-CB 3.67Å; F204-H224 AromaticContact CD2-CG 3.81Å; F204-H224 HydrophobicContact CE1-CB 4.27Å; F204-H224 AromaticContact CE1-ND1 3.51Å; F204-H224 HydrophobicContact CE2-CB 3.78Å; F204-H224 HydrophobicContact CG-CB 3.88Å; F204-H224 AromaticContact CG-CD2 3.69Å; F204-H224 AromaticContact CG-CE1 3.88Å; F204-H224 AromaticContact CG-CG 3.45Å; F204-H224 VanDerWaalsContact CG-CG 3.45Å; F204-H224 AromaticContact CG-ND1 3.59Å; F204-H224 AromaticContact CG-NE2 3.96Å; F204-H224 HydrophobicContact CZ-CB 4.07Å; C207-H224 WeakPolarHBondContact CB-NE2 3.47Å; C207-H224 PolarHBondContact SG-NE2 2.88Å; H220-H224 AromaticContact CE1-CD2 3.98Å; H220-H224 AromaticContact CE1-CE1 3.93Å; H220-H224 AromaticContact CE1-NE2 3.24Å; H220-H224 PolarHBondContact CE1-NE2 3.33Å; H220-H224 AromaticContact NE2-CD2 3.95Å; H220-H224 AromaticContact NE2-NE2 3.2Å; H220-H224 PolarHBondContact NE2-NE2 3.4Å; Q221-H224 WeakPolarHBondContact O-CB 3.31Å; Q221-H224 PolarHBondContact O-N 2.8Å; R222-H224 VanDerWaalsContact C-N 3.25Å; R222-H224 PolarHBondContact O-N 2.95Å |
| 225 | T | 81.6 | Confident | 85.3 | Confident | 87 Ų | 87 | 78.8 Ų | 78.8 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -86.6 | -14.8 | -179.6 | 60 | 0 | 0 | 0 | 0 | 113.5 | Q221 R222 E227 | Q221-T225 PolarHBondContact O-N 3.48Å; R222-T225 WeakPolarHBondContact CA-OG1 3.42Å; T225-E227 PolarHBondContact O-N 2.96Å; T225-E227 WeakPolarHBondContact OG1-CG 3.26Å |
| 226 | G | 82.4 | Confident | 85.3 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 53% | 0.526 | 42% | 0.422 | S | S | . | . | trans | 71.5 | 8.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R222 K228 | R222-G226 WeakPolarHBondContact O-CA 3.44Å; R222-G226 PolarHBondContact O-N 2.85Å; G226-K228 PolarHBondContact O-N 2.98Å | ||
| 227 | E | 82.9 | Confident | 85.3 | Confident | 115 Ų | 115 | 76.1 Ų | 76.1 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | trans | -64 | 120.5 | -179 | -75.7 | 178 | -171.1 | 0 | 0 | 111.6 | R222 T225 P229 | R222-E227 HydrophobicContact CB-CB 4.45Å; R222-E227 HydrophobicContact CG-CB 4.36Å; R222-E227 PolarHBondContact O-N 2.93Å; T225-E227 PolarHBondContact O-N 2.96Å; T225-E227 WeakPolarHBondContact OG1-CG 3.26Å; E227-P229 VanDerWaalsContact C-CD 3.43Å; E227-P229 WeakPolarHBondContact O-CD 3.28Å | ||
| 228 | K | 85.2 | Confident | 85.3 | Confident | 120 Ų | 120 | 82.7 Ų | 82.7 | 52% | 0.522 | 44% | 0.438 | S | S | . | . | trans | -117.6 | 77.2 | 176.9 | -67.9 | 172.3 | 174.3 | -173.5 | 0 | 110.6 | G226 Y230 R240 F241 | G226-K228 PolarHBondContact O-N 2.98Å; K228-Y230 VanDerWaalsContact C-N 3.27Å; K228-Y230 PolarHBondContact O-N 3.21Å; K228-R240 HydrophobicContact CB-CB 3.62Å; K228-R240 HydrophobicContact CD-CB 4.24Å; K228-R240 WeakPolarHBondContact CD-O 3.22Å; K228-R240 PolarHBondContact O-NE 2.84Å; K228-R240 PolarHBondContact O-NH2 3.22Å; K228-F241 CarbonylContact C-O 3.59Å; K228-F241 VanDerWaalsContact C-O 3.31Å; K228-F241 VanDerWaalsContact CA-O 3.27Å; K228-F241 WeakPolarHBondContact CA-O 3.2Å | ||
| 229 | P | 82.9 | Confident | 85.4 | Confident | 64 Ų | 64 | 83.5 Ų | 83.5 | 42% | 0.416 | 44% | 0.438 | S | S | . | . | trans | -70.3 | -22.9 | -175.6 | 25.8 | -32 | 0 | 0 | 0 | 113 | E227 | E227-P229 VanDerWaalsContact C-CD 3.43Å; E227-P229 WeakPolarHBondContact O-CD 3.28Å | ||
| 230 | Y | 85.4 | Confident | 85.7 | Confident | 77 Ų | 77 | 87.9 Ų | 87.9 | 30% | 0.302 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 104.2 | -174.2 | -56.6 | -78.4 | 0 | 0 | 0 | 111 | K228 R240 F241 A242 | K228-Y230 VanDerWaalsContact C-N 3.27Å; K228-Y230 PolarHBondContact O-N 3.21Å; Y230-R240 CarbonylContact O-C 3.51Å; Y230-R240 VanDerWaalsContact O-CA 3.26Å; Y230-R240 WeakPolarHBondContact O-CA 3.15Å; Y230-F241 WeakPolarHBondContact CB-O 3.07Å; Y230-F241 WeakPolarHBondContact CD2-O 3.42Å; Y230-F241 PolarHBondContact N-O 3.19Å; Y230-F241 VanDerWaalsContact N-O 3.09Å; Y230-F241 PolarHBondContact O-N 3.26Å; Y230-A242 WeakPolarHBondContact CE2-O 3.43Å |
| 231 | R | 87.4 | Confident | 85.6 | Confident | 138 Ų | 138 | 88.5 Ų | 88.5 | 52% | 0.521 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 144 | 176.9 | 167.6 | 178.1 | -88.2 | -156.2 | -3.8 | 111 | R240 | R231-R240 HydrophobicContact CB-CG 4.25Å |
| 232 | C | 90.3 | Very high | 85.5 | Confident | 4 Ų | 4 | 85.1 Ų | 85.1 | 3% | 0.027 | 44% | 0.44 | C | S | . | . | trans | -69.6 | 131.4 | 168 | -164.9 | 0 | 0 | 0 | 0 | 110.5 | W234 C237 W239 L247 H250 H254 | C232-W234 VanDerWaalsContact C-N 3.34Å; C232-C237 HydrophobicContact CB-CB 4.26Å; C232-W239 HydrophobicContact CB-CB 4.45Å; C232-W239 PolarHBondContact N-O 3.22Å; C232-L247 HydrophobicContact CB-CD1 4.09Å; C232-H250 VanDerWaalsContact SG-CD2 3.59Å; C232-H254 PolarHBondContact SG-NE2 2.72Å | ||
