| 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 | I | 37.3 | Very low | 39.3 | Very low | 127 Ų | 127 | 100.5 Ų | 100.5 | 65% | 0.651 | 51% | 0.511 | S | S | * | . | 0 | -58 | 0 | -64.4 | 167.7 | 0 | 0 | 0 | 111.4 | L3 C4 I5 | I1-L3 VanDerWaalsContact C-N 3.26Å; I1-L3 PolarHBondContact O-N 3.32Å; I1-C4 WeakPolarHBondContact O-CA 3.31Å; I1-C4 PolarHBondContact O-N 3.32Å; I1-I5 HydrophobicContact CG2-CD1 3.84Å; I1-I5 HydrophobicContact CG2-CG1 4.45Å; I1-I5 WeakPolarHBondContact O-CG1 3.16Å; I1-I5 PolarHBondContact O-N 2.64Å | |||
| 2 | M | 32.6 | Very low | 39.8 | Very low | 89 Ų | 89 | 96.6 Ų | 96.6 | 44% | 0.438 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -53.5 | -40.7 | 171.6 | -86.7 | 176.7 | 66.9 | 0 | 0 | 113.2 | I5 W6 F232 | M2-I5 PolarHBondContact O-N 3.04Å; M2-W6 VanDerWaalsContact O-CB 3.23Å; M2-W6 WeakPolarHBondContact O-CB 3.49Å; M2-W6 PolarHBondContact O-N 3.37Å; M2-F232 HydrophobicContact CG-CE1 4.38Å; M2-F232 HydrophobicContact SD-CD1 3.85Å; M2-F232 HydrophobicContact SD-CE1 4.06Å |
| 3 | L | 32.6 | Very low | 40 | Very low | 139 Ų | 139 | 92.3 Ų | 92.3 | 73% | 0.728 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.2 | -35.1 | 175 | -148.3 | 85.3 | 0 | 0 | 0 | 112.8 | I1 V7 | I1-L3 VanDerWaalsContact C-N 3.26Å; I1-L3 PolarHBondContact O-N 3.32Å; L3-V7 WeakPolarHBondContact O-CB 3.17Å; L3-V7 WeakPolarHBondContact O-CG2 3.34Å; L3-V7 PolarHBondContact O-N 3.46Å |
| 4 | C | 33.6 | Very low | 40.2 | Very low | 88 Ų | 88 | 90.8 Ų | 90.8 | 60% | 0.595 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72.6 | -37.7 | 175.8 | -81.8 | 0 | 0 | 0 | 0 | 112 | I1 C8 | I1-C4 WeakPolarHBondContact O-CA 3.31Å; I1-C4 PolarHBondContact O-N 3.32Å; C4-C8 WeakPolarHBondContact O-CB 3.36Å; C4-C8 PolarHBondContact O-N 3.36Å; C4-C8 PolarHBondContact O-SG 3.18Å |
| 5 | I | 41.1 | Very low | 40.3 | Very low | 63 Ų | 63 | 90.8 Ų | 90.8 | 32% | 0.323 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66 | -47 | 172.7 | -65 | 169.3 | 0 | 0 | 0 | 109 | I1 M2 V7 C8 M9 | I1-I5 HydrophobicContact CG2-CD1 3.84Å; I1-I5 HydrophobicContact CG2-CG1 4.45Å; I1-I5 WeakPolarHBondContact O-CG1 3.16Å; I1-I5 PolarHBondContact O-N 2.64Å; M2-I5 PolarHBondContact O-N 3.04Å; I5-V7 PolarHBondContact O-N 2.66Å; I5-C8 PolarHBondContact O-N 2.95Å; I5-M9 HydrophobicContact CG2-CG 4.09Å; I5-M9 WeakPolarHBondContact O-CB 2.89Å; I5-M9 WeakPolarHBondContact O-CG 3.39Å; I5-M9 PolarHBondContact O-N 2.9Å |
| 6 | W | 41.4 | Very low | 40.7 | Very low | 149 Ų | 149 | 90.8 Ų | 90.8 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.1 | -45.4 | 174.7 | -100.1 | 70.8 | 0 | 0 | 0 | 112.9 | M2 M9 L10 | M2-W6 VanDerWaalsContact O-CB 3.23Å; M2-W6 WeakPolarHBondContact O-CB 3.49Å; M2-W6 PolarHBondContact O-N 3.37Å; W6-M9 PolarHBondContact O-N 3.18Å; W6-L10 HydrophobicContact CE3-CD1 3.97Å; W6-L10 HydrophobicContact CZ3-CD1 4.49Å; W6-L10 WeakPolarHBondContact O-CB 3.15Å; W6-L10 WeakPolarHBondContact O-CG 3.42Å; W6-L10 PolarHBondContact O-N 3.17Å |
| 7 | V | 40.3 | Very low | 40.6 | Very low | 84 Ų | 84 | 95 Ų | 95 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.1 | -41.1 | 179.3 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | L3 I5 L10 Y11 | L3-V7 WeakPolarHBondContact O-CB 3.17Å; L3-V7 WeakPolarHBondContact O-CG2 3.34Å; L3-V7 PolarHBondContact O-N 3.46Å; I5-V7 PolarHBondContact O-N 2.66Å; V7-L10 PolarHBondContact O-N 3.04Å; V7-Y11 VanDerWaalsContact O-CB 3.24Å; V7-Y11 WeakPolarHBondContact O-CB 3.32Å; V7-Y11 PolarHBondContact O-N 2.99Å |
| 8 | C | 43.1 | Very low | 40.1 | Very low | 75 Ų | 75 | 101.2 Ų | 101.2 | 51% | 0.507 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 172.4 | -76.7 | 0 | 0 | 0 | 0 | 111.8 | C4 I5 Y11 L12 | C4-C8 WeakPolarHBondContact O-CB 3.36Å; C4-C8 PolarHBondContact O-N 3.36Å; C4-C8 PolarHBondContact O-SG 3.18Å; I5-C8 PolarHBondContact O-N 2.95Å; C8-Y11 PolarHBondContact O-N 3.46Å; C8-L12 VanDerWaalsContact O-CB 3.32Å; C8-L12 WeakPolarHBondContact O-CB 3.46Å; C8-L12 WeakPolarHBondContact O-CD1 3.48Å; C8-L12 VanDerWaalsContact O-CG 3.26Å; C8-L12 WeakPolarHBondContact O-CG 3.33Å; C8-L12 PolarHBondContact O-N 3.24Å |
| 9 | M | 45.7 | Very low | 39.9 | Very low | 36 Ų | 36 | 101.7 Ų | 101.7 | 18% | 0.177 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 178.8 | -71.9 | -83.8 | -87.3 | 0 | 0 | 112 | I5 W6 S13 W246 L247 | I5-M9 HydrophobicContact CG2-CG 4.09Å; I5-M9 WeakPolarHBondContact O-CB 2.89Å; I5-M9 WeakPolarHBondContact O-CG 3.39Å; I5-M9 PolarHBondContact O-N 2.9Å; W6-M9 PolarHBondContact O-N 3.18Å; M9-S13 WeakPolarHBondContact O-CB 3.38Å; M9-S13 PolarHBondContact O-N 3.14Å; M9-S13 PolarHBondContact O-OG 3.48Å; M9-S13 VanDerWaalsContact O-OG 3.12Å; M9-W246 HydrophobicContact CE-CE3 4.42Å; M9-W246 HydrophobicContact SD-CZ3 4.42Å; M9-L247 HydrophobicContact CE-CB 4.26Å; M9-L247 HydrophobicContact SD-CB 4.32Å; M9-L247 HydrophobicContact SD-CD1 3.81Å; M9-L247 HydrophobicContact SD-CD2 4.46Å; M9-L247 HydrophobicContact SD-CG 4.43Å |
| 10 | L | 44 | Very low | 39.7 | Very low | 94 Ų | 94 | 101.6 Ų | 101.6 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.9 | -35.9 | 172.7 | -76.9 | 164.5 | 0 | 0 | 0 | 111.9 | W6 V7 S13 T14 | W6-L10 HydrophobicContact CE3-CD1 3.97Å; W6-L10 HydrophobicContact CZ3-CD1 4.49Å; W6-L10 WeakPolarHBondContact O-CB 3.15Å; W6-L10 WeakPolarHBondContact O-CG 3.42Å; W6-L10 PolarHBondContact O-N 3.17Å; V7-L10 PolarHBondContact O-N 3.04Å; L10-S13 WeakPolarHBondContact CA-OG 3.37Å; L10-S13 PolarHBondContact O-OG 3.26Å; L10-S13 VanDerWaalsContact O-OG 3.06Å; L10-T14 WeakPolarHBondContact O-CB 3.31Å; L10-T14 VanDerWaalsContact O-CG2 3.24Å; L10-T14 WeakPolarHBondContact O-CG2 3.49Å; L10-T14 PolarHBondContact O-N 2.88Å; L10-T14 PolarHBondContact O-OG1 3.35Å |
| 11 | Y | 40.6 | Very low | 39.6 | Very low | 161 Ų | 161 | 102.8 Ų | 102.8 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72 | -38.9 | 177.3 | -155.1 | -97.3 | 0 | 0 | 0 | 111.9 | V7 C8 T14 L15 | V7-Y11 VanDerWaalsContact O-CB 3.24Å; V7-Y11 WeakPolarHBondContact O-CB 3.32Å; V7-Y11 PolarHBondContact O-N 2.99Å; C8-Y11 PolarHBondContact O-N 3.46Å; Y11-T14 WeakPolarHBondContact CA-OG1 3.33Å; Y11-T14 PolarHBondContact O-OG1 3.41Å; Y11-L15 HydrophobicContact CD1-CD1 3.63Å; Y11-L15 HydrophobicContact CD1-CG 4.39Å; Y11-L15 HydrophobicContact CE1-CD1 3.79Å; Y11-L15 HydrophobicContact CE1-CG 4.41Å; Y11-L15 WeakPolarHBondContact O-CD1 3.41Å; Y11-L15 WeakPolarHBondContact O-CG 3.29Å; Y11-L15 PolarHBondContact O-N 2.72Å; Y11-L15 VanDerWaalsContact O-N 3.07Å |
| 12 | L | 45.7 | Very low | 39.9 | Very low | 54 Ų | 54 | 105.3 Ų | 105.3 | 28% | 0.283 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71.8 | -39.5 | 176.8 | -74.4 | 164.5 | 0 | 0 | 0 | 112.3 | C8 T14 L15 V16 | C8-L12 VanDerWaalsContact O-CB 3.32Å; C8-L12 WeakPolarHBondContact O-CB 3.46Å; C8-L12 WeakPolarHBondContact O-CD1 3.48Å; C8-L12 VanDerWaalsContact O-CG 3.26Å; C8-L12 WeakPolarHBondContact O-CG 3.33Å; C8-L12 PolarHBondContact O-N 3.24Å; L12-T14 VanDerWaalsContact C-N 3.33Å; L12-T14 PolarHBondContact O-N 3.06Å; L12-L15 PolarHBondContact O-N 3.49Å; L12-V16 WeakPolarHBondContact O-CG2 3.47Å; L12-V16 PolarHBondContact O-N 3.45Å; L12-V16 VanDerWaalsContact O-N 3.15Å |
| 13 | S | 41.4 | Very low | 40.3 | Very low | 41 Ų | 41 | 105 Ų | 105 | 29% | 0.287 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.7 | -37.3 | 175.8 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | M9 L10 H17 | M9-S13 WeakPolarHBondContact O-CB 3.38Å; M9-S13 PolarHBondContact O-N 3.14Å; M9-S13 PolarHBondContact O-OG 3.48Å; M9-S13 VanDerWaalsContact O-OG 3.12Å; L10-S13 WeakPolarHBondContact CA-OG 3.37Å; L10-S13 PolarHBondContact O-OG 3.26Å; L10-S13 VanDerWaalsContact O-OG 3.06Å; S13-H17 PolarHBondContact O-N 2.98Å |
| 14 | T | 43.8 | Very low | 40.3 | Very low | 71 Ų | 71 | 101.5 Ų | 101.5 | 44% | 0.436 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -73.3 | -30.1 | 176.1 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | L10 Y11 L12 H17 R18 | L10-T14 WeakPolarHBondContact O-CB 3.31Å; L10-T14 VanDerWaalsContact O-CG2 3.24Å; L10-T14 WeakPolarHBondContact O-CG2 3.49Å; L10-T14 PolarHBondContact O-N 2.88Å; L10-T14 PolarHBondContact O-OG1 3.35Å; Y11-T14 WeakPolarHBondContact CA-OG1 3.33Å; Y11-T14 PolarHBondContact O-OG1 3.41Å; L12-T14 VanDerWaalsContact C-N 3.33Å; L12-T14 PolarHBondContact O-N 3.06Å; T14-H17 PolarHBondContact O-N 3.32Å; T14-R18 WeakPolarHBondContact O-CG 3.17Å; T14-R18 PolarHBondContact O-N 3.13Å |
| 15 | L | 41.7 | Very low | 40.4 | Very low | 91 Ų | 91 | 105.9 Ų | 105.9 | 48% | 0.476 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.6 | -39.4 | 172.4 | -80.3 | 162.9 | 0 | 0 | 0 | 112.3 | Y11 L12 H17 R18 | Y11-L15 HydrophobicContact CD1-CD1 3.63Å; Y11-L15 HydrophobicContact CD1-CG 4.39Å; Y11-L15 HydrophobicContact CE1-CD1 3.79Å; Y11-L15 HydrophobicContact CE1-CG 4.41Å; Y11-L15 WeakPolarHBondContact O-CD1 3.41Å; Y11-L15 WeakPolarHBondContact O-CG 3.29Å; Y11-L15 PolarHBondContact O-N 2.72Å; Y11-L15 VanDerWaalsContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 3.49Å; L15-H17 VanDerWaalsContact C-N 3.33Å; L15-R18 PolarHBondContact O-N 3.35Å |
| 16 | V | 46.2 | Very low | 40 | Very low | 90 Ų | 90 | 107.9 Ų | 107.9 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69.3 | -31.6 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | L12 R18 | L12-V16 WeakPolarHBondContact O-CG2 3.47Å; L12-V16 PolarHBondContact O-N 3.45Å; L12-V16 VanDerWaalsContact O-N 3.15Å; V16-R18 VanDerWaalsContact C-N 3.35Å |
| 17 | H | 38.5 | Very low | 39.6 | Very low | 163 Ų | 163 | 108.8 Ų | 108.8 | 76% | 0.755 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.3 | -10.1 | 175.2 | -85.4 | 33.5 | 0 | 0 | 0 | 114.7 | S13 T14 L15 | S13-H17 PolarHBondContact O-N 2.98Å; T14-H17 PolarHBondContact O-N 3.32Å; L15-H17 VanDerWaalsContact C-N 3.33Å |
| 18 | R | 32.3 | Very low | 39.5 | Very low | 206 Ų | 206 | 109.2 Ų | 109.2 | 78% | 0.777 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 1 | -177.5 | -90.8 | -175.5 | -179.3 | -140 | 2.2 | 115.5 | T14 L15 V16 C20 | T14-R18 WeakPolarHBondContact O-CG 3.17Å; T14-R18 PolarHBondContact O-N 3.13Å; L15-R18 PolarHBondContact O-N 3.35Å; V16-R18 VanDerWaalsContact C-N 3.35Å; R18-C20 VanDerWaalsContact C-N 3.33Å; R18-C20 PolarHBondContact O-N 3.41Å |
| 19 | S | 35.8 | Very low | 39.1 | Very low | 112 Ų | 112 | 112.8 Ų | 112.8 | 78% | 0.783 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 9.6 | 178.5 | -62.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 20 | C | 37 | Very low | 38.8 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | trans | -108.5 | 93.4 | 177.8 | -144.2 | 0 | 0 | 0 | 0 | 110.6 | R18 | R18-C20 VanDerWaalsContact C-N 3.33Å; R18-C20 PolarHBondContact O-N 3.41Å | ||
| 21 | T | 37.3 | Very low | 38.7 | Very low | 127 Ų | 127 | 116.6 Ų | 116.6 | 78% | 0.779 | 66% | 0.656 | S | S | * | * | trans | -100 | 129.1 | 165.5 | 37.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 22 | I | 42.4 | Very low | 38.9 | Very low | 180 Ų | 180 | 119.1 Ų | 119.1 | 92% | 0.923 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -9.9 | 112.7 | 168.9 | -54.5 | 170.3 | 0 | 0 | 0 | 115.4 | ||
| 23 | G | 42.4 | Very low | 39.3 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 95.5 | 67.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 24 | G | 32.2 | Very low | 40.6 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -178.9 | 129 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | C26 | G24-C26 PolarHBondContact O-N 3.03Å; G24-C26 VanDerWaalsContact O-N 3.15Å |
| 25 | Q | 34.9 | Very low | 42.4 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 71% | 0.707 | S | S | * | * | trans | -50.4 | 119.5 | 176.5 | -80.8 | 157.6 | -47.9 | 0 | 0 | 110.4 | H27 | Q25-H27 VanDerWaalsContact C-N 3.3Å; Q25-H27 PolarHBondContact O-N 2.98Å | ||
| 26 | C | 32.7 | Very low | 44.7 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 71% | 0.709 | 70% | 0.696 | S | S | * | * | trans | -68.7 | 91.7 | 167.4 | -70.5 | 0 | 0 | 0 | 0 | 107.8 | G24 S28 | G24-C26 PolarHBondContact O-N 3.03Å; G24-C26 VanDerWaalsContact O-N 3.15Å; C26-S28 VanDerWaalsContact C-N 3.3Å; C26-S28 PolarHBondContact O-N 3.45Å; C26-S28 VanDerWaalsContact O-N 3.1Å | ||
| 27 | H | 33.6 | Very low | 46.9 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 78% | 0.782 | 69% | 0.687 | S | S | * | * | trans | -69.8 | 99.2 | 154.2 | -81.8 | -68.3 | 0 | 0 | 0 | 106.4 | Q25 D29 | Q25-H27 VanDerWaalsContact C-N 3.3Å; Q25-H27 PolarHBondContact O-N 2.98Å; H27-D29 VanDerWaalsContact C-N 3.28Å; H27-D29 PolarHBondContact O-N 3.39Å | ||
| 28 | S | 37.3 | Very low | 49.6 | Very low | 93 Ų | 93 | 122.4 Ų | 122.4 | 65% | 0.65 | 65% | 0.651 | S | S | * | * | trans | -65 | 96.5 | 163.9 | 55.8 | 0 | 0 | 0 | 0 | 106.7 | C26 E30 | C26-S28 VanDerWaalsContact C-N 3.3Å; C26-S28 PolarHBondContact O-N 3.45Å; C26-S28 VanDerWaalsContact O-N 3.1Å; S28-E30 PolarHBondContact O-N 2.83Å | ||
| 29 | D | 35.1 | Very low | 52.4 | Low | 149 Ų | 149 | 112.7 Ų | 112.7 | 80% | 0.797 | 62% | 0.615 | S | S | * | * | trans | -71.2 | 70.5 | 161.9 | -150.7 | -0.3 | 0 | 0 | 0 | 107 | H27 S31 | H27-D29 VanDerWaalsContact C-N 3.28Å; H27-D29 PolarHBondContact O-N 3.39Å; D29-S31 PolarHBondContact O-N 3.06Å | ||
| 30 | E | 40.3 | Very low | 55.1 | Low | 140 Ų | 140 | 111.8 Ų | 111.8 | 65% | 0.654 | 60% | 0.601 | S | S | * | * | trans | -67.7 | 76.9 | 164.1 | -77.4 | -166.9 | 176.8 | 0 | 0 | 107.3 | S28 R32 | S28-E30 PolarHBondContact O-N 2.83Å; E30-R32 PolarHBondContact O-N 2.93Å; E30-R32 VanDerWaalsContact O-N 3.11Å | ||
| 31 | S | 41.3 | Very low | 57.9 | Low | 70 Ų | 70 | 109.2 Ų | 109.2 | 49% | 0.49 | 58% | 0.579 | S | S | . | * | -44.6 | 117.9 | 130 | -85.1 | 0 | 0 | 0 | 0 | 105.8 | D29 W33 | D29-S31 PolarHBondContact O-N 3.06Å; S31-W33 WeakPolarHBondContact O-CZ3 3.39Å; S31-W33 PolarHBondContact O-N 2.91Å | |||
| 32 | R | 45.3 | Very low | 60.7 | Low | 214 Ų | 214 | 105.5 Ų | 105.5 | 81% | 0.808 | 56% | 0.555 | S | S | * | * | trans | -85 | 96.3 | 169.1 | -105.2 | 168.5 | 135.1 | -176.1 | -3.8 | 105.2 | E30 R34 | E30-R32 PolarHBondContact O-N 2.93Å; E30-R32 VanDerWaalsContact O-N 3.11Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.25Å | ||
| 33 | W | 53.3 | Low | 63.4 | Low | 184 Ų | 184 | 97 Ų | 97 | 70% | 0.697 | 51% | 0.511 | S | S | * | . | trans | -54.9 | 103.4 | 162.8 | -69.2 | -116.1 | 0 | 0 | 0 | 105.8 | S31 L35 | S31-W33 WeakPolarHBondContact O-CZ3 3.39Å; S31-W33 PolarHBondContact O-N 2.91Å; W33-L35 PolarHBondContact O-N 3.23Å | ||
| 34 | R | 69.6 | Low | 66 | Low | 242 Ų | 242 | 94.2 Ų | 94.2 | 91% | 0.913 | 48% | 0.478 | S | S | * | . | trans | -73.7 | 100.1 | 174.4 | -85.5 | -174.4 | -178.9 | 173.6 | 1.1 | 106.7 | R32 | R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.25Å | ||
| 35 | L | 81.1 | Confident | 69.2 | Low | 54 Ų | 54 | 95.1 Ų | 95.1 | 28% | 0.283 | 47% | 0.465 | S | S | . | . | trans | -52.7 | 150.9 | 167.2 | -67.5 | 168.8 | 0 | 0 | 0 | 109.9 | W33 P37 E249 A253 | W33-L35 PolarHBondContact O-N 3.23Å; L35-P37 VanDerWaalsContact O-CD 3.3Å; L35-P37 WeakPolarHBondContact O-CD 3.32Å; L35-E249 HydrophobicContact CD1-CB 3.83Å; L35-E249 HydrophobicContact CD1-CG 3.67Å; L35-A253 HydrophobicContact CD2-CB 3.27Å | ||
| 36 | D | 89.5 | Confident | 72.2 | Confident | 44 Ų | 44 | 86.6 Ų | 86.6 | 24% | 0.235 | 43% | 0.425 | C | S | . | . | trans | -58.1 | 123.8 | 170.3 | -164.8 | -47.9 | 0 | 0 | 0 | 108.2 | E38 V39 R49 R280 V283 | D36-E38 PolarHBondContact O-N 2.59Å; D36-E38 WeakPolarHBondContact OD1-CB 3.35Å; D36-E38 WeakPolarHBondContact OD1-CG 3.28Å; D36-E38 PolarHBondContact OD1-N 2.94Å; D36-V39 VanDerWaalsContact O-CB 3.26Å; D36-V39 WeakPolarHBondContact O-CB 3.23Å; D36-V39 WeakPolarHBondContact O-CG2 3.13Å; D36-V39 PolarHBondContact O-N 2.97Å; D36-R49 IonicContact OD1-NH2 3.74Å; D36-R280 IonicContact OD2-CZ 3.62Å; D36-R280 IonicContact OD2-NH1 3.93Å; D36-R280 PolarHBondContact OD2-NH1 3.32Å; D36-R280 IonicContact OD2-NH2 3.55Å; D36-R280 PolarHBondContact OD2-NH2 3.4Å; D36-V283 HydrophobicContact CB-CG2 3.7Å | ||
| 37 | P | 93.1 | Very high | 75.3 | Confident | 56 Ų | 56 | 81.6 Ų | 81.6 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -55.6 | -22.9 | 179.4 | -26.6 | 33.8 | 0 | 0 | 0 | 114.1 | L35 V39 D40 M41 R49 | L35-P37 VanDerWaalsContact O-CD 3.3Å; L35-P37 WeakPolarHBondContact O-CD 3.32Å; P37-V39 PolarHBondContact O-N 2.88Å; P37-D40 PolarHBondContact O-N 2.87Å; P37-D40 VanDerWaalsContact O-N 3.1Å; P37-M41 HydrophobicContact CB-CE 3.74Å; P37-M41 WeakPolarHBondContact O-CG 3.16Å; P37-R49 VanDerWaalsContact CB-NH1 3.28Å; P37-R49 VanDerWaalsContact CD-NH2 3.31Å; P37-R49 VanDerWaalsContact CG-NH1 3.35Å |
| 38 | E | 95.4 | Very high | 78.4 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -65.6 | -15.2 | 177.1 | -67.1 | 171 | -130.2 | 0 | 0 | 113.4 | D36 D40 M41 I46 R49 W50 R280 V283 H287 | D36-E38 PolarHBondContact O-N 2.59Å; D36-E38 WeakPolarHBondContact OD1-CB 3.35Å; D36-E38 WeakPolarHBondContact OD1-CG 3.28Å; D36-E38 PolarHBondContact OD1-N 2.94Å; E38-D40 PolarHBondContact O-N 2.92Å; E38-M41 HydrophobicContact CG-SD 4.2Å; E38-M41 PolarHBondContact O-N 2.92Å; E38-I46 HydrophobicContact CB-CG1 4.31Å; E38-I46 HydrophobicContact CG-CG1 4.24Å; E38-I46 HydrophobicContact CG-CG2 4.43Å; E38-R49 VanDerWaalsContact CG-CD 3.43Å; E38-R49 IonicContact OE1-NE 2.88Å; E38-R49 PolarHBondContact OE1-NE 3.17Å; E38-W50 VanDerWaalsContact OE1-CZ2 3.26Å; E38-W50 WeakPolarHBondContact OE1-CZ2 3.38Å; E38-W50 PolarHBondContact OE1-NE1 3.23Å; E38-R280 IonicContact OE1-NH2 3.72Å; E38-R280 PolarHBondContact OE1-NH2 3.23Å; E38-R280 VanDerWaalsContact OE1-NH2 3.15Å; E38-R280 IonicContact OE2-CZ 2.84Å; E38-R280 IonicContact OE2-NH2 3.02Å; E38-R280 PolarHBondContact OE2-NH2 3.21Å; E38-V283 HydrophobicContact CB-CG1 4.03Å; E38-V283 HydrophobicContact CB-CG2 4.11Å; E38-H287 PolarHBondContact O-NE2 3.46Å |
| 39 | V | 91.5 | Very high | 81.3 | Confident | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -56.8 | -35.2 | 169.7 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | D36 P37 E249 P282 V283 T286 | D36-V39 VanDerWaalsContact O-CB 3.26Å; D36-V39 WeakPolarHBondContact O-CB 3.23Å; D36-V39 WeakPolarHBondContact O-CG2 3.13Å; D36-V39 PolarHBondContact O-N 2.97Å; P37-V39 PolarHBondContact O-N 2.88Å; V39-E249 HydrophobicContact CG1-CG 4.24Å; V39-P282 HydrophobicContact CG2-CB 3.87Å; V39-V283 HydrophobicContact CG2-CG2 3.96Å; V39-T286 HydrophobicContact CG1-CG2 4.43Å; V39-T286 WeakPolarHBondContact O-CG2 3.09Å |
| 40 | D | 91.3 | Very high | 84.3 | Confident | 93 Ų | 93 | 75.5 Ų | 75.5 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -104.3 | 1.8 | -173.7 | -71.6 | -44.1 | 0 | 0 | 0 | 114.2 | P37 E38 K245 | P37-D40 PolarHBondContact O-N 2.87Å; P37-D40 VanDerWaalsContact O-N 3.1Å; E38-D40 PolarHBondContact O-N 2.92Å; D40-K245 WeakPolarHBondContact OD1-CE 3.3Å; D40-K245 IonicContact OD1-NZ 2.66Å; D40-K245 PolarHBondContact OD1-NZ 2.87Å |
| 41 | M | 96.3 | Very high | 87 | Confident | 44 Ų | 44 | 71.3 Ų | 71.3 | 22% | 0.217 | 34% | 0.335 | C | S | . | . | trans | -98.5 | 143 | -171.7 | -72.9 | 176.4 | 178.1 | 0 | 0 | 112.4 | P37 E38 E45 I46 R49 H287 | P37-M41 HydrophobicContact CB-CE 3.74Å; P37-M41 WeakPolarHBondContact O-CG 3.16Å; E38-M41 HydrophobicContact CG-SD 4.2Å; E38-M41 PolarHBondContact O-N 2.92Å; M41-E45 VanDerWaalsContact CA-OE2 3.29Å; M41-E45 WeakPolarHBondContact CA-OE2 3.26Å; M41-E45 HydrophobicContact CB-CB 3.73Å; M41-E45 HydrophobicContact CG-CB 3.88Å; M41-E45 HydrophobicContact SD-CB 4.36Å; M41-I46 HydrophobicContact CB-CD1 4.48Å; M41-I46 HydrophobicContact CB-CG1 3.65Å; M41-R49 HydrophobicContact SD-CB 4.14Å; M41-R49 HydrophobicContact SD-CG 4.4Å; M41-H287 PolarHBondContact O-CE1 2.96Å | ||
| 42 | N | 96.5 | Very high | 89.7 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | trans | -75.1 | 172.4 | 164.4 | 69 | 53 | 0 | 0 | 0 | 111.8 | T44 E45 I46 W129 | N42-T44 VanDerWaalsContact C-N 3.31Å; N42-T44 PolarHBondContact O-N 3.21Å; N42-T44 WeakPolarHBondContact OD1-CA 3.25Å; N42-T44 WeakPolarHBondContact OD1-CB 3.18Å; N42-T44 PolarHBondContact OD1-N 3.08Å; N42-E45 PolarHBondContact N-OE2 2.95Å; N42-E45 PolarHBondContact ND2-OE2 2.94Å; N42-E45 VanDerWaalsContact ND2-OE2 3.11Å; N42-E45 PolarHBondContact O-N 2.88Å; N42-E45 VanDerWaalsContact O-N 3.16Å; N42-E45 PolarHBondContact OD1-N 2.97Å; N42-I46 WeakPolarHBondContact O-CG1 3.14Å; N42-I46 PolarHBondContact O-N 3.46Å; N42-W129 HydrophobicContact CB-CH2 3.4Å; N42-W129 VanDerWaalsContact CB-CH2 3.4Å; N42-W129 HydrophobicContact CB-CZ2 4.32Å; N42-W129 HydrophobicContact CB-CZ3 3.63Å | ||
| 43 | I | 98 | Very high | 92.2 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55 | -45.6 | -178 | -64.9 | 176.2 | 0 | 0 | 0 | 111.8 | E45 I46 I47 N70 I100 W129 | I43-E45 PolarHBondContact O-N 3.45Å; I43-I46 PolarHBondContact O-N 3Å; I43-I47 HydrophobicContact CG2-CD1 3.87Å; I43-I47 VanDerWaalsContact O-CG1 3.3Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.26Å; I43-N70 HydrophobicContact CG2-CB 3.76Å; I43-I100 HydrophobicContact CB-CD1 4.39Å; I43-I100 HydrophobicContact CG2-CD1 3.66Å; I43-W129 HydrophobicContact CD1-CD2 4.43Å; I43-W129 HydrophobicContact CD1-CG 4.2Å; I43-W129 HydrophobicContact CG1-CZ2 4.32Å |
| 44 | T | 98.1 | Very high | 94.4 | Very high | 23 Ų | 23 | 52.1 Ų | 52.1 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 179.6 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | N42 I47 Q48 N70 | N42-T44 VanDerWaalsContact C-N 3.31Å; N42-T44 PolarHBondContact O-N 3.21Å; N42-T44 WeakPolarHBondContact OD1-CA 3.25Å; N42-T44 WeakPolarHBondContact OD1-CB 3.18Å; N42-T44 PolarHBondContact OD1-N 3.08Å; T44-I47 PolarHBondContact O-N 3.03Å; T44-Q48 WeakPolarHBondContact O-CB 3.37Å; T44-Q48 VanDerWaalsContact O-CG 3.27Å; T44-Q48 WeakPolarHBondContact O-CG 3.42Å; T44-Q48 PolarHBondContact O-N 3.31Å; T44-N70 PolarHBondContact OG1-ND2 3.19Å; T44-N70 VanDerWaalsContact OG1-ND2 3.16Å |
| 45 | E | 98.4 | Very high | 95.7 | Very high | 85 Ų | 85 | 43.9 Ų | 43.9 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.1 | -39.2 | 177.1 | -71.2 | 168.5 | 155.1 | 0 | 0 | 112 | M41 N42 I43 Q48 R49 | M41-E45 VanDerWaalsContact CA-OE2 3.29Å; M41-E45 WeakPolarHBondContact CA-OE2 3.26Å; M41-E45 HydrophobicContact CB-CB 3.73Å; M41-E45 HydrophobicContact CG-CB 3.88Å; M41-E45 HydrophobicContact SD-CB 4.36Å; N42-E45 PolarHBondContact N-OE2 2.95Å; N42-E45 PolarHBondContact ND2-OE2 2.94Å; N42-E45 VanDerWaalsContact ND2-OE2 3.11Å; N42-E45 PolarHBondContact O-N 2.88Å; N42-E45 VanDerWaalsContact O-N 3.16Å; N42-E45 PolarHBondContact OD1-N 2.97Å; I43-E45 PolarHBondContact O-N 3.45Å; E45-Q48 PolarHBondContact O-N 3.38Å; E45-R49 VanDerWaalsContact O-CB 3.24Å; E45-R49 WeakPolarHBondContact O-CB 3.27Å; E45-R49 PolarHBondContact O-N 3.32Å |
| 46 | I | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 174.8 | -65 | 168.9 | 0 | 0 | 0 | 110.1 | E38 M41 N42 I43 Q48 R49 W50 I100 Y110 | E38-I46 HydrophobicContact CB-CG1 4.31Å; E38-I46 HydrophobicContact CG-CG1 4.24Å; E38-I46 HydrophobicContact CG-CG2 4.43Å; M41-I46 HydrophobicContact CB-CD1 4.48Å; M41-I46 HydrophobicContact CB-CG1 3.65Å; N42-I46 WeakPolarHBondContact O-CG1 3.14Å; N42-I46 PolarHBondContact O-N 3.46Å; I43-I46 PolarHBondContact O-N 3Å; I46-Q48 PolarHBondContact O-N 2.99Å; I46-R49 WeakPolarHBondContact O-CB 3.33Å; I46-R49 PolarHBondContact O-N 2.96Å; I46-W50 VanDerWaalsContact O-CD1 3.27Å; I46-W50 PolarHBondContact O-N 2.73Å; I46-I100 HydrophobicContact CB-CD1 3.99Å; I46-I100 HydrophobicContact CG2-CD1 3.81Å; I46-I100 HydrophobicContact CG2-CG1 4.26Å; I46-Y110 PolarHBondContact O-OH 3.07Å |
| 47 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -48.7 | 178.3 | -66 | 164.7 | 0 | 0 | 0 | 110.8 | I43 T44 R49 W50 Y52 P53 N70 I72 I100 Y110 | I43-I47 HydrophobicContact CG2-CD1 3.87Å; I43-I47 VanDerWaalsContact O-CG1 3.3Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.26Å; T44-I47 PolarHBondContact O-N 3.03Å; I47-R49 PolarHBondContact O-N 2.75Å; I47-W50 PolarHBondContact O-N 2.73Å; I47-Y52 PolarHBondContact O-N 3.23Å; I47-P53 WeakPolarHBondContact CG2-O 3.28Å; I47-N70 HydrophobicContact CD1-CB 4.44Å; I47-I72 HydrophobicContact CD1-CD1 4.19Å; I47-I72 HydrophobicContact CD1-CG1 3.87Å; I47-I72 HydrophobicContact CG1-CD1 4.12Å; I47-I72 HydrophobicContact CG1-CG1 4.22Å; I47-I72 HydrophobicContact CG2-CD1 4.22Å; I47-I72 HydrophobicContact CG2-CG1 3.93Å; I47-I100 HydrophobicContact CD1-CD1 4.16Å; I47-I100 HydrophobicContact CG1-CD1 3.65Å; I47-Y110 WeakPolarHBondContact CA-OH 3.21Å; I47-Y110 HydrophobicContact CG1-CE1 4.46Å; I47-Y110 HydrophobicContact CG2-CE1 4.49Å |
| 48 | Q | 98.4 | Very high | 97.2 | Very high | 108 Ų | 108 | 48.4 Ų | 48.4 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.5 | -34.5 | -178.3 | -71.9 | 175.5 | -5.1 | 0 | 0 | 112.9 | T44 E45 I46 W50 G51 | T44-Q48 WeakPolarHBondContact O-CB 3.37Å; T44-Q48 VanDerWaalsContact O-CG 3.27Å; T44-Q48 WeakPolarHBondContact O-CG 3.42Å; T44-Q48 PolarHBondContact O-N 3.31Å; E45-Q48 PolarHBondContact O-N 3.38Å; I46-Q48 PolarHBondContact O-N 2.99Å; Q48-W50 PolarHBondContact O-N 2.85Å; Q48-G51 WeakPolarHBondContact O-CA 3.3Å; Q48-G51 PolarHBondContact O-N 2.83Å |
| 49 | R | 97.3 | Very high | 97.4 | Very high | 104 Ų | 104 | 48.7 Ų | 48.7 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.2 | -39.3 | 174.8 | 171.4 | -171.6 | 178.2 | 75 | -2.1 | 111.9 | D36 P37 E38 M41 E45 I46 I47 G51 | D36-R49 IonicContact OD1-NH2 3.74Å; P37-R49 VanDerWaalsContact CB-NH1 3.28Å; P37-R49 VanDerWaalsContact CD-NH2 3.31Å; P37-R49 VanDerWaalsContact CG-NH1 3.35Å; E38-R49 VanDerWaalsContact CG-CD 3.43Å; E38-R49 IonicContact OE1-NE 2.88Å; E38-R49 PolarHBondContact OE1-NE 3.17Å; M41-R49 HydrophobicContact SD-CB 4.14Å; M41-R49 HydrophobicContact SD-CG 4.4Å; E45-R49 VanDerWaalsContact O-CB 3.24Å; E45-R49 WeakPolarHBondContact O-CB 3.27Å; E45-R49 PolarHBondContact O-N 3.32Å; I46-R49 WeakPolarHBondContact O-CB 3.33Å; I46-R49 PolarHBondContact O-N 2.96Å; I47-R49 PolarHBondContact O-N 2.75Å; R49-G51 PolarHBondContact O-N 2.91Å |
| 50 | W | 98 | Very high | 97.8 | Very high | 71 Ų | 71 | 52.8 Ų | 52.8 | 27% | 0.269 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 4 | 177.7 | -70.1 | 110.8 | 0 | 0 | 0 | 113.6 | E38 I46 I47 Q48 Y52 L103 P104 Y110 | E38-W50 VanDerWaalsContact OE1-CZ2 3.26Å; E38-W50 WeakPolarHBondContact OE1-CZ2 3.38Å; E38-W50 PolarHBondContact OE1-NE1 3.23Å; I46-W50 VanDerWaalsContact O-CD1 3.27Å; I46-W50 PolarHBondContact O-N 2.73Å; I47-W50 PolarHBondContact O-N 2.73Å; Q48-W50 PolarHBondContact O-N 2.85Å; W50-Y52 HydrophobicContact CB-CD2 3.88Å; W50-Y52 HydrophobicContact CB-CE2 4.12Å; W50-Y52 WeakPolarHBondContact O-CD2 3.32Å; W50-L103 HydrophobicContact CH2-CD2 3.37Å; W50-L103 HydrophobicContact CZ2-CD2 3.64Å; W50-L103 HydrophobicContact CZ3-CD2 4.31Å; W50-P104 HydrophobicContact CB-CG 3.92Å; W50-P104 HydrophobicContact CD2-CG 3.58Å; W50-P104 VanDerWaalsContact CE3-CD 3.48Å; W50-P104 HydrophobicContact CE3-CG 3.45Å; W50-P104 VanDerWaalsContact CE3-CG 3.45Å; W50-P104 HydrophobicContact CG-CG 3.79Å; W50-P104 HydrophobicContact CZ3-CG 4.2Å; W50-Y110 HydrophobicContact CB-CE1 4.36Å; W50-Y110 AromaticContact CD1-CZ 3.84Å; W50-Y110 HydrophobicContact CG-CE2 4.46Å |
| 51 | G | 97.9 | Very high | 98.1 | Very high | 52 Ų | 52 | 48.5 Ų | 48.5 | 54% | 0.536 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | 4.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q48 R49 L76 | Q48-G51 WeakPolarHBondContact O-CA 3.3Å; Q48-G51 PolarHBondContact O-N 2.83Å; R49-G51 PolarHBondContact O-N 2.91Å; G51-L76 WeakPolarHBondContact O-CD2 3.48Å |
| 52 | Y | 98.4 | Very high | 98.2 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | trans | -82.3 | 148.6 | 180 | -70 | -100.7 | 0 | 0 | 0 | 111 | I47 W50 I72 L76 P104 Y110 A113 D114 | I47-Y52 PolarHBondContact O-N 3.23Å; W50-Y52 HydrophobicContact CB-CD2 3.88Å; W50-Y52 HydrophobicContact CB-CE2 4.12Å; W50-Y52 WeakPolarHBondContact O-CD2 3.32Å; Y52-I72 HydrophobicContact CD1-CG2 3.96Å; Y52-I72 HydrophobicContact CG-CG2 4.4Å; Y52-L76 HydrophobicContact CD1-CD2 4.22Å; Y52-L76 HydrophobicContact CD1-CG 4.2Å; Y52-L76 HydrophobicContact CD2-CD2 3.93Å; Y52-L76 HydrophobicContact CD2-CG 4.22Å; Y52-L76 HydrophobicContact CE1-CD2 4.34Å; Y52-L76 HydrophobicContact CE1-CG 3.83Å; Y52-L76 HydrophobicContact CE2-CD1 3.89Å; Y52-L76 HydrophobicContact CE2-CD2 4.04Å; Y52-L76 HydrophobicContact CE2-CG 3.83Å; Y52-L76 HydrophobicContact CG-CD2 4.01Å; Y52-L76 HydrophobicContact CG-CG 4.38Å; Y52-P104 HydrophobicContact CE2-CB 3.98Å; Y52-P104 HydrophobicContact CE2-CG 4.15Å; Y52-Y110 AromaticContact CD1-CD1 3.92Å; Y52-Y110 HydrophobicContact CD1-CD1 3.92Å; Y52-Y110 AromaticContact CD2-CD1 3.41Å; Y52-Y110 HydrophobicContact CD2-CD1 3.41Å; Y52-Y110 VanDerWaalsContact CD2-CD1 3.41Å; Y52-Y110 AromaticContact CD2-CE1 3.56Å; Y52-Y110 HydrophobicContact CD2-CE1 3.56Å; Y52-Y110 HydrophobicContact CD2-CG 4.37Å; Y52-Y110 AromaticContact CE1-CD1 3.94Å; Y52-Y110 HydrophobicContact CE1-CD1 3.94Å; Y52-Y110 AromaticContact CE2-CD1 3.45Å; Y52-Y110 HydrophobicContact CE2-CD1 3.45Å; Y52-Y110 VanDerWaalsContact CE2-CD1 3.45Å; Y52-Y110 AromaticContact CE2-CE1 3.99Å; Y52-Y110 HydrophobicContact CE2-CE1 3.99Å; Y52-Y110 AromaticContact CE2-CG 3.98Å; Y52-Y110 HydrophobicContact CE2-CG 3.98Å; Y52-Y110 AromaticContact CG-CD1 3.67Å; Y52-Y110 HydrophobicContact CG-CD1 3.67Å; Y52-Y110 AromaticContact CG-CE1 3.91Å; Y52-Y110 HydrophobicContact CG-CE1 3.91Å; Y52-Y110 AromaticContact CZ-CD1 3.73Å; Y52-A113 HydrophobicContact CD1-CB 4.28Å; Y52-A113 HydrophobicContact CE1-CB 4.26Å; Y52-D114 WeakPolarHBondContact CE1-OD1 3.25Å; Y52-D114 PolarHBondContact OH-OD2 3.2Å | ||
| 53 | P | 97.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 23% | 0.234 | 27% | 0.27 | C | S | . | . | trans | -64.4 | 140.2 | 168.7 | 30.5 | -36.7 | 0 | 0 | 0 | 109.9 | I47 P73 H74 | I47-P53 WeakPolarHBondContact CG2-O 3.28Å; P53-P73 HydrophobicContact CB-CG 3.78Å; P53-P73 HydrophobicContact CG-CG 3.78Å; P53-H74 VanDerWaalsContact CD-O 3.25Å; P53-H74 WeakPolarHBondContact CD-O 3.31Å; P53-H74 WeakPolarHBondContact CG-O 3.41Å | ||
| 54 | S | 98.1 | Very high | 98.3 | Very high | 22 Ų | 22 | 54 Ų | 54 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | trans | -132.1 | 130.9 | 178.2 | -168.4 | 0 | 0 | 0 | 0 | 110.1 | R71 | S54-R71 WeakPolarHBondContact CA-O 3.46Š| ||
| 55 | E | 98.4 | Very high | 98.4 | Very high | 70 Ų | 70 | 53.2 Ų | 53.2 | 33% | 0.327 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 152.5 | 168 | -58.6 | 172.1 | -167.6 | 0 | 0 | 109.7 | H57 N70 R71 | E55-H57 IonicContact OE2-CE1 2.75Å; E55-H57 IonicContact OE2-NE2 2.73Å; E55-H57 PolarHBondContact OE2-NE2 3.38Å; E55-N70 CarbonylContact O-C 3.5Å; E55-N70 WeakPolarHBondContact O-CA 3.44Å; E55-R71 HydrophobicContact CB-CB 4.22Å; E55-R71 PolarHBondContact N-O 2.89Å; E55-R71 PolarHBondContact O-N 2.79Å; E55-R71 IonicContact OE1-NH1 3.31Å; E55-R71 PolarHBondContact OE1-NH1 2.78Å; E55-R71 VanDerWaalsContact OE2-CD 3.25Å; E55-R71 WeakPolarHBondContact OE2-CD 3.44Å; E55-R71 IonicContact OE2-CZ 3.46Å; E55-R71 IonicContact OE2-NE 3.44Å; E55-R71 IonicContact OE2-NH1 2.75Å; E55-R71 PolarHBondContact OE2-NH1 3.42Å |
| 56 | E | 98.2 | Very high | 98.4 | Very high | 105 Ų | 105 | 50.8 Ų | 50.8 | 49% | 0.491 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.4 | 174.1 | -172.2 | 173.2 | 107 | 0 | 0 | 108.9 | T68 | E56-T68 HydrophobicContact CG-CG2 3.37Å |
| 57 | H | 98.6 | Very high | 98.4 | Very high | 39 Ų | 39 | 50.9 Ų | 50.9 | 18% | 0.181 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 133.8 | -176.9 | -65.9 | -110.5 | 0 | 0 | 0 | 109.5 | E55 T68 I69 W120 H162 | E55-H57 IonicContact OE2-CE1 2.75Å; E55-H57 IonicContact OE2-NE2 2.73Å; E55-H57 PolarHBondContact OE2-NE2 3.38Å; H57-T68 WeakPolarHBondContact O-CA 3.18Å; H57-I69 HydrophobicContact CB-CD1 4.37Å; H57-I69 HydrophobicContact CB-CG1 3.78Å; H57-I69 PolarHBondContact N-O 2.84Å; H57-I69 PolarHBondContact O-N 2.85Å; H57-W120 HydrophobicContact CB-CZ3 4.36Å; H57-W120 AromaticContact CD2-CZ3 3.67Å; H57-W120 AromaticContact CE1-CH2 3.66Å; H57-W120 AromaticContact CG-CZ3 3.76Å; H57-W120 AromaticContact ND1-CH2 3.92Å; H57-W120 AromaticContact ND1-CZ3 3.95Å; H57-W120 AromaticContact NE2-CH2 3.74Å; H57-W120 AromaticContact NE2-CZ3 3.85Å; H57-H162 AromaticContact CG-NE2 3.64Å; H57-H162 AromaticContact ND1-CE1 3.88Å; H57-H162 AromaticContact ND1-NE2 3.14Å; H57-H162 PolarHBondContact ND1-NE2 2.91Å; H57-H162 VanDerWaalsContact ND1-NE2 3.14Å |
| 58 | E | 98.6 | Very high | 98.4 | Very high | 105 Ų | 105 | 51.2 Ų | 51.2 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 125.3 | 170 | -69.7 | -168.2 | 145 | 0 | 0 | 109.8 | I66 L67 K132 | E58-I66 HydrophobicContact CB-CG2 3.9Å; E58-I66 HydrophobicContact CG-CG2 4.14Å; E58-L67 CarbonylContact C-O 3.36Å; E58-L67 WeakPolarHBondContact CA-O 3.48Å; E58-K132 IonicContact OE1-NZ 3.48Å; E58-K132 PolarHBondContact OE1-NZ 3.07Å |
| 59 | V | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124 | -179.3 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | I66 L67 I69 A158 V159 H162 | V59-I66 WeakPolarHBondContact O-CA 3.4Å; V59-L67 HydrophobicContact CB-CB 4.45Å; V59-L67 PolarHBondContact N-O 3.08Å; V59-L67 PolarHBondContact O-N 2.97Å; V59-I69 HydrophobicContact CG2-CD1 3.66Å; V59-I69 HydrophobicContact CG2-CG1 4.06Å; V59-A158 HydrophobicContact CG1-CB 3.85Å; V59-V159 HydrophobicContact CB-CG2 4.47Å; V59-V159 HydrophobicContact CG1-CG2 4.2Å; V59-H162 HydrophobicContact CG1-CB 4.16Å; V59-H162 HydrophobicContact CG2-CB 3.88Å |
| 60 | L | 98.8 | Very high | 98.5 | Very high | 88 Ų | 88 | 41.2 Ų | 41.2 | 46% | 0.461 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.4 | 177.5 | 176.9 | 66.6 | 0 | 0 | 0 | 110.5 | Y65 I66 Q134 | L60-Y65 WeakPolarHBondContact CA-O 3.37Å; L60-I66 HydrophobicContact CD1-CG1 4.13Å; L60-Q134 HydrophobicContact CD1-CG 3.64Å |
| 61 | T | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | trans | -81.1 | 159.5 | 171.3 | 70.9 | 0 | 0 | 0 | 0 | 111 | D63 G64 Y65 L67 D155 A158 | T61-D63 WeakPolarHBondContact CB-OD1 3.3Å; T61-D63 PolarHBondContact O-N 2.88Å; T61-D63 VanDerWaalsContact O-N 3.17Å; T61-D63 PolarHBondContact OG1-OD1 2.93Å; T61-G64 PolarHBondContact O-N 2.88Å; T61-G64 PolarHBondContact OG1-N 3.33Å; T61-Y65 PolarHBondContact N-O 3.3Å; T61-Y65 WeakPolarHBondContact OG1-CB 3.4Å; T61-Y65 PolarHBondContact OG1-N 3.5Å; T61-Y65 PolarHBondContact OG1-O 2.92Å; T61-L67 HydrophobicContact CG2-CD1 3.7Å; T61-L67 HydrophobicContact CG2-CD2 4.36Å; T61-L67 HydrophobicContact CG2-CG 3.89Å; T61-D155 WeakPolarHBondContact CG2-OD1 3.48Å; T61-A158 HydrophobicContact CG2-CB 4.29Å | ||
| 62 | E | 98.3 | Very high | 98.6 | Very high | 161 Ų | 161 | 37.3 Ų | 37.3 | 75% | 0.752 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27 | 179 | 59.5 | 165.4 | -157.6 | 0 | 0 | 113.9 | K154 | E62-K154 HydrophobicContact CG-CB 4.27Å; E62-K154 HydrophobicContact CG-CD 4.2Å; E62-K154 HydrophobicContact CG-CG 4.11Å; E62-K154 WeakPolarHBondContact OE1-CG 3.47Å |
| 63 | D | 98.5 | Very high | 98.5 | Very high | 45 Ų | 45 | 37.7 Ų | 37.7 | 24% | 0.241 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 7 | 178.9 | 65.4 | -24.3 | 0 | 0 | 0 | 113.8 | T61 R125 H133 K154 | T61-D63 WeakPolarHBondContact CB-OD1 3.3Å; T61-D63 PolarHBondContact O-N 2.88Å; T61-D63 VanDerWaalsContact O-N 3.17Å; T61-D63 PolarHBondContact OG1-OD1 2.93Å; D63-R125 IonicContact OD1-CZ 3.32Å; D63-R125 IonicContact OD1-NH1 2.71Å; D63-R125 IonicContact OD1-NH2 3.52Å; D63-R125 PolarHBondContact OD1-NH2 3.05Å; D63-R125 IonicContact OD2-CZ 3.24Å; D63-R125 IonicContact OD2-NH1 3.43Å; D63-R125 PolarHBondContact OD2-NH1 3.23Å; D63-R125 IonicContact OD2-NH2 3.92Å; D63-R125 PolarHBondContact OD2-NH2 2.86Å; D63-H133 PolarHBondContact O-CE1 3.39Å; D63-H133 PolarHBondContact O-NE2 3.02Å; D63-K154 HydrophobicContact CB-CD 3.91Å; D63-K154 WeakPolarHBondContact OD2-CD 3.46Å; D63-K154 IonicContact OD2-NZ 3.4Å; D63-K154 PolarHBondContact OD2-NZ 3Å |
| 64 | G | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 98.7 | 2.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116 | T61 H133 Q134 | T61-G64 PolarHBondContact O-N 2.88Å; T61-G64 PolarHBondContact OG1-N 3.33Å; G64-H133 CarbonylContact O-C 3.59Å; G64-H133 VanDerWaalsContact O-CA 3.24Å; G64-H133 WeakPolarHBondContact O-CA 3.22Å; G64-H133 VanDerWaalsContact O-CG 3.27Å; G64-H133 PolarHBondContact O-ND1 2.96Å; G64-Q134 PolarHBondContact O-N 2.79Å |
| 65 | Y | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 144.1 | 170.8 | -71.2 | -101.2 | 0 | 0 | 0 | 110.2 | L60 T61 R125 H133 F143 F146 | L60-Y65 WeakPolarHBondContact CA-O 3.37Å; T61-Y65 PolarHBondContact N-O 3.3Å; T61-Y65 WeakPolarHBondContact OG1-CB 3.4Å; T61-Y65 PolarHBondContact OG1-N 3.5Å; T61-Y65 PolarHBondContact OG1-O 2.92Å; Y65-R125 HydrophobicContact CD1-CB 3.68Å; Y65-R125 VanDerWaalsContact CD2-NH1 3.35Å; Y65-R125 HydrophobicContact CE1-CB 4.08Å; Y65-R125 HydrophobicContact CG-CB 4.15Å; Y65-H133 AromaticContact CD2-CD2 3.6Å; Y65-H133 AromaticContact CD2-NE2 3.87Å; Y65-H133 AromaticContact CE2-CD2 3.65Å; Y65-H133 AromaticContact CE2-NE2 3.81Å; Y65-H133 AromaticContact CG-CD2 3.83Å; Y65-H133 AromaticContact CZ-CD2 3.94Å; Y65-F143 HydrophobicContact CD1-CE2 4.37Å; Y65-F143 HydrophobicContact CD1-CZ 4.24Å; Y65-F143 HydrophobicContact CE1-CD2 4.43Å; Y65-F143 HydrophobicContact CE1-CE1 4.23Å; Y65-F143 HydrophobicContact CE1-CE2 4.11Å; Y65-F143 AromaticContact CE1-CZ 3.96Å; Y65-F143 HydrophobicContact CE1-CZ 3.96Å; Y65-F143 PolarHBondContact OH-O 3.29Å; Y65-F146 HydrophobicContact CE1-CD1 4.17Å; Y65-F146 HydrophobicContact CE1-CE1 4.27Å; Y65-F146 WeakPolarHBondContact OH-CD1 3.44Å |
| 66 | I | 98.9 | Very high | 98.2 | Very high | 35 Ų | 35 | 39.3 Ų | 39.3 | 18% | 0.179 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 109.9 | 175.1 | -58.2 | 164.8 | 0 | 0 | 0 | 106.9 | E58 V59 L60 K132 Q134 | E58-I66 HydrophobicContact CB-CG2 3.9Å; E58-I66 HydrophobicContact CG-CG2 4.14Å; V59-I66 WeakPolarHBondContact O-CA 3.4Å; L60-I66 HydrophobicContact CD1-CG1 4.13Å; I66-K132 HydrophobicContact CB-CB 3.86Å; I66-K132 HydrophobicContact CD1-CB 4.38Å; I66-K132 HydrophobicContact CG2-CB 4.5Å; I66-K132 PolarHBondContact N-O 3.39Å; I66-Q134 HydrophobicContact CD1-CG 4.46Å |
| 67 | L | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.3 | -178.4 | -48 | 177.6 | 0 | 0 | 0 | 109.3 | E58 V59 T61 R125 S130 D155 V159 | E58-L67 CarbonylContact C-O 3.36Å; E58-L67 WeakPolarHBondContact CA-O 3.48Å; V59-L67 HydrophobicContact CB-CB 4.45Å; V59-L67 PolarHBondContact N-O 3.08Å; V59-L67 PolarHBondContact O-N 2.97Å; T61-L67 HydrophobicContact CG2-CD1 3.7Å; T61-L67 HydrophobicContact CG2-CD2 4.36Å; T61-L67 HydrophobicContact CG2-CG 3.89Å; L67-R125 HydrophobicContact CD2-CB 3.96Å; L67-S130 WeakPolarHBondContact CA-OG 3.38Å; L67-D155 HydrophobicContact CD1-CB 3.59Å; L67-V159 HydrophobicContact CD1-CG2 3.81Å |
| 68 | T | 98.6 | Very high | 96.6 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.043 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 113.3 | 173.2 | -64.8 | 0 | 0 | 0 | 0 | 108.8 | E56 H57 N123 W129 S130 | E56-T68 HydrophobicContact CG-CG2 3.37Å; H57-T68 WeakPolarHBondContact O-CA 3.18Å; T68-N123 WeakPolarHBondContact O-CB 3.37Å; T68-N123 PolarHBondContact O-ND2 2.92Å; T68-W129 WeakPolarHBondContact CB-O 3.34Å; T68-W129 PolarHBondContact OG1-O 2.91Å; T68-S130 PolarHBondContact N-OG 3.16Å |
| 69 | I | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 148.3 | 176.4 | 68.5 | 177.1 | 0 | 0 | 0 | 110.5 | H57 V59 W120 I121 V159 | H57-I69 HydrophobicContact CB-CD1 4.37Å; H57-I69 HydrophobicContact CB-CG1 3.78Å; H57-I69 PolarHBondContact N-O 2.84Å; H57-I69 PolarHBondContact O-N 2.85Å; V59-I69 HydrophobicContact CG2-CD1 3.66Å; V59-I69 HydrophobicContact CG2-CG1 4.06Å; I69-W120 HydrophobicContact CD1-CE3 3.75Å; I69-W120 HydrophobicContact CD1-CZ3 3.9Å; I69-W120 HydrophobicContact CG1-CE3 4.34Å; I69-W120 HydrophobicContact CG1-CZ3 4.44Å; I69-I121 WeakPolarHBondContact CA-O 3.25Å; I69-I121 WeakPolarHBondContact CB-O 3.46Å; I69-V159 HydrophobicContact CD1-CG1 4.02Å; I69-V159 HydrophobicContact CG2-CG1 4.39Å; I69-V159 HydrophobicContact CG2-CG2 4.17Å |
| 70 | N | 98.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.011 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 155 | -178 | -59.8 | 82.5 | 0 | 0 | 0 | 110.2 | I43 T44 I47 E55 W120 I121 | I43-N70 HydrophobicContact CG2-CB 3.76Å; T44-N70 PolarHBondContact OG1-ND2 3.19Å; T44-N70 VanDerWaalsContact OG1-ND2 3.16Å; I47-N70 HydrophobicContact CD1-CB 4.44Å; E55-N70 CarbonylContact O-C 3.5Å; E55-N70 WeakPolarHBondContact O-CA 3.44Å; N70-W120 CarbonylContact O-C 3.4Å; N70-I121 HydrophobicContact CB-CB 4.26Å; N70-I121 PolarHBondContact N-O 3.24Å; N70-I121 PolarHBondContact O-N 3.08Å |
| 71 | R | 98.8 | Very high | 93 | Very high | 42 Ų | 42 | 48 Ų | 48 | 16% | 0.158 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 134.9 | 179.6 | -176.5 | -160.2 | -175.8 | -161.4 | 4.5 | 111.4 | S54 E55 P73 D118 V119 W120 | S54-R71 WeakPolarHBondContact CA-O 3.46Å; E55-R71 HydrophobicContact CB-CB 4.22Å; E55-R71 PolarHBondContact N-O 2.89Å; E55-R71 PolarHBondContact O-N 2.79Å; E55-R71 IonicContact OE1-NH1 3.31Å; E55-R71 PolarHBondContact OE1-NH1 2.78Å; E55-R71 VanDerWaalsContact OE2-CD 3.25Å; E55-R71 WeakPolarHBondContact OE2-CD 3.44Å; E55-R71 IonicContact OE2-CZ 3.46Å; E55-R71 IonicContact OE2-NE 3.44Å; E55-R71 IonicContact OE2-NH1 2.75Å; E55-R71 PolarHBondContact OE2-NH1 3.42Å; R71-P73 WeakPolarHBondContact O-CD 3.22Å; R71-D118 IonicContact CZ-OD1 3.7Å; R71-D118 IonicContact CZ-OD2 2.68Å; R71-D118 IonicContact NE-OD1 3.93Å; R71-D118 PolarHBondContact NE-OD1 2.76Å; R71-D118 IonicContact NE-OD2 2.9Å; R71-D118 PolarHBondContact NE-OD2 2.86Å; R71-D118 VanDerWaalsContact NH2-CG 3.31Å; R71-D118 IonicContact NH2-OD1 3.5Å; R71-D118 PolarHBondContact NH2-OD1 3.27Å; R71-D118 IonicContact NH2-OD2 2.91Å; R71-D118 PolarHBondContact NH2-OD2 3.46Å; R71-V119 CarbonylContact C-O 3.58Å; R71-V119 WeakPolarHBondContact CA-O 3.2Å; R71-V119 WeakPolarHBondContact CG-O 3.24Å; R71-W120 HydrophobicContact CB-CD2 4.12Å; R71-W120 HydrophobicContact CB-CE3 3.99Å; R71-W120 HydrophobicContact CB-CZ3 4.27Å; R71-W120 VanDerWaalsContact CD-CZ2 3.43Å; R71-W120 HydrophobicContact CG-CD2 3.82Å; R71-W120 HydrophobicContact CG-CE3 4.17Å; R71-W120 HydrophobicContact CG-CG 4.25Å; R71-W120 HydrophobicContact CG-CH2 4.45Å; R71-W120 HydrophobicContact CG-CZ2 4.09Å; R71-W120 HydrophobicContact CG-CZ3 4.47Å |
| 72 | I | 98.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 93.5 | 168.3 | -50.3 | 175.6 | 0 | 0 | 0 | 107 | I47 Y52 H74 I100 Y110 A113 V119 I121 | I47-I72 HydrophobicContact CD1-CD1 4.19Å; I47-I72 HydrophobicContact CD1-CG1 3.87Å; I47-I72 HydrophobicContact CG1-CD1 4.12Å; I47-I72 HydrophobicContact CG1-CG1 4.22Å; I47-I72 HydrophobicContact CG2-CD1 4.22Å; I47-I72 HydrophobicContact CG2-CG1 3.93Å; Y52-I72 HydrophobicContact CD1-CG2 3.96Å; Y52-I72 HydrophobicContact CG-CG2 4.4Å; I72-H74 VanDerWaalsContact C-N 3.26Å; I72-H74 PolarHBondContact O-N 3.4Å; I72-I100 HydrophobicContact CD1-CG2 4.2Å; I72-Y110 HydrophobicContact CD1-CD1 4.02Å; I72-Y110 HydrophobicContact CD1-CE1 4.03Å; I72-A113 HydrophobicContact CB-CB 4.34Å; I72-A113 HydrophobicContact CG2-CB 3.62Å; I72-V119 HydrophobicContact CB-CB 4.23Å; I72-V119 PolarHBondContact N-O 3.32Å; I72-V119 PolarHBondContact O-N 3.2Å; I72-I121 HydrophobicContact CD1-CD1 4.25Å; I72-I121 HydrophobicContact CG1-CD1 4.5Å |
| 73 | P | 96.9 | Very high | 91.8 | Very high | 14 Ų | 14 | 48.7 Ų | 48.7 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | trans | -69.5 | -20.6 | -169.5 | 25.8 | -36 | 0 | 0 | 0 | 114.3 | P53 R71 R83 | P53-P73 HydrophobicContact CB-CG 3.78Å; P53-P73 HydrophobicContact CG-CG 3.78Å; R71-P73 WeakPolarHBondContact O-CD 3.22Å; P73-R83 WeakPolarHBondContact O-CD 3.47Å | ||
| 74 | H | 96.3 | Very high | 91.7 | Very high | 63 Ų | 63 | 47 Ų | 47 | 29% | 0.292 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -161.9 | 157.2 | 174.5 | 53.6 | -83.5 | 0 | 0 | 0 | 111.2 | P53 I72 | P53-H74 VanDerWaalsContact CD-O 3.25Å; P53-H74 WeakPolarHBondContact CD-O 3.31Å; P53-H74 WeakPolarHBondContact CG-O 3.41Å; I72-H74 VanDerWaalsContact C-N 3.26Å; I72-H74 PolarHBondContact O-N 3.4Å |
| 75 | G | 96.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | trans | -72.8 | -179.5 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | K77 A113 D114 | G75-K77 PolarHBondContact O-N 3.12Å; G75-A113 VanDerWaalsContact CA-C 3.48Å; G75-A113 WeakPolarHBondContact CA-O 3.5Å; G75-A113 PolarHBondContact N-O 3.14Å; G75-D114 VanDerWaalsContact CA-OD1 3.23Å; G75-D114 WeakPolarHBondContact CA-OD1 3.18Å | ||
| 76 | L | 95.1 | Very high | 91.7 | Very high | 99 Ų | 99 | 46.6 Ų | 46.6 | 52% | 0.518 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -66.7 | -26.4 | -175.9 | -62.7 | 178.1 | 0 | 0 | 0 | 113 | G51 Y52 D114 | G51-L76 WeakPolarHBondContact O-CD2 3.48Å; Y52-L76 HydrophobicContact CD1-CD2 4.22Å; Y52-L76 HydrophobicContact CD1-CG 4.2Å; Y52-L76 HydrophobicContact CD2-CD2 3.93Å; Y52-L76 HydrophobicContact CD2-CG 4.22Å; Y52-L76 HydrophobicContact CE1-CD2 4.34Å; Y52-L76 HydrophobicContact CE1-CG 3.83Å; Y52-L76 HydrophobicContact CE2-CD1 3.89Å; Y52-L76 HydrophobicContact CE2-CD2 4.04Å; Y52-L76 HydrophobicContact CE2-CG 3.83Å; Y52-L76 HydrophobicContact CG-CD2 4.01Å; Y52-L76 HydrophobicContact CG-CG 4.38Å; L76-D114 PolarHBondContact N-OD1 2.87Å |
| 77 | K | 89.1 | Confident | 91.7 | Very high | 174 Ų | 174 | 44.9 Ų | 44.9 | 76% | 0.757 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -96.5 | 119.4 | 174.5 | -67.5 | 179.3 | -177 | 172.5 | 0 | 109.1 | G75 T79 | G75-K77 PolarHBondContact O-N 3.12Å; K77-T79 PolarHBondContact O-N 2.85Å |
| 78 | H | 75.6 | Confident | 91.7 | Very high | 151 Ų | 151 | 44.9 Ų | 44.9 | 70% | 0.699 | 25% | 0.253 | S | S | * | . | trans | -65.3 | 110.2 | 178.2 | -172.5 | -72.6 | 0 | 0 | 0 | 111 | ||||
| 79 | T | 75.7 | Confident | 91.7 | Very high | 55 Ų | 55 | 45 Ų | 45 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | trans | -88.6 | 138.8 | 166.7 | 49.8 | 0 | 0 | 0 | 0 | 110.3 | K77 R83 | K77-T79 PolarHBondContact O-N 2.85Å; T79-R83 PolarHBondContact O-NH2 2.79Å; T79-R83 PolarHBondContact OG1-NE 2.82Å; T79-R83 PolarHBondContact OG1-NH2 3.24Å | ||
| 80 | A | 71.6 | Confident | 91.7 | Very high | 97 Ų | 97 | 45.2 Ų | 45.2 | 80% | 0.802 | 25% | 0.254 | S | S | * | . | trans | -85.1 | 142.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 81 | G | 72.9 | Confident | 91.6 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 113.4 | 170.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 82 | P | 79.9 | Confident | 91.4 | Very high | 132 Ų | 132 | 43.6 Ų | 43.6 | 86% | 0.857 | 25% | 0.249 | S | C | * | . | trans | -65.8 | 140 | 172.2 | 28.6 | -32.8 | 0 | 0 | 0 | 110.1 | ||||
| 83 | R | 92.3 | Very high | 91.1 | Very high | 47 Ų | 47 | 44 Ų | 44 | 18% | 0.177 | 25% | 0.251 | C | S | . | . | trans | -111 | 129 | -177.2 | -62 | -177.3 | 173.5 | 73 | 4.4 | 109.8 | P73 T79 G116 D118 Q169 | P73-R83 WeakPolarHBondContact O-CD 3.47Å; T79-R83 PolarHBondContact O-NH2 2.79Å; T79-R83 PolarHBondContact OG1-NE 2.82Å; T79-R83 PolarHBondContact OG1-NH2 3.24Å; R83-G116 WeakPolarHBondContact CB-O 3.38Å; R83-G116 WeakPolarHBondContact CD-O 3.47Å; R83-G116 WeakPolarHBondContact CG-O 3.39Å; R83-D118 HydrophobicContact CB-CB 3.98Å; R83-Q169 PolarHBondContact O-NE2 2.91Å | ||
| 84 | S | 95.8 | Very high | 90.9 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | trans | -63.8 | 137 | 173.7 | -72.2 | 0 | 0 | 0 | 0 | 111.3 | D118 H402 | S84-D118 PolarHBondContact O-N 3.36Å; S84-H402 PolarHBondContact OG-NE2 3.19Å; S84-H402 VanDerWaalsContact OG-NE2 3.14Å | ||
| 85 | A | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 134.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D118 I163 T167 Q169 I172 F173 | A85-D118 CarbonylContact C-O 3.55Å; A85-D118 VanDerWaalsContact CA-O 3.28Å; A85-D118 WeakPolarHBondContact CA-O 3.47Å; A85-I163 HydrophobicContact CB-CG2 3.95Å; A85-T167 HydrophobicContact CB-CG2 4.34Å; A85-Q169 VanDerWaalsContact N-NE2 3.17Å; A85-I172 HydrophobicContact CB-CB 4.23Å; A85-I172 HydrophobicContact CB-CG2 3.72Å; A85-F173 PolarHBondContact O-N 2.84Å |
| 86 | V | 98.9 | Very high | 91 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.2 | 174.4 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | L88 L112 Y117 D118 W120 F173 I175 L398 | V86-L88 HydrophobicContact CG1-CD2 3.93Å; V86-L112 HydrophobicContact CG1-CD1 3.9Å; V86-Y117 HydrophobicContact CG2-CD1 3.54Å; V86-Y117 HydrophobicContact CG2-CE1 4.38Å; V86-Y117 HydrophobicContact CG2-CG 3.77Å; V86-D118 PolarHBondContact N-O 3.36Å; V86-W120 PolarHBondContact O-N 2.9Å; V86-F173 HydrophobicContact CB-CB 4.4Å; V86-F173 HydrophobicContact CG1-CB 4.25Å; V86-F173 HydrophobicContact CG2-CB 4.05Å; V86-F173 HydrophobicContact CG2-CD2 4.14Å; V86-F173 HydrophobicContact CG2-CG 4.48Å; V86-I175 HydrophobicContact CG1-CD1 3.78Å; V86-I175 HydrophobicContact CG1-CG1 3.9Å; V86-L398 HydrophobicContact CG2-CD2 4.35Å |
| 87 | F | 98.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126.9 | 176.7 | -179.1 | -116 | 0 | 0 | 0 | 111.2 | Q89 W120 G122 L156 V159 I163 I172 F173 Y174 I175 | F87-Q89 HydrophobicContact CD1-CB 4.49Å; F87-Q89 HydrophobicContact CE1-CB 3.9Å; F87-Q89 HydrophobicContact CE1-CG 4.49Å; F87-Q89 HydrophobicContact CZ-CB 4.43Å; F87-Q89 VanDerWaalsContact CZ-OE1 3.29Å; F87-W120 CarbonylContact C-O 3.49Å; F87-W120 WeakPolarHBondContact CA-O 3.4Å; F87-W120 HydrophobicContact CD2-CB 3.96Å; F87-G122 VanDerWaalsContact CE2-CA 3.44Å; F87-L156 HydrophobicContact CD1-CD1 4.3Å; F87-L156 HydrophobicContact CE1-CD1 3.8Å; F87-V159 HydrophobicContact CD2-CG1 4.1Å; F87-V159 HydrophobicContact CE1-CG1 4.34Å; F87-V159 HydrophobicContact CE2-CG1 3.44Å; F87-V159 VanDerWaalsContact CE2-CG1 3.44Å; F87-V159 HydrophobicContact CZ-CB 4.49Å; F87-V159 HydrophobicContact CZ-CG1 3.58Å; F87-I163 HydrophobicContact CB-CD1 4.11Å; F87-I163 HydrophobicContact CD2-CD1 3.56Å; F87-I163 HydrophobicContact CE2-CD1 4.24Å; F87-I163 HydrophobicContact CG-CD1 4Å; F87-I172 HydrophobicContact CB-CD1 3.86Å; F87-F173 PolarHBondContact N-O 3.23Å; F87-Y174 AromaticContact CD1-CD2 3.58Å; F87-Y174 HydrophobicContact CD1-CD2 3.58Å; F87-Y174 AromaticContact CD1-CE2 3.52Å; F87-Y174 HydrophobicContact CD1-CE2 3.52Å; F87-Y174 HydrophobicContact CE1-CD2 4.25Å; F87-Y174 AromaticContact CE1-CE2 3.71Å; F87-Y174 HydrophobicContact CE1-CE2 3.71Å; F87-I175 PolarHBondContact O-N 3.07Å |
| 88 | L | 98.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 115.4 | -179 | -54.2 | -175.7 | 0 | 0 | 0 | 110.2 | V86 W99 L108 L112 V119 W120 I121 G122 I175 | V86-L88 HydrophobicContact CG1-CD2 3.93Å; L88-W99 HydrophobicContact CB-CD2 3.89Å; L88-W99 HydrophobicContact CB-CG 3.85Å; L88-W99 HydrophobicContact CB-CZ2 4.28Å; L88-W99 HydrophobicContact CD1-CB 3.79Å; L88-W99 HydrophobicContact CD1-CD2 4.02Å; L88-W99 HydrophobicContact CD1-CE3 4.38Å; L88-W99 HydrophobicContact CD1-CG 3.75Å; L88-W99 HydrophobicContact CG-CD2 4.44Å; L88-W99 HydrophobicContact CG-CG 4.43Å; L88-L108 HydrophobicContact CD2-CD2 4.42Å; L88-L112 HydrophobicContact CD1-CD1 4.22Å; L88-L112 HydrophobicContact CD2-CD1 3.8Å; L88-L112 HydrophobicContact CG-CD1 4.48Å; L88-V119 HydrophobicContact CD1-CG1 3.65Å; L88-V119 HydrophobicContact CG-CG1 4.09Å; L88-W120 PolarHBondContact N-O 2.95Å; L88-I121 HydrophobicContact CD1-CG1 4.3Å; L88-G122 PolarHBondContact O-N 3.09Å; L88-I175 CarbonylContact C-O 3.53Å; L88-I175 WeakPolarHBondContact CA-O 3.43Å; L88-I175 HydrophobicContact CD2-CB 3.66Å; L88-I175 HydrophobicContact CD2-CD1 3.84Å; L88-I175 HydrophobicContact CD2-CG1 3.95Å; L88-I175 HydrophobicContact CD2-CG2 4.32Å |
| 89 | Q | 98.9 | Very high | 92.6 | Very high | 10 Ų | 10 | 20.7 Ų | 20.7 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.5 | -178.4 | -176.5 | 60.3 | 59.6 | 0 | 0 | 111.8 | F87 W99 S124 Y174 I175 G176 H177 | F87-Q89 HydrophobicContact CD1-CB 4.49Å; F87-Q89 HydrophobicContact CE1-CB 3.9Å; F87-Q89 HydrophobicContact CE1-CG 4.49Å; F87-Q89 HydrophobicContact CZ-CB 4.43Å; F87-Q89 VanDerWaalsContact CZ-OE1 3.29Å; Q89-W99 WeakPolarHBondContact O-CZ2 3.29Å; Q89-S124 PolarHBondContact NE2-OG 3.15Å; Q89-S124 VanDerWaalsContact NE2-OG 3.1Å; Q89-Y174 HydrophobicContact CB-CE1 4.34Å; Q89-Y174 HydrophobicContact CB-CE2 4.11Å; Q89-Y174 WeakPolarHBondContact CB-OH 3.2Å; Q89-Y174 VanDerWaalsContact CG-OH 3.25Å; Q89-Y174 WeakPolarHBondContact CG-OH 3.19Å; Q89-I175 PolarHBondContact N-O 3.19Å; Q89-G176 WeakPolarHBondContact O-CA 3.46Å; Q89-H177 PolarHBondContact O-N 3.47Å |
| 90 | H | 98.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | trans | -70.9 | 167.8 | 179.9 | 71.8 | 73.3 | 0 | 0 | 0 | 113.5 | A94 A95 G122 S124 N127 G180 | H90-A94 HydrophobicContact CB-CB 3.89Å; H90-A94 PolarHBondContact CE1-O 3.23Å; H90-A94 PolarHBondContact ND1-O 3.07Å; H90-A94 PolarHBondContact NE2-O 3.06Å; H90-A95 WeakPolarHBondContact CB-O 3.32Å; H90-A95 VanDerWaalsContact CD2-C 3.4Å; H90-A95 VanDerWaalsContact CD2-CA 3.5Å; H90-A95 WeakPolarHBondContact CD2-CA 3.32Å; H90-G122 PolarHBondContact CD2-O 3.37Å; H90-S124 PolarHBondContact NE2-N 3.42Å; H90-S124 VanDerWaalsContact NE2-N 3.12Å; H90-N127 PolarHBondContact NE2-ND2 3.09Å; H90-N127 VanDerWaalsContact NE2-ND2 3.15Å; H90-G180 WeakPolarHBondContact O-CA 3.25Å; H90-G180 PolarHBondContact O-N 3.19Å | ||
| 91 | G | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | trans | -87.1 | -164.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | A94 H177 | G91-A94 WeakPolarHBondContact O-CB 3.45Å; G91-A94 PolarHBondContact O-N 2.81Å; G91-H177 WeakPolarHBondContact CA-O 3.43Å; G91-H177 PolarHBondContact N-O 2.64Å | ||
| 92 | L | 94 | Very high | 95.9 | Very high | 10 Ų | 10 | 11.4 Ų | 11.4 | 5% | 0.052 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 137.1 | 178.9 | 177.3 | 56.1 | 0 | 0 | 0 | 111 | A94 Q179 M217 M297 W300 | L92-A94 PolarHBondContact O-N 3.28Å; L92-Q179 HydrophobicContact CB-CB 4.07Å; L92-M217 HydrophobicContact CD2-CE 3.18Å; L92-M217 HydrophobicContact CD2-SD 3.91Å; L92-M217 HydrophobicContact CG-CE 4.2Å; L92-M297 HydrophobicContact CD1-SD 4.08Å; L92-W300 HydrophobicContact CD2-CG 4.35Å |
| 93 | L | 91.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 8.3 Ų | 8.3 | 4% | 0.037 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 13.3 | -179.4 | -76.7 | 168.3 | 0 | 0 | 0 | 114.9 | F237 L238 L268 P289 A290 T292 | L93-F237 HydrophobicContact CD1-CD1 4.28Å; L93-F237 HydrophobicContact CD1-CE1 4.16Å; L93-F237 HydrophobicContact CD2-CD1 4.18Å; L93-F237 WeakPolarHBondContact CD2-O 3.31Å; L93-L238 HydrophobicContact CD1-CD1 4.24Å; L93-L238 HydrophobicContact CD2-CB 4.14Å; L93-L268 HydrophobicContact CD1-CD2 3.97Å; L93-P289 HydrophobicContact CB-CB 4.01Å; L93-P289 HydrophobicContact CD2-CB 4.09Å; L93-P289 HydrophobicContact CG-CB 4.45Å; L93-P289 CarbonylContact O-C 2.91Å; L93-P289 VanDerWaalsContact O-CA 3.25Å; L93-P289 WeakPolarHBondContact O-CA 3.36Å; L93-A290 PolarHBondContact O-N 3.03Å; L93-T292 HydrophobicContact CD2-CG2 3.45Å; L93-T292 VanDerWaalsContact CD2-CG2 3.45Å; L93-T292 HydrophobicContact CG-CG2 3.96Å |
| 94 | A | 94.3 | Very high | 97 | Very high | 4 Ų | 4 | 7.2 Ų | 7.2 | 3% | 0.033 | 4% | 0.041 | C | C | . | . | trans | -102 | -178.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H90 G91 L92 N98 N127 A290 | H90-A94 HydrophobicContact CB-CB 3.89Å; H90-A94 PolarHBondContact CE1-O 3.23Å; H90-A94 PolarHBondContact ND1-O 3.07Å; H90-A94 PolarHBondContact NE2-O 3.06Å; G91-A94 WeakPolarHBondContact O-CB 3.45Å; G91-A94 PolarHBondContact O-N 2.81Å; L92-A94 PolarHBondContact O-N 3.28Å; A94-N98 VanDerWaalsContact CB-ND2 3.27Å; A94-N98 WeakPolarHBondContact CB-ND2 3.48Å; A94-N127 PolarHBondContact O-ND2 3.47Å; A94-A290 WeakPolarHBondContact O-CB 3.32Å | ||
| 95 | A | 96.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | trans | -137.4 | 172.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | H90 S97 N98 A290 | H90-A95 WeakPolarHBondContact CB-O 3.32Å; H90-A95 VanDerWaalsContact CD2-C 3.4Å; H90-A95 VanDerWaalsContact CD2-CA 3.5Å; H90-A95 WeakPolarHBondContact CD2-CA 3.32Å; A95-S97 PolarHBondContact O-N 2.84Å; A95-S97 VanDerWaalsContact O-N 3.1Å; A95-N98 PolarHBondContact O-N 2.92Å; A95-N98 VanDerWaalsContact O-N 3.14Å; A95-A290 HydrophobicContact CB-CB 3.6Å | ||
| 96 | G | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -56.1 | -23 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N98 W99 I121 N123 | G96-N98 PolarHBondContact O-N 2.94Å; G96-N98 VanDerWaalsContact O-N 3.12Å; G96-W99 PolarHBondContact O-N 3.26Å; G96-I121 WeakPolarHBondContact O-CG2 3.43Å; G96-N123 PolarHBondContact N-OD1 3.03Å |
| 97 | S | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -58 | -22.5 | 175.3 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | A95 W99 I100 T101 | A95-S97 PolarHBondContact O-N 2.84Å; A95-S97 VanDerWaalsContact O-N 3.1Å; S97-W99 PolarHBondContact O-N 2.82Å; S97-I100 WeakPolarHBondContact O-CG1 3.38Å; S97-I100 PolarHBondContact O-N 2.94Å; S97-T101 WeakPolarHBondContact O-CB 3.2Å; S97-T101 WeakPolarHBondContact O-CG2 3.44Å; S97-T101 PolarHBondContact O-N 3.42Å; S97-T101 VanDerWaalsContact O-N 3.09Å; S97-T101 PolarHBondContact O-OG1 2.81Å |
| 98 | N | 96.9 | Very high | 97 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 3% | 0.027 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -53.6 | -30.9 | 176.3 | -78.6 | 18.7 | 0 | 0 | 0 | 113.1 | A94 A95 G96 I100 I381 | A94-N98 VanDerWaalsContact CB-ND2 3.27Å; A94-N98 WeakPolarHBondContact CB-ND2 3.48Å; A95-N98 PolarHBondContact O-N 2.92Å; A95-N98 VanDerWaalsContact O-N 3.14Å; G96-N98 PolarHBondContact O-N 2.94Å; G96-N98 VanDerWaalsContact O-N 3.12Å; N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 3.22Å; N98-I381 HydrophobicContact CB-CD1 4.11Å; N98-I381 HydrophobicContact CB-CG2 4.42Å; N98-I381 WeakPolarHBondContact ND2-CD1 3.2Å |
| 99 | W | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 2% | 0.015 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -84.5 | -4.3 | -175.7 | -54.8 | 110.7 | 0 | 0 | 0 | 114.5 | L88 Q89 G96 S97 S107 L108 G109 I175 H177 L204 I381 | L88-W99 HydrophobicContact CB-CD2 3.89Å; L88-W99 HydrophobicContact CB-CG 3.85Å; L88-W99 HydrophobicContact CB-CZ2 4.28Å; L88-W99 HydrophobicContact CD1-CB 3.79Å; L88-W99 HydrophobicContact CD1-CD2 4.02Å; L88-W99 HydrophobicContact CD1-CE3 4.38Å; L88-W99 HydrophobicContact CD1-CG 3.75Å; L88-W99 HydrophobicContact CG-CD2 4.44Å; L88-W99 HydrophobicContact CG-CG 4.43Å; Q89-W99 WeakPolarHBondContact O-CZ2 3.29Å; G96-W99 PolarHBondContact O-N 3.26Å; S97-W99 PolarHBondContact O-N 2.82Å; W99-S107 WeakPolarHBondContact O-CB 3.17Å; W99-L108 HydrophobicContact CE3-CB 4.17Å; W99-L108 HydrophobicContact CE3-CD2 4.01Å; W99-L108 HydrophobicContact CZ3-CD2 3.74Å; W99-G109 PolarHBondContact O-N 3.4Å; W99-I175 HydrophobicContact CH2-CG2 4.25Å; W99-H177 HydrophobicContact CH2-CB 3.75Å; W99-H177 HydrophobicContact CZ2-CB 4.01Å; W99-L204 HydrophobicContact CH2-CD1 4.02Å; W99-L204 HydrophobicContact CZ3-CD1 3.99Å; W99-I381 HydrophobicContact CE3-CG2 4.48Å; W99-I381 HydrophobicContact CH2-CG2 4.43Å; W99-I381 HydrophobicContact CZ3-CG2 4.15Å |