| 233 | S | 86.8 | Confident | 85.3 | Confident | 107 Ų | 107 | 88.1 Ų | 88.1 | 75% | 0.748 | 45% | 0.451 | S | S | * | . | trans | -94.3 | 9.9 | 179.1 | -167.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 234 | W | 85.3 | Confident | 85.3 | Confident | 110 Ų | 110 | 86.6 Ų | 86.6 | 42% | 0.417 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -79.1 | 133.8 | 179.2 | -167.1 | -85.4 | 0 | 0 | 0 | 110 | C232 G236 C237 F251 H254 T255 | C232-W234 VanDerWaalsContact C-N 3.34Å; W234-G236 PolarHBondContact O-N 2.75Å; W234-C237 HydrophobicContact CB-CB 3.92Å; W234-C237 VanDerWaalsContact O-CB 3.32Å; W234-C237 WeakPolarHBondContact O-CB 3.34Å; W234-C237 PolarHBondContact O-N 3.02Å; W234-F251 HydrophobicContact CB-CE2 4.48Å; W234-F251 AromaticContact CE3-CE2 3.82Å; W234-F251 HydrophobicContact CE3-CE2 3.82Å; W234-F251 AromaticContact CE3-CZ 3.88Å; W234-F251 HydrophobicContact CE3-CZ 3.88Å; W234-F251 HydrophobicContact CZ3-CZ 4.19Å; W234-H254 AromaticContact CD1-CE1 3.7Å; W234-H254 AromaticContact CD1-CG 3.94Å; W234-H254 AromaticContact CD1-ND1 3.46Å; W234-H254 HydrophobicContact CD2-CB 3.41Å; W234-H254 VanDerWaalsContact CD2-CB 3.41Å; W234-H254 AromaticContact CD2-CG 3.51Å; W234-H254 AromaticContact CD2-ND1 3.8Å; W234-H254 AromaticContact CE2-CG 3.95Å; W234-H254 AromaticContact CE2-ND1 3.92Å; W234-H254 HydrophobicContact CE3-CB 3.38Å; W234-H254 AromaticContact CE3-CG 3.89Å; W234-H254 HydrophobicContact CG-CB 4Å; W234-H254 AromaticContact CG-CD2 3.75Å; W234-H254 AromaticContact CG-CE1 3.75Å; W234-H254 AromaticContact CG-CG 3.5Å; W234-H254 AromaticContact CG-ND1 3.5Å; W234-H254 AromaticContact CG-NE2 3.93Å; W234-H254 HydrophobicContact CH2-CB 3.92Å; W234-H254 HydrophobicContact CZ2-CB 3.96Å; W234-H254 HydrophobicContact CZ3-CB 3.64Å; W234-H254 AromaticContact NE1-ND1 3.72Å; W234-T255 HydrophobicContact CZ3-CG2 4.22Å |
| 235 | E | 85.1 | Confident | 85.2 | Confident | 172 Ų | 172 | 87.7 Ų | 87.7 | 80% | 0.804 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 128.3 | -179.6 | -67.1 | -57.6 | 139.3 | 0 | 0 | 111.2 | C237 | E235-C237 VanDerWaalsContact C-N 3.28Å; E235-C237 PolarHBondContact O-N 3.47Å |
| 236 | G | 84.1 | Confident | 85.4 | Confident | 84 Ų | 84 | 85.8 Ų | 85.8 | 87% | 0.866 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 4.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.5 | W234 | W234-G236 PolarHBondContact O-N 2.75Š|
| 237 | C | 87.3 | Confident | 85.7 | Confident | 16 Ų | 16 | 85 Ų | 85 | 11% | 0.108 | 42% | 0.421 | C | S | . | . | trans | -108.2 | 110.1 | 175.9 | -168.5 | 0 | 0 | 0 | 0 | 112.3 | C232 W234 E235 H250 H254 | C232-C237 HydrophobicContact CB-CB 4.26Å; W234-C237 HydrophobicContact CB-CB 3.92Å; W234-C237 VanDerWaalsContact O-CB 3.32Å; W234-C237 WeakPolarHBondContact O-CB 3.34Å; W234-C237 PolarHBondContact O-N 3.02Å; E235-C237 VanDerWaalsContact C-N 3.28Å; E235-C237 PolarHBondContact O-N 3.47Å; C237-H250 PolarHBondContact SG-NE2 3.19Å; C237-H254 PolarHBondContact SG-NE2 3.44Å; C237-H254 VanDerWaalsContact SG-NE2 3.39Å | ||
| 238 | E | 87.8 | Confident | 85.8 | Confident | 157 Ų | 157 | 82.8 Ų | 82.8 | 73% | 0.734 | 42% | 0.415 | S | S | * | . | trans | -95.3 | 11.3 | -179.5 | -58.6 | -166.6 | 146.1 | 0 | 0 | 113.9 | ||||
| 239 | W | 88.4 | Confident | 85.8 | Confident | 147 Ų | 147 | 81.4 Ų | 81.4 | 56% | 0.557 | 41% | 0.407 | S | S | * | . | trans | -65.8 | 137.1 | -174.2 | -79.6 | 65.5 | 0 | 0 | 0 | 112.2 | C232 F241 H250 | C232-W239 HydrophobicContact CB-CB 4.45Å; C232-W239 PolarHBondContact N-O 3.22Å; W239-F241 HydrophobicContact CB-CE2 3.87Å; W239-F241 HydrophobicContact CB-CZ 3.88Å; W239-F241 HydrophobicContact CD2-CZ 4.48Å; W239-F241 HydrophobicContact CE3-CE1 4.09Å; W239-F241 AromaticContact CE3-CZ 3.86Å; W239-F241 HydrophobicContact CE3-CZ 3.86Å; W239-H250 AromaticContact CG-CE1 3.75Å | ||
| 240 | R | 89.3 | Confident | 86.1 | Confident | 109 Ų | 109 | 79.2 Ų | 79.2 | 41% | 0.411 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 145.5 | 177.1 | -50.4 | -176 | 71.2 | 113.9 | 5.4 | 111.2 | K228 Y230 R231 | K228-R240 HydrophobicContact CB-CB 3.62Å; K228-R240 HydrophobicContact CD-CB 4.24Å; K228-R240 WeakPolarHBondContact CD-O 3.22Å; K228-R240 PolarHBondContact O-NE 2.84Å; K228-R240 PolarHBondContact O-NH2 3.22Å; Y230-R240 CarbonylContact O-C 3.51Å; Y230-R240 VanDerWaalsContact O-CA 3.26Å; Y230-R240 WeakPolarHBondContact O-CA 3.15Å; R231-R240 HydrophobicContact CB-CG 4.25Å |