| 100 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.3 | 6.1 | -168.8 | 61.1 | 160.4 | 0 | 0 | 0 | 114.7 | I43 I46 I47 I72 S97 N98 N102 Y110 I121 | I43-I100 HydrophobicContact CB-CD1 4.39Å; I43-I100 HydrophobicContact CG2-CD1 3.66Å; I46-I100 HydrophobicContact CB-CD1 3.99Å; I46-I100 HydrophobicContact CG2-CD1 3.81Å; I46-I100 HydrophobicContact CG2-CG1 4.26Å; I47-I100 HydrophobicContact CD1-CD1 4.16Å; I47-I100 HydrophobicContact CG1-CD1 3.65Å; I72-I100 HydrophobicContact CD1-CG2 4.2Å; S97-I100 WeakPolarHBondContact O-CG1 3.38Å; S97-I100 PolarHBondContact O-N 2.94Å; N98-I100 VanDerWaalsContact C-N 3.32Å; N98-I100 PolarHBondContact O-N 3.22Å; I100-N102 VanDerWaalsContact C-N 3.29Å; I100-N102 PolarHBondContact O-N 2.95Å; I100-Y110 HydrophobicContact CB-CE2 3.75Å; I100-Y110 HydrophobicContact CG2-CD2 4.48Å; I100-Y110 HydrophobicContact CG2-CE1 4.28Å; I100-Y110 HydrophobicContact CG2-CE2 4.04Å; I100-I121 HydrophobicContact CG2-CD1 3.94Å |
| 101 | T | 95.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -87.1 | 3.9 | -175.5 | 35 | 0 | 0 | 0 | 0 | 114.1 | S97 R280 V283 H287 W382 | S97-T101 WeakPolarHBondContact O-CB 3.2Å; S97-T101 WeakPolarHBondContact O-CG2 3.44Å; S97-T101 PolarHBondContact O-N 3.42Å; S97-T101 VanDerWaalsContact O-N 3.09Å; S97-T101 PolarHBondContact O-OG1 2.81Å; T101-R280 PolarHBondContact O-NE 3.04Å; T101-V283 HydrophobicContact CG2-CG1 3.99Å; T101-H287 HydrophobicContact CG2-CB 4.4Å; T101-W382 PolarHBondContact OG1-NE1 3.1Å; T101-W382 VanDerWaalsContact OG1-NE1 3.12Å |
| 102 | N | 96.8 | Very high | 97 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -105.6 | -172.7 | 170.1 | -91.8 | -21.8 | 0 | 0 | 0 | 110.7 | I100 S106 S107 Y284 W382 | I100-N102 VanDerWaalsContact C-N 3.29Å; I100-N102 PolarHBondContact O-N 2.95Å; N102-S106 WeakPolarHBondContact CB-O 3.46Å; N102-S107 VanDerWaalsContact CA-OG 3.25Å; N102-S107 WeakPolarHBondContact CA-OG 3.41Å; N102-S107 WeakPolarHBondContact CB-OG 3.25Å; N102-S107 PolarHBondContact N-OG 3Å; N102-S107 PolarHBondContact O-OG 3.09Å; N102-S107 VanDerWaalsContact O-OG 3.05Å; N102-Y284 PolarHBondContact OD1-OH 3.25Å; N102-W382 WeakPolarHBondContact ND2-CA 3.32Å |
| 103 | L | 97.6 | Very high | 97.2 | Very high | 67 Ų | 67 | 13.6 Ų | 13.6 | 35% | 0.351 | 8% | 0.076 | S | C | . | . | trans | -69.6 | 160.5 | 174.3 | -58.7 | 179.2 | 0 | 0 | 0 | 110.5 | W50 N105 S106 S107 | W50-L103 HydrophobicContact CH2-CD2 3.37Å; W50-L103 HydrophobicContact CZ2-CD2 3.64Å; W50-L103 HydrophobicContact CZ3-CD2 4.31Å; L103-N105 VanDerWaalsContact C-N 3.29Å; L103-N105 WeakPolarHBondContact CB-OD1 3.3Å; L103-N105 PolarHBondContact O-N 3.37Å; L103-S106 PolarHBondContact N-OG 2.84Å; L103-S106 CarbonylContact O-C 3.58Å; L103-S106 WeakPolarHBondContact O-CA 3.35Å; L103-S106 PolarHBondContact O-N 3.2Å; L103-S106 PolarHBondContact O-OG 3Å; L103-S107 PolarHBondContact O-N 3.42Å; L103-S107 PolarHBondContact O-OG 3.05Å | ||
| 104 | P | 97.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 16.6 Ų | 16.6 | 16% | 0.162 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -54.8 | -38.6 | 179 | -31.4 | 38.2 | 0 | 0 | 0 | 115.2 | W50 Y52 S106 Y110 | W50-P104 HydrophobicContact CB-CG 3.92Å; W50-P104 HydrophobicContact CD2-CG 3.58Å; W50-P104 VanDerWaalsContact CE3-CD 3.48Å; W50-P104 HydrophobicContact CE3-CG 3.45Å; W50-P104 VanDerWaalsContact CE3-CG 3.45Å; W50-P104 HydrophobicContact CG-CG 3.79Å; W50-P104 HydrophobicContact CZ3-CG 4.2Å; Y52-P104 HydrophobicContact CE2-CB 3.98Å; Y52-P104 HydrophobicContact CE2-CG 4.15Å; P104-S106 PolarHBondContact O-N 2.93Å; P104-Y110 HydrophobicContact CB-CD2 4.24Å; P104-Y110 HydrophobicContact CB-CG 4.23Å; P104-Y110 HydrophobicContact CG-CD2 4.42Å; P104-Y110 VanDerWaalsContact O-CB 3.3Å; P104-Y110 WeakPolarHBondContact O-CB 3.29Å |
| 105 | N | 96.6 | Very high | 97.5 | Very high | 116 Ų | 116 | 18.8 Ų | 18.8 | 62% | 0.62 | 11% | 0.111 | S | C | * | . | G | 310 helix | trans | -78.3 | -5.8 | 177.2 | 67.7 | -25.8 | 0 | 0 | 0 | 113.8 | L103 | L103-N105 VanDerWaalsContact C-N 3.29Å; L103-N105 WeakPolarHBondContact CB-OD1 3.3Å; L103-N105 PolarHBondContact O-N 3.37Å |
| 106 | S | 97 | Very high | 97.5 | Very high | 19 Ų | 19 | 19.5 Ų | 19.5 | 13% | 0.133 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -129.1 | 14.5 | -178.6 | 64.3 | 0 | 0 | 0 | 0 | 115 | N102 L103 P104 | N102-S106 WeakPolarHBondContact CB-O 3.46Å; L103-S106 PolarHBondContact N-OG 2.84Å; L103-S106 CarbonylContact O-C 3.58Å; L103-S106 WeakPolarHBondContact O-CA 3.35Å; L103-S106 PolarHBondContact O-N 3.2Å; L103-S106 PolarHBondContact O-OG 3Å; P104-S106 PolarHBondContact O-N 2.93Å |
| 107 | S | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | trans | -121.2 | 128 | 170.9 | -35.1 | 0 | 0 | 0 | 0 | 110.1 | W99 N102 L103 G109 Y110 V111 | W99-S107 WeakPolarHBondContact O-CB 3.17Å; N102-S107 VanDerWaalsContact CA-OG 3.25Å; N102-S107 WeakPolarHBondContact CA-OG 3.41Å; N102-S107 WeakPolarHBondContact CB-OG 3.25Å; N102-S107 PolarHBondContact N-OG 3Å; N102-S107 PolarHBondContact O-OG 3.09Å; N102-S107 VanDerWaalsContact O-OG 3.05Å; L103-S107 PolarHBondContact O-N 3.42Å; L103-S107 PolarHBondContact O-OG 3.05Å; S107-G109 PolarHBondContact O-N 2.93Å; S107-Y110 PolarHBondContact O-N 3.02Å; S107-Y110 VanDerWaalsContact O-N 3.15Å; S107-V111 WeakPolarHBondContact O-CG2 3.48Å; S107-V111 PolarHBondContact O-N 3.14Å; S107-V111 VanDerWaalsContact O-N 3.09Å | ||
| 108 | L | 98.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.2 | -36.6 | -172.6 | -175.7 | 61.2 | 0 | 0 | 0 | 112.5 | L88 W99 Y110 V111 L112 I175 L204 F391 I394 | L88-L108 HydrophobicContact CD2-CD2 4.42Å; W99-L108 HydrophobicContact CE3-CB 4.17Å; W99-L108 HydrophobicContact CE3-CD2 4.01Å; W99-L108 HydrophobicContact CZ3-CD2 3.74Å; L108-Y110 PolarHBondContact O-N 3.4Å; L108-V111 PolarHBondContact O-N 2.76Å; L108-L112 HydrophobicContact CD1-CD1 4.07Å; L108-L112 HydrophobicContact CD1-CD2 4.43Å; L108-L112 HydrophobicContact CD1-CG 3.95Å; L108-L112 HydrophobicContact CD2-CD1 4.44Å; L108-L112 HydrophobicContact CG-CD1 3.78Å; L108-L112 HydrophobicContact CG-CG 4.17Å; L108-L112 WeakPolarHBondContact O-CB 3.43Å; L108-L112 VanDerWaalsContact O-CG 3.22Å; L108-L112 WeakPolarHBondContact O-CG 3.14Å; L108-L112 PolarHBondContact O-N 2.99Å; L108-I175 HydrophobicContact CD2-CD1 4.17Å; L108-I175 HydrophobicContact CD2-CG2 4.15Å; L108-L204 HydrophobicContact CD2-CD1 4.46Å; L108-F391 HydrophobicContact CB-CE1 3.98Å; L108-F391 HydrophobicContact CB-CE2 4.5Å; L108-F391 HydrophobicContact CB-CZ 3.92Å; L108-F391 HydrophobicContact CD1-CD1 3.82Å; L108-F391 HydrophobicContact CD1-CE1 4.01Å; L108-F391 HydrophobicContact CD1-CG 4.12Å; L108-F391 HydrophobicContact CD1-CZ 4.46Å; L108-F391 HydrophobicContact CG-CE1 4.47Å; L108-I394 HydrophobicContact CD1-CD1 4.33Å; L108-I394 HydrophobicContact CD2-CD1 4.26Å |
| 109 | G | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | W99 S107 A113 | W99-G109 PolarHBondContact O-N 3.4Å; S107-G109 PolarHBondContact O-N 2.93Å; G109-A113 PolarHBondContact O-N 3.44Å |
| 110 | Y | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -73.1 | -41.1 | 178 | -62 | -54.5 | 0 | 0 | 0 | 112.3 | I46 I47 W50 Y52 I72 I100 P104 S107 L108 L112 A113 D114 | I46-Y110 PolarHBondContact O-OH 3.07Å; I47-Y110 WeakPolarHBondContact CA-OH 3.21Å; I47-Y110 HydrophobicContact CG1-CE1 4.46Å; I47-Y110 HydrophobicContact CG2-CE1 4.49Å; W50-Y110 HydrophobicContact CB-CE1 4.36Å; W50-Y110 AromaticContact CD1-CZ 3.84Å; W50-Y110 HydrophobicContact CG-CE2 4.46Å; Y52-Y110 AromaticContact CD1-CD1 3.92Å; Y52-Y110 HydrophobicContact CD1-CD1 3.92Å; Y52-Y110 AromaticContact CD2-CD1 3.41Å; Y52-Y110 HydrophobicContact CD2-CD1 3.41Å; Y52-Y110 VanDerWaalsContact CD2-CD1 3.41Å; Y52-Y110 AromaticContact CD2-CE1 3.56Å; Y52-Y110 HydrophobicContact CD2-CE1 3.56Å; Y52-Y110 HydrophobicContact CD2-CG 4.37Å; Y52-Y110 AromaticContact CE1-CD1 3.94Å; Y52-Y110 HydrophobicContact CE1-CD1 3.94Å; Y52-Y110 AromaticContact CE2-CD1 3.45Å; Y52-Y110 HydrophobicContact CE2-CD1 3.45Å; Y52-Y110 VanDerWaalsContact CE2-CD1 3.45Å; Y52-Y110 AromaticContact CE2-CE1 3.99Å; Y52-Y110 HydrophobicContact CE2-CE1 3.99Å; Y52-Y110 AromaticContact CE2-CG 3.98Å; Y52-Y110 HydrophobicContact CE2-CG 3.98Å; Y52-Y110 AromaticContact CG-CD1 3.67Å; Y52-Y110 HydrophobicContact CG-CD1 3.67Å; Y52-Y110 AromaticContact CG-CE1 3.91Å; Y52-Y110 HydrophobicContact CG-CE1 3.91Å; Y52-Y110 AromaticContact CZ-CD1 3.73Å; I72-Y110 HydrophobicContact CD1-CD1 4.02Å; I72-Y110 HydrophobicContact CD1-CE1 4.03Å; I100-Y110 HydrophobicContact CB-CE2 3.75Å; I100-Y110 HydrophobicContact CG2-CD2 4.48Å; I100-Y110 HydrophobicContact CG2-CE1 4.28Å; I100-Y110 HydrophobicContact CG2-CE2 4.04Å; P104-Y110 HydrophobicContact CB-CD2 4.24Å; P104-Y110 HydrophobicContact CB-CG 4.23Å; P104-Y110 HydrophobicContact CG-CD2 4.42Å; P104-Y110 VanDerWaalsContact O-CB 3.3Å; P104-Y110 WeakPolarHBondContact O-CB 3.29Å; S107-Y110 PolarHBondContact O-N 3.02Å; S107-Y110 VanDerWaalsContact O-N 3.15Å; L108-Y110 PolarHBondContact O-N 3.4Å; Y110-L112 VanDerWaalsContact C-N 3.31Å; Y110-L112 PolarHBondContact O-N 3.01Å; Y110-A113 PolarHBondContact O-N 3.26Å; Y110-D114 PolarHBondContact O-N 3.15Å |
| 111 | V | 98.3 | Very high | 97.7 | Very high | 26 Ų | 26 | 20.1 Ų | 20.1 | 16% | 0.158 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 178.2 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | S107 L108 A115 F391 L395 | S107-V111 WeakPolarHBondContact O-CG2 3.48Å; S107-V111 PolarHBondContact O-N 3.14Å; S107-V111 VanDerWaalsContact O-N 3.09Å; L108-V111 PolarHBondContact O-N 2.76Å; V111-A115 VanDerWaalsContact O-CB 3.29Å; V111-A115 WeakPolarHBondContact O-CB 3.21Å; V111-A115 PolarHBondContact O-N 2.83Å; V111-F391 HydrophobicContact CB-CD2 4.21Å; V111-F391 HydrophobicContact CG1-CD2 4.1Å; V111-F391 HydrophobicContact CG2-CD2 3.89Å; V111-F391 HydrophobicContact CG2-CE2 4.01Å; V111-L395 HydrophobicContact CG1-CD1 4.05Å |
| 112 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.5 | -43.3 | 175.1 | -71.2 | 169.4 | 0 | 0 | 0 | 112.1 | V86 L88 L108 Y110 D114 A115 G116 Y117 V119 I175 L395 L398 | V86-L112 HydrophobicContact CG1-CD1 3.9Å; L88-L112 HydrophobicContact CD1-CD1 4.22Å; L88-L112 HydrophobicContact CD2-CD1 3.8Å; L88-L112 HydrophobicContact CG-CD1 4.48Å; L108-L112 HydrophobicContact CD1-CD1 4.07Å; L108-L112 HydrophobicContact CD1-CD2 4.43Å; L108-L112 HydrophobicContact CD1-CG 3.95Å; L108-L112 HydrophobicContact CD2-CD1 4.44Å; L108-L112 HydrophobicContact CG-CD1 3.78Å; L108-L112 HydrophobicContact CG-CG 4.17Å; L108-L112 WeakPolarHBondContact O-CB 3.43Å; L108-L112 VanDerWaalsContact O-CG 3.22Å; L108-L112 WeakPolarHBondContact O-CG 3.14Å; L108-L112 PolarHBondContact O-N 2.99Å; Y110-L112 VanDerWaalsContact C-N 3.31Å; Y110-L112 PolarHBondContact O-N 3.01Å; L112-D114 VanDerWaalsContact C-N 3.34Å; L112-D114 PolarHBondContact O-N 3.46Å; L112-A115 CarbonylContact O-C 3.56Å; L112-A115 PolarHBondContact O-N 2.86Å; L112-G116 PolarHBondContact O-N 3.32Å; L112-Y117 HydrophobicContact CD2-CD2 4.14Å; L112-Y117 WeakPolarHBondContact O-CD2 3.25Å; L112-Y117 PolarHBondContact O-N 2.89Å; L112-Y117 VanDerWaalsContact O-N 3.08Å; L112-V119 HydrophobicContact CB-CG2 3.57Å; L112-I175 HydrophobicContact CD1-CD1 4.12Å; L112-L395 HydrophobicContact CD2-CD2 3.98Å; L112-L398 HydrophobicContact CD2-CD1 3.38Å |
| 113 | A | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y52 I72 G75 G109 Y110 A115 G116 V119 | Y52-A113 HydrophobicContact CD1-CB 4.28Å; Y52-A113 HydrophobicContact CE1-CB 4.26Å; I72-A113 HydrophobicContact CB-CB 4.34Å; I72-A113 HydrophobicContact CG2-CB 3.62Å; G75-A113 VanDerWaalsContact CA-C 3.48Å; G75-A113 WeakPolarHBondContact CA-O 3.5Å; G75-A113 PolarHBondContact N-O 3.14Å; G109-A113 PolarHBondContact O-N 3.44Å; Y110-A113 PolarHBondContact O-N 3.26Å; A113-A115 VanDerWaalsContact C-N 3.3Å; A113-A115 PolarHBondContact O-N 3.17Å; A113-G116 PolarHBondContact O-N 3.19Å; A113-V119 HydrophobicContact CB-CG2 4.13Å |
| 114 | D | 97.4 | Very high | 98 | Very high | 70 Ų | 70 | 17 Ų | 17 | 37% | 0.374 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -70 | -25.2 | 176.5 | -75.4 | -24.7 | 0 | 0 | 0 | 113.5 | Y52 G75 L76 Y110 L112 G116 | Y52-D114 WeakPolarHBondContact CE1-OD1 3.25Å; Y52-D114 PolarHBondContact OH-OD2 3.2Å; G75-D114 VanDerWaalsContact CA-OD1 3.23Å; G75-D114 WeakPolarHBondContact CA-OD1 3.18Å; L76-D114 PolarHBondContact N-OD1 2.87Å; Y110-D114 PolarHBondContact O-N 3.15Å; L112-D114 VanDerWaalsContact C-N 3.34Å; L112-D114 PolarHBondContact O-N 3.46Å; D114-G116 PolarHBondContact O-N 3.4Å |
| 115 | A | 95.7 | Very high | 98 | Very high | 50 Ų | 50 | 16 Ų | 16 | 41% | 0.413 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V111 L112 A113 Y117 L395 | V111-A115 VanDerWaalsContact O-CB 3.29Å; V111-A115 WeakPolarHBondContact O-CB 3.21Å; V111-A115 PolarHBondContact O-N 2.83Å; L112-A115 CarbonylContact O-C 3.56Å; L112-A115 PolarHBondContact O-N 2.86Å; A113-A115 VanDerWaalsContact C-N 3.3Å; A113-A115 PolarHBondContact O-N 3.17Å; A115-Y117 HydrophobicContact CB-CD2 3.96Å; A115-Y117 HydrophobicContact CB-CE2 3.98Å; A115-L395 HydrophobicContact CB-CD2 3.56Å |
| 116 | G | 95.8 | Very high | 98.1 | Very high | 16 Ų | 16 | 10.4 Ų | 10.4 | 17% | 0.165 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | 15.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R83 L112 A113 D114 | R83-G116 WeakPolarHBondContact CB-O 3.38Å; R83-G116 WeakPolarHBondContact CD-O 3.47Å; R83-G116 WeakPolarHBondContact CG-O 3.39Å; L112-G116 PolarHBondContact O-N 3.32Å; A113-G116 PolarHBondContact O-N 3.19Å; D114-G116 PolarHBondContact O-N 3.4Å |
| 117 | Y | 97.4 | Very high | 98.1 | Very high | 16 Ų | 16 | 9.6 Ų | 9.6 | 6% | 0.063 | 6% | 0.062 | C | C | . | . | trans | -88.6 | 155.3 | 175.4 | -63.7 | -84.3 | 0 | 0 | 0 | 112.2 | V86 L112 A115 F173 L395 L398 | V86-Y117 HydrophobicContact CG2-CD1 3.54Å; V86-Y117 HydrophobicContact CG2-CE1 4.38Å; V86-Y117 HydrophobicContact CG2-CG 3.77Å; L112-Y117 HydrophobicContact CD2-CD2 4.14Å; L112-Y117 WeakPolarHBondContact O-CD2 3.25Å; L112-Y117 PolarHBondContact O-N 2.89Å; L112-Y117 VanDerWaalsContact O-N 3.08Å; A115-Y117 HydrophobicContact CB-CD2 3.96Å; A115-Y117 HydrophobicContact CB-CE2 3.98Å; Y117-F173 HydrophobicContact CE1-CE2 4.37Å; Y117-L395 HydrophobicContact CE2-CD2 4.21Å; Y117-L398 HydrophobicContact CD2-CD1 4.45Å; Y117-L398 HydrophobicContact CE1-CB 4.03Å; Y117-L398 HydrophobicContact CE1-CD1 4.3Å; Y117-L398 HydrophobicContact CE2-CB 4.38Å; Y117-L398 HydrophobicContact CE2-CD1 4.01Å; Y117-L398 WeakPolarHBondContact OH-CB 3.14Å | ||
| 118 | D | 98 | Very high | 97.9 | Very high | 5 Ų | 5 | 11.6 Ų | 11.6 | 3% | 0.027 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 104.6 | 168 | 177 | 19.3 | 0 | 0 | 0 | 108.7 | R71 R83 S84 A85 V86 W120 T167 | R71-D118 IonicContact CZ-OD1 3.7Å; R71-D118 IonicContact CZ-OD2 2.68Å; R71-D118 IonicContact NE-OD1 3.93Å; R71-D118 PolarHBondContact NE-OD1 2.76Å; R71-D118 IonicContact NE-OD2 2.9Å; R71-D118 PolarHBondContact NE-OD2 2.86Å; R71-D118 VanDerWaalsContact NH2-CG 3.31Å; R71-D118 IonicContact NH2-OD1 3.5Å; R71-D118 PolarHBondContact NH2-OD1 3.27Å; R71-D118 IonicContact NH2-OD2 2.91Å; R71-D118 PolarHBondContact NH2-OD2 3.46Å; R83-D118 HydrophobicContact CB-CB 3.98Å; S84-D118 PolarHBondContact O-N 3.36Å; A85-D118 CarbonylContact C-O 3.55Å; A85-D118 VanDerWaalsContact CA-O 3.28Å; A85-D118 WeakPolarHBondContact CA-O 3.47Å; V86-D118 PolarHBondContact N-O 3.36Å; D118-W120 VanDerWaalsContact CG-NE1 3.34Å; D118-W120 PolarHBondContact OD1-NE1 2.95Å; D118-W120 PolarHBondContact OD2-NE1 3.08Å; D118-T167 VanDerWaalsContact OD2-CG2 3.26Å; D118-T167 WeakPolarHBondContact OD2-CG2 3.31Å |
| 119 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.4 | -168 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | R71 I72 L88 L112 A113 I121 | R71-V119 CarbonylContact C-O 3.58Å; R71-V119 WeakPolarHBondContact CA-O 3.2Å; R71-V119 WeakPolarHBondContact CG-O 3.24Å; I72-V119 HydrophobicContact CB-CB 4.23Å; I72-V119 PolarHBondContact N-O 3.32Å; I72-V119 PolarHBondContact O-N 3.2Å; L88-V119 HydrophobicContact CD1-CG1 3.65Å; L88-V119 HydrophobicContact CG-CG1 4.09Å; L112-V119 HydrophobicContact CB-CG2 3.57Å; A113-V119 HydrophobicContact CB-CG2 4.13Å; V119-I121 HydrophobicContact CG1-CG1 4.22Å |
| 120 | W | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.5 | 175.7 | -67.8 | 79.7 | 0 | 0 | 0 | 109.7 | H57 I69 N70 R71 V86 F87 L88 D118 I163 A166 T167 | H57-W120 HydrophobicContact CB-CZ3 4.36Å; H57-W120 AromaticContact CD2-CZ3 3.67Å; H57-W120 AromaticContact CE1-CH2 3.66Å; H57-W120 AromaticContact CG-CZ3 3.76Å; H57-W120 AromaticContact ND1-CH2 3.92Å; H57-W120 AromaticContact ND1-CZ3 3.95Å; H57-W120 AromaticContact NE2-CH2 3.74Å; H57-W120 AromaticContact NE2-CZ3 3.85Å; I69-W120 HydrophobicContact CD1-CE3 3.75Å; I69-W120 HydrophobicContact CD1-CZ3 3.9Å; I69-W120 HydrophobicContact CG1-CE3 4.34Å; I69-W120 HydrophobicContact CG1-CZ3 4.44Å; N70-W120 CarbonylContact O-C 3.4Å; R71-W120 HydrophobicContact CB-CD2 4.12Å; R71-W120 HydrophobicContact CB-CE3 3.99Å; R71-W120 HydrophobicContact CB-CZ3 4.27Å; R71-W120 VanDerWaalsContact CD-CZ2 3.43Å; R71-W120 HydrophobicContact CG-CD2 3.82Å; R71-W120 HydrophobicContact CG-CE3 4.17Å; R71-W120 HydrophobicContact CG-CG 4.25Å; R71-W120 HydrophobicContact CG-CH2 4.45Å; R71-W120 HydrophobicContact CG-CZ2 4.09Å; R71-W120 HydrophobicContact CG-CZ3 4.47Å; V86-W120 PolarHBondContact O-N 2.9Å; F87-W120 CarbonylContact C-O 3.49Å; F87-W120 WeakPolarHBondContact CA-O 3.4Å; F87-W120 HydrophobicContact CD2-CB 3.96Å; L88-W120 PolarHBondContact N-O 2.95Å; D118-W120 VanDerWaalsContact CG-NE1 3.34Å; D118-W120 PolarHBondContact OD1-NE1 2.95Å; D118-W120 PolarHBondContact OD2-NE1 3.08Å; W120-I163 HydrophobicContact CB-CD1 3.71Å; W120-I163 HydrophobicContact CB-CG1 4.28Å; W120-I163 HydrophobicContact CD2-CB 4.43Å; W120-I163 HydrophobicContact CD2-CD1 4.11Å; W120-I163 HydrophobicContact CD2-CG1 3.65Å; W120-I163 HydrophobicContact CD2-CG2 4.14Å; W120-I163 HydrophobicContact CE3-CD1 4.34Å; W120-I163 HydrophobicContact CE3-CG1 3.74Å; W120-I163 HydrophobicContact CG-CD1 3.86Å; W120-I163 HydrophobicContact CG-CG1 3.91Å; W120-I163 HydrophobicContact CG-CG2 4.09Å; W120-I163 HydrophobicContact CZ2-CG2 4.48Å; W120-I163 HydrophobicContact CZ3-CG1 4.26Å; W120-A166 HydrophobicContact CH2-CB 3.8Å; W120-A166 HydrophobicContact CZ2-CB 4Å; W120-T167 HydrophobicContact CZ2-CG2 3.91Å |
| 121 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115.2 | -172.5 | -65 | 171.8 | 0 | 0 | 0 | 108.4 | I69 N70 I72 L88 G96 I100 V119 | I69-I121 WeakPolarHBondContact CA-O 3.25Å; I69-I121 WeakPolarHBondContact CB-O 3.46Å; N70-I121 HydrophobicContact CB-CB 4.26Å; N70-I121 PolarHBondContact N-O 3.24Å; N70-I121 PolarHBondContact O-N 3.08Å; I72-I121 HydrophobicContact CD1-CD1 4.25Å; I72-I121 HydrophobicContact CG1-CD1 4.5Å; L88-I121 HydrophobicContact CD1-CG1 4.3Å; G96-I121 WeakPolarHBondContact O-CG2 3.43Å; I100-I121 HydrophobicContact CG2-CD1 3.94Å; V119-I121 HydrophobicContact CG1-CG1 4.22Å |
| 122 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -82.5 | 155 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F87 L88 H90 | F87-G122 VanDerWaalsContact CE2-CA 3.44Å; L88-G122 PolarHBondContact O-N 3.09Å; H90-G122 PolarHBondContact CD2-O 3.37Å | ||
| 123 | N | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | trans | -135.2 | 120.1 | 167.9 | -75.7 | -60.9 | 0 | 0 | 0 | 109.6 | T68 G96 N127 W129 S130 | T68-N123 WeakPolarHBondContact O-CB 3.37Å; T68-N123 PolarHBondContact O-ND2 2.92Å; G96-N123 PolarHBondContact N-OD1 3.03Å; N123-N127 WeakPolarHBondContact CB-ND2 3.28Å; N123-N127 PolarHBondContact OD1-ND2 3.44Å; N123-W129 HydrophobicContact CB-CB 4.29Å; N123-S130 VanDerWaalsContact CB-OG 3.27Å; N123-S130 WeakPolarHBondContact CB-OG 3.25Å; N123-S130 PolarHBondContact O-OG 2.85Å | ||
| 124 | S | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | trans | -71.1 | 148 | 179.1 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | Q89 H90 G126 N127 S130 | Q89-S124 PolarHBondContact NE2-OG 3.15Å; Q89-S124 VanDerWaalsContact NE2-OG 3.1Å; H90-S124 PolarHBondContact NE2-N 3.42Å; H90-S124 VanDerWaalsContact NE2-N 3.12Å; S124-G126 PolarHBondContact O-N 3.31Å; S124-N127 VanDerWaalsContact O-CG 3.31Å; S124-N127 PolarHBondContact O-N 2.82Å; S124-N127 PolarHBondContact O-OD1 3.47Å; S124-S130 WeakPolarHBondContact O-CB 3.26Å | ||
| 125 | R | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | 135.9 | 174.5 | 62.7 | 178.7 | 64.5 | -156.7 | -6.8 | 112.4 | D63 Y65 L67 N127 F146 M151 D155 | D63-R125 IonicContact OD1-CZ 3.32Å; D63-R125 IonicContact OD1-NH1 2.71Å; D63-R125 IonicContact OD1-NH2 3.52Å; D63-R125 PolarHBondContact OD1-NH2 3.05Å; D63-R125 IonicContact OD2-CZ 3.24Å; D63-R125 IonicContact OD2-NH1 3.43Å; D63-R125 PolarHBondContact OD2-NH1 3.23Å; D63-R125 IonicContact OD2-NH2 3.92Å; D63-R125 PolarHBondContact OD2-NH2 2.86Å; Y65-R125 HydrophobicContact CD1-CB 3.68Å; Y65-R125 VanDerWaalsContact CD2-NH1 3.35Å; Y65-R125 HydrophobicContact CE1-CB 4.08Å; Y65-R125 HydrophobicContact CG-CB 4.15Å; L67-R125 HydrophobicContact CD2-CB 3.96Å; R125-N127 VanDerWaalsContact C-N 3.3Å; R125-N127 PolarHBondContact O-N 3.38Å; R125-F146 HydrophobicContact CG-CD1 4.24Å; R125-F146 HydrophobicContact CG-CD2 3.61Å; R125-F146 HydrophobicContact CG-CE1 4.27Å; R125-F146 HydrophobicContact CG-CE2 3.69Å; R125-F146 HydrophobicContact CG-CG 3.92Å; R125-F146 HydrophobicContact CG-CZ 4.03Å; R125-F146 WeakPolarHBondContact O-CE2 3.4Å; R125-F146 VanDerWaalsContact O-CZ 3.28Å; R125-F146 WeakPolarHBondContact O-CZ 3.4Å; R125-M151 HydrophobicContact CG-CE 4.24Å; R125-M151 HydrophobicContact CG-CG 4.06Å; R125-D155 WeakPolarHBondContact CB-OD2 3.31Å; R125-D155 WeakPolarHBondContact CG-OD2 3.33Å; R125-D155 IonicContact CZ-OD1 3.69Å; R125-D155 PolarHBondContact N-OD2 2.94Å; R125-D155 IonicContact NE-OD1 3.92Å; R125-D155 PolarHBondContact NE-OD1 3.31Å; R125-D155 IonicContact NE-OD2 2.6Å; R125-D155 PolarHBondContact NE-OD2 3.28Å; R125-D155 IonicContact NH2-OD1 2.82Å; R125-D155 PolarHBondContact NH2-OD1 2.68Å |
| 126 | G | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -11 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S124 S130 R131 W144 | S124-G126 PolarHBondContact O-N 3.31Å; G126-S130 PolarHBondContact N-O 2.81Å; G126-R131 WeakPolarHBondContact O-CD 3.24Å; G126-R131 WeakPolarHBondContact O-CG 3.46Å; G126-W144 WeakPolarHBondContact O-CH2 3.39Å; G126-W144 WeakPolarHBondContact O-CZ3 3.48Å |
| 127 | N | 97.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -70 | 171.7 | 169.5 | 90.3 | -2.6 | 0 | 0 | 0 | 111.1 | H90 A94 N123 S124 R125 W129 S130 R131 A290 | H90-N127 PolarHBondContact NE2-ND2 3.09Å; H90-N127 VanDerWaalsContact NE2-ND2 3.15Å; A94-N127 PolarHBondContact O-ND2 3.47Å; N123-N127 WeakPolarHBondContact CB-ND2 3.28Å; N123-N127 PolarHBondContact OD1-ND2 3.44Å; S124-N127 VanDerWaalsContact O-CG 3.31Å; S124-N127 PolarHBondContact O-N 2.82Å; S124-N127 PolarHBondContact O-OD1 3.47Å; R125-N127 VanDerWaalsContact C-N 3.3Å; R125-N127 PolarHBondContact O-N 3.38Å; N127-W129 PolarHBondContact O-N 3.39Å; N127-W129 PolarHBondContact OD1-N 3.45Å; N127-S130 PolarHBondContact O-N 2.83Å; N127-S130 VanDerWaalsContact O-N 3.12Å; N127-S130 PolarHBondContact OD1-N 3.46Å; N127-R131 WeakPolarHBondContact O-CD 3.41Å; N127-R131 WeakPolarHBondContact O-CG 3.3Å; N127-A290 CarbonylContact C-O 3.6Å; N127-A290 WeakPolarHBondContact CA-O 3.25Å; N127-A290 HydrophobicContact CB-CB 4.27Å |
| 128 | T | 95.2 | Very high | 97.9 | Very high | 44 Ų | 44 | 33.1 Ų | 33.1 | 27% | 0.27 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -36 | -175.1 | -62.6 | 0 | 0 | 0 | 0 | 114.3 | Q240 A290 | T128-Q240 WeakPolarHBondContact OG1-CG 3.13Å; T128-A290 PolarHBondContact N-O 2.87Å; T128-A290 PolarHBondContact OG1-O 2.84Å |
| 129 | W | 96.5 | Very high | 97.8 | Very high | 68 Ų | 68 | 38.4 Ų | 38.4 | 26% | 0.258 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -24.6 | -173 | -47.2 | 108.1 | 0 | 0 | 0 | 113.3 | N42 I43 T68 N123 N127 | N42-W129 HydrophobicContact CB-CH2 3.4Å; N42-W129 VanDerWaalsContact CB-CH2 3.4Å; N42-W129 HydrophobicContact CB-CZ2 4.32Å; N42-W129 HydrophobicContact CB-CZ3 3.63Å; I43-W129 HydrophobicContact CD1-CD2 4.43Å; I43-W129 HydrophobicContact CD1-CG 4.2Å; I43-W129 HydrophobicContact CG1-CZ2 4.32Å; T68-W129 WeakPolarHBondContact CB-O 3.34Å; T68-W129 PolarHBondContact OG1-O 2.91Å; N123-W129 HydrophobicContact CB-CB 4.29Å; N127-W129 PolarHBondContact O-N 3.39Å; N127-W129 PolarHBondContact OD1-N 3.45Å |
| 130 | S | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -110.6 | 49.2 | -176.6 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | L67 T68 N123 S124 G126 N127 | L67-S130 WeakPolarHBondContact CA-OG 3.38Å; T68-S130 PolarHBondContact N-OG 3.16Å; N123-S130 VanDerWaalsContact CB-OG 3.27Å; N123-S130 WeakPolarHBondContact CB-OG 3.25Å; N123-S130 PolarHBondContact O-OG 2.85Å; S124-S130 WeakPolarHBondContact O-CB 3.26Å; G126-S130 PolarHBondContact N-O 2.81Å; N127-S130 PolarHBondContact O-N 2.83Å; N127-S130 VanDerWaalsContact O-N 3.12Å; N127-S130 PolarHBondContact OD1-N 3.46Å | ||
| 131 | R | 96.7 | Very high | 97.6 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 27% | 0.268 | 24% | 0.237 | S | C | . | . | trans | -105.1 | 35.4 | -178.8 | -87.2 | 171.8 | 87.8 | 163.8 | 19.4 | 114.1 | G126 N127 P138 W144 D236 | G126-R131 WeakPolarHBondContact O-CD 3.24Å; G126-R131 WeakPolarHBondContact O-CG 3.46Å; N127-R131 WeakPolarHBondContact O-CD 3.41Å; N127-R131 WeakPolarHBondContact O-CG 3.3Å; R131-P138 WeakPolarHBondContact O-CG 3.45Å; R131-W144 HydrophobicContact CG-CH2 4.01Å; R131-D236 IonicContact CZ-OD2 3.87Å; R131-D236 IonicContact NH1-OD2 2.94Å; R131-D236 IonicContact NH2-OD2 3.97Å; R131-D236 PolarHBondContact NH2-OD2 2.8Å | ||
| 132 | K | 98.3 | Very high | 97.5 | Very high | 100 Ų | 100 | 50.7 Ų | 50.7 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.5 | 178.8 | -66.2 | -179.1 | -165.1 | 173.3 | 0 | 110.7 | E58 I66 | E58-K132 IonicContact OE1-NZ 3.48Å; E58-K132 PolarHBondContact OE1-NZ 3.07Å; I66-K132 HydrophobicContact CB-CB 3.86Å; I66-K132 HydrophobicContact CD1-CB 4.38Å; I66-K132 HydrophobicContact CG2-CB 4.5Å; I66-K132 PolarHBondContact N-O 3.39Å |
| 133 | H | 98.6 | Very high | 97.5 | Very high | 32 Ų | 32 | 50.7 Ų | 50.7 | 15% | 0.148 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 153.9 | 173.8 | -163.1 | -73.8 | 0 | 0 | 0 | 109.5 | D63 G64 Y65 T135 L136 F143 | D63-H133 PolarHBondContact O-CE1 3.39Å; D63-H133 PolarHBondContact O-NE2 3.02Å; G64-H133 CarbonylContact O-C 3.59Å; G64-H133 VanDerWaalsContact O-CA 3.24Å; G64-H133 WeakPolarHBondContact O-CA 3.22Å; G64-H133 VanDerWaalsContact O-CG 3.27Å; G64-H133 PolarHBondContact O-ND1 2.96Å; Y65-H133 AromaticContact CD2-CD2 3.6Å; Y65-H133 AromaticContact CD2-NE2 3.87Å; Y65-H133 AromaticContact CE2-CD2 3.65Å; Y65-H133 AromaticContact CE2-NE2 3.81Å; Y65-H133 AromaticContact CG-CD2 3.83Å; Y65-H133 AromaticContact CZ-CD2 3.94Å; H133-T135 PolarHBondContact CE1-OG1 2.91Å; H133-T135 VanDerWaalsContact CE1-OG1 3.31Å; H133-T135 PolarHBondContact ND1-N 3.07Å; H133-T135 PolarHBondContact ND1-OG1 3.06Å; H133-T135 VanDerWaalsContact ND1-OG1 3.15Å; H133-T135 PolarHBondContact O-N 3.12Å; H133-L136 HydrophobicContact CB-CB 4.12Å; H133-L136 WeakPolarHBondContact CB-O 3.38Å; H133-L136 PolarHBondContact ND1-N 3.28Å; H133-F143 HydrophobicContact CB-CD2 3.99Å; H133-F143 HydrophobicContact CB-CE2 3.81Å |
| 134 | Q | 98.3 | Very high | 97.5 | Very high | 122 Ų | 122 | 50.7 Ų | 50.7 | 57% | 0.57 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -62.9 | -21.3 | 178.3 | -70.8 | -169 | -31.5 | 0 | 0 | 114.6 | L60 G64 I66 | L60-Q134 HydrophobicContact CD1-CG 3.64Å; G64-Q134 PolarHBondContact O-N 2.79Å; I66-Q134 HydrophobicContact CD1-CG 4.46Å |
| 135 | T | 98.1 | Very high | 97.5 | Very high | 112 Ų | 112 | 56.7 Ų | 56.7 | 69% | 0.687 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -145.2 | -38 | -165.9 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | H133 | H133-T135 PolarHBondContact CE1-OG1 2.91Å; H133-T135 VanDerWaalsContact CE1-OG1 3.31Å; H133-T135 PolarHBondContact ND1-N 3.07Å; H133-T135 PolarHBondContact ND1-OG1 3.06Å; H133-T135 VanDerWaalsContact ND1-OG1 3.15Å; H133-T135 PolarHBondContact O-N 3.12Å |
| 136 | L | 97.8 | Very high | 97.5 | Very high | 49 Ų | 49 | 56.6 Ų | 56.6 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | trans | -87.3 | 138 | -178.1 | -58.3 | 178 | 0 | 0 | 0 | 111.6 | H133 D142 F143 | H133-L136 HydrophobicContact CB-CB 4.12Å; H133-L136 WeakPolarHBondContact CB-O 3.38Å; H133-L136 PolarHBondContact ND1-N 3.28Å; L136-D142 HydrophobicContact CD1-CB 4.28Å; L136-D142 HydrophobicContact CD2-CB 4.39Å; L136-F143 HydrophobicContact CB-CB 4.22Å; L136-F143 HydrophobicContact CB-CD2 4.1Å | ||
| 137 | S | 97.7 | Very high | 97.5 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 33% | 0.329 | 28% | 0.281 | S | S | . | . | trans | -84 | 142.4 | 167.8 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | D139 L140 F143 | S137-D139 PolarHBondContact O-N 3.43Å; S137-D139 PolarHBondContact OG-N 3.31Å; S137-D139 VanDerWaalsContact OG-N 3.14Å; S137-L140 WeakPolarHBondContact O-CB 3.45Å; S137-L140 PolarHBondContact O-N 3.47Å; S137-F143 VanDerWaalsContact O-CB 3.3Å; S137-F143 WeakPolarHBondContact O-CB 3.28Å | ||
| 138 | P | 96.3 | Very high | 97.6 | Very high | 35 Ų | 35 | 56.6 Ų | 56.6 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -13.4 | 168.4 | -24.6 | 35.3 | 0 | 0 | 0 | 114.5 | R131 L140 F143 W144 | R131-P138 WeakPolarHBondContact O-CG 3.45Å; P138-L140 VanDerWaalsContact C-N 3.29Å; P138-F143 HydrophobicContact CB-CD1 4.27Å; P138-F143 HydrophobicContact CB-CE1 4.29Å; P138-F143 HydrophobicContact CB-CG 4.47Å; P138-F143 HydrophobicContact CB-CZ 4.46Å; P138-F143 HydrophobicContact CG-CD2 4.27Å; P138-F143 HydrophobicContact CG-CE1 4.42Å; P138-F143 HydrophobicContact CG-CE2 3.97Å; P138-F143 HydrophobicContact CG-CZ 4.1Å; P138-W144 HydrophobicContact CB-CZ2 4.3Å; P138-W144 PolarHBondContact O-NE1 2.99Å |
| 139 | D | 95.6 | Very high | 97.7 | Very high | 115 Ų | 115 | 54.6 Ų | 54.6 | 62% | 0.615 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 0.4 | 173.9 | -61.3 | -40.9 | 0 | 0 | 0 | 113.5 | S137 R235 | S137-D139 PolarHBondContact O-N 3.43Å; S137-D139 PolarHBondContact OG-N 3.31Å; S137-D139 VanDerWaalsContact OG-N 3.14Å; D139-R235 PolarHBondContact O-NH1 2.98Å; D139-R235 PolarHBondContact O-NH2 2.93Å |
| 140 | L | 97 | Very high | 97.9 | Very high | 88 Ų | 88 | 52.8 Ų | 52.8 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -104.6 | 143.7 | 178.5 | -61.8 | 175.7 | 0 | 0 | 0 | 110.7 | S137 P138 D142 F143 | S137-L140 WeakPolarHBondContact O-CB 3.45Å; S137-L140 PolarHBondContact O-N 3.47Å; P138-L140 VanDerWaalsContact C-N 3.29Å; L140-D142 VanDerWaalsContact C-N 3.27Å; L140-D142 PolarHBondContact O-N 3.39Å; L140-F143 WeakPolarHBondContact O-CB 3.44Å; L140-F143 PolarHBondContact O-N 3.48Å |
| 141 | E | 97.3 | Very high | 97.9 | Very high | 83 Ų | 83 | 53 Ų | 53 | 39% | 0.388 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -60.2 | -37.9 | 177.6 | -63 | -171.9 | 163.7 | 0 | 0 | 111.8 | F143 W144 R234 R235 | E141-F143 PolarHBondContact O-N 3.33Å; E141-F143 VanDerWaalsContact O-N 3.15Å; E141-W144 PolarHBondContact O-N 3.03Å; E141-R234 HydrophobicContact CB-CB 4.32Å; E141-R234 HydrophobicContact CG-CB 4.06Å; E141-R234 WeakPolarHBondContact OE2-CD 3.47Å; E141-R235 HydrophobicContact CG-CG 4.26Å |
| 142 | D | 97.7 | Very high | 98 | Very high | 88 Ų | 88 | 49.6 Ų | 49.6 | 47% | 0.471 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -61.2 | -25.6 | -179.6 | -72.8 | -37 | 0 | 0 | 0 | 113.7 | L136 L140 W144 R145 | L136-D142 HydrophobicContact CD1-CB 4.28Å; L136-D142 HydrophobicContact CD2-CB 4.39Å; L140-D142 VanDerWaalsContact C-N 3.27Å; L140-D142 PolarHBondContact O-N 3.39Å; D142-W144 PolarHBondContact O-N 3.4Å; D142-R145 WeakPolarHBondContact OD1-CD 3.27Å; D142-R145 IonicContact OD1-CZ 3.15Å; D142-R145 IonicContact OD1-NE 3.17Å; D142-R145 IonicContact OD1-NH1 3.69Å; D142-R145 PolarHBondContact OD1-NH1 2.76Å |
| 143 | F | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -66.2 | -23.8 | 173.1 | -178.1 | -80.3 | 0 | 0 | 0 | 112.5 | Y65 H133 L136 S137 P138 L140 E141 F146 | Y65-F143 HydrophobicContact CD1-CE2 4.37Å; Y65-F143 HydrophobicContact CD1-CZ 4.24Å; Y65-F143 HydrophobicContact CE1-CD2 4.43Å; Y65-F143 HydrophobicContact CE1-CE1 4.23Å; Y65-F143 HydrophobicContact CE1-CE2 4.11Å; Y65-F143 AromaticContact CE1-CZ 3.96Å; Y65-F143 HydrophobicContact CE1-CZ 3.96Å; Y65-F143 PolarHBondContact OH-O 3.29Å; H133-F143 HydrophobicContact CB-CD2 3.99Å; H133-F143 HydrophobicContact CB-CE2 3.81Å; L136-F143 HydrophobicContact CB-CB 4.22Å; L136-F143 HydrophobicContact CB-CD2 4.1Å; S137-F143 VanDerWaalsContact O-CB 3.3Å; S137-F143 WeakPolarHBondContact O-CB 3.28Å; P138-F143 HydrophobicContact CB-CD1 4.27Å; P138-F143 HydrophobicContact CB-CE1 4.29Å; P138-F143 HydrophobicContact CB-CG 4.47Å; P138-F143 HydrophobicContact CB-CZ 4.46Å; P138-F143 HydrophobicContact CG-CD2 4.27Å; P138-F143 HydrophobicContact CG-CE1 4.42Å; P138-F143 HydrophobicContact CG-CE2 3.97Å; P138-F143 HydrophobicContact CG-CZ 4.1Å; L140-F143 WeakPolarHBondContact O-CB 3.44Å; L140-F143 PolarHBondContact O-N 3.48Å; E141-F143 PolarHBondContact O-N 3.33Å; E141-F143 VanDerWaalsContact O-N 3.15Å; F143-F146 WeakPolarHBondContact O-CD1 3.4Å; F143-F146 WeakPolarHBondContact O-CE1 3.49Å |
| 144 | W | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -105.3 | 9.5 | -174.9 | -61.7 | 97.3 | 0 | 0 | 0 | 113.1 | G126 R131 P138 E141 D142 F146 R235 D236 S293 | G126-W144 WeakPolarHBondContact O-CH2 3.39Å; G126-W144 WeakPolarHBondContact O-CZ3 3.48Å; R131-W144 HydrophobicContact CG-CH2 4.01Å; P138-W144 HydrophobicContact CB-CZ2 4.3Å; P138-W144 PolarHBondContact O-NE1 2.99Å; E141-W144 PolarHBondContact O-N 3.03Å; D142-W144 PolarHBondContact O-N 3.4Å; W144-F146 AromaticContact CE3-CE1 3.89Å; W144-F146 HydrophobicContact CE3-CE1 3.89Å; W144-F146 AromaticContact CE3-CZ 3.97Å; W144-F146 HydrophobicContact CE3-CZ 3.97Å; W144-F146 HydrophobicContact CZ3-CE1 4.43Å; W144-F146 HydrophobicContact CZ3-CZ 4.23Å; W144-F146 PolarHBondContact O-N 2.95Å; W144-R235 VanDerWaalsContact CG-C 3.45Å; W144-R235 VanDerWaalsContact CG-CA 3.45Å; W144-R235 HydrophobicContact CG-CB 4.02Å; W144-D236 HydrophobicContact CD2-CB 4.07Å; W144-D236 HydrophobicContact CE3-CB 3.93Å; W144-D236 HydrophobicContact CH2-CB 3.56Å; W144-D236 HydrophobicContact CZ2-CB 3.69Å; W144-D236 HydrophobicContact CZ3-CB 3.66Å; W144-S293 WeakPolarHBondContact O-CB 3.27Å |
| 145 | R | 97.6 | Very high | 98.1 | Very high | 131 Ų | 131 | 43.2 Ų | 43.2 | 49% | 0.494 | 22% | 0.224 | S | C | . | . | trans | -84.1 | 60.8 | -179.9 | -67.8 | 178.3 | 67.7 | -167.9 | -5.6 | 111.9 | D142 Q295 | D142-R145 WeakPolarHBondContact OD1-CD 3.27Å; D142-R145 IonicContact OD1-CZ 3.15Å; D142-R145 IonicContact OD1-NE 3.17Å; D142-R145 IonicContact OD1-NH1 3.69Å; D142-R145 PolarHBondContact OD1-NH1 2.76Å; R145-Q295 VanDerWaalsContact CA-OE1 3.24Å | ||
| 146 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -143.8 | 159.1 | 177.5 | 66.7 | -98.7 | 0 | 0 | 0 | 111.2 | Y65 R125 F143 W144 E150 M151 S293 Q295 N296 | Y65-F146 HydrophobicContact CE1-CD1 4.17Å; Y65-F146 HydrophobicContact CE1-CE1 4.27Å; Y65-F146 WeakPolarHBondContact OH-CD1 3.44Å; R125-F146 HydrophobicContact CG-CD1 4.24Å; R125-F146 HydrophobicContact CG-CD2 3.61Å; R125-F146 HydrophobicContact CG-CE1 4.27Å; R125-F146 HydrophobicContact CG-CE2 3.69Å; R125-F146 HydrophobicContact CG-CG 3.92Å; R125-F146 HydrophobicContact CG-CZ 4.03Å; R125-F146 WeakPolarHBondContact O-CE2 3.4Å; R125-F146 VanDerWaalsContact O-CZ 3.28Å; R125-F146 WeakPolarHBondContact O-CZ 3.4Å; F143-F146 WeakPolarHBondContact O-CD1 3.4Å; F143-F146 WeakPolarHBondContact O-CE1 3.49Å; W144-F146 AromaticContact CE3-CE1 3.89Å; W144-F146 HydrophobicContact CE3-CE1 3.89Å; W144-F146 AromaticContact CE3-CZ 3.97Å; W144-F146 HydrophobicContact CE3-CZ 3.97Å; W144-F146 HydrophobicContact CZ3-CE1 4.43Å; W144-F146 HydrophobicContact CZ3-CZ 4.23Å; W144-F146 PolarHBondContact O-N 2.95Å; F146-E150 VanDerWaalsContact CA-OE2 3.24Å; F146-E150 WeakPolarHBondContact CA-OE2 3.34Å; F146-E150 HydrophobicContact CB-CB 4.09Å; F146-E150 HydrophobicContact CB-CG 4.14Å; F146-M151 HydrophobicContact CD2-CE 3.9Å; F146-M151 HydrophobicContact CE2-CE 3.57Å; F146-S293 WeakPolarHBondContact CE2-OG 3.46Å; F146-S293 PolarHBondContact O-OG 3.2Å; F146-Q295 WeakPolarHBondContact O-CB 3.33Å; F146-N296 PolarHBondContact O-N 2.96Å | ||
| 147 | S | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -132.6 | -166.4 | 168.6 | 73.3 | 0 | 0 | 0 | 0 | 110.6 | D149 E150 M151 N296 H299 | S147-D149 PolarHBondContact O-N 3.18Å; S147-D149 WeakPolarHBondContact OG-CB 3.18Å; S147-D149 PolarHBondContact OG-N 3.4Å; S147-E150 PolarHBondContact N-OE2 3.41Å; S147-E150 PolarHBondContact O-N 3Å; S147-M151 PolarHBondContact O-N 2.87Å; S147-N296 WeakPolarHBondContact CA-OD1 3.49Å; S147-H299 WeakPolarHBondContact CB-ND1 3.45Å; S147-H299 PolarHBondContact OG-ND1 2.7Å | ||
| 148 | Y | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -15.1 | 170.1 | 52.7 | -107.6 | 0 | 0 | 0 | 113.6 | M151 A152 T182 I186 N296 H299 W300 | Y148-M151 PolarHBondContact O-N 3.16Å; Y148-A152 WeakPolarHBondContact O-CB 3.44Å; Y148-A152 PolarHBondContact O-N 3.39Å; Y148-T182 HydrophobicContact CD2-CG2 4.25Å; Y148-T182 HydrophobicContact CE2-CG2 4.37Å; Y148-I186 HydrophobicContact CD2-CD1 3.67Å; Y148-I186 HydrophobicContact CE2-CD1 4.06Å; Y148-N296 WeakPolarHBondContact CD1-OD1 3.5Å; Y148-N296 PolarHBondContact N-OD1 3.23Å; Y148-H299 HydrophobicContact CD1-CB 4.42Å; Y148-H299 AromaticContact CD2-CE1 3.83Å; Y148-H299 AromaticContact CD2-ND1 3.78Å; Y148-H299 HydrophobicContact CE1-CB 3.75Å; Y148-H299 AromaticContact CE1-CG 3.59Å; Y148-H299 AromaticContact CE1-ND1 3.68Å; Y148-H299 AromaticContact CE2-CE1 3.13Å; Y148-H299 WeakPolarHBondContact CE2-CE1 3.4Å; Y148-H299 AromaticContact CE2-CG 3.92Å; Y148-H299 AromaticContact CE2-ND1 3.34Å; Y148-H299 VanDerWaalsContact CE2-ND1 3.34Å; Y148-H299 WeakPolarHBondContact CE2-ND1 3.11Å; Y148-H299 AromaticContact CE2-NE2 3.63Å; Y148-H299 AromaticContact CZ-CD2 3.53Å; Y148-H299 AromaticContact CZ-CE1 3.38Å; Y148-H299 AromaticContact CZ-CG 3.35Å; Y148-H299 AromaticContact CZ-ND1 3.29Å; Y148-H299 VanDerWaalsContact CZ-ND1 3.29Å; Y148-H299 AromaticContact CZ-NE2 3.54Å; Y148-H299 PolarHBondContact OH-CD2 2.94Å; Y148-H299 PolarHBondContact OH-NE2 3.47Å; Y148-W300 HydrophobicContact CD1-CD2 4.3Å; Y148-W300 AromaticContact CD1-CE2 3.66Å; Y148-W300 AromaticContact CD1-CZ2 3.92Å; Y148-W300 HydrophobicContact CD1-CZ2 3.92Å; Y148-W300 AromaticContact CD1-NE1 3.54Å; Y148-W300 AromaticContact CE1-CD1 3.97Å; Y148-W300 AromaticContact CE1-CD2 3.71Å; Y148-W300 HydrophobicContact CE1-CD2 3.71Å; Y148-W300 AromaticContact CE1-CE2 3.53Å; Y148-W300 HydrophobicContact CE1-CE3 4.24Å; Y148-W300 HydrophobicContact CE1-CG 4.02Å; Y148-W300 HydrophobicContact CE1-CH2 4.42Å; Y148-W300 AromaticContact CE1-CZ2 3.94Å; Y148-W300 HydrophobicContact CE1-CZ2 3.94Å; Y148-W300 AromaticContact CE1-NE1 3.69Å |
| 149 | D | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.3 | -57.2 | 169.6 | -77.9 | -7.7 | 0 | 0 | 0 | 111.3 | S147 M151 A152 L153 H299 A311 F312 Y323 F331 | S147-D149 PolarHBondContact O-N 3.18Å; S147-D149 WeakPolarHBondContact OG-CB 3.18Å; S147-D149 PolarHBondContact OG-N 3.4Å; D149-M151 VanDerWaalsContact C-N 3.27Å; D149-M151 PolarHBondContact O-N 2.87Å; D149-A152 PolarHBondContact O-N 3.49Å; D149-A152 VanDerWaalsContact O-N 3.16Å; D149-L153 WeakPolarHBondContact O-CB 3.36Å; D149-L153 WeakPolarHBondContact O-CG 3.36Å; D149-L153 PolarHBondContact O-N 3.42Å; D149-H299 IonicContact OD1-CE1 2.88Å; D149-H299 PolarHBondContact OD1-CE1 2.86Å; D149-H299 VanDerWaalsContact OD1-CE1 3.26Å; D149-H299 IonicContact OD1-ND1 3.48Å; D149-H299 IonicContact OD2-CE1 3.86Å; D149-H299 PolarHBondContact OD2-CE1 3.22Å; D149-A311 WeakPolarHBondContact OD2-CA 3.37Å; D149-A311 WeakPolarHBondContact OD2-CB 3.33Å; D149-F312 PolarHBondContact OD2-N 3.08Å; D149-Y323 PolarHBondContact OD2-OH 3.45Å; D149-F331 VanDerWaalsContact OD1-CE2 3.3Å; D149-F331 WeakPolarHBondContact OD1-CE2 3.44Å |
| 150 | E | 98.9 | Very high | 98.5 | Very high | 30 Ų | 30 | 28.4 Ų | 28.4 | 14% | 0.14 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.5 | -30.9 | 179.7 | -70.1 | 68 | -141.8 | 0 | 0 | 111.7 | F146 S147 A152 K154 D155 | F146-E150 VanDerWaalsContact CA-OE2 3.24Å; F146-E150 WeakPolarHBondContact CA-OE2 3.34Å; F146-E150 HydrophobicContact CB-CB 4.09Å; F146-E150 HydrophobicContact CB-CG 4.14Å; S147-E150 PolarHBondContact N-OE2 3.41Å; S147-E150 PolarHBondContact O-N 3Å; E150-A152 VanDerWaalsContact C-N 3.32Å; E150-A152 PolarHBondContact O-N 3.28Å; E150-K154 HydrophobicContact CB-CD 4.33Å; E150-K154 HydrophobicContact CG-CD 4.29Å; E150-K154 WeakPolarHBondContact O-CA 3.25Å; E150-K154 VanDerWaalsContact O-CB 3.24Å; E150-K154 WeakPolarHBondContact O-CB 3.24Å; E150-K154 PolarHBondContact O-N 2.85Å; E150-D155 PolarHBondContact O-N 3.37Å |
| 151 | M | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.02 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -61.8 | -42.3 | 173.1 | -61.4 | 176.6 | -171.7 | 0 | 0 | 111.1 | R125 F146 S147 Y148 D149 D155 L156 Q179 I183 | R125-M151 HydrophobicContact CG-CE 4.24Å; R125-M151 HydrophobicContact CG-CG 4.06Å; F146-M151 HydrophobicContact CD2-CE 3.9Å; F146-M151 HydrophobicContact CE2-CE 3.57Å; S147-M151 PolarHBondContact O-N 2.87Å; Y148-M151 PolarHBondContact O-N 3.16Å; D149-M151 VanDerWaalsContact C-N 3.27Å; D149-M151 PolarHBondContact O-N 2.87Å; M151-D155 WeakPolarHBondContact O-CB 3.45Å; M151-D155 PolarHBondContact O-N 2.88Å; M151-L156 PolarHBondContact O-N 3.27Å; M151-Q179 PolarHBondContact SD-NE2 3.34Å; M151-I183 HydrophobicContact CB-CD1 3.71Å; M151-I183 HydrophobicContact CB-CG1 3.93Å; M151-I183 HydrophobicContact CG-CD1 4.43Å; M151-I183 HydrophobicContact SD-CD1 3.93Å |
| 152 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -72 | -44.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y148 D149 E150 P157 I183 I186 A187 | Y148-A152 WeakPolarHBondContact O-CB 3.44Å; Y148-A152 PolarHBondContact O-N 3.39Å; D149-A152 PolarHBondContact O-N 3.49Å; D149-A152 VanDerWaalsContact O-N 3.16Å; E150-A152 VanDerWaalsContact C-N 3.32Å; E150-A152 PolarHBondContact O-N 3.28Å; A152-P157 WeakPolarHBondContact O-CD 3.49Å; A152-I183 HydrophobicContact CB-CG2 4.17Å; A152-I183 WeakPolarHBondContact CB-O 3.34Å; A152-I186 HydrophobicContact CB-CB 3.59Å; A152-I186 HydrophobicContact CB-CD1 4.33Å; A152-I186 HydrophobicContact CB-CG2 3.45Å; A152-I186 VanDerWaalsContact CB-CG2 3.45Å; A152-A187 HydrophobicContact CB-CB 4.31Å; A152-A187 WeakPolarHBondContact O-CB 3.3Å |
| 153 | L | 98.8 | Very high | 98.7 | Very high | 64 Ų | 64 | 21.9 Ų | 21.9 | 34% | 0.335 | 11% | 0.105 | S | C | . | . | I | π-helix | trans | -87.8 | -16.2 | -170.1 | -62.4 | 176.1 | 0 | 0 | 0 | 113.3 | D149 P157 I186 L191 | D149-L153 WeakPolarHBondContact O-CB 3.36Å; D149-L153 WeakPolarHBondContact O-CG 3.36Å; D149-L153 PolarHBondContact O-N 3.42Å; L153-P157 WeakPolarHBondContact O-CG 3.37Å; L153-I186 HydrophobicContact CD2-CG2 4.29Å; L153-L191 HydrophobicContact CD2-CD1 4.38Å; L153-L191 HydrophobicContact CD2-CG 4.48Å |
| 154 | K | 98.8 | Very high | 98.7 | Very high | 49 Ų | 49 | 22.8 Ų | 22.8 | 21% | 0.213 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -133.5 | -46.1 | -173.5 | -52.2 | -176.3 | 176.7 | 164.3 | 0 | 114.4 | E62 D63 E150 A158 | E62-K154 HydrophobicContact CG-CB 4.27Å; E62-K154 HydrophobicContact CG-CD 4.2Å; E62-K154 HydrophobicContact CG-CG 4.11Å; E62-K154 WeakPolarHBondContact OE1-CG 3.47Å; D63-K154 HydrophobicContact CB-CD 3.91Å; D63-K154 WeakPolarHBondContact OD2-CD 3.46Å; D63-K154 IonicContact OD2-NZ 3.4Å; D63-K154 PolarHBondContact OD2-NZ 3Å; E150-K154 HydrophobicContact CB-CD 4.33Å; E150-K154 HydrophobicContact CG-CD 4.29Å; E150-K154 WeakPolarHBondContact O-CA 3.25Å; E150-K154 VanDerWaalsContact O-CB 3.24Å; E150-K154 WeakPolarHBondContact O-CB 3.24Å; E150-K154 PolarHBondContact O-N 2.85Å; K154-A158 WeakPolarHBondContact O-CB 3.28Å; K154-A158 PolarHBondContact O-N 3.09Å |
| 155 | D | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -66.4 | -54.5 | 178.1 | -67.5 | 3.1 | 0 | 0 | 0 | 110.1 | T61 L67 R125 E150 M151 A158 V159 | T61-D155 WeakPolarHBondContact CG2-OD1 3.48Å; L67-D155 HydrophobicContact CD1-CB 3.59Å; R125-D155 WeakPolarHBondContact CB-OD2 3.31Å; R125-D155 WeakPolarHBondContact CG-OD2 3.33Å; R125-D155 IonicContact CZ-OD1 3.69Å; R125-D155 PolarHBondContact N-OD2 2.94Å; R125-D155 IonicContact NE-OD1 3.92Å; R125-D155 PolarHBondContact NE-OD1 3.31Å; R125-D155 IonicContact NE-OD2 2.6Å; R125-D155 PolarHBondContact NE-OD2 3.28Å; R125-D155 IonicContact NH2-OD1 2.82Å; R125-D155 PolarHBondContact NH2-OD1 2.68Å; E150-D155 PolarHBondContact O-N 3.37Å; M151-D155 WeakPolarHBondContact O-CB 3.45Å; M151-D155 PolarHBondContact O-N 2.88Å; D155-A158 PolarHBondContact O-N 3.28Å; D155-V159 WeakPolarHBondContact O-CG2 3.26Å; D155-V159 PolarHBondContact O-N 2.9Å |
| 156 | L | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | -172.9 | -176.3 | 56.7 | 0 | 0 | 0 | 113.3 | F87 M151 A158 V159 I160 Y174 I183 A187 F188 L194 | F87-L156 HydrophobicContact CD1-CD1 4.3Å; F87-L156 HydrophobicContact CE1-CD1 3.8Å; M151-L156 PolarHBondContact O-N 3.27Å; L156-A158 PolarHBondContact O-N 2.9Å; L156-V159 PolarHBondContact O-N 3.14Å; L156-I160 HydrophobicContact CD1-CD1 3.53Å; L156-I160 HydrophobicContact CD1-CG1 3.82Å; L156-I160 HydrophobicContact CD2-CD1 4.41Å; L156-I160 HydrophobicContact CG-CD1 3.71Å; L156-I160 HydrophobicContact CG-CG1 4.4Å; L156-I160 WeakPolarHBondContact O-CB 3.49Å; L156-I160 WeakPolarHBondContact O-CG1 3.18Å; L156-I160 PolarHBondContact O-N 2.81Å; L156-Y174 HydrophobicContact CD1-CD2 4.23Å; L156-Y174 HydrophobicContact CD1-CE2 3.59Å; L156-Y174 HydrophobicContact CD2-CE2 4.03Å; L156-Y174 HydrophobicContact CG-CE2 4.5Å; L156-I183 HydrophobicContact CB-CG2 4.09Å; L156-I183 HydrophobicContact CD2-CG2 3.82Å; L156-I183 HydrophobicContact CG-CG2 4.5Å; L156-A187 HydrophobicContact CD2-CB 3.66Å; L156-A187 HydrophobicContact CG-CB 4.49Å; L156-F188 HydrophobicContact CD2-CE1 3.89Å; L156-F188 HydrophobicContact CD2-CZ 4.03Å; L156-L194 HydrophobicContact CG-CD2 4.29Å |
| 157 | P | 98.9 | Very high | 98.6 | Very high | 22 Ų | 22 | 29.4 Ų | 29.4 | 14% | 0.143 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -42 | 173.8 | -22.3 | 31.9 | 0 | 0 | 0 | 113.3 | A152 L153 N161 L191 L194 | A152-P157 WeakPolarHBondContact O-CD 3.49Å; L153-P157 WeakPolarHBondContact O-CG 3.37Å; P157-N161 VanDerWaalsContact O-CB 3.28Å; P157-N161 WeakPolarHBondContact O-CB 3.46Å; P157-N161 PolarHBondContact O-N 2.71Å; P157-N161 PolarHBondContact O-ND2 3.21Å; P157-L191 HydrophobicContact CG-CD1 3.67Å; P157-L194 HydrophobicContact CB-CD1 4.22Å; P157-L194 HydrophobicContact CB-CD2 4.31Å; P157-L194 HydrophobicContact CG-CD2 3.91Å |
| 158 | A | 98.9 | Very high | 98.5 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 16% | 0.157 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V59 T61 K154 D155 L156 H162 | V59-A158 HydrophobicContact CG1-CB 3.85Å; T61-A158 HydrophobicContact CG2-CB 4.29Å; K154-A158 WeakPolarHBondContact O-CB 3.28Å; K154-A158 PolarHBondContact O-N 3.09Å; D155-A158 PolarHBondContact O-N 3.28Å; L156-A158 PolarHBondContact O-N 2.9Å; A158-H162 WeakPolarHBondContact O-CB 3.31Å; A158-H162 PolarHBondContact O-N 3.46Å |
| 159 | V | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.8 | -48.5 | -179.8 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | V59 L67 I69 F87 D155 L156 N161 H162 I163 | V59-V159 HydrophobicContact CB-CG2 4.47Å; V59-V159 HydrophobicContact CG1-CG2 4.2Å; L67-V159 HydrophobicContact CD1-CG2 3.81Å; I69-V159 HydrophobicContact CD1-CG1 4.02Å; I69-V159 HydrophobicContact CG2-CG1 4.39Å; I69-V159 HydrophobicContact CG2-CG2 4.17Å; F87-V159 HydrophobicContact CD2-CG1 4.1Å; F87-V159 HydrophobicContact CE1-CG1 4.34Å; F87-V159 HydrophobicContact CE2-CG1 3.44Å; F87-V159 VanDerWaalsContact CE2-CG1 3.44Å; F87-V159 HydrophobicContact CZ-CB 4.49Å; F87-V159 HydrophobicContact CZ-CG1 3.58Å; D155-V159 WeakPolarHBondContact O-CG2 3.26Å; D155-V159 PolarHBondContact O-N 2.9Å; L156-V159 PolarHBondContact O-N 3.14Å; V159-N161 PolarHBondContact O-N 3.23Å; V159-H162 WeakPolarHBondContact O-CB 3.49Å; V159-H162 PolarHBondContact O-N 2.9Å; V159-I163 HydrophobicContact CG1-CD1 3.82Å; V159-I163 HydrophobicContact CG1-CG1 4.42Å; V159-I163 VanDerWaalsContact O-CG1 3.31Å; V159-I163 WeakPolarHBondContact O-CG1 3.32Å; V159-I163 PolarHBondContact O-N 3.2Å |
| 160 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 178.9 | -71.2 | 168.9 | 0 | 0 | 0 | 110.6 | L156 H162 I163 L164 I172 F188 L194 K197 I198 | L156-I160 HydrophobicContact CD1-CD1 3.53Å; L156-I160 HydrophobicContact CD1-CG1 3.82Å; L156-I160 HydrophobicContact CD2-CD1 4.41Å; L156-I160 HydrophobicContact CG-CD1 3.71Å; L156-I160 HydrophobicContact CG-CG1 4.4Å; L156-I160 WeakPolarHBondContact O-CB 3.49Å; L156-I160 WeakPolarHBondContact O-CG1 3.18Å; L156-I160 PolarHBondContact O-N 2.81Å; I160-H162 VanDerWaalsContact C-N 3.28Å; I160-H162 PolarHBondContact O-N 3.47Å; I160-I163 PolarHBondContact O-N 3.02Å; I160-L164 HydrophobicContact CG2-CD1 3.69Å; I160-L164 HydrophobicContact CG2-CG 4.23Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.45Å; I160-L164 PolarHBondContact O-N 2.86Å; I160-I172 HydrophobicContact CG1-CD1 4.04Å; I160-I172 HydrophobicContact CG2-CD1 4.31Å; I160-F188 HydrophobicContact CD1-CE1 4.06Å; I160-F188 HydrophobicContact CD1-CZ 4.45Å; I160-L194 HydrophobicContact CB-CD1 3.91Å; I160-L194 HydrophobicContact CD1-CD1 3.76Å; I160-L194 HydrophobicContact CD1-CD2 4.02Å; I160-L194 HydrophobicContact CD1-CG 3.89Å; I160-L194 HydrophobicContact CG1-CD1 4.43Å; I160-L194 HydrophobicContact CG2-CD1 3.89Å; I160-K197 HydrophobicContact CG2-CB 4.24Å; I160-K197 HydrophobicContact CG2-CD 4.42Å; I160-I198 HydrophobicContact CD1-CD1 3.76Å; I160-I198 HydrophobicContact CG1-CD1 4.48Å |
| 161 | N | 98.8 | Very high | 98.3 | Very high | 71 Ų | 71 | 44.5 Ų | 44.5 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.5 | -35.7 | 179.5 | -72.2 | -34.5 | 0 | 0 | 0 | 111.9 | P157 V159 K165 K197 | P157-N161 VanDerWaalsContact O-CB 3.28Å; P157-N161 WeakPolarHBondContact O-CB 3.46Å; P157-N161 PolarHBondContact O-N 2.71Å; P157-N161 PolarHBondContact O-ND2 3.21Å; V159-N161 PolarHBondContact O-N 3.23Å; N161-K165 VanDerWaalsContact O-CB 3.31Å; N161-K165 WeakPolarHBondContact O-CB 3.44Å; N161-K165 PolarHBondContact O-N 3.38Å; N161-K197 PolarHBondContact OD1-NZ 2.99Å |
| 162 | H | 98.9 | Very high | 98.3 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 23% | 0.231 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 172.7 | -179.4 | 85.2 | 0 | 0 | 0 | 111.8 | H57 V59 A158 V159 I160 K165 A166 | H57-H162 AromaticContact CG-NE2 3.64Å; H57-H162 AromaticContact ND1-CE1 3.88Å; H57-H162 AromaticContact ND1-NE2 3.14Å; H57-H162 PolarHBondContact ND1-NE2 2.91Å; H57-H162 VanDerWaalsContact ND1-NE2 3.14Å; V59-H162 HydrophobicContact CG1-CB 4.16Å; V59-H162 HydrophobicContact CG2-CB 3.88Å; A158-H162 WeakPolarHBondContact O-CB 3.31Å; A158-H162 PolarHBondContact O-N 3.46Å; V159-H162 WeakPolarHBondContact O-CB 3.49Å; V159-H162 PolarHBondContact O-N 2.9Å; I160-H162 VanDerWaalsContact C-N 3.28Å; I160-H162 PolarHBondContact O-N 3.47Å; H162-K165 PolarHBondContact O-N 2.87Å; H162-A166 WeakPolarHBondContact O-CB 3.45Å; H162-A166 PolarHBondContact O-N 2.88Å |
| 163 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -48.5 | 179.5 | -65.4 | 169 | 0 | 0 | 0 | 110.9 | A85 F87 W120 V159 I160 K165 A166 T167 I172 | A85-I163 HydrophobicContact CB-CG2 3.95Å; F87-I163 HydrophobicContact CB-CD1 4.11Å; F87-I163 HydrophobicContact CD2-CD1 3.56Å; F87-I163 HydrophobicContact CE2-CD1 4.24Å; F87-I163 HydrophobicContact CG-CD1 4Å; W120-I163 HydrophobicContact CB-CD1 3.71Å; W120-I163 HydrophobicContact CB-CG1 4.28Å; W120-I163 HydrophobicContact CD2-CB 4.43Å; W120-I163 HydrophobicContact CD2-CD1 4.11Å; W120-I163 HydrophobicContact CD2-CG1 3.65Å; W120-I163 HydrophobicContact CD2-CG2 4.14Å; W120-I163 HydrophobicContact CE3-CD1 4.34Å; W120-I163 HydrophobicContact CE3-CG1 3.74Å; W120-I163 HydrophobicContact CG-CD1 3.86Å; W120-I163 HydrophobicContact CG-CG1 3.91Å; W120-I163 HydrophobicContact CG-CG2 4.09Å; W120-I163 HydrophobicContact CZ2-CG2 4.48Å; W120-I163 HydrophobicContact CZ3-CG1 4.26Å; V159-I163 HydrophobicContact CG1-CD1 3.82Å; V159-I163 HydrophobicContact CG1-CG1 4.42Å; V159-I163 VanDerWaalsContact O-CG1 3.31Å; V159-I163 WeakPolarHBondContact O-CG1 3.32Å; V159-I163 PolarHBondContact O-N 3.2Å; I160-I163 PolarHBondContact O-N 3.02Å; I163-K165 VanDerWaalsContact C-N 3.3Å; I163-K165 PolarHBondContact O-N 3.21Å; I163-A166 PolarHBondContact O-N 3.16Å; I163-T167 HydrophobicContact CG2-CG2 4.2Å; I163-T167 WeakPolarHBondContact O-CB 3.03Å; I163-T167 VanDerWaalsContact O-CG2 3.28Å; I163-T167 WeakPolarHBondContact O-CG2 3.39Å; I163-T167 PolarHBondContact O-N 3.09Å; I163-T167 PolarHBondContact O-OG1 3.24Å; I163-I172 HydrophobicContact CD1-CD1 4.33Å; I163-I172 HydrophobicContact CG2-CD1 4.48Å; I163-I172 HydrophobicContact CG2-CG2 3.98Å |
| 164 | L | 98.6 | Very high | 98.3 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -42.7 | 178.8 | -66.1 | 166.3 | 0 | 0 | 0 | 111.2 | I160 G168 Q169 I172 K197 | I160-L164 HydrophobicContact CG2-CD1 3.69Å; I160-L164 HydrophobicContact CG2-CG 4.23Å; I160-L164 VanDerWaalsContact O-CG 3.28Å; I160-L164 WeakPolarHBondContact O-CG 3.45Å; I160-L164 PolarHBondContact O-N 2.86Å; L164-G168 WeakPolarHBondContact O-CA 3.42Å; L164-G168 PolarHBondContact O-N 3.02Å; L164-Q169 HydrophobicContact CD2-CB 4.49Å; L164-Q169 WeakPolarHBondContact CD2-O 3.37Å; L164-Q169 PolarHBondContact O-N 2.9Å; L164-I172 HydrophobicContact CD2-CG2 3.72Å; L164-I172 HydrophobicContact CG-CG2 4.41Å; L164-K197 HydrophobicContact CD1-CB 3.87Å; L164-K197 HydrophobicContact CD1-CD 3.57Å; L164-K197 HydrophobicContact CD1-CG 3.8Å |
| 165 | K | 98.3 | Very high | 98.3 | Very high | 184 Ų | 184 | 39 Ų | 39 | 80% | 0.8 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65.3 | -43.3 | 176.5 | -177.2 | -178.6 | 177 | -175.1 | 0 | 112.4 | N161 H162 I163 T167 | N161-K165 VanDerWaalsContact O-CB 3.31Å; N161-K165 WeakPolarHBondContact O-CB 3.44Å; N161-K165 PolarHBondContact O-N 3.38Å; H162-K165 PolarHBondContact O-N 2.87Å; I163-K165 VanDerWaalsContact C-N 3.3Å; I163-K165 PolarHBondContact O-N 3.21Å; K165-T167 VanDerWaalsContact C-N 3.34Å |
| 166 | A | 97.6 | Very high | 98.3 | Very high | 52 Ų | 52 | 38.7 Ų | 38.7 | 43% | 0.43 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69 | -34.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W120 H162 I163 | W120-A166 HydrophobicContact CH2-CB 3.8Å; W120-A166 HydrophobicContact CZ2-CB 4Å; H162-A166 WeakPolarHBondContact O-CB 3.45Å; H162-A166 PolarHBondContact O-N 2.88Å; I163-A166 PolarHBondContact O-N 3.16Å |
| 167 | T | 96.4 | Very high | 98.3 | Very high | 35 Ų | 35 | 38.8 Ų | 38.8 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -96 | -21.4 | -175.6 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | A85 D118 W120 I163 K165 Q169 | A85-T167 HydrophobicContact CB-CG2 4.34Å; D118-T167 VanDerWaalsContact OD2-CG2 3.26Å; D118-T167 WeakPolarHBondContact OD2-CG2 3.31Å; W120-T167 HydrophobicContact CZ2-CG2 3.91Å; I163-T167 HydrophobicContact CG2-CG2 4.2Å; I163-T167 WeakPolarHBondContact O-CB 3.03Å; I163-T167 VanDerWaalsContact O-CG2 3.28Å; I163-T167 WeakPolarHBondContact O-CG2 3.39Å; I163-T167 PolarHBondContact O-N 3.09Å; I163-T167 PolarHBondContact O-OG1 3.24Å; K165-T167 VanDerWaalsContact C-N 3.34Å; T167-Q169 PolarHBondContact O-N 2.59Å; T167-Q169 PolarHBondContact OG1-N 2.81Å |
| 168 | G | 96.7 | Very high | 98.3 | Very high | 66 Ų | 66 | 37.9 Ų | 37.9 | 68% | 0.68 | 21% | 0.21 | S | C | * | . | trans | 72.2 | 11.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | L164 | L164-G168 WeakPolarHBondContact O-CA 3.42Å; L164-G168 PolarHBondContact O-N 3.02Å | ||
| 169 | Q | 96.4 | Very high | 98.2 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | trans | -81.7 | 153.5 | 177.2 | -67.6 | -178.4 | 50.4 | 0 | 0 | 111.4 | R83 A85 L164 T167 Q171 | R83-Q169 PolarHBondContact O-NE2 2.91Å; A85-Q169 VanDerWaalsContact N-NE2 3.17Å; L164-Q169 HydrophobicContact CD2-CB 4.49Å; L164-Q169 WeakPolarHBondContact CD2-O 3.37Å; L164-Q169 PolarHBondContact O-N 2.9Å; T167-Q169 PolarHBondContact O-N 2.59Å; T167-Q169 PolarHBondContact OG1-N 2.81Å; Q169-Q171 PolarHBondContact OE1-O 3.07Å | ||
| 170 | E | 97.4 | Very high | 98.2 | Very high | 173 Ų | 173 | 37 Ų | 37 | 81% | 0.808 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -89.2 | -28.9 | 175.3 | -63.7 | -176.2 | 167.5 | 0 | 0 | 112.5 | ||
| 171 | Q | 98.3 | Very high | 98.2 | Very high | 67 Ų | 67 | 37 Ų | 37 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | trans | -140.6 | 153.8 | 179.2 | -59.1 | -176.3 | -61.7 | 0 | 0 | 111.1 | Q169 S196 K197 R199 | Q169-Q171 PolarHBondContact OE1-O 3.07Å; Q171-S196 PolarHBondContact NE2-O 2.65Å; Q171-K197 CarbonylContact C-O 3.58Å; Q171-K197 WeakPolarHBondContact CA-O 3.44Å; Q171-R199 HydrophobicContact CB-CB 4.15Å | ||
| 172 | I | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 165.7 | 174.4 | 70.8 | 175.1 | 0 | 0 | 0 | 111.2 | A85 F87 I160 I163 L164 K197 I198 R199 | A85-I172 HydrophobicContact CB-CB 4.23Å; A85-I172 HydrophobicContact CB-CG2 3.72Å; F87-I172 HydrophobicContact CB-CD1 3.86Å; I160-I172 HydrophobicContact CG1-CD1 4.04Å; I160-I172 HydrophobicContact CG2-CD1 4.31Å; I163-I172 HydrophobicContact CD1-CD1 4.33Å; I163-I172 HydrophobicContact CG2-CD1 4.48Å; I163-I172 HydrophobicContact CG2-CG2 3.98Å; L164-I172 HydrophobicContact CD2-CG2 3.72Å; L164-I172 HydrophobicContact CG-CG2 4.41Å; I172-K197 PolarHBondContact N-O 3.32Å; I172-I198 HydrophobicContact CD1-CD1 4.39Å; I172-I198 HydrophobicContact CG1-CD1 3.83Å; I172-R199 WeakPolarHBondContact O-CB 3.4Å; I172-R199 PolarHBondContact O-N 2.93Å |
| 173 | F | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 144.6 | 165.1 | -64 | -78.4 | 0 | 0 | 0 | 110.4 | A85 V86 F87 Y117 R199 L200 F202 L398 H401 | A85-F173 PolarHBondContact O-N 2.84Å; V86-F173 HydrophobicContact CB-CB 4.4Å; V86-F173 HydrophobicContact CG1-CB 4.25Å; V86-F173 HydrophobicContact CG2-CB 4.05Å; V86-F173 HydrophobicContact CG2-CD2 4.14Å; V86-F173 HydrophobicContact CG2-CG 4.48Å; F87-F173 PolarHBondContact N-O 3.23Å; Y117-F173 HydrophobicContact CE1-CE2 4.37Å; F173-R199 HydrophobicContact CD1-CB 4.23Å; F173-R199 HydrophobicContact CD1-CG 4.26Å; F173-R199 HydrophobicContact CE1-CB 4.16Å; F173-R199 HydrophobicContact CE1-CG 3.7Å; F173-R199 HydrophobicContact CZ-CG 4Å; F173-L200 HydrophobicContact CD1-CB 3.9Å; F173-L200 HydrophobicContact CE1-CB 4.06Å; F173-F202 HydrophobicContact CD1-CE2 4.19Å; F173-L398 HydrophobicContact CB-CD2 3.74Å; F173-L398 HydrophobicContact CD1-CD2 3.4Å; F173-L398 HydrophobicContact CD2-CD2 3.72Å; F173-L398 HydrophobicContact CE1-CD2 3.8Å; F173-L398 HydrophobicContact CE2-CD2 4.09Å; F173-L398 HydrophobicContact CG-CD2 3.33Å; F173-L398 HydrophobicContact CZ-CD2 4.11Å; F173-H401 HydrophobicContact CE1-CB 3.89Å; F173-H401 HydrophobicContact CZ-CB 4.26Å |