| 241 | F | 85.1 | Confident | 86 | Confident | 25 Ų | 25 | 79.2 Ų | 79.2 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149.9 | -174.1 | -57.9 | -80.9 | 0 | 0 | 0 | 111.2 | K228 Y230 W239 R243 E246 L247 H250 | K228-F241 CarbonylContact C-O 3.59Å; K228-F241 VanDerWaalsContact C-O 3.31Å; K228-F241 VanDerWaalsContact CA-O 3.27Å; K228-F241 WeakPolarHBondContact CA-O 3.2Å; Y230-F241 WeakPolarHBondContact CB-O 3.07Å; Y230-F241 WeakPolarHBondContact CD2-O 3.42Å; Y230-F241 PolarHBondContact N-O 3.19Å; Y230-F241 VanDerWaalsContact N-O 3.09Å; Y230-F241 PolarHBondContact O-N 3.26Å; W239-F241 HydrophobicContact CB-CE2 3.87Å; W239-F241 HydrophobicContact CB-CZ 3.88Å; W239-F241 HydrophobicContact CD2-CZ 4.48Å; W239-F241 HydrophobicContact CE3-CE1 4.09Å; W239-F241 AromaticContact CE3-CZ 3.86Å; W239-F241 HydrophobicContact CE3-CZ 3.86Å; F241-R243 VanDerWaalsContact C-N 3.32Å; F241-E246 HydrophobicContact CB-CB 3.95Å; F241-E246 HydrophobicContact CD1-CB 3.73Å; F241-E246 HydrophobicContact CG-CB 4.04Å; F241-L247 HydrophobicContact CB-CB 4.35Å; F241-L247 HydrophobicContact CD2-CB 3.79Å; F241-L247 HydrophobicContact CD2-CD1 3.82Å; F241-L247 HydrophobicContact CD2-CG 4.41Å; F241-L247 HydrophobicContact CE2-CD1 3.99Å; F241-L247 HydrophobicContact CG-CB 4.26Å; F241-H250 HydrophobicContact CE1-CB 4.01Å; F241-H250 HydrophobicContact CE2-CB 3.71Å; F241-H250 AromaticContact CE2-CD2 3.59Å; F241-H250 AromaticContact CE2-CG 3.57Å; F241-H250 HydrophobicContact CZ-CB 3.34Å; F241-H250 AromaticContact CZ-CD2 3.72Å; F241-H250 AromaticContact CZ-CG 3.24Å; F241-H250 AromaticContact CZ-ND1 3.49Å; F241-H250 WeakPolarHBondContact CZ-ND1 3.5Å |
| 242 | A | 83.6 | Confident | 86 | Confident | 15 Ų | 15 | 76 Ų | 76 | 12% | 0.124 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -81.2 | -20 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R222 Y230 E246 | R222-A242 HydrophobicContact CB-CB 4.18Å; R222-A242 WeakPolarHBondContact CD-O 3.35Å; Y230-A242 WeakPolarHBondContact CE2-O 3.43Å; A242-E246 PolarHBondContact N-OE2 3.34Å |
| 243 | R | 81.9 | Confident | 85.8 | Confident | 106 Ų | 106 | 83.9 Ų | 83.9 | 40% | 0.4 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -131.2 | 152 | -178.6 | -55.2 | 169.9 | 46.1 | 160.1 | -5.9 | 112.4 | A219 F241 D245 E246 L247 | A219-R243 HydrophobicContact CB-CG 4.31Å; F241-R243 VanDerWaalsContact C-N 3.32Å; R243-D245 WeakPolarHBondContact CB-OD1 3.04Å; R243-D245 IonicContact CZ-OD1 3.43Å; R243-D245 IonicContact CZ-OD2 3.39Å; R243-D245 IonicContact NE-OD1 2.82Å; R243-D245 PolarHBondContact NE-OD1 3.43Å; R243-D245 IonicContact NE-OD2 3.5Å; R243-D245 PolarHBondContact NE-OD2 3.43Å; R243-D245 VanDerWaalsContact NH2-CG 3.29Å; R243-D245 IonicContact NH2-OD1 3.2Å; R243-D245 PolarHBondContact NH2-OD1 3.11Å; R243-D245 IonicContact NH2-OD2 2.71Å; R243-D245 PolarHBondContact NH2-OD2 3.49Å; R243-E246 HydrophobicContact CB-CB 4.46Å; R243-E246 HydrophobicContact CB-CG 4.05Å; R243-E246 WeakPolarHBondContact CD-OE1 3.33Å; R243-E246 PolarHBondContact N-OE2 3.48Å; R243-E246 PolarHBondContact O-N 3.17Å; R243-L247 PolarHBondContact O-N 2.94Å |
| 244 | S | 83.6 | Confident | 85.8 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 42% | 0.42 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.3 | -37.7 | 179 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | E246 L247 T248 | S244-E246 VanDerWaalsContact C-N 3.27Å; S244-E246 PolarHBondContact O-N 3.47Å; S244-L247 WeakPolarHBondContact O-CB 3.26Å; S244-L247 PolarHBondContact O-N 3.29Å; S244-T248 PolarHBondContact O-N 3.5Å; S244-T248 PolarHBondContact O-OG1 3.01Å; S244-T248 VanDerWaalsContact O-OG1 3.13Å |
| 245 | D | 82.8 | Confident | 85.7 | Confident | 77 Ų | 77 | 79.5 Ų | 79.5 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.5 | -31.5 | 178.7 | 60.3 | -57.4 | 0 | 0 | 0 | 112.6 | R243 R249 | R243-D245 WeakPolarHBondContact CB-OD1 3.04Å; R243-D245 IonicContact CZ-OD1 3.43Å; R243-D245 IonicContact CZ-OD2 3.39Å; R243-D245 IonicContact NE-OD1 2.82Å; R243-D245 PolarHBondContact NE-OD1 3.43Å; R243-D245 IonicContact NE-OD2 3.5Å; R243-D245 PolarHBondContact NE-OD2 3.43Å; R243-D245 VanDerWaalsContact NH2-CG 3.29Å; R243-D245 IonicContact NH2-OD1 3.2Å; R243-D245 PolarHBondContact NH2-OD1 3.11Å; R243-D245 IonicContact NH2-OD2 2.71Å; R243-D245 PolarHBondContact NH2-OD2 3.49Å; D245-R249 WeakPolarHBondContact O-CB 3.39Å; D245-R249 PolarHBondContact O-N 3.44Å |
| 246 | E | 85.6 | Confident | 85.7 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 172.7 | -67.1 | 169.8 | 173.8 | 0 | 0 | 111.4 | F241 A242 R243 S244 R249 H250 | F241-E246 HydrophobicContact CB-CB 3.95Å; F241-E246 HydrophobicContact CD1-CB 3.73Å; F241-E246 HydrophobicContact CG-CB 4.04Å; A242-E246 PolarHBondContact N-OE2 3.34Å; R243-E246 HydrophobicContact CB-CB 4.46Å; R243-E246 HydrophobicContact CB-CG 4.05Å; R243-E246 WeakPolarHBondContact CD-OE1 3.33Å; R243-E246 PolarHBondContact N-OE2 3.48Å; R243-E246 PolarHBondContact O-N 3.17Å; S244-E246 VanDerWaalsContact C-N 3.27Å; S244-E246 PolarHBondContact O-N 3.47Å; E246-R249 PolarHBondContact O-N 3.26Å; E246-H250 WeakPolarHBondContact O-CB 3.36Å; E246-H250 PolarHBondContact O-N 3.05Å |