| 174 | Y | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128.9 | 176.2 | -175.5 | -76.8 | 0 | 0 | 0 | 109.9 | F87 Q89 L156 G180 A184 F188 L200 F201 F202 | F87-Y174 AromaticContact CD1-CD2 3.58Å; F87-Y174 HydrophobicContact CD1-CD2 3.58Å; F87-Y174 AromaticContact CD1-CE2 3.52Å; F87-Y174 HydrophobicContact CD1-CE2 3.52Å; F87-Y174 HydrophobicContact CE1-CD2 4.25Å; F87-Y174 AromaticContact CE1-CE2 3.71Å; F87-Y174 HydrophobicContact CE1-CE2 3.71Å; Q89-Y174 HydrophobicContact CB-CE1 4.34Å; Q89-Y174 HydrophobicContact CB-CE2 4.11Å; Q89-Y174 WeakPolarHBondContact CB-OH 3.2Å; Q89-Y174 VanDerWaalsContact CG-OH 3.25Å; Q89-Y174 WeakPolarHBondContact CG-OH 3.19Å; L156-Y174 HydrophobicContact CD1-CD2 4.23Å; L156-Y174 HydrophobicContact CD1-CE2 3.59Å; L156-Y174 HydrophobicContact CD2-CE2 4.03Å; L156-Y174 HydrophobicContact CG-CE2 4.5Å; Y174-G180 PolarHBondContact OH-O 3.2Å; Y174-A184 HydrophobicContact CD1-CB 4.15Å; Y174-A184 HydrophobicContact CE1-CB 3.57Å; Y174-F188 HydrophobicContact CD1-CE2 4.35Å; Y174-F188 HydrophobicContact CD2-CE2 4.35Å; Y174-F188 AromaticContact CD2-CZ 3.81Å; Y174-F188 HydrophobicContact CD2-CZ 3.81Å; Y174-F188 HydrophobicContact CE2-CZ 4.26Å; Y174-F188 HydrophobicContact CG-CE2 4.1Å; Y174-F188 AromaticContact CG-CZ 3.99Å; Y174-F188 HydrophobicContact CG-CZ 3.99Å; Y174-L200 PolarHBondContact N-O 3.17Å; Y174-L200 VanDerWaalsContact N-O 3.09Å; Y174-F201 AromaticContact CD1-CD2 3.46Å; Y174-F201 HydrophobicContact CD1-CD2 3.46Å; Y174-F201 VanDerWaalsContact CD1-CD2 3.46Å; Y174-F201 AromaticContact CD1-CE2 3.67Å; Y174-F201 HydrophobicContact CD1-CE2 3.67Å; Y174-F201 HydrophobicContact CD1-CG 4.47Å; Y174-F201 HydrophobicContact CE1-CD2 4.07Å; Y174-F201 AromaticContact CE1-CE2 3.79Å; Y174-F201 HydrophobicContact CE1-CE2 3.79Å; Y174-F201 HydrophobicContact CG-CD2 4.38Å; Y174-F201 CarbonylContact O-C 3.57Å; Y174-F201 WeakPolarHBondContact O-CA 3.46Å; Y174-F202 PolarHBondContact O-N 2.94Å |
| 175 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.8 | 171.4 | -47.6 | -171.3 | 0 | 0 | 0 | 108.1 | V86 F87 L88 Q89 W99 L108 L112 F202 L204 I394 | V86-I175 HydrophobicContact CG1-CD1 3.78Å; V86-I175 HydrophobicContact CG1-CG1 3.9Å; F87-I175 PolarHBondContact O-N 3.07Å; L88-I175 CarbonylContact C-O 3.53Å; L88-I175 WeakPolarHBondContact CA-O 3.43Å; L88-I175 HydrophobicContact CD2-CB 3.66Å; L88-I175 HydrophobicContact CD2-CD1 3.84Å; L88-I175 HydrophobicContact CD2-CG1 3.95Å; L88-I175 HydrophobicContact CD2-CG2 4.32Å; Q89-I175 PolarHBondContact N-O 3.19Å; W99-I175 HydrophobicContact CH2-CG2 4.25Å; L108-I175 HydrophobicContact CD2-CD1 4.17Å; L108-I175 HydrophobicContact CD2-CG2 4.15Å; L112-I175 HydrophobicContact CD1-CD1 4.12Å; I175-F202 WeakPolarHBondContact CA-O 3.48Å; I175-F202 HydrophobicContact CB-CB 4.18Å; I175-F202 HydrophobicContact CD1-CD2 4.3Å; I175-F202 HydrophobicContact CD1-CG 4.45Å; I175-F202 HydrophobicContact CG1-CB 3.94Å; I175-F202 HydrophobicContact CG1-CD2 3.8Å; I175-F202 HydrophobicContact CG1-CG 4.08Å; I175-F202 HydrophobicContact CG2-CB 3.97Å; I175-L204 HydrophobicContact CG2-CD1 3.81Å; I175-L204 HydrophobicContact CG2-CG 4.03Å; I175-I394 HydrophobicContact CD1-CG2 3.94Å |
| 176 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 143 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q89 T181 F202 L204 | Q89-G176 WeakPolarHBondContact O-CA 3.46Å; G176-T181 WeakPolarHBondContact O-CG2 3.3Å; G176-F202 PolarHBondContact N-O 2.8Å; G176-L204 PolarHBondContact O-N 3.11Å |
| 177 | H | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.4 | 167.4 | 169 | -110.8 | 0 | 0 | 0 | 110.3 | Q89 G91 W99 Q179 G180 L204 H377 I381 | Q89-H177 PolarHBondContact O-N 3.47Å; G91-H177 WeakPolarHBondContact CA-O 3.43Å; G91-H177 PolarHBondContact N-O 2.64Å; W99-H177 HydrophobicContact CH2-CB 3.75Å; W99-H177 HydrophobicContact CZ2-CB 4.01Å; H177-Q179 PolarHBondContact O-N 3.12Å; H177-G180 WeakPolarHBondContact O-CA 3.33Å; H177-G180 PolarHBondContact O-N 3.08Å; H177-L204 VanDerWaalsContact CA-O 3.31Å; H177-L204 WeakPolarHBondContact CA-O 3.37Å; H177-L204 HydrophobicContact CB-CB 4.46Å; H177-H377 AromaticContact NE2-CD2 3.89Å; H177-H377 AromaticContact NE2-NE2 3.89Å; H177-H377 PolarHBondContact NE2-O 3.23Å; H177-I381 HydrophobicContact CB-CG2 4.22Å |
| 178 | S | 97.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 17.6 Ų | 17.6 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | -125.2 | 170.9 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | G180 T181 L204 A205 H377 | S178-G180 PolarHBondContact O-N 2.58Å; S178-T181 WeakPolarHBondContact O-CA 3.42Å; S178-T181 VanDerWaalsContact O-CB 3.32Å; S178-T181 WeakPolarHBondContact O-CB 3.14Å; S178-T181 PolarHBondContact O-N 3.48Å; S178-T181 PolarHBondContact O-OG1 3.15Å; S178-L204 PolarHBondContact N-O 2.89Å; S178-A205 WeakPolarHBondContact CA-O 3.39Å; S178-H377 WeakPolarHBondContact CB-NE2 3.49Å; S178-H377 PolarHBondContact OG-NE2 3.1Å |
| 179 | Q | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -52.3 | -28.5 | 174.1 | -177.4 | 178.1 | -77.4 | 0 | 0 | 113.8 | L92 M151 H177 T181 T182 I183 N296 W300 | L92-Q179 HydrophobicContact CB-CB 4.07Å; M151-Q179 PolarHBondContact SD-NE2 3.34Å; H177-Q179 PolarHBondContact O-N 3.12Å; Q179-T181 PolarHBondContact O-N 3.05Å; Q179-T182 WeakPolarHBondContact O-CB 3.42Å; Q179-T182 PolarHBondContact O-N 2.92Å; Q179-T182 VanDerWaalsContact O-N 3.07Å; Q179-I183 HydrophobicContact CG-CD1 4.15Å; Q179-I183 HydrophobicContact CG-CG1 4.32Å; Q179-I183 VanDerWaalsContact O-CG1 3.3Å; Q179-I183 WeakPolarHBondContact O-CG1 3.37Å; Q179-I183 PolarHBondContact O-N 3.47Å; Q179-N296 PolarHBondContact OE1-ND2 2.95Å; Q179-W300 HydrophobicContact CB-CZ2 3.98Å; Q179-W300 HydrophobicContact CG-CZ2 3.9Å |
| 180 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.7 | -34.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | H90 Y174 H177 S178 A184 | H90-G180 WeakPolarHBondContact O-CA 3.25Å; H90-G180 PolarHBondContact O-N 3.19Å; Y174-G180 PolarHBondContact OH-O 3.2Å; H177-G180 WeakPolarHBondContact O-CA 3.33Å; H177-G180 PolarHBondContact O-N 3.08Å; S178-G180 PolarHBondContact O-N 2.58Å; G180-A184 PolarHBondContact O-N 2.85Å; G180-A184 VanDerWaalsContact O-N 3.15Å |
| 181 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -70.1 | -39.5 | 173.1 | 72 | 0 | 0 | 0 | 0 | 112.5 | G176 S178 Q179 I183 A184 F185 F201 P206 V207 | G176-T181 WeakPolarHBondContact O-CG2 3.3Å; S178-T181 WeakPolarHBondContact O-CA 3.42Å; S178-T181 VanDerWaalsContact O-CB 3.32Å; S178-T181 WeakPolarHBondContact O-CB 3.14Å; S178-T181 PolarHBondContact O-N 3.48Å; S178-T181 PolarHBondContact O-OG1 3.15Å; Q179-T181 PolarHBondContact O-N 3.05Å; T181-I183 VanDerWaalsContact C-N 3.34Å; T181-I183 PolarHBondContact O-N 3.36Å; T181-A184 WeakPolarHBondContact O-CB 3.43Å; T181-A184 PolarHBondContact O-N 3.29Å; T181-F185 WeakPolarHBondContact O-CD2 3.37Å; T181-F185 WeakPolarHBondContact O-CG 3.34Å; T181-F185 PolarHBondContact O-N 2.66Å; T181-F201 HydrophobicContact CG2-CZ 4.34Å; T181-P206 HydrophobicContact CG2-CB 4.38Å; T181-P206 WeakPolarHBondContact OG1-CA 3.38Å; T181-V207 PolarHBondContact OG1-N 3.16Å |
| 182 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 174.7 | -46.6 | 0 | 0 | 0 | 0 | 111.1 | Y148 Q179 A184 F185 I186 V207 W300 L309 | Y148-T182 HydrophobicContact CD2-CG2 4.25Å; Y148-T182 HydrophobicContact CE2-CG2 4.37Å; Q179-T182 WeakPolarHBondContact O-CB 3.42Å; Q179-T182 PolarHBondContact O-N 2.92Å; Q179-T182 VanDerWaalsContact O-N 3.07Å; T182-A184 VanDerWaalsContact C-N 3.29Å; T182-A184 PolarHBondContact O-N 2.94Å; T182-F185 PolarHBondContact O-N 3.15Å; T182-I186 HydrophobicContact CG2-CD1 4.1Å; T182-I186 WeakPolarHBondContact O-CG1 3.34Å; T182-I186 PolarHBondContact O-N 3.37Å; T182-V207 WeakPolarHBondContact CA-O 3.47Å; T182-V207 WeakPolarHBondContact CB-O 3.37Å; T182-V207 PolarHBondContact OG1-O 3.3Å; T182-W300 HydrophobicContact CG2-CH2 4.16Å; T182-L309 HydrophobicContact CG2-CD1 3.65Å |
| 183 | I | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.1 | -45.8 | 175.8 | -68.8 | 166.6 | 0 | 0 | 0 | 110.2 | M151 A152 L156 Q179 T181 A187 | M151-I183 HydrophobicContact CB-CD1 3.71Å; M151-I183 HydrophobicContact CB-CG1 3.93Å; M151-I183 HydrophobicContact CG-CD1 4.43Å; M151-I183 HydrophobicContact SD-CD1 3.93Å; A152-I183 HydrophobicContact CB-CG2 4.17Å; A152-I183 WeakPolarHBondContact CB-O 3.34Å; L156-I183 HydrophobicContact CB-CG2 4.09Å; L156-I183 HydrophobicContact CD2-CG2 3.82Å; L156-I183 HydrophobicContact CG-CG2 4.5Å; Q179-I183 HydrophobicContact CG-CD1 4.15Å; Q179-I183 HydrophobicContact CG-CG1 4.32Å; Q179-I183 VanDerWaalsContact O-CG1 3.3Å; Q179-I183 WeakPolarHBondContact O-CG1 3.37Å; Q179-I183 PolarHBondContact O-N 3.47Å; T181-I183 VanDerWaalsContact C-N 3.34Å; T181-I183 PolarHBondContact O-N 3.36Å; I183-A187 VanDerWaalsContact O-CB 3.28Å; I183-A187 WeakPolarHBondContact O-CB 3.47Å; I183-A187 PolarHBondContact O-N 2.95Å |
| 184 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y174 G180 T181 T182 I186 A187 F188 F201 | Y174-A184 HydrophobicContact CD1-CB 4.15Å; Y174-A184 HydrophobicContact CE1-CB 3.57Å; G180-A184 PolarHBondContact O-N 2.85Å; G180-A184 VanDerWaalsContact O-N 3.15Å; T181-A184 WeakPolarHBondContact O-CB 3.43Å; T181-A184 PolarHBondContact O-N 3.29Å; T182-A184 VanDerWaalsContact C-N 3.29Å; T182-A184 PolarHBondContact O-N 2.94Å; A184-I186 VanDerWaalsContact C-N 3.31Å; A184-I186 PolarHBondContact O-N 2.67Å; A184-A187 PolarHBondContact O-N 2.71Å; A184-F188 HydrophobicContact CB-CD2 3.86Å; A184-F188 HydrophobicContact CB-CE2 3.52Å; A184-F188 HydrophobicContact CB-CZ 4.16Å; A184-F188 VanDerWaalsContact O-CB 3.24Å; A184-F188 WeakPolarHBondContact O-CB 3.5Å; A184-F188 VanDerWaalsContact O-CD2 3.31Å; A184-F188 WeakPolarHBondContact O-CD2 3.47Å; A184-F188 WeakPolarHBondContact O-CG 3.35Å; A184-F188 PolarHBondContact O-N 3.4Å; A184-F201 HydrophobicContact CB-CD1 4.35Å; A184-F201 HydrophobicContact CB-CD2 4.28Å; A184-F201 HydrophobicContact CB-CE1 3.81Å; A184-F201 HydrophobicContact CB-CE2 3.76Å; A184-F201 HydrophobicContact CB-CZ 3.5Å |
| 185 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.4 | -42.6 | 178 | -70.6 | -53 | 0 | 0 | 0 | 111.8 | T181 T182 S189 F201 P206 A208 L309 V333 M336 L342 L359 V363 | T181-F185 WeakPolarHBondContact O-CD2 3.37Å; T181-F185 WeakPolarHBondContact O-CG 3.34Å; T181-F185 PolarHBondContact O-N 2.66Å; T182-F185 PolarHBondContact O-N 3.15Å; F185-S189 WeakPolarHBondContact O-CB 3.33Å; F185-S189 PolarHBondContact O-N 2.85Å; F185-S189 PolarHBondContact O-OG 3.14Å; F185-F201 AromaticContact CD1-CE1 3.88Å; F185-F201 HydrophobicContact CD1-CE1 3.88Å; F185-F201 HydrophobicContact CE1-CD1 4.48Å; F185-F201 AromaticContact CE1-CE1 3.58Å; F185-F201 HydrophobicContact CE1-CE1 3.58Å; F185-F201 HydrophobicContact CE1-CZ 4.35Å; F185-F201 HydrophobicContact CG-CE1 4.48Å; F185-F201 AromaticContact CZ-CE1 3.92Å; F185-F201 HydrophobicContact CZ-CE1 3.92Å; F185-F201 HydrophobicContact CZ-CZ 4.26Å; F185-P206 HydrophobicContact CE2-CB 4.05Å; F185-P206 HydrophobicContact CZ-CB 4.13Å; F185-A208 HydrophobicContact CD2-CB 4.19Å; F185-A208 HydrophobicContact CE2-CB 4.44Å; F185-L309 HydrophobicContact CB-CD2 4.23Å; F185-V333 HydrophobicContact CB-CG2 4.3Å; F185-V333 HydrophobicContact CD1-CG1 3.88Å; F185-V333 HydrophobicContact CD1-CG2 4.41Å; F185-V333 HydrophobicContact CE1-CG1 4.16Å; F185-V333 HydrophobicContact CG-CG2 4.37Å; F185-M336 HydrophobicContact CD1-CE 3.78Å; F185-M336 HydrophobicContact CD1-SD 3.9Å; F185-M336 HydrophobicContact CE1-CE 3.8Å; F185-M336 HydrophobicContact CE1-SD 4.41Å; F185-L342 HydrophobicContact CZ-CD2 4.19Å; F185-L359 HydrophobicContact CE1-CD1 4.3Å; F185-L359 HydrophobicContact CE2-CD1 4.4Å; F185-L359 HydrophobicContact CE2-CD2 3.82Å; F185-L359 HydrophobicContact CZ-CD1 4.11Å; F185-L359 HydrophobicContact CZ-CD2 3.75Å; F185-L359 HydrophobicContact CZ-CG 4.37Å; F185-V363 HydrophobicContact CE1-CG2 4.23Å |
| 186 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.9 | -55 | 177 | -65.2 | 171.3 | 0 | 0 | 0 | 109.8 | Y148 A152 L153 T182 A184 F188 S189 T190 L309 F331 | Y148-I186 HydrophobicContact CD2-CD1 3.67Å; Y148-I186 HydrophobicContact CE2-CD1 4.06Å; A152-I186 HydrophobicContact CB-CB 3.59Å; A152-I186 HydrophobicContact CB-CD1 4.33Å; A152-I186 HydrophobicContact CB-CG2 3.45Å; A152-I186 VanDerWaalsContact CB-CG2 3.45Å; L153-I186 HydrophobicContact CD2-CG2 4.29Å; T182-I186 HydrophobicContact CG2-CD1 4.1Å; T182-I186 WeakPolarHBondContact O-CG1 3.34Å; T182-I186 PolarHBondContact O-N 3.37Å; A184-I186 VanDerWaalsContact C-N 3.31Å; A184-I186 PolarHBondContact O-N 2.67Å; I186-F188 PolarHBondContact O-N 3.06Å; I186-S189 PolarHBondContact O-N 3.24Å; I186-S189 PolarHBondContact O-OG 3.1Å; I186-S189 VanDerWaalsContact O-OG 3.08Å; I186-T190 WeakPolarHBondContact O-CB 3.35Å; I186-T190 WeakPolarHBondContact O-CG2 3.37Å; I186-T190 PolarHBondContact O-N 2.89Å; I186-T190 VanDerWaalsContact O-N 3.12Å; I186-T190 PolarHBondContact O-OG1 3.17Å; I186-L309 HydrophobicContact CD1-CD1 4.33Å; I186-L309 HydrophobicContact CG1-CD1 4.38Å; I186-L309 HydrophobicContact CG1-CD2 3.91Å; I186-L309 HydrophobicContact CG1-CG 4.3Å; I186-F331 HydrophobicContact CB-CD2 4.47Å; I186-F331 HydrophobicContact CB-CG 4.44Å; I186-F331 HydrophobicContact CD1-CD2 3.89Å; I186-F331 HydrophobicContact CD1-CE2 3.9Å; I186-F331 HydrophobicContact CG1-CB 4.27Å; I186-F331 HydrophobicContact CG1-CD2 3.67Å; I186-F331 HydrophobicContact CG1-CE2 4.08Å; I186-F331 HydrophobicContact CG1-CG 3.96Å; I186-F331 HydrophobicContact CG2-CD1 3.87Å; I186-F331 HydrophobicContact CG2-CD2 4.1Å; I186-F331 HydrophobicContact CG2-CE1 3.72Å; I186-F331 HydrophobicContact CG2-CE2 3.94Å; I186-F331 HydrophobicContact CG2-CG 4.05Å; I186-F331 HydrophobicContact CG2-CZ 3.74Å |
| 187 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A152 L156 I183 A184 S189 T190 L191 L194 | A152-A187 HydrophobicContact CB-CB 4.31Å; A152-A187 WeakPolarHBondContact O-CB 3.3Å; L156-A187 HydrophobicContact CD2-CB 3.66Å; L156-A187 HydrophobicContact CG-CB 4.49Å; I183-A187 VanDerWaalsContact O-CB 3.28Å; I183-A187 WeakPolarHBondContact O-CB 3.47Å; I183-A187 PolarHBondContact O-N 2.95Å; A184-A187 PolarHBondContact O-N 2.71Å; A187-S189 VanDerWaalsContact C-N 3.35Å; A187-S189 PolarHBondContact O-N 3.12Å; A187-T190 PolarHBondContact O-N 2.88Å; A187-L191 WeakPolarHBondContact O-CA 3.43Å; A187-L191 VanDerWaalsContact O-CB 3.25Å; A187-L191 WeakPolarHBondContact O-CB 3.33Å; A187-L191 PolarHBondContact O-N 3.09Å; A187-L194 HydrophobicContact CB-CD2 4.03Å |
| 188 | F | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 1% | 0.013 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -80.2 | -14.9 | -174.8 | -54.9 | -24.2 | 0 | 0 | 0 | 113.7 | L156 I160 Y174 A184 I186 L194 A195 I198 F201 M336 V338 | L156-F188 HydrophobicContact CD2-CE1 3.89Å; L156-F188 HydrophobicContact CD2-CZ 4.03Å; I160-F188 HydrophobicContact CD1-CE1 4.06Å; I160-F188 HydrophobicContact CD1-CZ 4.45Å; Y174-F188 HydrophobicContact CD1-CE2 4.35Å; Y174-F188 HydrophobicContact CD2-CE2 4.35Å; Y174-F188 AromaticContact CD2-CZ 3.81Å; Y174-F188 HydrophobicContact CD2-CZ 3.81Å; Y174-F188 HydrophobicContact CE2-CZ 4.26Å; Y174-F188 HydrophobicContact CG-CE2 4.1Å; Y174-F188 AromaticContact CG-CZ 3.99Å; Y174-F188 HydrophobicContact CG-CZ 3.99Å; A184-F188 HydrophobicContact CB-CD2 3.86Å; A184-F188 HydrophobicContact CB-CE2 3.52Å; A184-F188 HydrophobicContact CB-CZ 4.16Å; A184-F188 VanDerWaalsContact O-CB 3.24Å; A184-F188 WeakPolarHBondContact O-CB 3.5Å; A184-F188 VanDerWaalsContact O-CD2 3.31Å; A184-F188 WeakPolarHBondContact O-CD2 3.47Å; A184-F188 WeakPolarHBondContact O-CG 3.35Å; A184-F188 PolarHBondContact O-N 3.4Å; I186-F188 PolarHBondContact O-N 3.06Å; F188-L194 HydrophobicContact CD1-CD2 4.4Å; F188-L194 HydrophobicContact CE1-CD2 4.2Å; F188-L194 HydrophobicContact CE1-CG 4.43Å; F188-A195 HydrophobicContact CB-CB 4.17Å; F188-I198 HydrophobicContact CD1-CG1 4.11Å; F188-I198 HydrophobicContact CE1-CD1 4.08Å; F188-I198 HydrophobicContact CE1-CG1 3.53Å; F188-I198 HydrophobicContact CE2-CG1 4.04Å; F188-I198 HydrophobicContact CE2-CG2 4.35Å; F188-I198 HydrophobicContact CZ-CD1 3.88Å; F188-I198 HydrophobicContact CZ-CG1 3.5Å; F188-F201 HydrophobicContact CD2-CD1 4.33Å; F188-F201 HydrophobicContact CD2-CG 4.48Å; F188-F201 HydrophobicContact CE2-CB 4.41Å; F188-F201 HydrophobicContact CE2-CG 4.28Å; F188-M336 HydrophobicContact CB-CG 3.68Å; F188-M336 HydrophobicContact CB-SD 3.9Å; F188-M336 HydrophobicContact CD2-SD 4.25Å; F188-V338 HydrophobicContact CB-CG2 3.87Å; F188-V338 HydrophobicContact CD2-CG2 4.21Å; F188-V338 HydrophobicContact CG-CG2 4.08Å |
| 189 | S | 98.4 | Very high | 98.6 | Very high | 17 Ų | 17 | 26.7 Ų | 26.7 | 12% | 0.119 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -86.9 | -27.2 | 169.3 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | F185 I186 A187 R332 | F185-S189 WeakPolarHBondContact O-CB 3.33Å; F185-S189 PolarHBondContact O-N 2.85Å; F185-S189 PolarHBondContact O-OG 3.14Å; I186-S189 PolarHBondContact O-N 3.24Å; I186-S189 PolarHBondContact O-OG 3.1Å; I186-S189 VanDerWaalsContact O-OG 3.08Å; A187-S189 VanDerWaalsContact C-N 3.35Å; A187-S189 PolarHBondContact O-N 3.12Å; S189-R332 WeakPolarHBondContact CB-O 3.39Å |
| 190 | T | 98.3 | Very high | 98.6 | Very high | 53 Ų | 53 | 26.6 Ų | 26.6 | 33% | 0.325 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -104.7 | -25.5 | -173.8 | 58.8 | 0 | 0 | 0 | 0 | 114.4 | I186 A187 P192 F331 | I186-T190 WeakPolarHBondContact O-CB 3.35Å; I186-T190 WeakPolarHBondContact O-CG2 3.37Å; I186-T190 PolarHBondContact O-N 2.89Å; I186-T190 VanDerWaalsContact O-N 3.12Å; I186-T190 PolarHBondContact O-OG1 3.17Å; A187-T190 PolarHBondContact O-N 2.88Å; T190-P192 VanDerWaalsContact O-CD 3.25Å; T190-P192 WeakPolarHBondContact O-CD 3.27Å; T190-F331 HydrophobicContact CG2-CD1 3.55Å; T190-F331 HydrophobicContact CG2-CE1 3.93Å |
| 191 | L | 98.3 | Very high | 98.6 | Very high | 54 Ų | 54 | 26.6 Ų | 26.6 | 28% | 0.283 | 15% | 0.147 | S | C | . | . | trans | -115.4 | 81.9 | -176.6 | -56.1 | 175.4 | 0 | 0 | 0 | 110.2 | L153 P157 A187 E193 L194 A195 | L153-L191 HydrophobicContact CD2-CD1 4.38Å; L153-L191 HydrophobicContact CD2-CG 4.48Å; P157-L191 HydrophobicContact CG-CD1 3.67Å; A187-L191 WeakPolarHBondContact O-CA 3.43Å; A187-L191 VanDerWaalsContact O-CB 3.25Å; A187-L191 WeakPolarHBondContact O-CB 3.33Å; A187-L191 PolarHBondContact O-N 3.09Å; L191-E193 VanDerWaalsContact C-N 3.26Å; L191-E193 PolarHBondContact O-N 3.1Å; L191-L194 HydrophobicContact CB-CB 3.79Å; L191-L194 HydrophobicContact CD1-CD2 4.15Å; L191-L194 WeakPolarHBondContact O-CA 3.4Å; L191-L194 WeakPolarHBondContact O-CB 3.48Å; L191-L194 PolarHBondContact O-N 2.93Å; L191-A195 PolarHBondContact O-N 3.16Å | ||
| 192 | P | 97.5 | Very high | 98.6 | Very high | 103 Ų | 103 | 26.6 Ų | 26.6 | 67% | 0.669 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -62 | -30.6 | -174.1 | 23.3 | -34 | 0 | 0 | 0 | 113.7 | T190 L194 A195 S196 | T190-P192 VanDerWaalsContact O-CD 3.25Å; T190-P192 WeakPolarHBondContact O-CD 3.27Å; P192-L194 VanDerWaalsContact C-N 3.32Å; P192-A195 PolarHBondContact O-N 3.34Å; P192-S196 PolarHBondContact O-N 3.37Å |
| 193 | E | 98.1 | Very high | 98.6 | Very high | 135 Ų | 135 | 26.6 Ų | 26.6 | 63% | 0.631 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -69.6 | -30.1 | 174.1 | -162.9 | -150.3 | 128.2 | 0 | 0 | 112.4 | L191 S196 K197 | L191-E193 VanDerWaalsContact C-N 3.26Å; L191-E193 PolarHBondContact O-N 3.1Å; E193-S196 PolarHBondContact O-OG 2.99Å; E193-K197 WeakPolarHBondContact O-CD 3.37Å; E193-K197 WeakPolarHBondContact O-CE 3.24Å; E193-K197 IonicContact OE1-NZ 3.32Å; E193-K197 PolarHBondContact OE1-NZ 2.82Å |
| 194 | L | 98.5 | Very high | 98.6 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -76.2 | -44 | 172.9 | -168.8 | 71.2 | 0 | 0 | 0 | 110.6 | L156 P157 I160 A187 F188 L191 P192 S196 K197 | L156-L194 HydrophobicContact CG-CD2 4.29Å; P157-L194 HydrophobicContact CB-CD1 4.22Å; P157-L194 HydrophobicContact CB-CD2 4.31Å; P157-L194 HydrophobicContact CG-CD2 3.91Å; I160-L194 HydrophobicContact CB-CD1 3.91Å; I160-L194 HydrophobicContact CD1-CD1 3.76Å; I160-L194 HydrophobicContact CD1-CD2 4.02Å; I160-L194 HydrophobicContact CD1-CG 3.89Å; I160-L194 HydrophobicContact CG1-CD1 4.43Å; I160-L194 HydrophobicContact CG2-CD1 3.89Å; A187-L194 HydrophobicContact CB-CD2 4.03Å; F188-L194 HydrophobicContact CD1-CD2 4.4Å; F188-L194 HydrophobicContact CE1-CD2 4.2Å; F188-L194 HydrophobicContact CE1-CG 4.43Å; L191-L194 HydrophobicContact CB-CB 3.79Å; L191-L194 HydrophobicContact CD1-CD2 4.15Å; L191-L194 WeakPolarHBondContact O-CA 3.4Å; L191-L194 WeakPolarHBondContact O-CB 3.48Å; L191-L194 PolarHBondContact O-N 2.93Å; P192-L194 VanDerWaalsContact C-N 3.32Å; L194-S196 PolarHBondContact O-N 2.85Å; L194-K197 HydrophobicContact CD1-CD 4.42Å; L194-K197 WeakPolarHBondContact O-CB 3.29Å; L194-K197 PolarHBondContact O-N 3.49Å |
| 195 | A | 98.6 | Very high | 98.5 | Very high | 12 Ų | 12 | 26.5 Ų | 26.5 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57 | -37.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F188 L191 P192 K197 I198 V338 | F188-A195 HydrophobicContact CB-CB 4.17Å; L191-A195 PolarHBondContact O-N 3.16Å; P192-A195 PolarHBondContact O-N 3.34Å; A195-K197 PolarHBondContact O-N 3.47Å; A195-I198 PolarHBondContact O-N 2.99Å; A195-V338 HydrophobicContact CB-CG2 3.77Å |
| 196 | S | 98.4 | Very high | 98.5 | Very high | 71 Ų | 71 | 26.6 Ų | 26.6 | 50% | 0.497 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.5 | 177.6 | 68 | 0 | 0 | 0 | 0 | 113.8 | Q171 P192 E193 L194 I198 | Q171-S196 PolarHBondContact NE2-O 2.65Å; P192-S196 PolarHBondContact O-N 3.37Å; E193-S196 PolarHBondContact O-OG 2.99Å; L194-S196 PolarHBondContact O-N 2.85Å; S196-I198 VanDerWaalsContact C-N 3.28Å |
| 197 | K | 98.7 | Very high | 98.3 | Very high | 33 Ų | 33 | 26.7 Ų | 26.7 | 14% | 0.143 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2 | 175.4 | -61 | 161.8 | -175.4 | 170.1 | 0 | 112.6 | I160 N161 L164 Q171 I172 E193 L194 A195 | I160-K197 HydrophobicContact CG2-CB 4.24Å; I160-K197 HydrophobicContact CG2-CD 4.42Å; N161-K197 PolarHBondContact OD1-NZ 2.99Å; L164-K197 HydrophobicContact CD1-CB 3.87Å; L164-K197 HydrophobicContact CD1-CD 3.57Å; L164-K197 HydrophobicContact CD1-CG 3.8Å; Q171-K197 CarbonylContact C-O 3.58Å; Q171-K197 WeakPolarHBondContact CA-O 3.44Å; I172-K197 PolarHBondContact N-O 3.32Å; E193-K197 WeakPolarHBondContact O-CD 3.37Å; E193-K197 WeakPolarHBondContact O-CE 3.24Å; E193-K197 IonicContact OE1-NZ 3.32Å; E193-K197 PolarHBondContact OE1-NZ 2.82Å; L194-K197 HydrophobicContact CD1-CD 4.42Å; L194-K197 WeakPolarHBondContact O-CB 3.29Å; L194-K197 PolarHBondContact O-N 3.49Å; A195-K197 PolarHBondContact O-N 3.47Å |
| 198 | I | 98.8 | Very high | 98 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.4 | 177 | -53.4 | -57.1 | 0 | 0 | 0 | 109.9 | I160 I172 F188 A195 S196 F201 V338 | I160-I198 HydrophobicContact CD1-CD1 3.76Å; I160-I198 HydrophobicContact CG1-CD1 4.48Å; I172-I198 HydrophobicContact CD1-CD1 4.39Å; I172-I198 HydrophobicContact CG1-CD1 3.83Å; F188-I198 HydrophobicContact CD1-CG1 4.11Å; F188-I198 HydrophobicContact CE1-CD1 4.08Å; F188-I198 HydrophobicContact CE1-CG1 3.53Å; F188-I198 HydrophobicContact CE2-CG1 4.04Å; F188-I198 HydrophobicContact CE2-CG2 4.35Å; F188-I198 HydrophobicContact CZ-CD1 3.88Å; F188-I198 HydrophobicContact CZ-CG1 3.5Å; A195-I198 PolarHBondContact O-N 2.99Å; S196-I198 VanDerWaalsContact C-N 3.28Å; I198-F201 HydrophobicContact CG2-CB 4.5Å; I198-V338 HydrophobicContact CB-CG1 3.88Å; I198-V338 HydrophobicContact CB-CG2 4.33Å; I198-V338 HydrophobicContact CG2-CG1 3.51Å |
| 199 | R | 98.4 | Very high | 97.5 | Very high | 63 Ų | 63 | 27.6 Ų | 27.6 | 24% | 0.238 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -44.8 | -179.1 | -179.1 | 171.3 | -89.6 | -147.8 | 10.6 | 112.5 | Q171 I172 F173 H401 H402 | Q171-R199 HydrophobicContact CB-CB 4.15Å; I172-R199 WeakPolarHBondContact O-CB 3.4Å; I172-R199 PolarHBondContact O-N 2.93Å; F173-R199 HydrophobicContact CD1-CB 4.23Å; F173-R199 HydrophobicContact CD1-CG 4.26Å; F173-R199 HydrophobicContact CE1-CB 4.16Å; F173-R199 HydrophobicContact CE1-CG 3.7Å; F173-R199 HydrophobicContact CZ-CG 4Å; R199-H401 WeakPolarHBondContact CD-O 3.5Å; R199-H401 HydrophobicContact CG-CB 4.46Å; R199-H401 PolarHBondContact NH1-O 2.83Å; R199-H402 PolarHBondContact NH1-OXT 3.06Å |
| 200 | L | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 136 | 175.2 | 169.6 | 62.4 | 0 | 0 | 0 | 108.6 | F173 Y174 F202 P339 A341 V367 L397 H401 | F173-L200 HydrophobicContact CD1-CB 3.9Å; F173-L200 HydrophobicContact CE1-CB 4.06Å; Y174-L200 PolarHBondContact N-O 3.17Å; Y174-L200 VanDerWaalsContact N-O 3.09Å; L200-F202 HydrophobicContact CB-CE2 4.25Å; L200-F202 HydrophobicContact CD2-CD2 4.48Å; L200-F202 HydrophobicContact CD2-CE1 3.99Å; L200-F202 HydrophobicContact CD2-CE2 3.56Å; L200-F202 HydrophobicContact CD2-CZ 3.26Å; L200-F202 HydrophobicContact CG-CD2 4.13Å; L200-F202 HydrophobicContact CG-CE1 4.49Å; L200-F202 HydrophobicContact CG-CE2 3.59Å; L200-F202 HydrophobicContact CG-CZ 3.8Å; L200-P339 WeakPolarHBondContact CA-O 3.37Å; L200-P339 HydrophobicContact CD1-CB 4.02Å; L200-P339 WeakPolarHBondContact CD1-O 3.4Å; L200-A341 HydrophobicContact CD1-CB 4.27Å; L200-V367 HydrophobicContact CD1-CG2 3.7Å; L200-L397 HydrophobicContact CD2-CB 4.11Å; L200-H401 HydrophobicContact CD2-CB 4.4Å |
| 201 | F | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.1 | 175.1 | 169.4 | -151 | 0 | 0 | 0 | 110.2 | Y174 T181 A184 F185 F188 I198 M336 V338 P339 T340 A341 | Y174-F201 AromaticContact CD1-CD2 3.46Å; Y174-F201 HydrophobicContact CD1-CD2 3.46Å; Y174-F201 VanDerWaalsContact CD1-CD2 3.46Å; Y174-F201 AromaticContact CD1-CE2 3.67Å; Y174-F201 HydrophobicContact CD1-CE2 3.67Å; Y174-F201 HydrophobicContact CD1-CG 4.47Å; Y174-F201 HydrophobicContact CE1-CD2 4.07Å; Y174-F201 AromaticContact CE1-CE2 3.79Å; Y174-F201 HydrophobicContact CE1-CE2 3.79Å; Y174-F201 HydrophobicContact CG-CD2 4.38Å; Y174-F201 CarbonylContact O-C 3.57Å; Y174-F201 WeakPolarHBondContact O-CA 3.46Å; T181-F201 HydrophobicContact CG2-CZ 4.34Å; A184-F201 HydrophobicContact CB-CD1 4.35Å; A184-F201 HydrophobicContact CB-CD2 4.28Å; A184-F201 HydrophobicContact CB-CE1 3.81Å; A184-F201 HydrophobicContact CB-CE2 3.76Å; A184-F201 HydrophobicContact CB-CZ 3.5Å; F185-F201 AromaticContact CD1-CE1 3.88Å; F185-F201 HydrophobicContact CD1-CE1 3.88Å; F185-F201 HydrophobicContact CE1-CD1 4.48Å; F185-F201 AromaticContact CE1-CE1 3.58Å; F185-F201 HydrophobicContact CE1-CE1 3.58Å; F185-F201 HydrophobicContact CE1-CZ 4.35Å; F185-F201 HydrophobicContact CG-CE1 4.48Å; F185-F201 AromaticContact CZ-CE1 3.92Å; F185-F201 HydrophobicContact CZ-CE1 3.92Å; F185-F201 HydrophobicContact CZ-CZ 4.26Å; F188-F201 HydrophobicContact CD2-CD1 4.33Å; F188-F201 HydrophobicContact CD2-CG 4.48Å; F188-F201 HydrophobicContact CE2-CB 4.41Å; F188-F201 HydrophobicContact CE2-CG 4.28Å; I198-F201 HydrophobicContact CG2-CB 4.5Å; F201-M336 HydrophobicContact CD1-CE 4.15Å; F201-M336 HydrophobicContact CD1-SD 3.92Å; F201-M336 HydrophobicContact CE1-CE 4.44Å; F201-M336 HydrophobicContact CE1-SD 4.24Å; F201-V338 HydrophobicContact CB-CG1 3.87Å; F201-P339 PolarHBondContact N-O 2.88Å; F201-T340 HydrophobicContact CD1-CG2 3.73Å; F201-T340 HydrophobicContact CE1-CG2 4.21Å; F201-T340 HydrophobicContact CG-CG2 4.29Å; F201-T340 CarbonylContact O-C 3.59Å; F201-T340 VanDerWaalsContact O-CA 3.32Å; F201-T340 WeakPolarHBondContact O-CA 3.42Å; F201-A341 PolarHBondContact O-N 3.26Å |
| 202 | F | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.1 | 169.3 | -59 | -99.8 | 0 | 0 | 0 | 110.2 | F173 Y174 I175 G176 L200 A341 F343 I394 L397 L398 | F173-F202 HydrophobicContact CD1-CE2 4.19Å; Y174-F202 PolarHBondContact O-N 2.94Å; I175-F202 WeakPolarHBondContact CA-O 3.48Å; I175-F202 HydrophobicContact CB-CB 4.18Å; I175-F202 HydrophobicContact CD1-CD2 4.3Å; I175-F202 HydrophobicContact CD1-CG 4.45Å; I175-F202 HydrophobicContact CG1-CB 3.94Å; I175-F202 HydrophobicContact CG1-CD2 3.8Å; I175-F202 HydrophobicContact CG1-CG 4.08Å; I175-F202 HydrophobicContact CG2-CB 3.97Å; G176-F202 PolarHBondContact N-O 2.8Å; L200-F202 HydrophobicContact CB-CE2 4.25Å; L200-F202 HydrophobicContact CD2-CD2 4.48Å; L200-F202 HydrophobicContact CD2-CE1 3.99Å; L200-F202 HydrophobicContact CD2-CE2 3.56Å; L200-F202 HydrophobicContact CD2-CZ 3.26Å; L200-F202 HydrophobicContact CG-CD2 4.13Å; L200-F202 HydrophobicContact CG-CE1 4.49Å; L200-F202 HydrophobicContact CG-CE2 3.59Å; L200-F202 HydrophobicContact CG-CZ 3.8Å; F202-A341 CarbonylContact C-O 3.54Å; F202-A341 VanDerWaalsContact CA-O 3.3Å; F202-A341 WeakPolarHBondContact CA-O 3.46Å; F202-A341 HydrophobicContact CD1-CB 3.96Å; F202-A341 HydrophobicContact CE1-CB 4.28Å; F202-F343 HydrophobicContact CD1-CE2 4.04Å; F202-I394 HydrophobicContact CD1-CG1 4.16Å; F202-I394 HydrophobicContact CD1-CG2 4.29Å; F202-I394 HydrophobicContact CE1-CB 4.39Å; F202-I394 HydrophobicContact CE1-CG1 4.43Å; F202-I394 HydrophobicContact CE1-CG2 4.11Å; F202-I394 HydrophobicContact CZ-CG2 4.48Å; F202-L397 HydrophobicContact CE1-CB 3.67Å; F202-L397 HydrophobicContact CE1-CD1 3.83Å; F202-L397 HydrophobicContact CE1-CG 4.43Å; F202-L397 HydrophobicContact CZ-CB 3.85Å; F202-L398 HydrophobicContact CE2-CD2 3.48Å; F202-L398 VanDerWaalsContact CE2-CD2 3.48Å; F202-L398 HydrophobicContact CE2-CG 4.03Å; F202-L398 HydrophobicContact CZ-CD2 3.71Å; F202-L398 HydrophobicContact CZ-CG 3.74Å |
| 203 | G | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 112.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A341 L342 F343 | G203-A341 PolarHBondContact N-O 2.89Å; G203-L342 WeakPolarHBondContact O-CA 3.16Å; G203-F343 PolarHBondContact O-N 3.28Å |
| 204 | L | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.9 | 178.1 | -46.8 | -174.3 | 0 | 0 | 0 | 109.5 | W99 L108 I175 G176 H177 S178 F343 F380 M390 I394 | W99-L204 HydrophobicContact CH2-CD1 4.02Å; W99-L204 HydrophobicContact CZ3-CD1 3.99Å; L108-L204 HydrophobicContact CD2-CD1 4.46Å; I175-L204 HydrophobicContact CG2-CD1 3.81Å; I175-L204 HydrophobicContact CG2-CG 4.03Å; G176-L204 PolarHBondContact O-N 3.11Å; H177-L204 VanDerWaalsContact CA-O 3.31Å; H177-L204 WeakPolarHBondContact CA-O 3.37Å; H177-L204 HydrophobicContact CB-CB 4.46Å; S178-L204 PolarHBondContact N-O 2.89Å; L204-F343 HydrophobicContact CD2-CB 3.94Å; L204-F343 HydrophobicContact CD2-CD2 3.5Å; L204-F343 HydrophobicContact CD2-CE2 4.23Å; L204-F343 HydrophobicContact CD2-CG 3.85Å; L204-F380 HydrophobicContact CB-CB 4.08Å; L204-F380 HydrophobicContact CB-CD1 3.84Å; L204-F380 HydrophobicContact CB-CG 4.17Å; L204-M390 HydrophobicContact CD1-CE 4.01Å; L204-M390 HydrophobicContact CD1-SD 4.08Å; L204-M390 HydrophobicContact CD2-SD 3.74Å; L204-M390 HydrophobicContact CG-SD 4.44Å; L204-I394 HydrophobicContact CD2-CD1 4.21Å |
| 205 | A | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 47.6 | 62.7 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S178 V207 F343 D348 A351 F380 | S178-A205 WeakPolarHBondContact CA-O 3.39Å; A205-V207 PolarHBondContact O-N 2.98Å; A205-F343 PolarHBondContact N-O 2.96Å; A205-D348 VanDerWaalsContact CB-OD2 3.31Å; A205-D348 WeakPolarHBondContact CB-OD2 3.11Å; A205-A351 HydrophobicContact CB-CB 4.1Å; A205-F380 HydrophobicContact CB-CD2 3.66Å; A205-F380 HydrophobicContact CB-CE2 3.72Å; A205-F380 HydrophobicContact CB-CG 4.23Å; A205-F380 HydrophobicContact CB-CZ 4.33Å |
| 206 | P | 98 | Very high | 91.7 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | trans | -71 | 131 | -167.7 | 30.3 | -36.7 | 0 | 0 | 0 | 112.2 | T181 F185 L342 F343 V356 L359 | T181-P206 HydrophobicContact CG2-CB 4.38Å; T181-P206 WeakPolarHBondContact OG1-CA 3.38Å; F185-P206 HydrophobicContact CE2-CB 4.05Å; F185-P206 HydrophobicContact CZ-CB 4.13Å; P206-L342 HydrophobicContact CB-CD2 3.99Å; P206-L342 HydrophobicContact CG-CB 4.42Å; P206-L342 HydrophobicContact CG-CD1 4.32Å; P206-L342 HydrophobicContact CG-CD2 4.17Å; P206-F343 WeakPolarHBondContact CD-O 3.4Å; P206-V356 HydrophobicContact CG-CG2 4.34Å; P206-L359 HydrophobicContact CB-CD2 3.77Å; P206-L359 HydrophobicContact CG-CD2 4.11Å | ||
| 207 | V | 95.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | trans | -119.2 | 116.8 | -179.3 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | T181 T182 A205 V210 W300 L350 A351 | T181-V207 PolarHBondContact OG1-N 3.16Å; T182-V207 WeakPolarHBondContact CA-O 3.47Å; T182-V207 WeakPolarHBondContact CB-O 3.37Å; T182-V207 PolarHBondContact OG1-O 3.3Å; A205-V207 PolarHBondContact O-N 2.98Å; V207-V210 HydrophobicContact CG1-CG1 3.52Å; V207-W300 HydrophobicContact CB-CH2 4.28Å; V207-W300 HydrophobicContact CG1-CH2 3.52Å; V207-W300 HydrophobicContact CG1-CZ3 3.63Å; V207-L350 HydrophobicContact CG2-CD2 3.67Å; V207-A351 HydrophobicContact CG2-CB 3.89Å | ||
| 208 | A | 91 | Very high | 89.1 | Confident | 7 Ų | 7 | 23.2 Ų | 23.2 | 6% | 0.058 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -123.7 | -38.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | F185 L309 V333 L359 | F185-A208 HydrophobicContact CD2-CB 4.19Å; F185-A208 HydrophobicContact CE2-CB 4.44Å; A208-L309 WeakPolarHBondContact O-CB 3.3Å; A208-L309 WeakPolarHBondContact O-CD1 3.36Å; A208-V333 HydrophobicContact CB-CG2 4.14Å; A208-L359 HydrophobicContact CB-CD1 3.61Å; A208-L359 HydrophobicContact CB-CD2 4.06Å; A208-L359 HydrophobicContact CB-CG 4.33Å |
| 209 | T | 87.9 | Confident | 88.1 | Confident | 15 Ų | 15 | 29.9 Ų | 29.9 | 9% | 0.092 | 15% | 0.154 | C | C | . | . | trans | -125.5 | 157.2 | 168.5 | 56.1 | 0 | 0 | 0 | 0 | 109.1 | D355 | T209-D355 WeakPolarHBondContact CB-OD1 3.11Å; T209-D355 PolarHBondContact OG1-OD1 3.22Å | ||
| 210 | V | 86.1 | Confident | 87 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | trans | -132.6 | 45.1 | 178.2 | -74 | 0 | 0 | 0 | 0 | 109.1 | V207 T213 W300 A303 V304 | V207-V210 HydrophobicContact CG1-CG1 3.52Å; V210-T213 HydrophobicContact CB-CG2 3.66Å; V210-T213 HydrophobicContact CG1-CG2 4.3Å; V210-T213 VanDerWaalsContact O-CG2 3.28Å; V210-T213 WeakPolarHBondContact O-CG2 2.96Å; V210-W300 HydrophobicContact CG1-CE3 4.24Å; V210-W300 HydrophobicContact CG1-CZ3 3.83Å; V210-W300 HydrophobicContact CG2-CE3 4.13Å; V210-W300 HydrophobicContact CG2-CZ3 4.24Å; V210-A303 HydrophobicContact CG2-CB 3.74Å; V210-V304 HydrophobicContact CB-CG2 4.43Å; V210-V304 HydrophobicContact CG2-CG2 3.83Å | ||
| 211 | A | 84.9 | Confident | 86.2 | Confident | 43 Ų | 43 | 28.7 Ų | 28.7 | 36% | 0.355 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -82 | -25.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113 | D355 | A211-D355 PolarHBondContact N-OD1 2.95Å; A211-D355 PolarHBondContact N-OD2 3.39Å |
| 212 | F | 85.6 | Confident | 85.6 | Confident | 108 Ų | 108 | 32.7 Ų | 32.7 | 47% | 0.474 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -120.3 | 2.2 | -172.5 | -60.3 | -75.6 | 0 | 0 | 0 | 114 | K354 D355 | F212-K354 HydrophobicContact CB-CB 4.04Å; F212-K354 HydrophobicContact CB-CD 3.97Å; F212-K354 HydrophobicContact CD1-CD 4.09Å; F212-K354 HydrophobicContact CD2-CB 3.89Å; F212-K354 HydrophobicContact CG-CB 3.96Å; F212-K354 HydrophobicContact CG-CD 4.01Å; F212-D355 PolarHBondContact N-OD2 2.97Å |
| 213 | T | 80.7 | Confident | 84.9 | Confident | 12 Ų | 12 | 35.3 Ų | 35.3 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | trans | -64.6 | 132.3 | -178.4 | 165.1 | 0 | 0 | 0 | 0 | 113.2 | V210 S215 T218 T349 | V210-T213 HydrophobicContact CB-CG2 3.66Å; V210-T213 HydrophobicContact CG1-CG2 4.3Å; V210-T213 VanDerWaalsContact O-CG2 3.28Å; V210-T213 WeakPolarHBondContact O-CG2 2.96Å; T213-S215 VanDerWaalsContact C-N 3.34Å; T213-S215 VanDerWaalsContact OG1-CB 3.24Å; T213-S215 WeakPolarHBondContact OG1-CB 3.41Å; T213-S215 PolarHBondContact OG1-N 3.34Å; T213-S215 VanDerWaalsContact OG1-N 3.08Å; T213-T218 HydrophobicContact CG2-CG2 3.23Å; T213-T349 WeakPolarHBondContact CB-O 3.42Å; T213-T349 PolarHBondContact OG1-O 2.88Å | ||
| 214 | D | 78.4 | Confident | 84.4 | Confident | 132 Ų | 132 | 38.2 Ų | 38.2 | 71% | 0.706 | 22% | 0.218 | S | C | * | . | trans | -92.5 | 6 | 173.2 | -73.9 | -36.5 | 0 | 0 | 0 | 112.6 | T349 | D214-T349 PolarHBondContact N-O 3.43Š| ||
| 215 | S | 78.9 | Confident | 84 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | trans | -59.4 | 136.2 | -177.9 | 176 | 0 | 0 | 0 | 0 | 111.3 | T213 M217 T218 T349 | T213-S215 VanDerWaalsContact C-N 3.34Å; T213-S215 VanDerWaalsContact OG1-CB 3.24Å; T213-S215 WeakPolarHBondContact OG1-CB 3.41Å; T213-S215 PolarHBondContact OG1-N 3.34Å; T213-S215 VanDerWaalsContact OG1-N 3.08Å; S215-M217 PolarHBondContact O-N 3.17Å; S215-M217 PolarHBondContact OG-N 2.82Å; S215-T218 PolarHBondContact O-N 3.2Å; S215-T218 PolarHBondContact O-OG1 2.81Å; S215-T349 WeakPolarHBondContact CB-O 3.45Å; S215-T349 PolarHBondContact N-O 3.32Å; S215-T349 VanDerWaalsContact N-O 3.14Å | ||
| 216 | P | 71.6 | Confident | 83.7 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -55.8 | -20.2 | 173.7 | -25 | 34.7 | 0 | 0 | 0 | 114 | T218 K219 I267 | P216-T218 VanDerWaalsContact C-N 3.27Å; P216-T218 PolarHBondContact O-N 2.89Å; P216-K219 VanDerWaalsContact O-CB 3.3Å; P216-K219 WeakPolarHBondContact O-CB 3.38Å; P216-K219 WeakPolarHBondContact O-CG 3.36Å; P216-K219 PolarHBondContact O-N 3.03Å; P216-I267 HydrophobicContact CB-CG2 4.48Å |
| 217 | M | 68.8 | Low | 83.2 | Confident | 34 Ų | 34 | 50 Ų | 50 | 17% | 0.167 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -62.1 | -30.9 | 174.1 | -81.9 | -158.1 | 55.5 | 0 | 0 | 113.8 | L92 S215 K219 L220 L268 M297 L350 | L92-M217 HydrophobicContact CD2-CE 3.18Å; L92-M217 HydrophobicContact CD2-SD 3.91Å; L92-M217 HydrophobicContact CG-CE 4.2Å; S215-M217 PolarHBondContact O-N 3.17Å; S215-M217 PolarHBondContact OG-N 2.82Å; M217-K219 PolarHBondContact O-N 3.35Å; M217-L220 PolarHBondContact O-N 2.68Å; M217-L268 WeakPolarHBondContact CG-O 3.07Å; M217-M297 HydrophobicContact CE-CE 3.46Å; M217-M297 VanDerWaalsContact CE-CE 3.46Å; M217-M297 HydrophobicContact CE-SD 4.48Å; M217-L350 HydrophobicContact SD-CD1 4.38Å |
| 218 | T | 74.5 | Confident | 82.8 | Confident | 31 Ų | 31 | 50 Ų | 50 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -69.7 | -15.6 | 177.8 | 64 | 0 | 0 | 0 | 0 | 112.6 | T213 S215 P216 L220 S221 V304 | T213-T218 HydrophobicContact CG2-CG2 3.23Å; S215-T218 PolarHBondContact O-N 3.2Å; S215-T218 PolarHBondContact O-OG1 2.81Å; P216-T218 VanDerWaalsContact C-N 3.27Å; P216-T218 PolarHBondContact O-N 2.89Å; T218-L220 PolarHBondContact O-N 3.28Å; T218-S221 VanDerWaalsContact O-CB 3.31Å; T218-S221 WeakPolarHBondContact O-CB 3.31Å; T218-S221 PolarHBondContact O-N 2.76Å; T218-S221 PolarHBondContact O-OG 3.03Å; T218-V304 HydrophobicContact CG2-CG2 3.74Å |
| 219 | K | 76.9 | Confident | 82.7 | Confident | 145 Ų | 145 | 52.2 Ų | 52.2 | 63% | 0.63 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -60.2 | -22.2 | 175.2 | -65.4 | 179.2 | 178.8 | 172.3 | 0 | 113 | P216 M217 S221 A222 | P216-K219 VanDerWaalsContact O-CB 3.3Å; P216-K219 WeakPolarHBondContact O-CB 3.38Å; P216-K219 WeakPolarHBondContact O-CG 3.36Å; P216-K219 PolarHBondContact O-N 3.03Å; M217-K219 PolarHBondContact O-N 3.35Å; K219-S221 VanDerWaalsContact C-N 3.25Å; K219-S221 PolarHBondContact O-N 2.91Å; K219-A222 WeakPolarHBondContact O-CB 3.36Å; K219-A222 PolarHBondContact O-N 2.78Å |
| 220 | L | 76.1 | Confident | 82.7 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -64.3 | -33.1 | 172.4 | -170.7 | 65.6 | 0 | 0 | 0 | 111.6 | M217 T218 A222 L223 I228 F232 M297 | M217-L220 PolarHBondContact O-N 2.68Å; T218-L220 PolarHBondContact O-N 3.28Å; L220-A222 PolarHBondContact O-N 3.01Å; L220-L223 HydrophobicContact CD1-CD1 4.24Å; L220-L223 WeakPolarHBondContact O-CB 3.38Å; L220-L223 PolarHBondContact O-N 2.84Å; L220-L223 VanDerWaalsContact O-N 3.1Å; L220-I228 HydrophobicContact CD1-CD1 4.22Å; L220-I228 HydrophobicContact CD1-CG1 4.01Å; L220-I228 HydrophobicContact CD1-CG2 4.17Å; L220-I228 HydrophobicContact CD2-CD1 4.45Å; L220-I228 HydrophobicContact CD2-CG2 4.33Å; L220-I228 HydrophobicContact CG-CD1 3.89Å; L220-I228 HydrophobicContact CG-CG1 4.25Å; L220-I228 HydrophobicContact CG-CG2 4.48Å; L220-F232 HydrophobicContact CD1-CD2 4.41Å; L220-F232 HydrophobicContact CD1-CE2 3.61Å; L220-F232 HydrophobicContact CD1-CZ 4.25Å; L220-M297 HydrophobicContact CD2-CB 3.83Å; L220-M297 HydrophobicContact CD2-CE 4.12Å |
| 221 | S | 82.3 | Confident | 82.6 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -67.9 | -17.5 | 178.5 | 82 | 0 | 0 | 0 | 0 | 113.6 | T218 K219 L223 A301 V304 H305 | T218-S221 VanDerWaalsContact O-CB 3.31Å; T218-S221 WeakPolarHBondContact O-CB 3.31Å; T218-S221 PolarHBondContact O-N 2.76Å; T218-S221 PolarHBondContact O-OG 3.03Å; K219-S221 VanDerWaalsContact C-N 3.25Å; K219-S221 PolarHBondContact O-N 2.91Å; S221-L223 PolarHBondContact O-N 3.05Å; S221-A301 WeakPolarHBondContact CB-O 3.49Å; S221-V304 VanDerWaalsContact OG-CG1 3.32Å; S221-V304 WeakPolarHBondContact OG-CG1 3.38Å; S221-H305 PolarHBondContact O-CE1 2.6Å; S221-H305 PolarHBondContact O-NE2 2.69Å |
| 222 | A | 85.6 | Confident | 82.7 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 69% | 0.686 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -67.3 | -15.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K219 L220 | K219-A222 WeakPolarHBondContact O-CB 3.36Å; K219-A222 PolarHBondContact O-N 2.78Å; L220-A222 PolarHBondContact O-N 3.01Å |
| 223 | L | 83.6 | Confident | 83 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 29% | 0.293 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -95.1 | 140.9 | 176.5 | -53.1 | -179.2 | 0 | 0 | 0 | 110 | L220 S221 L227 I228 L231 | L220-L223 HydrophobicContact CD1-CD1 4.24Å; L220-L223 WeakPolarHBondContact O-CB 3.38Å; L220-L223 PolarHBondContact O-N 2.84Å; L220-L223 VanDerWaalsContact O-N 3.1Å; S221-L223 PolarHBondContact O-N 3.05Å; L223-L227 HydrophobicContact CB-CD2 4.33Å; L223-L227 HydrophobicContact CD2-CD2 3.9Å; L223-L227 HydrophobicContact CG-CD2 4.5Å; L223-I228 HydrophobicContact CB-CD1 4.45Å; L223-I228 HydrophobicContact CB-CG1 3.9Å; L223-L231 HydrophobicContact CD1-CD1 3.84Å |
| 224 | P | 89.3 | Confident | 83.7 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | trans | -68 | 149.1 | 170.6 | 30 | -34.9 | 0 | 0 | 0 | 111 | F226 L227 I228 | P224-F226 VanDerWaalsContact C-N 3.26Å; P224-F226 HydrophobicContact CB-CD1 3.71Å; P224-F226 HydrophobicContact CB-CE1 3.51Å; P224-F226 HydrophobicContact CB-CZ 4.4Å; P224-F226 HydrophobicContact CG-CD1 3.81Å; P224-F226 HydrophobicContact CG-CE1 3.25Å; P224-F226 HydrophobicContact CG-CZ 3.66Å; P224-F226 PolarHBondContact O-N 3.05Å; P224-F226 VanDerWaalsContact O-N 3.1Å; P224-L227 HydrophobicContact CG-CB 3.92Å; P224-L227 WeakPolarHBondContact O-CB 3.1Å; P224-L227 PolarHBondContact O-N 3.02Å; P224-I228 PolarHBondContact O-N 3.14Å | ||
| 225 | D | 91.4 | Very high | 84.5 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -49.7 | -42.5 | -175 | -65 | 5.9 | 0 | 0 | 0 | 113.7 | L227 I228 W229 I298 Q302 | D225-L227 PolarHBondContact O-N 3.06Å; D225-I228 PolarHBondContact O-N 3.17Å; D225-I228 VanDerWaalsContact O-N 3.14Å; D225-W229 PolarHBondContact O-N 2.9Å; D225-I298 HydrophobicContact CB-CG2 4.15Å; D225-Q302 PolarHBondContact OD2-NE2 3.03Å |
| 226 | F | 90 | Very high | 85.1 | Confident | 135 Ų | 135 | 64 Ų | 64 | 59% | 0.592 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60 | -35.9 | 179.2 | 77.3 | -95.4 | 0 | 0 | 0 | 112.4 | P224 W229 D230 | P224-F226 VanDerWaalsContact C-N 3.26Å; P224-F226 HydrophobicContact CB-CD1 3.71Å; P224-F226 HydrophobicContact CB-CE1 3.51Å; P224-F226 HydrophobicContact CB-CZ 4.4Å; P224-F226 HydrophobicContact CG-CD1 3.81Å; P224-F226 HydrophobicContact CG-CE1 3.25Å; P224-F226 HydrophobicContact CG-CZ 3.66Å; P224-F226 PolarHBondContact O-N 3.05Å; P224-F226 VanDerWaalsContact O-N 3.1Å; F226-W229 PolarHBondContact O-N 2.78Å; F226-D230 PolarHBondContact O-N 2.65Å |
| 227 | L | 87.2 | Confident | 85.9 | Confident | 56 Ų | 56 | 63.8 Ų | 63.8 | 29% | 0.293 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -75.1 | -33.1 | 179.5 | -177.3 | 59.6 | 0 | 0 | 0 | 111.1 | L223 P224 D225 D230 L231 | L223-L227 HydrophobicContact CB-CD2 4.33Å; L223-L227 HydrophobicContact CD2-CD2 3.9Å; L223-L227 HydrophobicContact CG-CD2 4.5Å; P224-L227 HydrophobicContact CG-CB 3.92Å; P224-L227 WeakPolarHBondContact O-CB 3.1Å; P224-L227 PolarHBondContact O-N 3.02Å; D225-L227 PolarHBondContact O-N 3.06Å; L227-D230 PolarHBondContact O-N 3.09Å; L227-L231 HydrophobicContact CD1-CD1 4.14Å; L227-L231 HydrophobicContact CD1-CG 4.05Å; L227-L231 HydrophobicContact CG-CD1 3.93Å; L227-L231 HydrophobicContact CG-CG 4.3Å; L227-L231 VanDerWaalsContact O-CB 3.32Å; L227-L231 WeakPolarHBondContact O-CB 3.35Å; L227-L231 WeakPolarHBondContact O-CG 3.49Å; L227-L231 PolarHBondContact O-N 2.94Å |
| 228 | I | 87.1 | Confident | 86.7 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 172.4 | -57.5 | 171.5 | 0 | 0 | 0 | 109.4 | L220 L223 P224 D225 D230 L231 F232 V294 I298 A301 | L220-I228 HydrophobicContact CD1-CD1 4.22Å; L220-I228 HydrophobicContact CD1-CG1 4.01Å; L220-I228 HydrophobicContact CD1-CG2 4.17Å; L220-I228 HydrophobicContact CD2-CD1 4.45Å; L220-I228 HydrophobicContact CD2-CG2 4.33Å; L220-I228 HydrophobicContact CG-CD1 3.89Å; L220-I228 HydrophobicContact CG-CG1 4.25Å; L220-I228 HydrophobicContact CG-CG2 4.48Å; L223-I228 HydrophobicContact CB-CD1 4.45Å; L223-I228 HydrophobicContact CB-CG1 3.9Å; P224-I228 PolarHBondContact O-N 3.14Å; D225-I228 PolarHBondContact O-N 3.17Å; D225-I228 VanDerWaalsContact O-N 3.14Å; I228-D230 PolarHBondContact O-N 3.41Å; I228-L231 PolarHBondContact O-N 2.75Å; I228-F232 HydrophobicContact CG2-CD2 3.83Å; I228-F232 HydrophobicContact CG2-CE2 4.41Å; I228-F232 WeakPolarHBondContact O-CD2 3.35Å; I228-F232 PolarHBondContact O-N 2.91Å; I228-V294 HydrophobicContact CG2-CG1 4.22Å; I228-I298 HydrophobicContact CB-CD1 4.14Å; I228-I298 HydrophobicContact CB-CG1 3.94Å; I228-I298 HydrophobicContact CD1-CG1 4.17Å; I228-I298 HydrophobicContact CG2-CD1 3.91Å; I228-I298 HydrophobicContact CG2-CG1 3.51Å; I228-A301 HydrophobicContact CD1-CB 3.93Å |
| 229 | W | 90.4 | Very high | 87.1 | Confident | 54 Ų | 54 | 64.5 Ų | 64.5 | 21% | 0.205 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 174.5 | -71.1 | 122.4 | 0 | 0 | 0 | 112.9 | D225 F226 G233 R234 V294 Q295 I298 F312 | D225-W229 PolarHBondContact O-N 2.9Å; F226-W229 PolarHBondContact O-N 2.78Å; W229-G233 WeakPolarHBondContact O-CA 3.45Å; W229-G233 PolarHBondContact O-N 3.11Å; W229-R234 HydrophobicContact CD2-CG 4.39Å; W229-R234 HydrophobicContact CE3-CB 4.19Å; W229-R234 HydrophobicContact CE3-CG 3.67Å; W229-R234 HydrophobicContact CZ3-CB 4.05Å; W229-R234 HydrophobicContact CZ3-CG 3.99Å; W229-V294 HydrophobicContact CE3-CB 4.43Å; W229-V294 HydrophobicContact CE3-CG1 3.8Å; W229-V294 HydrophobicContact CZ3-CB 4.03Å; W229-V294 HydrophobicContact CZ3-CG1 3.82Å; W229-Q295 HydrophobicContact CH2-CB 3.72Å; W229-Q295 HydrophobicContact CH2-CG 4.15Å; W229-Q295 HydrophobicContact CZ2-CB 4.46Å; W229-Q295 HydrophobicContact CZ2-CG 4.46Å; W229-I298 HydrophobicContact CD2-CD1 3.29Å; W229-I298 HydrophobicContact CE3-CD1 3.72Å; W229-I298 HydrophobicContact CG-CD1 3.77Å; W229-I298 HydrophobicContact CH2-CD1 3.93Å; W229-I298 HydrophobicContact CZ2-CD1 3.48Å; W229-I298 VanDerWaalsContact CZ2-CD1 3.48Å; W229-I298 HydrophobicContact CZ3-CD1 4.01Å; W229-F312 HydrophobicContact CZ2-CZ 4.43Å |
| 230 | D | 87.8 | Confident | 87.2 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.9 | -36 | 179.6 | -74.8 | -16.2 | 0 | 0 | 0 | 112.5 | F226 L227 I228 | F226-D230 PolarHBondContact O-N 2.65Å; L227-D230 PolarHBondContact O-N 3.09Å; I228-D230 PolarHBondContact O-N 3.41Å |
| 231 | L | 83.4 | Confident | 87.2 | Confident | 104 Ų | 104 | 60.4 Ų | 60.4 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -78.9 | -39.7 | -177.8 | -73.2 | 173.7 | 0 | 0 | 0 | 113.5 | L223 L227 I228 | L223-L231 HydrophobicContact CD1-CD1 3.84Å; L227-L231 HydrophobicContact CD1-CD1 4.14Å; L227-L231 HydrophobicContact CD1-CG 4.05Å; L227-L231 HydrophobicContact CG-CD1 3.93Å; L227-L231 HydrophobicContact CG-CG 4.3Å; L227-L231 VanDerWaalsContact O-CB 3.32Å; L227-L231 WeakPolarHBondContact O-CB 3.35Å; L227-L231 WeakPolarHBondContact O-CG 3.49Å; L227-L231 PolarHBondContact O-N 2.94Å; I228-L231 PolarHBondContact O-N 2.75Å |
| 232 | F | 86.6 | Confident | 86.6 | Confident | 44 Ų | 44 | 66.9 Ų | 66.9 | 19% | 0.193 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -109.8 | -7 | -171.8 | -59.9 | -75.9 | 0 | 0 | 0 | 113.3 | M2 L220 I228 F237 V294 | M2-F232 HydrophobicContact CG-CE1 4.38Å; M2-F232 HydrophobicContact SD-CD1 3.85Å; M2-F232 HydrophobicContact SD-CE1 4.06Å; L220-F232 HydrophobicContact CD1-CD2 4.41Å; L220-F232 HydrophobicContact CD1-CE2 3.61Å; L220-F232 HydrophobicContact CD1-CZ 4.25Å; I228-F232 HydrophobicContact CG2-CD2 3.83Å; I228-F232 HydrophobicContact CG2-CE2 4.41Å; I228-F232 WeakPolarHBondContact O-CD2 3.35Å; I228-F232 PolarHBondContact O-N 2.91Å; F232-F237 HydrophobicContact CB-CD2 4.4Å; F232-F237 AromaticContact CD1-CD2 4Å; F232-F237 HydrophobicContact CD1-CD2 4Å; F232-F237 AromaticContact CD1-CE2 3.63Å; F232-F237 HydrophobicContact CD1-CE2 3.63Å; F232-F237 AromaticContact CE1-CE2 3.73Å; F232-F237 HydrophobicContact CE1-CE2 3.73Å; F232-F237 HydrophobicContact CG-CD2 4.21Å; F232-F237 HydrophobicContact CG-CE2 4.05Å; F232-F237 HydrophobicContact CZ-CE2 4.23Å; F232-V294 HydrophobicContact CB-CG1 4.15Å; F232-V294 HydrophobicContact CB-CG2 3.88Å |
| 233 | G | 92.2 | Very high | 85.8 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 32% | 0.32 | 35% | 0.345 | S | S | . | . | trans | 74.1 | -168.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.5 | W229 V294 | W229-G233 WeakPolarHBondContact O-CA 3.45Å; W229-G233 PolarHBondContact O-N 3.11Å; G233-V294 WeakPolarHBondContact O-CG1 3.37Å | ||
| 234 | R | 95.2 | Very high | 85.2 | Confident | 120 Ų | 120 | 69.2 Ų | 69.2 | 45% | 0.453 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -109.4 | 21.2 | -174.6 | -59.2 | -173.4 | 179.9 | 85.1 | 9.6 | 114.7 | E141 W229 | E141-R234 HydrophobicContact CB-CB 4.32Å; E141-R234 HydrophobicContact CG-CB 4.06Å; E141-R234 WeakPolarHBondContact OE2-CD 3.47Å; W229-R234 HydrophobicContact CD2-CG 4.39Å; W229-R234 HydrophobicContact CE3-CB 4.19Å; W229-R234 HydrophobicContact CE3-CG 3.67Å; W229-R234 HydrophobicContact CZ3-CB 4.05Å; W229-R234 HydrophobicContact CZ3-CG 3.99Å |
| 235 | R | 94.9 | Very high | 84.4 | Confident | 101 Ų | 101 | 69 Ų | 69 | 38% | 0.381 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -118.8 | -138.4 | -171.8 | -61.1 | -173.1 | -172.4 | -173.8 | -3.9 | 111.9 | D139 E141 W144 V294 | D139-R235 PolarHBondContact O-NH1 2.98Å; D139-R235 PolarHBondContact O-NH2 2.93Å; E141-R235 HydrophobicContact CG-CG 4.26Å; W144-R235 VanDerWaalsContact CG-C 3.45Å; W144-R235 VanDerWaalsContact CG-CA 3.45Å; W144-R235 HydrophobicContact CG-CB 4.02Å; R235-V294 WeakPolarHBondContact O-CG2 3.24Å; R235-V294 PolarHBondContact O-N 3.48Å |
| 236 | D | 92.7 | Very high | 83.7 | Confident | 47 Ų | 47 | 70.3 Ų | 70.3 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 145.5 | 176.2 | 44.6 | -15 | 0 | 0 | 0 | 113 | R131 W144 P239 T292 | R131-D236 IonicContact CZ-OD2 3.87Å; R131-D236 IonicContact NH1-OD2 2.94Å; R131-D236 IonicContact NH2-OD2 3.97Å; R131-D236 PolarHBondContact NH2-OD2 2.8Å; W144-D236 HydrophobicContact CD2-CB 4.07Å; W144-D236 HydrophobicContact CE3-CB 3.93Å; W144-D236 HydrophobicContact CH2-CB 3.56Å; W144-D236 HydrophobicContact CZ2-CB 3.69Å; W144-D236 HydrophobicContact CZ3-CB 3.66Å; D236-P239 HydrophobicContact CB-CB 4.45Å; D236-P239 HydrophobicContact CB-CG 4.41Å; D236-P239 WeakPolarHBondContact OD2-CB 3.27Å; D236-P239 WeakPolarHBondContact OD2-CG 3.5Å; D236-T292 CarbonylContact C-O 3.43Å; D236-T292 VanDerWaalsContact CA-O 3.31Å; D236-T292 WeakPolarHBondContact CA-O 3.49Å |
| 237 | F | 88.9 | Confident | 82.7 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 10% | 0.101 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.6 | 170.8 | -174.4 | -96 | 0 | 0 | 0 | 108.8 | L93 F232 T292 V294 M297 | L93-F237 HydrophobicContact CD1-CD1 4.28Å; L93-F237 HydrophobicContact CD1-CE1 4.16Å; L93-F237 HydrophobicContact CD2-CD1 4.18Å; L93-F237 WeakPolarHBondContact CD2-O 3.31Å; F232-F237 HydrophobicContact CB-CD2 4.4Å; F232-F237 AromaticContact CD1-CD2 4Å; F232-F237 HydrophobicContact CD1-CD2 4Å; F232-F237 AromaticContact CD1-CE2 3.63Å; F232-F237 HydrophobicContact CD1-CE2 3.63Å; F232-F237 AromaticContact CE1-CE2 3.73Å; F232-F237 HydrophobicContact CE1-CE2 3.73Å; F232-F237 HydrophobicContact CG-CD2 4.21Å; F232-F237 HydrophobicContact CG-CE2 4.05Å; F232-F237 HydrophobicContact CZ-CE2 4.23Å; F237-T292 HydrophobicContact CB-CG2 4Å; F237-T292 HydrophobicContact CD1-CG2 4.22Å; F237-T292 PolarHBondContact N-O 2.84Å; F237-T292 PolarHBondContact O-N 3.13Å; F237-V294 HydrophobicContact CB-CG2 4.01Å; F237-V294 HydrophobicContact CD2-CG2 4.4Å; F237-M297 HydrophobicContact CB-CG 3.91Å; F237-M297 HydrophobicContact CD1-CE 4.13Å; F237-M297 HydrophobicContact CD1-CG 3.49Å; F237-M297 VanDerWaalsContact CD1-CG 3.49Å; F237-M297 HydrophobicContact CD1-SD 3.69Å; F237-M297 HydrophobicContact CD2-CG 4.09Å; F237-M297 HydrophobicContact CE1-CE 3.69Å; F237-M297 HydrophobicContact CE1-CG 3.95Å; F237-M297 HydrophobicContact CE1-SD 3.89Å; F237-M297 HydrophobicContact CE2-CG 4.48Å; F237-M297 HydrophobicContact CG-CG 3.56Å; F237-M297 HydrophobicContact CG-SD 4.38Å; F237-M297 HydrophobicContact CZ-CE 4.15Å; F237-M297 HydrophobicContact CZ-CG 4.43Å |
| 238 | L | 84.1 | Confident | 82 | Confident | 45 Ų | 45 | 62.5 Ų | 62.5 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 48.2 | 56.2 | 178.9 | -59.2 | 178.4 | 0 | 0 | 0 | 114.6 | L93 L268 P289 G291 | L93-L238 HydrophobicContact CD1-CD1 4.24Å; L93-L238 HydrophobicContact CD2-CB 4.14Å; L238-L268 HydrophobicContact CD1-CD2 4.19Å; L238-P289 HydrophobicContact CB-CB 4.28Å; L238-P289 HydrophobicContact CB-CG 4.06Å; L238-G291 WeakPolarHBondContact O-CA 3.37Å; L238-G291 PolarHBondContact O-N 3.14Å |
| 239 | P | 84.3 | Confident | 81.4 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 22% | 0.221 | 31% | 0.307 | C | S | . | . | trans | -65.2 | 157.4 | 169.3 | 34.6 | -40.5 | 0 | 0 | 0 | 111.1 | D236 I244 | D236-P239 HydrophobicContact CB-CB 4.45Å; D236-P239 HydrophobicContact CB-CG 4.41Å; D236-P239 WeakPolarHBondContact OD2-CB 3.27Å; D236-P239 WeakPolarHBondContact OD2-CG 3.5Å; P239-I244 WeakPolarHBondContact O-CD1 3.34Å | ||
| 240 | Q | 77.6 | Confident | 80.5 | Confident | 41 Ų | 41 | 66 Ų | 66 | 19% | 0.192 | 32% | 0.315 | C | S | . | . | trans | -56.6 | 141.2 | 166.3 | -81.3 | -62.6 | -26 | 0 | 0 | 110.9 | T128 T286 P289 | T128-Q240 WeakPolarHBondContact OG1-CG 3.13Å; Q240-T286 PolarHBondContact NE2-O 3.28Å; Q240-T286 PolarHBondContact OE1-O 3Å; Q240-T286 VanDerWaalsContact OE1-O 3.09Å; Q240-P289 VanDerWaalsContact CD-O 3.28Å; Q240-P289 VanDerWaalsContact CG-O 3.32Å; Q240-P289 WeakPolarHBondContact CG-O 3.32Å; Q240-P289 PolarHBondContact NE2-O 2.82Å | ||
| 241 | S | 76.3 | Confident | 79.7 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | trans | -149.9 | 160.2 | -177.3 | 70.8 | 0 | 0 | 0 | 0 | 111.9 | Y243 I244 K245 | S241-Y243 PolarHBondContact O-N 2.95Å; S241-Y243 VanDerWaalsContact O-N 3.14Å; S241-I244 PolarHBondContact O-N 2.8Å; S241-I244 VanDerWaalsContact O-N 3.07Å; S241-I244 PolarHBondContact OG-N 3.33Å; S241-K245 PolarHBondContact O-N 3.06Å | ||
| 242 | Q | 70.3 | Confident | 79.1 | Confident | 149 Ų | 149 | 56 Ų | 56 | 70% | 0.696 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.5 | -26.5 | 175.2 | -63.1 | -59.5 | -29.2 | 0 | 0 | 112.5 | W246 | Q242-W246 VanDerWaalsContact O-CB 3.31Å; Q242-W246 WeakPolarHBondContact O-CB 3.21Å; Q242-W246 PolarHBondContact O-N 3.35Å |
| 243 | Y | 68.9 | Low | 78.2 | Confident | 160 Ų | 160 | 55.3 Ų | 55.3 | 63% | 0.627 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -72.8 | -40 | 175.9 | -59.7 | -72.6 | 0 | 0 | 0 | 112.7 | S241 K245 W246 L247 | S241-Y243 PolarHBondContact O-N 2.95Å; S241-Y243 VanDerWaalsContact O-N 3.14Å; Y243-K245 VanDerWaalsContact C-N 3.34Å; Y243-W246 PolarHBondContact O-N 3.35Å; Y243-L247 WeakPolarHBondContact O-CB 3.46Å; Y243-L247 PolarHBondContact O-N 3.26Å |
| 244 | I | 71.1 | Confident | 77.2 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 14% | 0.138 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66 | -42.6 | 175 | -66.7 | 171.4 | 0 | 0 | 0 | 109.4 | P239 S241 L247 A248 T285 P289 | P239-I244 WeakPolarHBondContact O-CD1 3.34Å; S241-I244 PolarHBondContact O-N 2.8Å; S241-I244 VanDerWaalsContact O-N 3.07Å; S241-I244 PolarHBondContact OG-N 3.33Å; I244-L247 WeakPolarHBondContact O-CB 3.36Å; I244-L247 PolarHBondContact O-N 3.25Å; I244-A248 PolarHBondContact O-N 3.39Å; I244-T285 HydrophobicContact CG2-CG2 4.31Å; I244-T285 WeakPolarHBondContact CG2-O 3.45Å; I244-P289 HydrophobicContact CD1-CG 4.29Å |
| 245 | K | 71.5 | Confident | 75.5 | Confident | 57 Ų | 57 | 58.7 Ų | 58.7 | 25% | 0.248 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 173.6 | -172.6 | 175.8 | 179.9 | 173.5 | 0 | 112.2 | D40 S241 Y243 L247 A248 E249 T286 | D40-K245 WeakPolarHBondContact OD1-CE 3.3Å; D40-K245 IonicContact OD1-NZ 2.66Å; D40-K245 PolarHBondContact OD1-NZ 2.87Å; S241-K245 PolarHBondContact O-N 3.06Å; Y243-K245 VanDerWaalsContact C-N 3.34Å; K245-L247 VanDerWaalsContact C-N 3.3Å; K245-L247 PolarHBondContact O-N 3.39Å; K245-A248 WeakPolarHBondContact O-CB 3.26Å; K245-A248 PolarHBondContact O-N 3.13Å; K245-A248 VanDerWaalsContact O-N 3.12Å; K245-E249 WeakPolarHBondContact CE-OE1 3.37Å; K245-E249 HydrophobicContact CG-CG 4.49Å; K245-E249 WeakPolarHBondContact O-CG 3.33Å; K245-E249 PolarHBondContact O-N 3.46Å; K245-T286 HydrophobicContact CG-CG2 4.36Å |
| 246 | W | 77.3 | Confident | 73.8 | Confident | 87 Ų | 87 | 61.7 Ų | 61.7 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 175.8 | 179.9 | 87.6 | 0 | 0 | 0 | 112.2 | M9 Q242 Y243 E249 H250 V251 | M9-W246 HydrophobicContact CE-CE3 4.42Å; M9-W246 HydrophobicContact SD-CZ3 4.42Å; Q242-W246 VanDerWaalsContact O-CB 3.31Å; Q242-W246 WeakPolarHBondContact O-CB 3.21Å; Q242-W246 PolarHBondContact O-N 3.35Å; Y243-W246 PolarHBondContact O-N 3.35Å; W246-E249 PolarHBondContact O-N 2.99Å; W246-H250 AromaticContact CD1-CE1 3.75Å; W246-H250 AromaticContact CD1-ND1 3.46Å; W246-H250 HydrophobicContact CD2-CB 4.46Å; W246-H250 AromaticContact CG-ND1 3.95Å; W246-H250 HydrophobicContact CZ2-CB 4.21Å; W246-H250 AromaticContact NE1-CE1 3.9Å; W246-H250 AromaticContact NE1-CG 3.74Å; W246-H250 AromaticContact NE1-ND1 3.57Å; W246-H250 WeakPolarHBondContact O-CB 3.4Å; W246-H250 PolarHBondContact O-N 3.23Å; W246-H250 PolarHBondContact O-ND1 3.27Å; W246-H250 VanDerWaalsContact O-ND1 3.17Å; W246-V251 HydrophobicContact CZ3-CG2 4.39Å |