| 247 | L | 88.4 | Confident | 85.7 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 174.4 | 172.4 | 62.2 | 0 | 0 | 0 | 111.1 | C232 F241 R243 S244 R249 H250 F251 | C232-L247 HydrophobicContact CB-CD1 4.09Å; F241-L247 HydrophobicContact CB-CB 4.35Å; F241-L247 HydrophobicContact CD2-CB 3.79Å; F241-L247 HydrophobicContact CD2-CD1 3.82Å; F241-L247 HydrophobicContact CD2-CG 4.41Å; F241-L247 HydrophobicContact CE2-CD1 3.99Å; F241-L247 HydrophobicContact CG-CB 4.26Å; R243-L247 PolarHBondContact O-N 2.94Å; S244-L247 WeakPolarHBondContact O-CB 3.26Å; S244-L247 PolarHBondContact O-N 3.29Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 3.07Å; L247-H250 WeakPolarHBondContact O-CB 3.47Å; L247-H250 PolarHBondContact O-N 3.45Å; L247-H250 VanDerWaalsContact O-N 3.13Å; L247-F251 WeakPolarHBondContact O-CB 3.35Å; L247-F251 PolarHBondContact O-N 3.09Å |
| 248 | T | 86.2 | Confident | 85.8 | Confident | 69 Ų | 69 | 77 Ų | 77 | 42% | 0.423 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | S244 F251 R252 | S244-T248 PolarHBondContact O-N 3.5Å; S244-T248 PolarHBondContact O-OG1 3.01Å; S244-T248 VanDerWaalsContact O-OG1 3.13Å; T248-F251 PolarHBondContact O-N 3.17Å; T248-R252 PolarHBondContact O-N 3.25Å |
| 249 | R | 84.5 | Confident | 85.7 | Confident | 91 Ų | 91 | 73.3 Ų | 73.3 | 34% | 0.343 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 175.8 | 177.5 | 178.8 | 59.9 | 177.4 | -3 | 111.7 | D245 E246 L247 F251 R252 R271 | D245-R249 WeakPolarHBondContact O-CB 3.39Å; D245-R249 PolarHBondContact O-N 3.44Å; E246-R249 PolarHBondContact O-N 3.26Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 3.07Å; R249-F251 VanDerWaalsContact C-N 3.33Å; R249-R252 WeakPolarHBondContact O-CB 3.34Å; R249-R252 PolarHBondContact O-N 3.49Å; R249-R271 HydrophobicContact CG-CG 4.35Å |
| 250 | H | 88.6 | Confident | 85.7 | Confident | 18 Ų | 18 | 69.1 Ų | 69.1 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.5 | 169.4 | 85.3 | 0 | 0 | 0 | 111.5 | C232 C237 W239 F241 E246 L247 R252 K253 H254 | C232-H250 VanDerWaalsContact SG-CD2 3.59Å; C237-H250 PolarHBondContact SG-NE2 3.19Å; W239-H250 AromaticContact CG-CE1 3.75Å; F241-H250 HydrophobicContact CE1-CB 4.01Å; F241-H250 HydrophobicContact CE2-CB 3.71Å; F241-H250 AromaticContact CE2-CD2 3.59Å; F241-H250 AromaticContact CE2-CG 3.57Å; F241-H250 HydrophobicContact CZ-CB 3.34Å; F241-H250 AromaticContact CZ-CD2 3.72Å; F241-H250 AromaticContact CZ-CG 3.24Å; F241-H250 AromaticContact CZ-ND1 3.49Å; F241-H250 WeakPolarHBondContact CZ-ND1 3.5Å; E246-H250 WeakPolarHBondContact O-CB 3.36Å; E246-H250 PolarHBondContact O-N 3.05Å; L247-H250 WeakPolarHBondContact O-CB 3.47Å; L247-H250 PolarHBondContact O-N 3.45Å; L247-H250 VanDerWaalsContact O-N 3.13Å; H250-R252 PolarHBondContact O-N 3.33Å; H250-R252 VanDerWaalsContact O-N 3.14Å; H250-K253 WeakPolarHBondContact O-CB 3.31Å; H250-K253 WeakPolarHBondContact O-CG 3.47Å; H250-K253 PolarHBondContact O-N 3.42Å; H250-H254 AromaticContact CD2-NE2 3.89Å; H250-H254 AromaticContact CE1-NE2 3.89Å; H250-H254 AromaticContact NE2-CD2 3.97Å; H250-H254 AromaticContact NE2-NE2 3.21Å; H250-H254 PolarHBondContact NE2-NE2 2.99Å |
| 251 | F | 84.4 | Confident | 85.7 | Confident | 78 Ų | 78 | 70 Ų | 70 | 34% | 0.342 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.4 | -25 | 179.5 | -159.5 | -102.7 | 0 | 0 | 0 | 113.5 | W234 L247 T248 R249 K253 H254 T255 | W234-F251 HydrophobicContact CB-CE2 4.48Å; W234-F251 AromaticContact CE3-CE2 3.82Å; W234-F251 HydrophobicContact CE3-CE2 3.82Å; W234-F251 AromaticContact CE3-CZ 3.88Å; W234-F251 HydrophobicContact CE3-CZ 3.88Å; W234-F251 HydrophobicContact CZ3-CZ 4.19Å; L247-F251 WeakPolarHBondContact O-CB 3.35Å; L247-F251 PolarHBondContact O-N 3.09Å; T248-F251 PolarHBondContact O-N 3.17Å; R249-F251 VanDerWaalsContact C-N 3.33Å; F251-K253 PolarHBondContact O-N 2.98Å; F251-H254 PolarHBondContact O-N 3.3Å; F251-H254 VanDerWaalsContact O-N 3.16Å; F251-T255 HydrophobicContact CD1-CG2 3.89Å; F251-T255 HydrophobicContact CE1-CG2 3.57Å; F251-T255 HydrophobicContact CZ-CG2 4.36Å; F251-T255 PolarHBondContact O-N 3.45Å; F251-T255 PolarHBondContact O-OG1 3.25Å; F251-T255 VanDerWaalsContact O-OG1 3.08Å |
| 252 | R | 87.9 | Confident | 86.1 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.5 | -21.8 | 171.3 | -62.2 | -178.7 | -176.8 | 156 | 3.9 | 113.5 | T248 R249 H250 T255 G256 A257 S270 | T248-R252 PolarHBondContact O-N 3.25Å; R249-R252 WeakPolarHBondContact O-CB 3.34Å; R249-R252 PolarHBondContact O-N 3.49Å; H250-R252 PolarHBondContact O-N 3.33Å; H250-R252 VanDerWaalsContact O-N 3.14Å; R252-T255 WeakPolarHBondContact CA-OG1 3.4Å; R252-G256 WeakPolarHBondContact O-CA 3.32Å; R252-G256 PolarHBondContact O-N 3.3Å; R252-A257 HydrophobicContact CB-CB 4.42Å; R252-A257 HydrophobicContact CG-CB 4.27Å; R252-A257 PolarHBondContact O-N 3.4Å; R252-S270 WeakPolarHBondContact CD-O 3.08Å; R252-S270 PolarHBondContact NH1-O 3.42Å |
| 253 | K | 85.7 | Confident | 86.4 | Confident | 169 Ų | 169 | 73 Ų | 73 | 74% | 0.735 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.7 | -35.4 | 174.9 | -63.5 | -174 | 172 | -168.7 | 0 | 111.7 | H250 F251 | H250-K253 WeakPolarHBondContact O-CB 3.31Å; H250-K253 WeakPolarHBondContact O-CG 3.47Å; H250-K253 PolarHBondContact O-N 3.42Å; F251-K253 PolarHBondContact O-N 2.98Å |
| 254 | H | 85.6 | Confident | 86.7 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 24% | 0.241 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -75.5 | -44.6 | 177.9 | -64.1 | -59.8 | 0 | 0 | 0 | 112.1 | C232 W234 C237 H250 F251 G256 | C232-H254 PolarHBondContact SG-NE2 2.72Å; W234-H254 AromaticContact CD1-CE1 3.7Å; W234-H254 AromaticContact CD1-CG 3.94Å; W234-H254 AromaticContact CD1-ND1 3.46Å; W234-H254 HydrophobicContact CD2-CB 3.41Å; W234-H254 VanDerWaalsContact CD2-CB 3.41Å; W234-H254 AromaticContact CD2-CG 3.51Å; W234-H254 AromaticContact CD2-ND1 3.8Å; W234-H254 AromaticContact CE2-CG 3.95Å; W234-H254 AromaticContact CE2-ND1 3.92Å; W234-H254 HydrophobicContact CE3-CB 3.38Å; W234-H254 AromaticContact CE3-CG 3.89Å; W234-H254 HydrophobicContact CG-CB 4Å; W234-H254 AromaticContact CG-CD2 3.75Å; W234-H254 AromaticContact CG-CE1 3.75Å; W234-H254 AromaticContact CG-CG 3.5Å; W234-H254 AromaticContact CG-ND1 3.5Å; W234-H254 AromaticContact CG-NE2 3.93Å; W234-H254 HydrophobicContact CH2-CB 3.92Å; W234-H254 HydrophobicContact CZ2-CB 3.96Å; W234-H254 HydrophobicContact CZ3-CB 3.64Å; W234-H254 AromaticContact NE1-ND1 3.72Å; C237-H254 PolarHBondContact SG-NE2 3.44Å; C237-H254 VanDerWaalsContact SG-NE2 3.39Å; H250-H254 AromaticContact CD2-NE2 3.89Å; H250-H254 AromaticContact CE1-NE2 3.89Å; H250-H254 AromaticContact NE2-CD2 3.97Å; H250-H254 AromaticContact NE2-NE2 3.21Å; H250-H254 PolarHBondContact NE2-NE2 2.99Å; F251-H254 PolarHBondContact O-N 3.3Å; F251-H254 VanDerWaalsContact O-N 3.16Å; H254-G256 VanDerWaalsContact C-N 3.34Å; H254-G256 PolarHBondContact O-N 3.29Å |
| 255 | T | 84.8 | Confident | 87.1 | Confident | 73 Ų | 73 | 73.3 Ų | 73.3 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -81.4 | -11.5 | -177.6 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | W234 F251 R252 A257 | W234-T255 HydrophobicContact CZ3-CG2 4.22Å; F251-T255 HydrophobicContact CD1-CG2 3.89Å; F251-T255 HydrophobicContact CE1-CG2 3.57Å; F251-T255 HydrophobicContact CZ-CG2 4.36Å; F251-T255 PolarHBondContact O-N 3.45Å; F251-T255 PolarHBondContact O-OG1 3.25Å; F251-T255 VanDerWaalsContact O-OG1 3.08Å; R252-T255 WeakPolarHBondContact CA-OG1 3.4Å; T255-A257 PolarHBondContact O-N 2.98Å; T255-A257 VanDerWaalsContact O-N 3.16Å |
| 256 | G | 84.9 | Confident | 87.4 | Confident | 49 Ų | 49 | 76.4 Ų | 76.4 | 51% | 0.505 | 40% | 0.399 | S | S | . | . | trans | 66 | 10.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R252 H254 K258 | R252-G256 WeakPolarHBondContact O-CA 3.32Å; R252-G256 PolarHBondContact O-N 3.3Å; H254-G256 VanDerWaalsContact C-N 3.34Å; H254-G256 PolarHBondContact O-N 3.29Å; G256-K258 PolarHBondContact O-N 2.9Å | ||
| 257 | A | 84.2 | Confident | 87.5 | Confident | 40 Ų | 40 | 81.3 Ų | 81.3 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | trans | -62.1 | 123 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R252 T255 P259 | R252-A257 HydrophobicContact CB-CB 4.42Å; R252-A257 HydrophobicContact CG-CB 4.27Å; R252-A257 PolarHBondContact O-N 3.4Å; T255-A257 PolarHBondContact O-N 2.98Å; T255-A257 VanDerWaalsContact O-N 3.16Å; A257-P259 WeakPolarHBondContact O-CD 3.33Å | ||
| 258 | K | 88.4 | Confident | 87.6 | Confident | 131 Ų | 131 | 82 Ų | 82 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | trans | -123.4 | 74.5 | 179 | -69.7 | 171 | -179.5 | 179.9 | 0 | 111 | G256 F260 C268 F269 | G256-K258 PolarHBondContact O-N 2.9Å; K258-F260 PolarHBondContact O-N 2.96Å; K258-C268 HydrophobicContact CB-CB 3.76Å; K258-C268 HydrophobicContact CD-CB 4.43Å; K258-F269 CarbonylContact C-O 3.47Å; K258-F269 VanDerWaalsContact C-O 3.27Å; K258-F269 VanDerWaalsContact CA-O 3.31Å; K258-F269 WeakPolarHBondContact CA-O 3.35Å | ||
| 259 | P | 85.5 | Confident | 87.6 | Confident | 80 Ų | 80 | 80.5 Ų | 80.5 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | trans | -72 | -12.7 | -173.3 | 28.2 | -34.3 | 0 | 0 | 0 | 114 | A257 | A257-P259 WeakPolarHBondContact O-CD 3.33Š| ||
| 260 | F | 89.1 | Confident | 87.7 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 26% | 0.259 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 95.6 | -174.6 | -59.1 | -75.4 | 0 | 0 | 0 | 111 | K258 C268 F269 L275 | K258-F260 PolarHBondContact O-N 2.96Å; F260-C268 CarbonylContact O-C 3.27Å; F260-C268 WeakPolarHBondContact O-CA 3.46Å; F260-F269 HydrophobicContact CB-CB 4.25Å; F260-F269 WeakPolarHBondContact CB-O 3.43Å; F260-F269 WeakPolarHBondContact CD2-O 3.45Å; F260-F269 PolarHBondContact N-O 2.88Å; F260-F269 PolarHBondContact O-N 2.96Å; F260-L275 HydrophobicContact CB-CB 4.19Å; F260-L275 HydrophobicContact CB-CD2 3.97Å |