| 247 | L | 69 | Low | 72.3 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 175.3 | 179.6 | 71.1 | 0 | 0 | 0 | 111 | M9 Y243 I244 K245 V251 C252 L264 | M9-L247 HydrophobicContact CE-CB 4.26Å; M9-L247 HydrophobicContact SD-CB 4.32Å; M9-L247 HydrophobicContact SD-CD1 3.81Å; M9-L247 HydrophobicContact SD-CD2 4.46Å; M9-L247 HydrophobicContact SD-CG 4.43Å; Y243-L247 WeakPolarHBondContact O-CB 3.46Å; Y243-L247 PolarHBondContact O-N 3.26Å; I244-L247 WeakPolarHBondContact O-CB 3.36Å; I244-L247 PolarHBondContact O-N 3.25Å; K245-L247 VanDerWaalsContact C-N 3.3Å; K245-L247 PolarHBondContact O-N 3.39Å; L247-V251 HydrophobicContact CD1-CB 3.68Å; L247-V251 HydrophobicContact CD1-CG1 4.05Å; L247-V251 HydrophobicContact CD1-CG2 3.63Å; L247-V251 HydrophobicContact CG-CB 4.44Å; L247-V251 WeakPolarHBondContact O-CA 3.46Å; L247-V251 VanDerWaalsContact O-CB 3.25Å; L247-V251 WeakPolarHBondContact O-CB 3.46Å; L247-V251 PolarHBondContact O-N 3.15Å; L247-C252 PolarHBondContact O-N 3.12Å; L247-C252 VanDerWaalsContact O-N 3.08Å; L247-L264 HydrophobicContact CD2-CD2 4.41Å |
| 248 | A | 71.7 | Confident | 71.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -58.3 | -49.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I244 K245 C252 A253 T285 T286 | I244-A248 PolarHBondContact O-N 3.39Å; K245-A248 WeakPolarHBondContact O-CB 3.26Å; K245-A248 PolarHBondContact O-N 3.13Å; K245-A248 VanDerWaalsContact O-N 3.12Å; A248-C252 VanDerWaalsContact CA-SG 3.57Å; A248-C252 WeakPolarHBondContact O-CB 3.45Å; A248-C252 PolarHBondContact O-N 3.44Å; A248-A253 PolarHBondContact O-N 3.38Å; A248-A253 VanDerWaalsContact O-N 3.17Å; A248-T285 HydrophobicContact CB-CG2 4.04Å; A248-T286 WeakPolarHBondContact CB-OG1 3.38Å |
| 249 | E | 75.3 | Confident | 70 | Confident | 49 Ų | 49 | 65 Ų | 65 | 23% | 0.229 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -69.8 | -39.2 | -176.3 | -66.6 | 175.7 | 176.8 | 0 | 0 | 113.5 | L35 V39 K245 W246 A253 | L35-E249 HydrophobicContact CD1-CB 3.83Å; L35-E249 HydrophobicContact CD1-CG 3.67Å; V39-E249 HydrophobicContact CG1-CG 4.24Å; K245-E249 WeakPolarHBondContact CE-OE1 3.37Å; K245-E249 HydrophobicContact CG-CG 4.49Å; K245-E249 WeakPolarHBondContact O-CG 3.33Å; K245-E249 PolarHBondContact O-N 3.46Å; W246-E249 PolarHBondContact O-N 2.99Å; E249-A253 VanDerWaalsContact O-CB 3.28Å; E249-A253 WeakPolarHBondContact O-CB 3.24Å |
| 250 | H | 71.8 | Confident | 69 | Low | 80 Ų | 80 | 67.3 Ų | 67.3 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -107.4 | -17.1 | -167.3 | -64.2 | 79.1 | 0 | 0 | 0 | 114.3 | W246 K254 | W246-H250 AromaticContact CD1-CE1 3.75Å; W246-H250 AromaticContact CD1-ND1 3.46Å; W246-H250 HydrophobicContact CD2-CB 4.46Å; W246-H250 AromaticContact CG-ND1 3.95Å; W246-H250 HydrophobicContact CZ2-CB 4.21Å; W246-H250 AromaticContact NE1-CE1 3.9Å; W246-H250 AromaticContact NE1-CG 3.74Å; W246-H250 AromaticContact NE1-ND1 3.57Å; W246-H250 WeakPolarHBondContact O-CB 3.4Å; W246-H250 PolarHBondContact O-N 3.23Å; W246-H250 PolarHBondContact O-ND1 3.27Å; W246-H250 VanDerWaalsContact O-ND1 3.17Å; H250-K254 VanDerWaalsContact O-CD 3.27Å; H250-K254 WeakPolarHBondContact O-CD 3.25Å; H250-K254 WeakPolarHBondContact O-CE 3.46Å; H250-K254 PolarHBondContact O-NZ 3.45Å |
| 251 | V | 71.4 | Confident | 68.3 | Low | 8 Ų | 8 | 65.4 Ų | 65.4 | 5% | 0.048 | 32% | 0.324 | C | S | . | . | I | π-helix | trans | -113.9 | -58.6 | 177.9 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | W246 L247 A253 K254 L257 L260 | W246-V251 HydrophobicContact CZ3-CG2 4.39Å; L247-V251 HydrophobicContact CD1-CB 3.68Å; L247-V251 HydrophobicContact CD1-CG1 4.05Å; L247-V251 HydrophobicContact CD1-CG2 3.63Å; L247-V251 HydrophobicContact CG-CB 4.44Å; L247-V251 WeakPolarHBondContact O-CA 3.46Å; L247-V251 VanDerWaalsContact O-CB 3.25Å; L247-V251 WeakPolarHBondContact O-CB 3.46Å; L247-V251 PolarHBondContact O-N 3.15Å; V251-A253 VanDerWaalsContact C-N 3.26Å; V251-A253 PolarHBondContact O-N 3.29Å; V251-K254 PolarHBondContact O-N 3.17Å; V251-K254 VanDerWaalsContact O-N 3.11Å; V251-L257 HydrophobicContact CG1-CB 3.89Å; V251-L257 HydrophobicContact CG1-CD1 4.26Å; V251-L257 WeakPolarHBondContact O-CB 2.95Å; V251-L260 HydrophobicContact CG1-CB 4.49Å; V251-L260 HydrophobicContact CG1-CD1 4.14Å |
| 252 | C | 69.6 | Low | 67.4 | Low | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -64.2 | -31.7 | -175.1 | -48.3 | 0 | 0 | 0 | 0 | 113.2 | L247 A248 K254 S258 C261 T281 P282 | L247-C252 PolarHBondContact O-N 3.12Å; L247-C252 VanDerWaalsContact O-N 3.08Å; A248-C252 VanDerWaalsContact CA-SG 3.57Å; A248-C252 WeakPolarHBondContact O-CB 3.45Å; A248-C252 PolarHBondContact O-N 3.44Å; C252-K254 PolarHBondContact O-N 3.36Å; C252-S258 WeakPolarHBondContact O-CB 3.24Å; C252-C261 WeakPolarHBondContact CA-SG 3.09Å; C252-C261 HydrophobicContact CB-CB 3.6Å; C252-C261 WeakPolarHBondContact CB-SG 3.43Å; C252-C261 WeakPolarHBondContact SG-CB 3.48Å; C252-C261 CovalentContact SG-SG 1.99Å; C252-C261 PolarHBondContact SG-SG 2.96Å; C252-T281 PolarHBondContact O-OG1 3.46Å; C252-P282 HydrophobicContact CB-CG 4.2Å |
| 253 | A | 67.9 | Low | 66.8 | Low | 30 Ų | 30 | 60 Ų | 60 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L35 A248 E249 V251 P282 | L35-A253 HydrophobicContact CD2-CB 3.27Å; A248-A253 PolarHBondContact O-N 3.38Å; A248-A253 VanDerWaalsContact O-N 3.17Å; E249-A253 VanDerWaalsContact O-CB 3.28Å; E249-A253 WeakPolarHBondContact O-CB 3.24Å; V251-A253 VanDerWaalsContact C-N 3.26Å; V251-A253 PolarHBondContact O-N 3.29Å; A253-P282 HydrophobicContact CB-CG 3.88Å |
| 254 | K | 72 | Confident | 66.4 | Low | 95 Ų | 95 | 54 Ų | 54 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -93.2 | 123.9 | 179.9 | -66.7 | -179.4 | -179.6 | 165.4 | 0 | 109.7 | H250 V251 C252 L256 L257 S258 | H250-K254 VanDerWaalsContact O-CD 3.27Å; H250-K254 WeakPolarHBondContact O-CD 3.25Å; H250-K254 WeakPolarHBondContact O-CE 3.46Å; H250-K254 PolarHBondContact O-NZ 3.45Å; V251-K254 PolarHBondContact O-N 3.17Å; V251-K254 VanDerWaalsContact O-N 3.11Å; C252-K254 PolarHBondContact O-N 3.36Å; K254-L256 PolarHBondContact O-N 3.18Å; K254-L256 VanDerWaalsContact O-N 3.07Å; K254-L257 HydrophobicContact CB-CB 4.31Å; K254-L257 HydrophobicContact CB-CD1 4.41Å; K254-L257 HydrophobicContact CD-CD1 4.17Å; K254-L257 CarbonylContact O-C 3.51Å; K254-L257 WeakPolarHBondContact O-CA 3.38Å; K254-L257 PolarHBondContact O-N 3.04Å; K254-S258 PolarHBondContact O-N 3.2Å |
| 255 | T | 59.9 | Low | 65.8 | Low | 126 Ų | 126 | 52.8 Ų | 52.8 | 77% | 0.773 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -32.1 | -175.6 | -43.4 | 0 | 0 | 0 | 0 | 114.4 | L257 S258 | T255-L257 VanDerWaalsContact C-N 3.32Å; T255-S258 PolarHBondContact O-OG 3.44Å |
| 256 | L | 59.5 | Low | 65.1 | Low | 164 Ų | 164 | 54.2 Ų | 54.2 | 86% | 0.859 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11.7 | 177.4 | -77.8 | 152.5 | 0 | 0 | 0 | 113.8 | K254 | K254-L256 PolarHBondContact O-N 3.18Å; K254-L256 VanDerWaalsContact O-N 3.07Å |
| 257 | L | 61.1 | Low | 64.2 | Low | 57 Ų | 57 | 53.6 Ų | 53.6 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -3.5 | -173.7 | -59.8 | 176.5 | 0 | 0 | 0 | 113 | V251 K254 T255 E259 L260 | V251-L257 HydrophobicContact CG1-CB 3.89Å; V251-L257 HydrophobicContact CG1-CD1 4.26Å; V251-L257 WeakPolarHBondContact O-CB 2.95Å; K254-L257 HydrophobicContact CB-CB 4.31Å; K254-L257 HydrophobicContact CB-CD1 4.41Å; K254-L257 HydrophobicContact CD-CD1 4.17Å; K254-L257 CarbonylContact O-C 3.51Å; K254-L257 WeakPolarHBondContact O-CA 3.38Å; K254-L257 PolarHBondContact O-N 3.04Å; T255-L257 VanDerWaalsContact C-N 3.32Å; L257-E259 PolarHBondContact O-N 2.9Å; L257-L260 HydrophobicContact CB-CD1 4.29Å; L257-L260 HydrophobicContact CD2-CD1 3.82Å; L257-L260 VanDerWaalsContact O-CB 3.29Å; L257-L260 WeakPolarHBondContact O-CB 3.24Å; L257-L260 PolarHBondContact O-N 3.1Å |
| 258 | S | 62.9 | Low | 63.8 | Low | 13 Ų | 13 | 53.1 Ų | 53.1 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.9 | -29.3 | 176.2 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | C252 K254 T255 L260 C261 G262 | C252-S258 WeakPolarHBondContact O-CB 3.24Å; K254-S258 PolarHBondContact O-N 3.2Å; T255-S258 PolarHBondContact O-OG 3.44Å; S258-L260 PolarHBondContact O-N 3Å; S258-C261 PolarHBondContact O-N 3.31Å; S258-C261 VanDerWaalsContact O-N 3.09Å; S258-G262 PolarHBondContact O-N 3.43Å |
| 259 | E | 61.3 | Low | 63.5 | Low | 115 Ų | 115 | 53.7 Ų | 53.7 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.1 | -32.5 | 171.8 | -67.3 | -179.6 | -165.9 | 0 | 0 | 112.4 | L257 C261 G262 N263 | L257-E259 PolarHBondContact O-N 2.9Å; E259-C261 VanDerWaalsContact C-N 3.26Å; E259-C261 PolarHBondContact O-N 3.04Å; E259-G262 PolarHBondContact O-N 3.2Å; E259-N263 PolarHBondContact O-N 2.68Å; E259-N263 PolarHBondContact O-ND2 3.48Å |
| 260 | L | 62.3 | Low | 62.8 | Low | 82 Ų | 82 | 51.4 Ų | 51.4 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67 | -30.1 | 176.3 | -64.5 | 174.7 | 0 | 0 | 0 | 112.2 | V251 L257 S258 N263 L264 | V251-L260 HydrophobicContact CG1-CB 4.49Å; V251-L260 HydrophobicContact CG1-CD1 4.14Å; L257-L260 HydrophobicContact CB-CD1 4.29Å; L257-L260 HydrophobicContact CD2-CD1 3.82Å; L257-L260 VanDerWaalsContact O-CB 3.29Å; L257-L260 WeakPolarHBondContact O-CB 3.24Å; L257-L260 PolarHBondContact O-N 3.1Å; S258-L260 PolarHBondContact O-N 3Å; L260-N263 WeakPolarHBondContact O-CB 3.28Å; L260-N263 PolarHBondContact O-N 2.71Å; L260-L264 PolarHBondContact O-N 3.07Å |
| 261 | C | 63.4 | Low | 62.6 | Low | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -83.4 | -32.5 | 177.9 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | C252 S258 E259 N263 L264 F265 | C252-C261 WeakPolarHBondContact CA-SG 3.09Å; C252-C261 HydrophobicContact CB-CB 3.6Å; C252-C261 WeakPolarHBondContact CB-SG 3.43Å; C252-C261 WeakPolarHBondContact SG-CB 3.48Å; C252-C261 CovalentContact SG-SG 1.99Å; C252-C261 PolarHBondContact SG-SG 2.96Å; S258-C261 PolarHBondContact O-N 3.31Å; S258-C261 VanDerWaalsContact O-N 3.09Å; E259-C261 VanDerWaalsContact C-N 3.26Å; E259-C261 PolarHBondContact O-N 3.04Å; C261-N263 VanDerWaalsContact C-N 3.27Å; C261-N263 PolarHBondContact O-N 3Å; C261-L264 PolarHBondContact O-N 3.45Å; C261-F265 WeakPolarHBondContact O-CD2 3.37Å; C261-F265 PolarHBondContact O-N 2.72Å |
| 262 | G | 57.5 | Low | 62.6 | Low | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -51.9 | -48.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111 | S258 E259 L264 F265 F266 F271 | S258-G262 PolarHBondContact O-N 3.43Å; E259-G262 PolarHBondContact O-N 3.2Å; G262-L264 VanDerWaalsContact C-N 3.29Å; G262-L264 PolarHBondContact O-N 3.43Å; G262-F265 CarbonylContact O-C 3.6Å; G262-F265 WeakPolarHBondContact O-CA 3.2Å; G262-F265 WeakPolarHBondContact O-CB 3.02Å; G262-F265 PolarHBondContact O-N 2.88Å; G262-F266 PolarHBondContact O-N 2.98Å; G262-F271 VanDerWaalsContact CA-CZ 3.43Å; G262-F271 VanDerWaalsContact O-CD1 3.24Å; G262-F271 WeakPolarHBondContact O-CD1 3.39Å; G262-F271 WeakPolarHBondContact O-CE1 2.97Å |
| 263 | N | 57.7 | Low | 62.9 | Low | 78 Ų | 78 | 54.6 Ų | 54.6 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -28 | 178.4 | -74.1 | -52.1 | 0 | 0 | 0 | 114.7 | E259 L260 C261 F266 I267 | E259-N263 PolarHBondContact O-N 2.68Å; E259-N263 PolarHBondContact O-ND2 3.48Å; L260-N263 WeakPolarHBondContact O-CB 3.28Å; L260-N263 PolarHBondContact O-N 2.71Å; C261-N263 VanDerWaalsContact C-N 3.27Å; C261-N263 PolarHBondContact O-N 3Å; N263-F266 WeakPolarHBondContact O-CB 3.07Å; N263-F266 PolarHBondContact O-N 3.39Å; N263-I267 VanDerWaalsContact O-CG1 3.27Å; N263-I267 WeakPolarHBondContact O-CG1 3.45Å; N263-I267 PolarHBondContact O-N 2.88Å; N263-I267 VanDerWaalsContact O-N 3.08Å |
| 264 | L | 59.7 | Low | 63.6 | Low | 34 Ų | 34 | 62.1 Ų | 62.1 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 172.6 | -177.8 | 64.6 | 0 | 0 | 0 | 111 | L247 L260 C261 G262 I267 L268 T285 | L247-L264 HydrophobicContact CD2-CD2 4.41Å; L260-L264 PolarHBondContact O-N 3.07Å; C261-L264 PolarHBondContact O-N 3.45Å; G262-L264 VanDerWaalsContact C-N 3.29Å; G262-L264 PolarHBondContact O-N 3.43Å; L264-I267 PolarHBondContact O-N 2.95Å; L264-L268 WeakPolarHBondContact O-CG 3.48Å; L264-L268 PolarHBondContact O-N 3.21Å; L264-T285 HydrophobicContact CD2-CG2 4.31Å |
| 265 | F | 58.9 | Low | 64.5 | Low | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.1 | -35.4 | 173.4 | -69.6 | -58.4 | 0 | 0 | 0 | 112.8 | C261 G262 I267 L268 C269 G270 Y284 T285 C288 L378 W382 | C261-F265 WeakPolarHBondContact O-CD2 3.37Å; C261-F265 PolarHBondContact O-N 2.72Å; G262-F265 CarbonylContact O-C 3.6Å; G262-F265 WeakPolarHBondContact O-CA 3.2Å; G262-F265 WeakPolarHBondContact O-CB 3.02Å; G262-F265 PolarHBondContact O-N 2.88Å; F265-I267 VanDerWaalsContact C-N 3.33Å; F265-I267 PolarHBondContact O-N 2.91Å; F265-L268 PolarHBondContact O-N 3.4Å; F265-C269 PolarHBondContact O-N 2.86Å; F265-G270 PolarHBondContact O-N 3.38Å; F265-Y284 VanDerWaalsContact CZ-C 3.45Å; F265-T285 WeakPolarHBondContact CE2-OG1 3.28Å; F265-C288 HydrophobicContact CE1-CB 3.91Å; F265-L378 HydrophobicContact CB-CD1 3.75Å; F265-L378 HydrophobicContact CD1-CD1 4.21Å; F265-L378 HydrophobicContact CG-CD1 4.24Å; F265-W382 HydrophobicContact CD1-CH2 4.23Å; F265-W382 AromaticContact CD1-CZ3 3.85Å; F265-W382 HydrophobicContact CD1-CZ3 3.85Å; F265-W382 AromaticContact CE1-CH2 3.75Å; F265-W382 HydrophobicContact CE1-CH2 3.75Å; F265-W382 AromaticContact CE1-CZ3 3.78Å; F265-W382 HydrophobicContact CE1-CZ3 3.78Å; F265-W382 HydrophobicContact CG-CZ3 4.29Å; F265-W382 HydrophobicContact CZ-CH2 4.11Å; F265-W382 HydrophobicContact CZ-CZ3 4.13Å |
| 266 | F | 56 | Low | 65.8 | Low | 88 Ų | 88 | 52.6 Ų | 52.6 | 39% | 0.386 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.7 | -44.2 | 171 | -173.8 | -103.3 | 0 | 0 | 0 | 112.5 | G262 N263 L268 G270 F271 | G262-F266 PolarHBondContact O-N 2.98Å; N263-F266 WeakPolarHBondContact O-CB 3.07Å; N263-F266 PolarHBondContact O-N 3.39Å; F266-L268 VanDerWaalsContact C-N 3.3Å; F266-L268 PolarHBondContact O-N 2.61Å; F266-G270 PolarHBondContact O-N 3.28Å; F266-F271 HydrophobicContact CB-CD1 3.69Å; F266-F271 HydrophobicContact CB-CE1 3.73Å; F266-F271 HydrophobicContact CD2-CD1 4.22Å; F266-F271 HydrophobicContact CD2-CE1 4.39Å; F266-F271 HydrophobicContact CG-CD1 4.46Å; F266-F271 HydrophobicContact CG-CE1 4.46Å |
| 267 | I | 58.9 | Low | 67.3 | Low | 73 Ų | 73 | 46.7 Ų | 46.7 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.4 | -33.5 | -179.9 | -70.1 | 165.7 | 0 | 0 | 0 | 111.7 | P216 N263 L264 F265 | P216-I267 HydrophobicContact CB-CG2 4.48Å; N263-I267 VanDerWaalsContact O-CG1 3.27Å; N263-I267 WeakPolarHBondContact O-CG1 3.45Å; N263-I267 PolarHBondContact O-N 2.88Å; N263-I267 VanDerWaalsContact O-N 3.08Å; L264-I267 PolarHBondContact O-N 2.95Å; F265-I267 VanDerWaalsContact C-N 3.33Å; F265-I267 PolarHBondContact O-N 2.91Å |
| 268 | L | 60.5 | Low | 68.4 | Low | 18 Ų | 18 | 46 Ų | 46 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -83.3 | -49.7 | -178.5 | -65.8 | 174.7 | 0 | 0 | 0 | 111.6 | L93 M217 L238 L264 F265 F266 P289 | L93-L268 HydrophobicContact CD1-CD2 3.97Å; M217-L268 WeakPolarHBondContact CG-O 3.07Å; L238-L268 HydrophobicContact CD1-CD2 4.19Å; L264-L268 WeakPolarHBondContact O-CG 3.48Å; L264-L268 PolarHBondContact O-N 3.21Å; F265-L268 PolarHBondContact O-N 3.4Å; F266-L268 VanDerWaalsContact C-N 3.3Å; F266-L268 PolarHBondContact O-N 2.61Å; L268-P289 HydrophobicContact CD1-CB 4.42Å; L268-P289 HydrophobicContact CD1-CG 4.46Å |
| 269 | C | 66.6 | Low | 69.6 | Low | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.081 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.5 | -14.2 | -169.5 | -65.2 | 0 | 0 | 0 | 0 | 114.7 | F265 H377 L378 | F265-C269 PolarHBondContact O-N 2.86Å; C269-H377 HydrophobicContact CB-CB 4.28Å; C269-H377 WeakPolarHBondContact O-CB 3.26Å; C269-L378 HydrophobicContact CB-CD1 4.05Å; C269-L378 HydrophobicContact CB-CD2 3.79Å; C269-L378 HydrophobicContact CB-CG 3.79Å |
| 270 | G | 60.9 | Low | 70.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | 84 | 145 | -166.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F265 F266 L378 | F265-G270 PolarHBondContact O-N 3.38Å; F266-G270 PolarHBondContact O-N 3.28Å; G270-L378 WeakPolarHBondContact O-CD1 3.36Å; G270-L378 VanDerWaalsContact O-CG 3.31Å; G270-L378 WeakPolarHBondContact O-CG 3.29Å | ||
| 271 | F | 66.8 | Low | 72.1 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 10% | 0.096 | 21% | 0.211 | C | C | . | . | trans | -151.7 | 146.4 | 176.8 | 82.3 | -76.4 | 0 | 0 | 0 | 111.4 | G262 F266 E273 L276 L378 | G262-F271 VanDerWaalsContact CA-CZ 3.43Å; G262-F271 VanDerWaalsContact O-CD1 3.24Å; G262-F271 WeakPolarHBondContact O-CD1 3.39Å; G262-F271 WeakPolarHBondContact O-CE1 2.97Å; F266-F271 HydrophobicContact CB-CD1 3.69Å; F266-F271 HydrophobicContact CB-CE1 3.73Å; F266-F271 HydrophobicContact CD2-CD1 4.22Å; F266-F271 HydrophobicContact CD2-CE1 4.39Å; F266-F271 HydrophobicContact CG-CD1 4.46Å; F266-F271 HydrophobicContact CG-CE1 4.46Å; F271-E273 HydrophobicContact CD2-CB 4.39Å; F271-E273 VanDerWaalsContact CE2-CA 3.48Å; F271-E273 HydrophobicContact CE2-CB 3.66Å; F271-E273 HydrophobicContact CE2-CG 4.08Å; F271-E273 HydrophobicContact CZ-CB 4.21Å; F271-L276 HydrophobicContact CD2-CB 4.27Å; F271-L276 HydrophobicContact CD2-CD2 3.73Å; F271-L276 HydrophobicContact CE2-CD2 4.17Å; F271-L276 HydrophobicContact CG-CD2 4.49Å; F271-L378 HydrophobicContact CB-CD1 4.23Å | ||
| 272 | D | 71.3 | Confident | 73.1 | Confident | 35 Ų | 35 | 42.5 Ų | 42.5 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | trans | -88.6 | 109.5 | 166.2 | -178 | 4 | 0 | 0 | 0 | 110 | K274 N275 L276 E376 | D272-K274 PolarHBondContact O-N 3.14Å; D272-K274 VanDerWaalsContact O-N 3.17Å; D272-K274 WeakPolarHBondContact OD1-CB 3.35Å; D272-K274 PolarHBondContact OD1-N 3.37Å; D272-N275 HydrophobicContact CB-CB 4.08Å; D272-N275 CarbonylContact O-C 3.48Å; D272-N275 PolarHBondContact O-N 2.59Å; D272-L276 PolarHBondContact O-N 3.35Å; D272-L276 VanDerWaalsContact O-N 3.09Å; D272-E376 HydrophobicContact CB-CB 4.45Å | ||
| 273 | E | 75.1 | Confident | 74.7 | Confident | 101 Ų | 101 | 42.5 Ų | 42.5 | 47% | 0.472 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -30.2 | 177.7 | -171.2 | 179.2 | -174.4 | 0 | 0 | 112.9 | F271 N275 M278 | F271-E273 HydrophobicContact CD2-CB 4.39Å; F271-E273 VanDerWaalsContact CE2-CA 3.48Å; F271-E273 HydrophobicContact CE2-CB 3.66Å; F271-E273 HydrophobicContact CE2-CG 4.08Å; F271-E273 HydrophobicContact CZ-CB 4.21Å; E273-N275 VanDerWaalsContact C-N 3.28Å; E273-N275 PolarHBondContact O-N 3.21Å; E273-M278 HydrophobicContact CG-SD 4.41Å |
| 274 | K | 83.8 | Confident | 76.2 | Confident | 188 Ų | 188 | 38.8 Ų | 38.8 | 82% | 0.817 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -19.8 | -180 | -64.1 | 176.4 | -178.5 | 169.2 | 0 | 112.7 | D272 | D272-K274 PolarHBondContact O-N 3.14Å; D272-K274 VanDerWaalsContact O-N 3.17Å; D272-K274 WeakPolarHBondContact OD1-CB 3.35Å; D272-K274 PolarHBondContact OD1-N 3.37Å |
| 275 | N | 89.8 | Confident | 77.4 | Confident | 11 Ų | 11 | 37.2 Ų | 37.2 | 6% | 0.059 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 6 | -175.5 | -158.7 | 35.4 | 0 | 0 | 0 | 112.9 | D272 E273 D379 G383 L384 D385 | D272-N275 HydrophobicContact CB-CB 4.08Å; D272-N275 CarbonylContact O-C 3.48Å; D272-N275 PolarHBondContact O-N 2.59Å; E273-N275 VanDerWaalsContact C-N 3.28Å; E273-N275 PolarHBondContact O-N 3.21Å; N275-D379 VanDerWaalsContact CB-OD1 3.25Å; N275-D379 WeakPolarHBondContact CB-OD1 3.41Å; N275-D379 PolarHBondContact ND2-OD1 3.26Å; N275-G383 CarbonylContact O-C 3.59Å; N275-G383 WeakPolarHBondContact O-CA 3.16Å; N275-L384 WeakPolarHBondContact O-CG 3.47Å; N275-L384 PolarHBondContact O-N 3.22Å; N275-L384 PolarHBondContact OD1-N 3.27Å; N275-D385 PolarHBondContact ND2-OD1 3.37Å; N275-D385 PolarHBondContact OD1-N 2.78Å; N275-D385 PolarHBondContact OD1-OD1 2.82Å |
| 276 | L | 88.4 | Confident | 78.6 | Confident | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -100.4 | 138.7 | 173.2 | -171.1 | 65.8 | 0 | 0 | 0 | 111.7 | F271 D272 M278 T281 Y284 W382 | F271-L276 HydrophobicContact CD2-CB 4.27Å; F271-L276 HydrophobicContact CD2-CD2 3.73Å; F271-L276 HydrophobicContact CE2-CD2 4.17Å; F271-L276 HydrophobicContact CG-CD2 4.49Å; D272-L276 PolarHBondContact O-N 3.35Å; D272-L276 VanDerWaalsContact O-N 3.09Å; L276-M278 HydrophobicContact CB-SD 4.43Å; L276-M278 HydrophobicContact CD2-SD 4.12Å; L276-M278 HydrophobicContact CG-SD 4.45Å; L276-M278 PolarHBondContact O-N 3.22Å; L276-T281 HydrophobicContact CD2-CG2 4.27Å; L276-Y284 HydrophobicContact CD1-CD2 4.07Å; L276-Y284 HydrophobicContact CD1-CE2 3.61Å; L276-Y284 HydrophobicContact CG-CE2 4.09Å; L276-W382 HydrophobicContact CD1-CB 3.65Å; L276-W382 HydrophobicContact CD1-CE3 4.27Å; L276-W382 HydrophobicContact CD1-CG 4.44Å |
| 277 | N | 90.1 | Very high | 80.3 | Confident | 40 Ų | 40 | 34.2 Ų | 34.2 | 21% | 0.214 | 17% | 0.173 | C | C | . | . | trans | -74.6 | 93.3 | 171 | -168.2 | -18.1 | 0 | 0 | 0 | 111.2 | T279 R280 Y284 L384 | N277-T279 PolarHBondContact O-N 3.09Å; N277-T279 VanDerWaalsContact O-N 3.11Å; N277-T279 PolarHBondContact OD1-N 3.26Å; N277-T279 PolarHBondContact OD1-OG1 3Å; N277-R280 HydrophobicContact CB-CB 4.31Å; N277-R280 HydrophobicContact CB-CG 4.33Å; N277-R280 PolarHBondContact O-N 3.31Å; N277-Y284 WeakPolarHBondContact CB-OH 3.38Å; N277-L384 HydrophobicContact CB-CD2 3.83Å | ||
| 278 | M | 84.3 | Confident | 81.5 | Confident | 41 Ų | 41 | 31.1 Ų | 31.1 | 20% | 0.202 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -59.3 | -27.5 | -176.7 | -64.9 | -55.9 | -75.4 | 0 | 0 | 114 | E273 L276 R280 T281 | E273-M278 HydrophobicContact CG-SD 4.41Å; L276-M278 HydrophobicContact CB-SD 4.43Å; L276-M278 HydrophobicContact CD2-SD 4.12Å; L276-M278 HydrophobicContact CG-SD 4.45Å; L276-M278 PolarHBondContact O-N 3.22Å; M278-R280 PolarHBondContact O-N 3.33Å; M278-T281 HydrophobicContact CE-CG2 4.26Å; M278-T281 WeakPolarHBondContact O-CG2 3.49Å; M278-T281 PolarHBondContact O-N 3.06Å; M278-T281 PolarHBondContact O-OG1 3.38Å; M278-T281 HydrophobicContact SD-CG2 4.04Å |
| 279 | T | 87.3 | Confident | 82.9 | Confident | 118 Ų | 118 | 30.5 Ų | 30.5 | 72% | 0.724 | 16% | 0.155 | S | C | * | . | G | 310 helix | trans | -72.7 | -17.6 | 177.3 | 69.3 | 0 | 0 | 0 | 0 | 113.1 | N277 | N277-T279 PolarHBondContact O-N 3.09Å; N277-T279 VanDerWaalsContact O-N 3.11Å; N277-T279 PolarHBondContact OD1-N 3.26Å; N277-T279 PolarHBondContact OD1-OG1 3Å |
| 280 | R | 89.8 | Confident | 84.1 | Confident | 13 Ų | 13 | 30 Ų | 30 | 5% | 0.049 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -96.9 | 0.6 | 176.7 | -66.8 | -160.1 | 78.3 | 73.5 | 1.3 | 113.7 | D36 E38 T101 N277 M278 P282 V283 Y284 | D36-R280 IonicContact OD2-CZ 3.62Å; D36-R280 IonicContact OD2-NH1 3.93Å; D36-R280 PolarHBondContact OD2-NH1 3.32Å; D36-R280 IonicContact OD2-NH2 3.55Å; D36-R280 PolarHBondContact OD2-NH2 3.4Å; E38-R280 IonicContact OE1-NH2 3.72Å; E38-R280 PolarHBondContact OE1-NH2 3.23Å; E38-R280 VanDerWaalsContact OE1-NH2 3.15Å; E38-R280 IonicContact OE2-CZ 2.84Å; E38-R280 IonicContact OE2-NH2 3.02Å; E38-R280 PolarHBondContact OE2-NH2 3.21Å; T101-R280 PolarHBondContact O-NE 3.04Å; N277-R280 HydrophobicContact CB-CB 4.31Å; N277-R280 HydrophobicContact CB-CG 4.33Å; N277-R280 PolarHBondContact O-N 3.31Å; M278-R280 PolarHBondContact O-N 3.33Å; R280-P282 VanDerWaalsContact C-N 3.25Å; R280-P282 VanDerWaalsContact O-N 3.14Å; R280-V283 WeakPolarHBondContact O-CA 3.38Å; R280-V283 WeakPolarHBondContact O-CB 3.41Å; R280-V283 PolarHBondContact O-N 2.84Å; R280-Y284 HydrophobicContact CB-CD2 4.43Å; R280-Y284 HydrophobicContact CB-CE1 3.87Å; R280-Y284 HydrophobicContact CB-CE2 3.68Å; R280-Y284 WeakPolarHBondContact CB-OH 3.25Å; R280-Y284 WeakPolarHBondContact O-CD2 3.34Å; R280-Y284 PolarHBondContact O-N 3.5Å |
| 281 | T | 86.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -51 | -35.5 | 175.7 | 53.8 | 0 | 0 | 0 | 0 | 114.4 | C252 L276 M278 V283 Y284 T285 | C252-T281 PolarHBondContact O-OG1 3.46Å; L276-T281 HydrophobicContact CD2-CG2 4.27Å; M278-T281 HydrophobicContact CE-CG2 4.26Å; M278-T281 WeakPolarHBondContact O-CG2 3.49Å; M278-T281 PolarHBondContact O-N 3.06Å; M278-T281 PolarHBondContact O-OG1 3.38Å; M278-T281 HydrophobicContact SD-CG2 4.04Å; T281-V283 VanDerWaalsContact C-N 3.32Å; T281-V283 PolarHBondContact O-N 3.45Å; T281-Y284 HydrophobicContact CG2-CD2 4.38Å; T281-Y284 PolarHBondContact O-N 2.83Å; T281-T285 WeakPolarHBondContact O-CB 3.36Å; T281-T285 PolarHBondContact O-N 3.27Å; T281-T285 PolarHBondContact O-OG1 3.17Å |
| 282 | P | 85.6 | Confident | 87 | Confident | 9 Ų | 9 | 29.4 Ų | 29.4 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.9 | -38.6 | 173.3 | -22.8 | 35.7 | 0 | 0 | 0 | 113.2 | V39 C252 A253 R280 T286 | V39-P282 HydrophobicContact CG2-CB 3.87Å; C252-P282 HydrophobicContact CB-CG 4.2Å; A253-P282 HydrophobicContact CB-CG 3.88Å; R280-P282 VanDerWaalsContact C-N 3.25Å; R280-P282 VanDerWaalsContact O-N 3.14Å; P282-T286 PolarHBondContact O-N 3.19Å; P282-T286 VanDerWaalsContact O-N 3.16Å; P282-T286 PolarHBondContact O-OG1 3.33Å |
| 283 | V | 91.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -49.9 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | D36 E38 V39 T101 R280 T281 T285 T286 H287 | D36-V283 HydrophobicContact CB-CG2 3.7Å; E38-V283 HydrophobicContact CB-CG1 4.03Å; E38-V283 HydrophobicContact CB-CG2 4.11Å; V39-V283 HydrophobicContact CG2-CG2 3.96Å; T101-V283 HydrophobicContact CG2-CG1 3.99Å; R280-V283 WeakPolarHBondContact O-CA 3.38Å; R280-V283 WeakPolarHBondContact O-CB 3.41Å; R280-V283 PolarHBondContact O-N 2.84Å; T281-V283 VanDerWaalsContact C-N 3.32Å; T281-V283 PolarHBondContact O-N 3.45Å; V283-T285 PolarHBondContact O-N 3.07Å; V283-T286 PolarHBondContact O-N 3.07Å; V283-H287 PolarHBondContact O-CD2 3.49Å; V283-H287 PolarHBondContact O-N 2.75Å |
| 284 | Y | 89.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 179.4 | -50.2 | -35.6 | 0 | 0 | 0 | 111.4 | N102 F265 L276 N277 R280 T281 T286 H287 C288 W382 | N102-Y284 PolarHBondContact OD1-OH 3.25Å; F265-Y284 VanDerWaalsContact CZ-C 3.45Å; L276-Y284 HydrophobicContact CD1-CD2 4.07Å; L276-Y284 HydrophobicContact CD1-CE2 3.61Å; L276-Y284 HydrophobicContact CG-CE2 4.09Å; N277-Y284 WeakPolarHBondContact CB-OH 3.38Å; R280-Y284 HydrophobicContact CB-CD2 4.43Å; R280-Y284 HydrophobicContact CB-CE1 3.87Å; R280-Y284 HydrophobicContact CB-CE2 3.68Å; R280-Y284 WeakPolarHBondContact CB-OH 3.25Å; R280-Y284 WeakPolarHBondContact O-CD2 3.34Å; R280-Y284 PolarHBondContact O-N 3.5Å; T281-Y284 HydrophobicContact CG2-CD2 4.38Å; T281-Y284 PolarHBondContact O-N 2.83Å; Y284-T286 VanDerWaalsContact C-N 3.34Å; Y284-T286 PolarHBondContact O-N 3.3Å; Y284-H287 PolarHBondContact O-N 3.41Å; Y284-H287 VanDerWaalsContact O-N 3.12Å; Y284-C288 PolarHBondContact O-N 2.9Å; Y284-W382 HydrophobicContact CD1-CD2 4.11Å; Y284-W382 AromaticContact CD1-CE2 3.84Å; Y284-W382 HydrophobicContact CD1-CG 4.37Å; Y284-W382 HydrophobicContact CD1-CZ2 4.23Å; Y284-W382 AromaticContact CD1-NE1 3.88Å; Y284-W382 AromaticContact CE1-CD1 3.92Å; Y284-W382 HydrophobicContact CE1-CD2 4.36Å; Y284-W382 HydrophobicContact CE1-CG 4.14Å; Y284-W382 HydrophobicContact CG-CD2 4.23Å; Y284-W382 HydrophobicContact CG-CE3 4.35Å; Y284-W382 HydrophobicContact CG-CH2 4.49Å; Y284-W382 HydrophobicContact CG-CZ2 4.37Å; Y284-W382 HydrophobicContact CG-CZ3 4.47Å |
| 285 | T | 84.1 | Confident | 89.9 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.1 | -34.2 | -175.3 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | I244 A248 L264 F265 T281 V283 H287 C288 | I244-T285 HydrophobicContact CG2-CG2 4.31Å; I244-T285 WeakPolarHBondContact CG2-O 3.45Å; A248-T285 HydrophobicContact CB-CG2 4.04Å; L264-T285 HydrophobicContact CD2-CG2 4.31Å; F265-T285 WeakPolarHBondContact CE2-OG1 3.28Å; T281-T285 WeakPolarHBondContact O-CB 3.36Å; T281-T285 PolarHBondContact O-N 3.27Å; T281-T285 PolarHBondContact O-OG1 3.17Å; V283-T285 PolarHBondContact O-N 3.07Å; T285-H287 VanDerWaalsContact C-N 3.28Å; T285-H287 PolarHBondContact O-N 2.88Å; T285-C288 VanDerWaalsContact O-O 3.06Å |
| 286 | T | 85.2 | Confident | 90.3 | Very high | 14 Ų | 14 | 13.8 Ų | 13.8 | 9% | 0.086 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -74 | -21.2 | 175.7 | -55 | 0 | 0 | 0 | 0 | 113 | V39 Q240 K245 A248 P282 V283 Y284 | V39-T286 HydrophobicContact CG1-CG2 4.43Å; V39-T286 WeakPolarHBondContact O-CG2 3.09Å; Q240-T286 PolarHBondContact NE2-O 3.28Å; Q240-T286 PolarHBondContact OE1-O 3Å; Q240-T286 VanDerWaalsContact OE1-O 3.09Å; K245-T286 HydrophobicContact CG-CG2 4.36Å; A248-T286 WeakPolarHBondContact CB-OG1 3.38Å; P282-T286 PolarHBondContact O-N 3.19Å; P282-T286 VanDerWaalsContact O-N 3.16Å; P282-T286 PolarHBondContact O-OG1 3.33Å; V283-T286 PolarHBondContact O-N 3.07Å; Y284-T286 VanDerWaalsContact C-N 3.34Å; Y284-T286 PolarHBondContact O-N 3.3Å |
| 287 | H | 89.9 | Confident | 90.5 | Very high | 13 Ų | 13 | 13.7 Ų | 13.7 | 6% | 0.06 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -101.6 | -15.2 | -178.8 | -74.2 | -59.5 | 0 | 0 | 0 | 114.1 | E38 M41 T101 V283 Y284 T285 | E38-H287 PolarHBondContact O-NE2 3.46Å; M41-H287 PolarHBondContact O-CE1 2.96Å; T101-H287 HydrophobicContact CG2-CB 4.4Å; V283-H287 PolarHBondContact O-CD2 3.49Å; V283-H287 PolarHBondContact O-N 2.75Å; Y284-H287 PolarHBondContact O-N 3.41Å; Y284-H287 VanDerWaalsContact O-N 3.12Å; T285-H287 VanDerWaalsContact C-N 3.28Å; T285-H287 PolarHBondContact O-N 2.88Å |
| 288 | C | 85.9 | Confident | 90.7 | Very high | 9 Ų | 9 | 11.8 Ų | 11.8 | 6% | 0.061 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -144.3 | 125.3 | 179.8 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | F265 Y284 T285 W382 | F265-C288 HydrophobicContact CE1-CB 3.91Å; Y284-C288 PolarHBondContact O-N 2.9Å; T285-C288 VanDerWaalsContact O-O 3.06Å; C288-W382 HydrophobicContact CB-CH2 3.97Å; C288-W382 HydrophobicContact CB-CZ2 4.47Å |