| 261 | K | 89.2 | Confident | 87.7 | Confident | 128 Ų | 128 | 80.8 Ų | 80.8 | 56% | 0.557 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 140.4 | 176.4 | -174.9 | 172.8 | -179.3 | 179.2 | 0 | 111.7 | D266 | K261-D266 IonicContact NZ-OD1 3.32Å |
| 262 | C | 92.8 | Very high | 88 | Confident | 5 Ų | 5 | 80.4 Ų | 80.4 | 3% | 0.034 | 42% | 0.424 | C | S | . | . | trans | -75 | 139.1 | 169.7 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | H264 C265 R267 F269 L275 H278 M279 | C262-H264 PolarHBondContact SG-N 2.64Å; C262-H264 VanDerWaalsContact SG-N 3.4Å; C262-C265 CarbonylContact C-O 3.57Å; C262-C265 WeakPolarHBondContact CB-O 3.27Å; C262-R267 VanDerWaalsContact CB-O 3.29Å; C262-R267 WeakPolarHBondContact CB-O 3.42Å; C262-R267 PolarHBondContact N-O 3.09Å; C262-F269 HydrophobicContact CB-CE2 4.42Å; C262-L275 HydrophobicContact CB-CD1 4.04Å; C262-H278 PolarHBondContact SG-NE2 3.37Å; C262-H278 VanDerWaalsContact SG-NE2 3.45Å; C262-M279 HydrophobicContact CB-CE 3.97Å; C262-M279 WeakPolarHBondContact SG-CE 3.46Å | ||
| 263 | S | 91.1 | Very high | 88.2 | Confident | 98 Ų | 98 | 80.2 Ų | 80.2 | 69% | 0.685 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -79.2 | -22.4 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 264 | H | 87.7 | Confident | 88.4 | Confident | 133 Ų | 133 | 75.9 Ų | 75.9 | 62% | 0.616 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -99.7 | -13.9 | -176.2 | -64 | -75.4 | 0 | 0 | 0 | 113.4 | C262 H282 | C262-H264 PolarHBondContact SG-N 2.64Å; C262-H264 VanDerWaalsContact SG-N 3.4Å; H264-H282 HydrophobicContact CB-CB 4.29Å |
| 265 | C | 91.9 | Very high | 88.7 | Confident | 39 Ų | 39 | 74.8 Ų | 74.8 | 26% | 0.264 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -155.4 | 170.2 | 176.9 | 69.6 | 0 | 0 | 0 | 0 | 111.6 | C262 R267 H278 | C262-C265 CarbonylContact C-O 3.57Å; C262-C265 WeakPolarHBondContact CB-O 3.27Å; C265-R267 PolarHBondContact O-N 3Å; C265-R267 VanDerWaalsContact O-N 3.07Å; C265-H278 PolarHBondContact SG-NE2 2.91Å |
| 266 | D | 89.4 | Confident | 89.1 | Confident | 141 Ų | 141 | 74 Ų | 74 | 75% | 0.754 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -78.6 | 14.1 | -177.6 | -64.4 | -51.7 | 0 | 0 | 0 | 115 | K261 | K261-D266 IonicContact NZ-OD1 3.32Š|
| 267 | R | 87.2 | Confident | 89.5 | Confident | 150 Ų | 150 | 76.8 Ų | 76.8 | 57% | 0.566 | 41% | 0.41 | S | S | * | . | trans | -76.5 | 130.7 | 176.6 | -72 | -167.6 | 178.3 | 154.1 | 1.9 | 111.4 | C262 C265 F269 | C262-R267 VanDerWaalsContact CB-O 3.29Å; C262-R267 WeakPolarHBondContact CB-O 3.42Å; C262-R267 PolarHBondContact N-O 3.09Å; C265-R267 PolarHBondContact O-N 3Å; C265-R267 VanDerWaalsContact O-N 3.07Å; R267-F269 HydrophobicContact CB-CE2 3.8Å; R267-F269 HydrophobicContact CB-CZ 3.88Å | ||
| 268 | C | 90 | Very high | 89.8 | Confident | 50 Ų | 50 | 75.6 Ų | 75.6 | 34% | 0.338 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 144.8 | 172.4 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | K258 F260 | K258-C268 HydrophobicContact CB-CB 3.76Å; K258-C268 HydrophobicContact CD-CB 4.43Å; F260-C268 CarbonylContact O-C 3.27Å; F260-C268 WeakPolarHBondContact O-CA 3.46Å |
| 269 | F | 87.6 | Confident | 90 | Very high | 37 Ų | 37 | 71.3 Ų | 71.3 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 148.6 | -175.9 | -57.8 | -91.1 | 0 | 0 | 0 | 110.6 | K258 F260 C262 R267 R271 H274 L275 H278 | K258-F269 CarbonylContact C-O 3.47Å; K258-F269 VanDerWaalsContact C-O 3.27Å; K258-F269 VanDerWaalsContact CA-O 3.31Å; K258-F269 WeakPolarHBondContact CA-O 3.35Å; F260-F269 HydrophobicContact CB-CB 4.25Å; F260-F269 WeakPolarHBondContact CB-O 3.43Å; F260-F269 WeakPolarHBondContact CD2-O 3.45Å; F260-F269 PolarHBondContact N-O 2.88Å; F260-F269 PolarHBondContact O-N 2.96Å; C262-F269 HydrophobicContact CB-CE2 4.42Å; R267-F269 HydrophobicContact CB-CE2 3.8Å; R267-F269 HydrophobicContact CB-CZ 3.88Å; F269-R271 VanDerWaalsContact C-N 3.31Å; F269-H274 HydrophobicContact CB-CB 4.31Å; F269-H274 HydrophobicContact CD1-CB 3.94Å; F269-H274 HydrophobicContact CG-CB 4.4Å; F269-L275 HydrophobicContact CB-CB 4.4Å; F269-L275 HydrophobicContact CD2-CB 4.06Å; F269-L275 HydrophobicContact CD2-CD1 3.65Å; F269-L275 HydrophobicContact CD2-CG 4.5Å; F269-L275 HydrophobicContact CE2-CD1 3.88Å; F269-L275 HydrophobicContact CG-CB 4.36Å; F269-H278 HydrophobicContact CE1-CB 3.98Å; F269-H278 HydrophobicContact CE2-CB 3.94Å; F269-H278 AromaticContact CE2-CD2 3.44Å; F269-H278 VanDerWaalsContact CE2-CD2 3.44Å; F269-H278 WeakPolarHBondContact CE2-CD2 2.93Å; F269-H278 AromaticContact CE2-CG 3.7Å; F269-H278 HydrophobicContact CZ-CB 3.44Å; F269-H278 VanDerWaalsContact CZ-CB 3.44Å; F269-H278 AromaticContact CZ-CD2 3.47Å; F269-H278 VanDerWaalsContact CZ-CD2 3.47Å; F269-H278 WeakPolarHBondContact CZ-CD2 3.44Å; F269-H278 AromaticContact CZ-CG 3.25Å; F269-H278 AromaticContact CZ-ND1 3.77Å |
| 270 | S | 86.5 | Confident | 90.3 | Very high | 41 Ų | 41 | 74.4 Ų | 74.4 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -81 | -14 | 175.9 | 56.9 | 0 | 0 | 0 | 0 | 113 | R252 | R252-S270 WeakPolarHBondContact CD-O 3.08Å; R252-S270 PolarHBondContact NH1-O 3.42Å |
| 271 | R | 88.4 | Confident | 90.3 | Very high | 74 Ų | 74 | 81 Ų | 81 | 28% | 0.279 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -136.6 | 147.7 | -179 | -54.9 | 164 | 54.7 | 158.6 | -0.6 | 111.9 | R249 F269 D273 H274 L275 | R249-R271 HydrophobicContact CG-CG 4.35Å; F269-R271 VanDerWaalsContact C-N 3.31Å; R271-D273 WeakPolarHBondContact CB-OD1 3.33Å; R271-D273 IonicContact CZ-OD1 2.97Å; R271-D273 IonicContact CZ-OD2 3.35Å; R271-D273 VanDerWaalsContact CZ-OD2 3.32Å; R271-D273 IonicContact NE-OD1 2.64Å; R271-D273 PolarHBondContact NE-OD1 3.43Å; R271-D273 IonicContact NE-OD2 3.77Å; R271-D273 PolarHBondContact NE-OD2 3.34Å; R271-D273 IonicContact NH2-OD1 3.64Å; R271-D273 IonicContact NH2-OD2 3.76Å; R271-D273 PolarHBondContact NH2-OD2 3.05Å; R271-H274 HydrophobicContact CB-CB 4.43Å; R271-H274 WeakPolarHBondContact CD-NE2 3.14Å; R271-H274 PolarHBondContact NE-NE2 3.35Å; R271-L275 PolarHBondContact O-N 3.5Å |
| 272 | S | 90.4 | Very high | 90.2 | Very high | 70 Ų | 70 | 78.7 Ų | 78.7 | 49% | 0.49 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.9 | -32.3 | -178.7 | 53 | 0 | 0 | 0 | 0 | 113.3 | L275 A276 | S272-L275 WeakPolarHBondContact O-CB 3.41Å; S272-L275 PolarHBondContact O-N 2.98Å; S272-A276 WeakPolarHBondContact O-CB 3.47Å; S272-A276 PolarHBondContact O-N 2.95Å |
| 273 | D | 90.9 | Very high | 89.6 | Confident | 66 Ų | 66 | 87.8 Ų | 87.8 | 35% | 0.353 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.2 | -38.3 | 175.7 | 58.8 | -27.4 | 0 | 0 | 0 | 111.7 | R271 A276 L277 | R271-D273 WeakPolarHBondContact CB-OD1 3.33Å; R271-D273 IonicContact CZ-OD1 2.97Å; R271-D273 IonicContact CZ-OD2 3.35Å; R271-D273 VanDerWaalsContact CZ-OD2 3.32Å; R271-D273 IonicContact NE-OD1 2.64Å; R271-D273 PolarHBondContact NE-OD1 3.43Å; R271-D273 IonicContact NE-OD2 3.77Å; R271-D273 PolarHBondContact NE-OD2 3.34Å; R271-D273 IonicContact NH2-OD1 3.64Å; R271-D273 IonicContact NH2-OD2 3.76Å; R271-D273 PolarHBondContact NH2-OD2 3.05Å; D273-A276 PolarHBondContact O-N 3.47Å; D273-L277 WeakPolarHBondContact O-CG 3.42Å; D273-L277 PolarHBondContact O-N 3.47Å |
| 274 | H | 91.4 | Very high | 89.5 | Confident | 77 Ų | 77 | 87.3 Ų | 87.3 | 36% | 0.356 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 173.2 | -67.5 | -157.4 | 0 | 0 | 0 | 111.2 | F269 R271 L277 H278 | F269-H274 HydrophobicContact CB-CB 4.31Å; F269-H274 HydrophobicContact CD1-CB 3.94Å; F269-H274 HydrophobicContact CG-CB 4.4Å; R271-H274 HydrophobicContact CB-CB 4.43Å; R271-H274 WeakPolarHBondContact CD-NE2 3.14Å; R271-H274 PolarHBondContact NE-NE2 3.35Å; H274-L277 PolarHBondContact O-N 3.3Å; H274-H278 WeakPolarHBondContact O-CB 3.31Å; H274-H278 PolarHBondContact O-N 3.47Å |
| 275 | L | 92.1 | Very high | 89.6 | Confident | 30 Ų | 30 | 84.9 Ų | 84.9 | 16% | 0.157 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 171.5 | 177.4 | 68.3 | 0 | 0 | 0 | 110.8 | F260 C262 F269 R271 S272 L277 H278 M279 | F260-L275 HydrophobicContact CB-CB 4.19Å; F260-L275 HydrophobicContact CB-CD2 3.97Å; C262-L275 HydrophobicContact CB-CD1 4.04Å; F269-L275 HydrophobicContact CB-CB 4.4Å; F269-L275 HydrophobicContact CD2-CB 4.06Å; F269-L275 HydrophobicContact CD2-CD1 3.65Å; F269-L275 HydrophobicContact CD2-CG 4.5Å; F269-L275 HydrophobicContact CE2-CD1 3.88Å; F269-L275 HydrophobicContact CG-CB 4.36Å; R271-L275 PolarHBondContact O-N 3.5Å; S272-L275 WeakPolarHBondContact O-CB 3.41Å; S272-L275 PolarHBondContact O-N 2.98Å; L275-L277 PolarHBondContact O-N 2.98Å; L275-H278 CarbonylContact O-C 3.31Å; L275-H278 WeakPolarHBondContact O-CB 3.46Å; L275-H278 PolarHBondContact O-N 2.92Å; L275-H278 VanDerWaalsContact O-N 3.14Å; L275-M279 HydrophobicContact CD1-CE 3.51Å; L275-M279 HydrophobicContact CD1-CG 4.39Å; L275-M279 HydrophobicContact CD2-CE 4.47Å; L275-M279 HydrophobicContact CG-CE 4.08Å; L275-M279 HydrophobicContact CG-CG 4.35Å; L275-M279 VanDerWaalsContact O-CG 3.24Å; L275-M279 WeakPolarHBondContact O-CG 3.44Å; L275-M279 PolarHBondContact O-N 3.37Å |
| 276 | A | 92 | Very high | 89.5 | Confident | 57 Ų | 57 | 87.4 Ų | 87.4 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S272 D273 M279 K280 | S272-A276 WeakPolarHBondContact O-CB 3.47Å; S272-A276 PolarHBondContact O-N 2.95Å; D273-A276 PolarHBondContact O-N 3.47Å; A276-M279 PolarHBondContact O-N 3.49Å; A276-K280 PolarHBondContact O-N 2.73Å |
| 277 | L | 93.3 | Very high | 89.5 | Confident | 107 Ų | 107 | 84.3 Ų | 84.3 | 56% | 0.56 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65 | -40.7 | 172.9 | -71.8 | 173.6 | 0 | 0 | 0 | 111.7 | D273 H274 L275 M279 K280 | D273-L277 WeakPolarHBondContact O-CG 3.42Å; D273-L277 PolarHBondContact O-N 3.47Å; H274-L277 PolarHBondContact O-N 3.3Å; L275-L277 PolarHBondContact O-N 2.98Å; L277-M279 VanDerWaalsContact C-N 3.32Å; L277-M279 PolarHBondContact O-N 3.06Å; L277-K280 WeakPolarHBondContact O-CB 3.27Å; L277-K280 PolarHBondContact O-N 3.12Å |
| 278 | H | 91.7 | Very high | 89.6 | Confident | 14 Ų | 14 | 80.2 Ų | 80.2 | 7% | 0.065 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 174.9 | 173.5 | 65.6 | 0 | 0 | 0 | 112.2 | C262 C265 F269 H274 L275 K280 R281 H282 | C262-H278 PolarHBondContact SG-NE2 3.37Å; C262-H278 VanDerWaalsContact SG-NE2 3.45Å; C265-H278 PolarHBondContact SG-NE2 2.91Å; F269-H278 HydrophobicContact CE1-CB 3.98Å; F269-H278 HydrophobicContact CE2-CB 3.94Å; F269-H278 AromaticContact CE2-CD2 3.44Å; F269-H278 VanDerWaalsContact CE2-CD2 3.44Å; F269-H278 WeakPolarHBondContact CE2-CD2 2.93Å; F269-H278 AromaticContact CE2-CG 3.7Å; F269-H278 HydrophobicContact CZ-CB 3.44Å; F269-H278 VanDerWaalsContact CZ-CB 3.44Å; F269-H278 AromaticContact CZ-CD2 3.47Å; F269-H278 VanDerWaalsContact CZ-CD2 3.47Å; F269-H278 WeakPolarHBondContact CZ-CD2 3.44Å; F269-H278 AromaticContact CZ-CG 3.25Å; F269-H278 AromaticContact CZ-ND1 3.77Å; H274-H278 WeakPolarHBondContact O-CB 3.31Å; H274-H278 PolarHBondContact O-N 3.47Å; L275-H278 CarbonylContact O-C 3.31Å; L275-H278 WeakPolarHBondContact O-CB 3.46Å; L275-H278 PolarHBondContact O-N 2.92Å; L275-H278 VanDerWaalsContact O-N 3.14Å; H278-K280 PolarHBondContact O-N 3.38Å; H278-R281 VanDerWaalsContact O-CB 3.3Å; H278-R281 WeakPolarHBondContact O-CB 3.46Å; H278-R281 PolarHBondContact O-N 3.46Å; H278-H282 AromaticContact CD2-NE2 3.74Å; H278-H282 AromaticContact CE1-NE2 3.24Å; H278-H282 PolarHBondContact CE1-NE2 2.82Å; H278-H282 AromaticContact NE2-CD2 3.62Å; H278-H282 AromaticContact NE2-CE1 4Å; H278-H282 AromaticContact NE2-NE2 2.9Å; H278-H282 PolarHBondContact NE2-NE2 3.15Å |
| 279 | M | 90.8 | Very high | 89.6 | Confident | 42 Ų | 42 | 82.2 Ų | 82.2 | 21% | 0.207 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.9 | -30.2 | 178.1 | -72.7 | -65 | 176.1 | 0 | 0 | 112.8 | C262 L275 A276 L277 R281 H282 | C262-M279 HydrophobicContact CB-CE 3.97Å; C262-M279 WeakPolarHBondContact SG-CE 3.46Å; L275-M279 HydrophobicContact CD1-CE 3.51Å; L275-M279 HydrophobicContact CD1-CG 4.39Å; L275-M279 HydrophobicContact CD2-CE 4.47Å; L275-M279 HydrophobicContact CG-CE 4.08Å; L275-M279 HydrophobicContact CG-CG 4.35Å; L275-M279 VanDerWaalsContact O-CG 3.24Å; L275-M279 WeakPolarHBondContact O-CG 3.44Å; L275-M279 PolarHBondContact O-N 3.37Å; A276-M279 PolarHBondContact O-N 3.49Å; L277-M279 VanDerWaalsContact C-N 3.32Å; L277-M279 PolarHBondContact O-N 3.06Å; M279-R281 PolarHBondContact O-N 2.96Å; M279-R281 VanDerWaalsContact O-N 3.13Å; M279-H282 PolarHBondContact O-N 3.35Å |
| 280 | K | 92.7 | Very high | 89.7 | Confident | 145 Ų | 145 | 85.4 Ų | 85.4 | 63% | 0.63 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.4 | 173.9 | -62.9 | -177.1 | 179.1 | -176.5 | 0 | 113.9 | A276 L277 H278 H282 | A276-K280 PolarHBondContact O-N 2.73Å; L277-K280 WeakPolarHBondContact O-CB 3.27Å; L277-K280 PolarHBondContact O-N 3.12Å; H278-K280 PolarHBondContact O-N 3.38Å; K280-H282 VanDerWaalsContact C-N 3.34Å |
| 281 | R | 90.1 | Very high | 90 | Very high | 198 Ų | 198 | 88.8 Ų | 88.8 | 75% | 0.747 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -9.3 | 176.6 | -57.4 | 176.7 | 61.3 | 116 | 2.1 | 113 | H278 M279 | H278-R281 VanDerWaalsContact O-CB 3.3Å; H278-R281 WeakPolarHBondContact O-CB 3.46Å; H278-R281 PolarHBondContact O-N 3.46Å; M279-R281 PolarHBondContact O-N 2.96Å; M279-R281 VanDerWaalsContact O-N 3.13Å |
| 282 | H | 85.3 | Confident | 90.1 | Very high | 78 Ų | 78 | 90.1 Ų | 90.1 | 36% | 0.361 | 45% | 0.451 | S | S | . | . | trans | -105.7 | 2.4 | 178.2 | -64.6 | -65.6 | 0 | 0 | 0 | 112.7 | H264 H278 M279 K280 | H264-H282 HydrophobicContact CB-CB 4.29Å; H278-H282 AromaticContact CD2-NE2 3.74Å; H278-H282 AromaticContact CE1-NE2 3.24Å; H278-H282 PolarHBondContact CE1-NE2 2.82Å; H278-H282 AromaticContact NE2-CD2 3.62Å; H278-H282 AromaticContact NE2-CE1 4Å; H278-H282 AromaticContact NE2-NE2 2.9Å; H278-H282 PolarHBondContact NE2-NE2 3.15Å; M279-H282 PolarHBondContact O-N 3.35Å; K280-H282 VanDerWaalsContact C-N 3.34Å | ||
| 283 | I | 80.5 | Confident | 90.1 | Very high | 197 Ų | 197 | 91.9 Ų | 91.9 | 100% | 1.01 | 45% | 0.447 | S | S | * | . | trans | -101.6 | 0 | 173.4 | -58.2 | 171.8 | 0 | 0 | 0 | 106.9 |
Retrieved 283 of 283 residues in 547.7 ms
(Link to these results)