| 289 | P | 88.8 | Confident | 91.2 | Very high | 5 Ų | 5 | 10 Ų | 10 | 3% | 0.032 | 6% | 0.059 | C | C | . | . | cis | -81.2 | 137.1 | 11.6 | 31.2 | -35.3 | 0 | 0 | 0 | 114.2 | L93 L238 Q240 I244 L268 | L93-P289 HydrophobicContact CB-CB 4.01Å; L93-P289 HydrophobicContact CD2-CB 4.09Å; L93-P289 HydrophobicContact CG-CB 4.45Å; L93-P289 CarbonylContact O-C 2.91Å; L93-P289 VanDerWaalsContact O-CA 3.25Å; L93-P289 WeakPolarHBondContact O-CA 3.36Å; L238-P289 HydrophobicContact CB-CB 4.28Å; L238-P289 HydrophobicContact CB-CG 4.06Å; Q240-P289 VanDerWaalsContact CD-O 3.28Å; Q240-P289 VanDerWaalsContact CG-O 3.32Å; Q240-P289 WeakPolarHBondContact CG-O 3.32Å; Q240-P289 PolarHBondContact NE2-O 2.82Å; I244-P289 HydrophobicContact CD1-CG 4.29Å; L268-P289 HydrophobicContact CD1-CB 4.42Å; L268-P289 HydrophobicContact CD1-CG 4.46Å | ||
| 290 | A | 91.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.008 | 3% | 0.029 | C | C | . | . | trans | -88.7 | -6.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L93 A94 A95 N127 T128 | L93-A290 PolarHBondContact O-N 3.03Å; A94-A290 WeakPolarHBondContact O-CB 3.32Å; A95-A290 HydrophobicContact CB-CB 3.6Å; N127-A290 CarbonylContact C-O 3.6Å; N127-A290 WeakPolarHBondContact CA-O 3.25Å; N127-A290 HydrophobicContact CB-CB 4.27Å; T128-A290 PolarHBondContact N-O 2.87Å; T128-A290 PolarHBondContact OG1-O 2.84Å | ||
| 291 | G | 92 | Very high | 91.6 | Very high | 5 Ų | 5 | 5.1 Ų | 5.1 | 5% | 0.052 | 3% | 0.028 | C | C | . | . | trans | 100.3 | 148.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L238 | L238-G291 WeakPolarHBondContact O-CA 3.37Å; L238-G291 PolarHBondContact O-N 3.14Å | ||
| 292 | T | 96.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 6.4 Ų | 6.4 | 3% | 0.025 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 176 | 172.9 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | L93 D236 F237 N296 M297 | L93-T292 HydrophobicContact CD2-CG2 3.45Å; L93-T292 VanDerWaalsContact CD2-CG2 3.45Å; L93-T292 HydrophobicContact CG-CG2 3.96Å; D236-T292 CarbonylContact C-O 3.43Å; D236-T292 VanDerWaalsContact CA-O 3.31Å; D236-T292 WeakPolarHBondContact CA-O 3.49Å; F237-T292 HydrophobicContact CB-CG2 4Å; F237-T292 HydrophobicContact CD1-CG2 4.22Å; F237-T292 PolarHBondContact N-O 2.84Å; F237-T292 PolarHBondContact O-N 3.13Å; T292-N296 WeakPolarHBondContact OG1-CB 3.37Å; T292-N296 PolarHBondContact OG1-ND2 3.4Å; T292-M297 HydrophobicContact CG2-CG 4.03Å; T292-M297 HydrophobicContact CG2-SD 3.79Å |
| 293 | S | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 153.1 | 168 | 61.1 | 0 | 0 | 0 | 0 | 112.7 | W144 F146 Q295 N296 M297 | W144-S293 WeakPolarHBondContact O-CB 3.27Å; F146-S293 WeakPolarHBondContact CE2-OG 3.46Å; F146-S293 PolarHBondContact O-OG 3.2Å; S293-Q295 PolarHBondContact O-N 3.26Å; S293-N296 WeakPolarHBondContact O-CB 3.33Å; S293-N296 PolarHBondContact O-N 3.47Å; S293-N296 VanDerWaalsContact OG-CB 3.27Å; S293-N296 WeakPolarHBondContact OG-CB 3.11Å; S293-N296 PolarHBondContact OG-N 2.89Å; S293-M297 PolarHBondContact O-N 3.02Å |
| 294 | V | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.9 | -35.1 | 166.7 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | I228 W229 F232 G233 R235 F237 N296 M297 I298 | I228-V294 HydrophobicContact CG2-CG1 4.22Å; W229-V294 HydrophobicContact CE3-CB 4.43Å; W229-V294 HydrophobicContact CE3-CG1 3.8Å; W229-V294 HydrophobicContact CZ3-CB 4.03Å; W229-V294 HydrophobicContact CZ3-CG1 3.82Å; F232-V294 HydrophobicContact CB-CG1 4.15Å; F232-V294 HydrophobicContact CB-CG2 3.88Å; G233-V294 WeakPolarHBondContact O-CG1 3.37Å; R235-V294 WeakPolarHBondContact O-CG2 3.24Å; R235-V294 PolarHBondContact O-N 3.48Å; F237-V294 HydrophobicContact CB-CG2 4.01Å; F237-V294 HydrophobicContact CD2-CG2 4.4Å; V294-N296 VanDerWaalsContact C-N 3.27Å; V294-N296 PolarHBondContact O-N 3.48Å; V294-M297 WeakPolarHBondContact O-CB 3.44Å; V294-M297 PolarHBondContact O-N 3.16Å; V294-I298 HydrophobicContact CG1-CD1 4Å; V294-I298 HydrophobicContact CG1-CG1 4.38Å; V294-I298 WeakPolarHBondContact O-CG1 3.45Å; V294-I298 PolarHBondContact O-N 3.47Å |
| 295 | Q | 97.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 14.4 Ų | 14.4 | 3% | 0.033 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.5 | -40.4 | 175 | -170.1 | 171.6 | -54.7 | 0 | 0 | 111.9 | R145 F146 W229 S293 M297 I298 H299 F312 | R145-Q295 VanDerWaalsContact CA-OE1 3.24Å; F146-Q295 WeakPolarHBondContact O-CB 3.33Å; W229-Q295 HydrophobicContact CH2-CB 3.72Å; W229-Q295 HydrophobicContact CH2-CG 4.15Å; W229-Q295 HydrophobicContact CZ2-CB 4.46Å; W229-Q295 HydrophobicContact CZ2-CG 4.46Å; S293-Q295 PolarHBondContact O-N 3.26Å; Q295-M297 VanDerWaalsContact C-N 3.32Å; Q295-M297 PolarHBondContact O-N 2.87Å; Q295-I298 PolarHBondContact O-N 3.12Å; Q295-H299 PolarHBondContact O-N 3.41Å; Q295-F312 HydrophobicContact CG-CD2 4.15Å; Q295-F312 HydrophobicContact CG-CE1 4.2Å; Q295-F312 HydrophobicContact CG-CE2 3.66Å; Q295-F312 HydrophobicContact CG-CZ 3.7Å; Q295-F312 WeakPolarHBondContact O-CE2 3.45Å |
| 296 | N | 97.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.4 | -37.3 | 176.1 | -166 | 43.4 | 0 | 0 | 0 | 112.3 | F146 S147 Y148 Q179 T292 S293 V294 I298 H299 W300 | F146-N296 PolarHBondContact O-N 2.96Å; S147-N296 WeakPolarHBondContact CA-OD1 3.49Å; Y148-N296 WeakPolarHBondContact CD1-OD1 3.5Å; Y148-N296 PolarHBondContact N-OD1 3.23Å; Q179-N296 PolarHBondContact OE1-ND2 2.95Å; T292-N296 WeakPolarHBondContact OG1-CB 3.37Å; T292-N296 PolarHBondContact OG1-ND2 3.4Å; S293-N296 WeakPolarHBondContact O-CB 3.33Å; S293-N296 PolarHBondContact O-N 3.47Å; S293-N296 VanDerWaalsContact OG-CB 3.27Å; S293-N296 WeakPolarHBondContact OG-CB 3.11Å; S293-N296 PolarHBondContact OG-N 2.89Å; V294-N296 VanDerWaalsContact C-N 3.27Å; V294-N296 PolarHBondContact O-N 3.48Å; N296-I298 VanDerWaalsContact C-N 3.35Å; N296-H299 WeakPolarHBondContact O-CB 3.37Å; N296-H299 PolarHBondContact O-N 3.03Å; N296-W300 VanDerWaalsContact O-CD1 3.26Å; N296-W300 PolarHBondContact O-N 2.75Å |
| 297 | M | 93.2 | Very high | 90.4 | Very high | 8 Ų | 8 | 17.7 Ų | 17.7 | 4% | 0.039 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.7 | -36.9 | 176.1 | -61 | -55.9 | -56.8 | 0 | 0 | 112.2 | L92 M217 L220 F237 T292 S293 V294 Q295 H299 W300 A301 | L92-M297 HydrophobicContact CD1-SD 4.08Å; M217-M297 HydrophobicContact CE-CE 3.46Å; M217-M297 VanDerWaalsContact CE-CE 3.46Å; M217-M297 HydrophobicContact CE-SD 4.48Å; L220-M297 HydrophobicContact CD2-CB 3.83Å; L220-M297 HydrophobicContact CD2-CE 4.12Å; F237-M297 HydrophobicContact CB-CG 3.91Å; F237-M297 HydrophobicContact CD1-CE 4.13Å; F237-M297 HydrophobicContact CD1-CG 3.49Å; F237-M297 VanDerWaalsContact CD1-CG 3.49Å; F237-M297 HydrophobicContact CD1-SD 3.69Å; F237-M297 HydrophobicContact CD2-CG 4.09Å; F237-M297 HydrophobicContact CE1-CE 3.69Å; F237-M297 HydrophobicContact CE1-CG 3.95Å; F237-M297 HydrophobicContact CE1-SD 3.89Å; F237-M297 HydrophobicContact CE2-CG 4.48Å; F237-M297 HydrophobicContact CG-CG 3.56Å; F237-M297 HydrophobicContact CG-SD 4.38Å; F237-M297 HydrophobicContact CZ-CE 4.15Å; F237-M297 HydrophobicContact CZ-CG 4.43Å; T292-M297 HydrophobicContact CG2-CG 4.03Å; T292-M297 HydrophobicContact CG2-SD 3.79Å; S293-M297 PolarHBondContact O-N 3.02Å; V294-M297 WeakPolarHBondContact O-CB 3.44Å; V294-M297 PolarHBondContact O-N 3.16Å; Q295-M297 VanDerWaalsContact C-N 3.32Å; Q295-M297 PolarHBondContact O-N 2.87Å; M297-H299 VanDerWaalsContact C-N 3.32Å; M297-W300 PolarHBondContact O-N 3.49Å; M297-A301 PolarHBondContact O-N 3.21Å |
| 298 | I | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.5 | -38.9 | 172.9 | -67.6 | 171.1 | 0 | 0 | 0 | 110.1 | D225 I228 W229 V294 Q295 N296 W300 A301 Q302 F312 | D225-I298 HydrophobicContact CB-CG2 4.15Å; I228-I298 HydrophobicContact CB-CD1 4.14Å; I228-I298 HydrophobicContact CB-CG1 3.94Å; I228-I298 HydrophobicContact CD1-CG1 4.17Å; I228-I298 HydrophobicContact CG2-CD1 3.91Å; I228-I298 HydrophobicContact CG2-CG1 3.51Å; W229-I298 HydrophobicContact CD2-CD1 3.29Å; W229-I298 HydrophobicContact CE3-CD1 3.72Å; W229-I298 HydrophobicContact CG-CD1 3.77Å; W229-I298 HydrophobicContact CH2-CD1 3.93Å; W229-I298 HydrophobicContact CZ2-CD1 3.48Å; W229-I298 VanDerWaalsContact CZ2-CD1 3.48Å; W229-I298 HydrophobicContact CZ3-CD1 4.01Å; V294-I298 HydrophobicContact CG1-CD1 4Å; V294-I298 HydrophobicContact CG1-CG1 4.38Å; V294-I298 WeakPolarHBondContact O-CG1 3.45Å; V294-I298 PolarHBondContact O-N 3.47Å; Q295-I298 PolarHBondContact O-N 3.12Å; N296-I298 VanDerWaalsContact C-N 3.35Å; I298-W300 VanDerWaalsContact C-N 3.31Å; I298-W300 PolarHBondContact O-N 2.61Å; I298-A301 CarbonylContact O-C 3.57Å; I298-A301 WeakPolarHBondContact O-CA 3.41Å; I298-A301 WeakPolarHBondContact O-CB 3.28Å; I298-A301 PolarHBondContact O-N 3.02Å; I298-Q302 HydrophobicContact CG2-CG 4.4Å; I298-Q302 WeakPolarHBondContact O-CG 3.18Å; I298-Q302 PolarHBondContact O-N 3.27Å; I298-F312 HydrophobicContact CB-CE2 4.06Å; I298-F312 HydrophobicContact CG2-CE2 3.75Å; I298-F312 HydrophobicContact CG2-CZ 3.97Å |
| 299 | H | 95.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 175.3 | -155.9 | 172.5 | 0 | 0 | 0 | 111.8 | S147 Y148 D149 Q295 N296 M297 A301 Q302 A303 M310 A311 F312 | S147-H299 WeakPolarHBondContact CB-ND1 3.45Å; S147-H299 PolarHBondContact OG-ND1 2.7Å; Y148-H299 HydrophobicContact CD1-CB 4.42Å; Y148-H299 AromaticContact CD2-CE1 3.83Å; Y148-H299 AromaticContact CD2-ND1 3.78Å; Y148-H299 HydrophobicContact CE1-CB 3.75Å; Y148-H299 AromaticContact CE1-CG 3.59Å; Y148-H299 AromaticContact CE1-ND1 3.68Å; Y148-H299 AromaticContact CE2-CE1 3.13Å; Y148-H299 WeakPolarHBondContact CE2-CE1 3.4Å; Y148-H299 AromaticContact CE2-CG 3.92Å; Y148-H299 AromaticContact CE2-ND1 3.34Å; Y148-H299 VanDerWaalsContact CE2-ND1 3.34Å; Y148-H299 WeakPolarHBondContact CE2-ND1 3.11Å; Y148-H299 AromaticContact CE2-NE2 3.63Å; Y148-H299 AromaticContact CZ-CD2 3.53Å; Y148-H299 AromaticContact CZ-CE1 3.38Å; Y148-H299 AromaticContact CZ-CG 3.35Å; Y148-H299 AromaticContact CZ-ND1 3.29Å; Y148-H299 VanDerWaalsContact CZ-ND1 3.29Å; Y148-H299 AromaticContact CZ-NE2 3.54Å; Y148-H299 PolarHBondContact OH-CD2 2.94Å; Y148-H299 PolarHBondContact OH-NE2 3.47Å; D149-H299 IonicContact OD1-CE1 2.88Å; D149-H299 PolarHBondContact OD1-CE1 2.86Å; D149-H299 VanDerWaalsContact OD1-CE1 3.26Å; D149-H299 IonicContact OD1-ND1 3.48Å; D149-H299 IonicContact OD2-CE1 3.86Å; D149-H299 PolarHBondContact OD2-CE1 3.22Å; Q295-H299 PolarHBondContact O-N 3.41Å; N296-H299 WeakPolarHBondContact O-CB 3.37Å; N296-H299 PolarHBondContact O-N 3.03Å; M297-H299 VanDerWaalsContact C-N 3.32Å; H299-A301 VanDerWaalsContact C-N 3.34Å; H299-A301 PolarHBondContact O-N 3.21Å; H299-Q302 PolarHBondContact O-N 2.89Å; H299-A303 PolarHBondContact O-N 2.7Å; H299-M310 PolarHBondContact NE2-O 3.18Å; H299-A311 VanDerWaalsContact CE1-C 3.49Å; H299-A311 PolarHBondContact NE2-O 3.37Å; H299-F312 HydrophobicContact CB-CD2 3.6Å; H299-F312 HydrophobicContact CB-CE2 4.18Å; H299-F312 PolarHBondContact CE1-N 2.92Å; H299-F312 AromaticContact CG-CD2 3.67Å; H299-F312 WeakPolarHBondContact NE2-CA 3.44Å; H299-F312 PolarHBondContact NE2-N 3.45Å; H299-F312 VanDerWaalsContact NE2-N 3.14Å |
| 300 | W | 92.9 | Very high | 91.2 | Very high | 25 Ų | 25 | 23.9 Ų | 23.9 | 10% | 0.095 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.6 | -38 | 172.7 | -78.1 | 114.9 | 0 | 0 | 0 | 112.9 | L92 Y148 Q179 T182 V207 V210 N296 M297 I298 Q302 A303 V304 | L92-W300 HydrophobicContact CD2-CG 4.35Å; Y148-W300 HydrophobicContact CD1-CD2 4.3Å; Y148-W300 AromaticContact CD1-CE2 3.66Å; Y148-W300 AromaticContact CD1-CZ2 3.92Å; Y148-W300 HydrophobicContact CD1-CZ2 3.92Å; Y148-W300 AromaticContact CD1-NE1 3.54Å; Y148-W300 AromaticContact CE1-CD1 3.97Å; Y148-W300 AromaticContact CE1-CD2 3.71Å; Y148-W300 HydrophobicContact CE1-CD2 3.71Å; Y148-W300 AromaticContact CE1-CE2 3.53Å; Y148-W300 HydrophobicContact CE1-CE3 4.24Å; Y148-W300 HydrophobicContact CE1-CG 4.02Å; Y148-W300 HydrophobicContact CE1-CH2 4.42Å; Y148-W300 AromaticContact CE1-CZ2 3.94Å; Y148-W300 HydrophobicContact CE1-CZ2 3.94Å; Y148-W300 AromaticContact CE1-NE1 3.69Å; Q179-W300 HydrophobicContact CB-CZ2 3.98Å; Q179-W300 HydrophobicContact CG-CZ2 3.9Å; T182-W300 HydrophobicContact CG2-CH2 4.16Å; V207-W300 HydrophobicContact CB-CH2 4.28Å; V207-W300 HydrophobicContact CG1-CH2 3.52Å; V207-W300 HydrophobicContact CG1-CZ3 3.63Å; V210-W300 HydrophobicContact CG1-CE3 4.24Å; V210-W300 HydrophobicContact CG1-CZ3 3.83Å; V210-W300 HydrophobicContact CG2-CE3 4.13Å; V210-W300 HydrophobicContact CG2-CZ3 4.24Å; N296-W300 VanDerWaalsContact O-CD1 3.26Å; N296-W300 PolarHBondContact O-N 2.75Å; M297-W300 PolarHBondContact O-N 3.49Å; I298-W300 VanDerWaalsContact C-N 3.31Å; I298-W300 PolarHBondContact O-N 2.61Å; W300-Q302 VanDerWaalsContact C-N 3.34Å; W300-Q302 PolarHBondContact O-N 3.11Å; W300-A303 HydrophobicContact CE3-CB 4.29Å; W300-A303 PolarHBondContact O-N 2.75Å; W300-V304 WeakPolarHBondContact O-CG2 3.42Å; W300-V304 PolarHBondContact O-N 3.12Å |
| 301 | A | 90.8 | Very high | 91.5 | Very high | 4 Ų | 4 | 24 Ų | 24 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S221 I228 M297 I298 H299 V304 H305 | S221-A301 WeakPolarHBondContact CB-O 3.49Å; I228-A301 HydrophobicContact CD1-CB 3.93Å; M297-A301 PolarHBondContact O-N 3.21Å; I298-A301 CarbonylContact O-C 3.57Å; I298-A301 WeakPolarHBondContact O-CA 3.41Å; I298-A301 WeakPolarHBondContact O-CB 3.28Å; I298-A301 PolarHBondContact O-N 3.02Å; H299-A301 VanDerWaalsContact C-N 3.34Å; H299-A301 PolarHBondContact O-N 3.21Å; A301-V304 PolarHBondContact O-N 2.93Å; A301-H305 PolarHBondContact O-CD2 2.99Å; A301-H305 VanDerWaalsContact O-CD2 3.32Å |
| 302 | Q | 92.4 | Very high | 91.7 | Very high | 28 Ų | 28 | 24.1 Ų | 24.1 | 13% | 0.131 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 174.7 | -68.4 | 171.1 | -9.4 | 0 | 0 | 111.6 | D225 I298 H299 W300 V304 H305 G306 D313 | D225-Q302 PolarHBondContact OD2-NE2 3.03Å; I298-Q302 HydrophobicContact CG2-CG 4.4Å; I298-Q302 WeakPolarHBondContact O-CG 3.18Å; I298-Q302 PolarHBondContact O-N 3.27Å; H299-Q302 PolarHBondContact O-N 2.89Å; W300-Q302 VanDerWaalsContact C-N 3.34Å; W300-Q302 PolarHBondContact O-N 3.11Å; Q302-V304 VanDerWaalsContact C-N 3.3Å; Q302-V304 PolarHBondContact O-N 3.36Å; Q302-H305 PolarHBondContact O-N 2.85Å; Q302-H305 VanDerWaalsContact O-N 3.15Å; Q302-G306 PolarHBondContact O-N 3.43Å; Q302-G306 VanDerWaalsContact O-N 3.13Å; Q302-D313 PolarHBondContact NE2-O 3.09Å |
| 303 | A | 90.9 | Very high | 91.7 | Very high | 12 Ų | 12 | 26.9 Ų | 26.9 | 10% | 0.099 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -33.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V210 H299 W300 H305 G306 | V210-A303 HydrophobicContact CG2-CB 3.74Å; H299-A303 PolarHBondContact O-N 2.7Å; W300-A303 HydrophobicContact CE3-CB 4.29Å; W300-A303 PolarHBondContact O-N 2.75Å; A303-H305 VanDerWaalsContact C-N 3.26Å; A303-H305 PolarHBondContact O-N 2.81Å; A303-G306 PolarHBondContact O-N 2.83Å |
| 304 | V | 86.3 | Confident | 91.7 | Very high | 33 Ų | 33 | 29.3 Ų | 29.3 | 20% | 0.2 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.5 | -36.4 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | V210 T218 S221 W300 A301 Q302 | V210-V304 HydrophobicContact CB-CG2 4.43Å; V210-V304 HydrophobicContact CG2-CG2 3.83Å; T218-V304 HydrophobicContact CG2-CG2 3.74Å; S221-V304 VanDerWaalsContact OG-CG1 3.32Å; S221-V304 WeakPolarHBondContact OG-CG1 3.38Å; W300-V304 WeakPolarHBondContact O-CG2 3.42Å; W300-V304 PolarHBondContact O-N 3.12Å; A301-V304 PolarHBondContact O-N 2.93Å; Q302-V304 VanDerWaalsContact C-N 3.3Å; Q302-V304 PolarHBondContact O-N 3.36Å |
| 305 | H | 76.5 | Confident | 91.6 | Very high | 132 Ų | 132 | 30.5 Ų | 30.5 | 61% | 0.611 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -85.5 | -25.7 | 179.9 | -62.5 | -59.9 | 0 | 0 | 0 | 113.4 | S221 A301 Q302 A303 | S221-H305 PolarHBondContact O-CE1 2.6Å; S221-H305 PolarHBondContact O-NE2 2.69Å; A301-H305 PolarHBondContact O-CD2 2.99Å; A301-H305 VanDerWaalsContact O-CD2 3.32Å; Q302-H305 PolarHBondContact O-N 2.85Å; Q302-H305 VanDerWaalsContact O-N 3.15Å; A303-H305 VanDerWaalsContact C-N 3.26Å; A303-H305 PolarHBondContact O-N 2.81Å |
| 306 | G | 73.4 | Confident | 91.5 | Very high | 41 Ų | 41 | 34.7 Ų | 34.7 | 42% | 0.423 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -79.2 | -26.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q302 A303 K308 | Q302-G306 PolarHBondContact O-N 3.43Å; Q302-G306 VanDerWaalsContact O-N 3.13Å; A303-G306 PolarHBondContact O-N 2.83Å; G306-K308 PolarHBondContact O-N 3.27Å |
| 307 | G | 78.8 | Confident | 91.5 | Very high | 41 Ų | 41 | 42.2 Ų | 42.2 | 42% | 0.423 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 58.4 | 14.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 308 | K | 89.5 | Confident | 91.7 | Very high | 101 Ų | 101 | 42 Ų | 42 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -144.5 | 151.9 | -174.5 | -69.5 | -179.5 | 167.4 | -155.2 | 0 | 108.6 | G306 M310 E330 | G306-K308 PolarHBondContact O-N 3.27Å; K308-M310 HydrophobicContact CB-CG 3.92Å; K308-M310 HydrophobicContact CB-SD 3.77Å; K308-M310 HydrophobicContact CD-SD 4.07Å; K308-M310 PolarHBondContact O-N 3.15Å; K308-E330 WeakPolarHBondContact CD-OE2 3.27Å; K308-E330 IonicContact NZ-OE2 2.72Å; K308-E330 PolarHBondContact NZ-OE2 2.96Å |
| 309 | L | 94.7 | Very high | 91.8 | Very high | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | trans | -78.7 | 105.3 | 169.6 | -172.7 | 60.2 | 0 | 0 | 0 | 108.3 | T182 F185 I186 A208 F331 V333 | T182-L309 HydrophobicContact CG2-CD1 3.65Å; F185-L309 HydrophobicContact CB-CD2 4.23Å; I186-L309 HydrophobicContact CD1-CD1 4.33Å; I186-L309 HydrophobicContact CG1-CD1 4.38Å; I186-L309 HydrophobicContact CG1-CD2 3.91Å; I186-L309 HydrophobicContact CG1-CG 4.3Å; A208-L309 WeakPolarHBondContact O-CB 3.3Å; A208-L309 WeakPolarHBondContact O-CD1 3.36Å; L309-F331 HydrophobicContact CB-CB 4.45Å; L309-F331 HydrophobicContact CD2-CB 3.92Å; L309-F331 HydrophobicContact CG-CB 3.92Å; L309-F331 HydrophobicContact CG-CD2 4.2Å; L309-F331 PolarHBondContact O-N 3.27Å; L309-V333 HydrophobicContact CD2-CG2 4.3Å | ||
| 310 | M | 96.1 | Very high | 91.9 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -117.5 | 159.5 | -177 | -57 | -62.6 | -63.3 | 0 | 0 | 109.6 | H299 K308 P328 E330 | H299-M310 PolarHBondContact NE2-O 3.18Å; K308-M310 HydrophobicContact CB-CG 3.92Å; K308-M310 HydrophobicContact CB-SD 3.77Å; K308-M310 HydrophobicContact CD-SD 4.07Å; K308-M310 PolarHBondContact O-N 3.15Å; M310-P328 HydrophobicContact CE-CG 4.16Å; M310-P328 WeakPolarHBondContact CE-O 3.43Å; M310-E330 HydrophobicContact CE-CB 4.04Å; M310-E330 HydrophobicContact SD-CB 3.57Å; M310-E330 VanDerWaalsContact SD-CB 3.57Å; M310-E330 HydrophobicContact SD-CG 3.78Å |
| 311 | A | 97.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | trans | -73.4 | 167.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D149 H299 D313 Y323 P328 P329 F331 | D149-A311 WeakPolarHBondContact OD2-CA 3.37Å; D149-A311 WeakPolarHBondContact OD2-CB 3.33Å; H299-A311 VanDerWaalsContact CE1-C 3.49Å; H299-A311 PolarHBondContact NE2-O 3.37Å; A311-D313 PolarHBondContact O-N 3.31Å; A311-Y323 HydrophobicContact CB-CE1 4.16Å; A311-Y323 HydrophobicContact CB-CE2 4.34Å; A311-Y323 WeakPolarHBondContact CB-OH 3.48Å; A311-P328 HydrophobicContact CB-CB 4.21Å; A311-P328 WeakPolarHBondContact O-CB 3.49Å; A311-P329 HydrophobicContact CB-CG 3.82Å; A311-P329 PolarHBondContact N-O 3.06Å; A311-F331 HydrophobicContact CB-CE2 3.74Å; A311-F331 HydrophobicContact CB-CZ 3.79Å | ||
| 312 | F | 97.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | trans | -62.2 | 129.6 | -175.7 | -176.4 | -94.8 | 0 | 0 | 0 | 112 | D149 W229 Q295 I298 H299 F314 Y323 | D149-F312 PolarHBondContact OD2-N 3.08Å; W229-F312 HydrophobicContact CZ2-CZ 4.43Å; Q295-F312 HydrophobicContact CG-CD2 4.15Å; Q295-F312 HydrophobicContact CG-CE1 4.2Å; Q295-F312 HydrophobicContact CG-CE2 3.66Å; Q295-F312 HydrophobicContact CG-CZ 3.7Å; Q295-F312 WeakPolarHBondContact O-CE2 3.45Å; I298-F312 HydrophobicContact CB-CE2 4.06Å; I298-F312 HydrophobicContact CG2-CE2 3.75Å; I298-F312 HydrophobicContact CG2-CZ 3.97Å; H299-F312 HydrophobicContact CB-CD2 3.6Å; H299-F312 HydrophobicContact CB-CE2 4.18Å; H299-F312 PolarHBondContact CE1-N 2.92Å; H299-F312 AromaticContact CG-CD2 3.67Å; H299-F312 WeakPolarHBondContact NE2-CA 3.44Å; H299-F312 PolarHBondContact NE2-N 3.45Å; H299-F312 VanDerWaalsContact NE2-N 3.14Å; F312-F314 HydrophobicContact CB-CE2 4.21Å; F312-F314 HydrophobicContact CB-CZ 4.45Å; F312-F314 AromaticContact CD1-CD1 3.54Å; F312-F314 HydrophobicContact CD1-CD1 3.54Å; F312-F314 AromaticContact CD1-CD2 3.72Å; F312-F314 HydrophobicContact CD1-CD2 3.72Å; F312-F314 AromaticContact CD1-CE1 3.49Å; F312-F314 HydrophobicContact CD1-CE1 3.49Å; F312-F314 VanDerWaalsContact CD1-CE1 3.49Å; F312-F314 AromaticContact CD1-CE2 3.68Å; F312-F314 HydrophobicContact CD1-CE2 3.68Å; F312-F314 AromaticContact CD1-CG 3.66Å; F312-F314 HydrophobicContact CD1-CG 3.66Å; F312-F314 AromaticContact CD1-CZ 3.56Å; F312-F314 HydrophobicContact CD1-CZ 3.56Å; F312-F314 AromaticContact CE1-CD1 3.56Å; F312-F314 HydrophobicContact CE1-CD1 3.56Å; F312-F314 HydrophobicContact CE1-CD2 4.49Å; F312-F314 AromaticContact CE1-CE1 3.71Å; F312-F314 HydrophobicContact CE1-CE1 3.71Å; F312-F314 AromaticContact CE1-CG 3.97Å; F312-F314 HydrophobicContact CE1-CG 3.97Å; F312-F314 HydrophobicContact CE1-CZ 4.26Å; F312-F314 HydrophobicContact CG-CE2 4.4Å; F312-F314 HydrophobicContact CG-CZ 4.35Å; F312-F314 WeakPolarHBondContact O-CD2 2.86Å; F312-F314 PolarHBondContact O-N 2.9Å; F312-Y323 PolarHBondContact N-OH 2.96Å; F312-Y323 VanDerWaalsContact O-CE2 3.25Å; F312-Y323 WeakPolarHBondContact O-CE2 3.29Å; F312-Y323 PolarHBondContact O-OH 3.27Å | ||
| 313 | D | 96.8 | Very high | 92.5 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 33% | 0.332 | 31% | 0.314 | S | S | . | . | trans | -83.1 | 108.6 | 175.4 | -166.6 | -9.8 | 0 | 0 | 0 | 110.5 | Q302 A311 G315 N319 P328 | Q302-D313 PolarHBondContact NE2-O 3.09Å; A311-D313 PolarHBondContact O-N 3.31Å; D313-G315 VanDerWaalsContact C-N 3.26Å; D313-G315 VanDerWaalsContact OD1-CA 3.32Å; D313-G315 WeakPolarHBondContact OD1-CA 3.17Å; D313-G315 PolarHBondContact OD1-N 3.2Å; D313-N319 PolarHBondContact OD1-ND2 3.41Å; D313-N319 PolarHBondContact OD1-OD1 3.07Å; D313-P328 HydrophobicContact CB-CG 4.08Å | ||
| 314 | F | 95.9 | Very high | 92.8 | Very high | 51 Ų | 51 | 66.1 Ų | 66.1 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | trans | -86.6 | 7.2 | 174.3 | -65.7 | -83.8 | 0 | 0 | 0 | 113.1 | F312 N319 H322 Y323 | F312-F314 HydrophobicContact CB-CE2 4.21Å; F312-F314 HydrophobicContact CB-CZ 4.45Å; F312-F314 AromaticContact CD1-CD1 3.54Å; F312-F314 HydrophobicContact CD1-CD1 3.54Å; F312-F314 AromaticContact CD1-CD2 3.72Å; F312-F314 HydrophobicContact CD1-CD2 3.72Å; F312-F314 AromaticContact CD1-CE1 3.49Å; F312-F314 HydrophobicContact CD1-CE1 3.49Å; F312-F314 VanDerWaalsContact CD1-CE1 3.49Å; F312-F314 AromaticContact CD1-CE2 3.68Å; F312-F314 HydrophobicContact CD1-CE2 3.68Å; F312-F314 AromaticContact CD1-CG 3.66Å; F312-F314 HydrophobicContact CD1-CG 3.66Å; F312-F314 AromaticContact CD1-CZ 3.56Å; F312-F314 HydrophobicContact CD1-CZ 3.56Å; F312-F314 AromaticContact CE1-CD1 3.56Å; F312-F314 HydrophobicContact CE1-CD1 3.56Å; F312-F314 HydrophobicContact CE1-CD2 4.49Å; F312-F314 AromaticContact CE1-CE1 3.71Å; F312-F314 HydrophobicContact CE1-CE1 3.71Å; F312-F314 AromaticContact CE1-CG 3.97Å; F312-F314 HydrophobicContact CE1-CG 3.97Å; F312-F314 HydrophobicContact CE1-CZ 4.26Å; F312-F314 HydrophobicContact CG-CE2 4.4Å; F312-F314 HydrophobicContact CG-CZ 4.35Å; F312-F314 WeakPolarHBondContact O-CD2 2.86Å; F312-F314 PolarHBondContact O-N 2.9Å; F314-N319 PolarHBondContact N-OD1 3.25Å; F314-H322 AromaticContact CD1-CE1 3.75Å; F314-H322 HydrophobicContact CD2-CB 4.05Å; F314-H322 AromaticContact CD2-CG 3.7Å; F314-H322 AromaticContact CD2-ND1 3.57Å; F314-H322 AromaticContact CE1-CE1 3.83Å; F314-H322 AromaticContact CE1-NE2 3.84Å; F314-H322 HydrophobicContact CE2-CB 3.99Å; F314-H322 AromaticContact CE2-CD2 3.7Å; F314-H322 AromaticContact CE2-CG 3.57Å; F314-H322 AromaticContact CE2-ND1 3.83Å; F314-H322 AromaticContact CG-CE1 3.85Å; F314-H322 AromaticContact CG-ND1 3.7Å; F314-H322 AromaticContact CZ-CD2 3.75Å; F314-H322 AromaticContact CZ-CE1 3.99Å; F314-H322 AromaticContact CZ-NE2 3.74Å; F314-Y323 AromaticContact CD2-CE2 3.96Å; F314-Y323 HydrophobicContact CD2-CE2 3.96Å; F314-Y323 HydrophobicContact CE2-CE2 4.23Å; F314-Y323 AromaticContact CE2-CZ 3.86Å; F314-Y323 WeakPolarHBondContact CE2-OH 3.44Å | ||
| 315 | G | 95.3 | Very high | 93.3 | Very high | 25 Ų | 25 | 68.4 Ų | 68.4 | 26% | 0.258 | 36% | 0.356 | S | S | . | . | trans | 75.7 | 167.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D313 E317 G318 N319 | D313-G315 VanDerWaalsContact C-N 3.26Å; D313-G315 VanDerWaalsContact OD1-CA 3.32Å; D313-G315 WeakPolarHBondContact OD1-CA 3.17Å; D313-G315 PolarHBondContact OD1-N 3.2Å; G315-E317 PolarHBondContact O-N 3.5Å; G315-G318 CarbonylContact O-C 3.55Å; G315-G318 WeakPolarHBondContact O-CA 3.43Å; G315-G318 PolarHBondContact O-N 2.97Å; G315-N319 WeakPolarHBondContact O-CB 3.43Å; G315-N319 VanDerWaalsContact O-CG 3.23Å; G315-N319 PolarHBondContact O-N 3.34Å; G315-N319 PolarHBondContact O-ND2 3.13Å | ||
| 316 | P | 96.3 | Very high | 94.3 | Very high | 95 Ų | 95 | 65.6 Ų | 65.6 | 62% | 0.617 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -54.4 | -45 | -167.9 | -29.3 | 35.4 | 0 | 0 | 0 | 115.7 | L320 S326 | P316-L320 PolarHBondContact O-N 3.15Å; P316-L320 VanDerWaalsContact O-N 3.11Å; P316-S326 WeakPolarHBondContact CA-O 3.47Å |
| 317 | E | 96.8 | Very high | 95.4 | Very high | 157 Ų | 157 | 67.5 Ų | 67.5 | 73% | 0.734 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -74.8 | -31.2 | 177.9 | -64.5 | -177.1 | 176.8 | 0 | 0 | 112.8 | G315 R321 | G315-E317 PolarHBondContact O-N 3.5Å; E317-R321 WeakPolarHBondContact O-CG 3.44Å; E317-R321 PolarHBondContact O-N 2.96Å; E317-R321 PolarHBondContact O-NE 3.26Å |
| 318 | G | 96.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 66.4 Ų | 66.4 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | G315 L320 R321 H322 | G315-G318 CarbonylContact O-C 3.55Å; G315-G318 WeakPolarHBondContact O-CA 3.43Å; G315-G318 PolarHBondContact O-N 2.97Å; G318-L320 VanDerWaalsContact C-N 3.32Å; G318-L320 PolarHBondContact O-N 2.91Å; G318-R321 WeakPolarHBondContact O-CB 3.3Å; G318-R321 PolarHBondContact O-N 2.83Å; G318-R321 VanDerWaalsContact O-N 3.11Å; G318-H322 PolarHBondContact O-N 2.93Å; G318-H322 PolarHBondContact O-ND1 3.24Å |
| 319 | N | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 177 | -65.6 | -23.5 | 0 | 0 | 0 | 111.1 | D313 F314 G315 R321 H322 Y323 Q325 S326 | D313-N319 PolarHBondContact OD1-ND2 3.41Å; D313-N319 PolarHBondContact OD1-OD1 3.07Å; F314-N319 PolarHBondContact N-OD1 3.25Å; G315-N319 WeakPolarHBondContact O-CB 3.43Å; G315-N319 VanDerWaalsContact O-CG 3.23Å; G315-N319 PolarHBondContact O-N 3.34Å; G315-N319 PolarHBondContact O-ND2 3.13Å; N319-R321 PolarHBondContact O-N 3.41Å; N319-H322 PolarHBondContact O-N 3.38Å; N319-Y323 HydrophobicContact CB-CD2 4.05Å; N319-Y323 WeakPolarHBondContact O-CA 3.49Å; N319-Y323 WeakPolarHBondContact O-CB 3.32Å; N319-Y323 PolarHBondContact O-N 3.08Å; N319-Q325 CarbonylContact C-O 3.56Å; N319-Q325 WeakPolarHBondContact CB-O 3.46Å; N319-Q325 VanDerWaalsContact O-O 3.1Å; N319-S326 PolarHBondContact ND2-O 3.3Å |
| 320 | L | 97.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 66.7 Ų | 66.7 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 177.4 | -169.7 | 66.6 | 0 | 0 | 0 | 111.6 | P316 G318 N324 Q325 | P316-L320 PolarHBondContact O-N 3.15Å; P316-L320 VanDerWaalsContact O-N 3.11Å; G318-L320 VanDerWaalsContact C-N 3.32Å; G318-L320 PolarHBondContact O-N 2.91Å; L320-N324 WeakPolarHBondContact O-CA 3.27Å; L320-N324 PolarHBondContact O-N 3.38Å; L320-Q325 WeakPolarHBondContact CA-O 3.35Å; L320-Q325 PolarHBondContact N-O 3.49Å |
| 321 | R | 96.7 | Very high | 96.7 | Very high | 188 Ų | 188 | 65.4 Ų | 65.4 | 71% | 0.709 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -74.2 | -33.8 | 176.9 | -73.2 | -177.4 | -73.2 | 164.6 | -4.4 | 113.8 | E317 G318 N319 | E317-R321 WeakPolarHBondContact O-CG 3.44Å; E317-R321 PolarHBondContact O-N 2.96Å; E317-R321 PolarHBondContact O-NE 3.26Å; G318-R321 WeakPolarHBondContact O-CB 3.3Å; G318-R321 PolarHBondContact O-N 2.83Å; G318-R321 VanDerWaalsContact O-N 3.11Å; N319-R321 PolarHBondContact O-N 3.41Å |
| 322 | H | 95.8 | Very high | 96.7 | Very high | 88 Ų | 88 | 70.9 Ų | 70.9 | 41% | 0.407 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -92.2 | -36.3 | -176.2 | -67.9 | 85.8 | 0 | 0 | 0 | 113 | F314 G318 N319 | F314-H322 AromaticContact CD1-CE1 3.75Å; F314-H322 HydrophobicContact CD2-CB 4.05Å; F314-H322 AromaticContact CD2-CG 3.7Å; F314-H322 AromaticContact CD2-ND1 3.57Å; F314-H322 AromaticContact CE1-CE1 3.83Å; F314-H322 AromaticContact CE1-NE2 3.84Å; F314-H322 HydrophobicContact CE2-CB 3.99Å; F314-H322 AromaticContact CE2-CD2 3.7Å; F314-H322 AromaticContact CE2-CG 3.57Å; F314-H322 AromaticContact CE2-ND1 3.83Å; F314-H322 AromaticContact CG-CE1 3.85Å; F314-H322 AromaticContact CG-ND1 3.7Å; F314-H322 AromaticContact CZ-CD2 3.75Å; F314-H322 AromaticContact CZ-CE1 3.99Å; F314-H322 AromaticContact CZ-NE2 3.74Å; G318-H322 PolarHBondContact O-N 2.93Å; G318-H322 PolarHBondContact O-ND1 3.24Å; N319-H322 PolarHBondContact O-N 3.38Å |
| 323 | Y | 96.4 | Very high | 96.7 | Very high | 53 Ų | 53 | 70.5 Ų | 70.5 | 21% | 0.208 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -121.2 | -4.2 | -168.6 | -49.5 | -49.2 | 0 | 0 | 0 | 113.9 | D149 A311 F312 F314 N319 Q325 P328 P329 | D149-Y323 PolarHBondContact OD2-OH 3.45Å; A311-Y323 HydrophobicContact CB-CE1 4.16Å; A311-Y323 HydrophobicContact CB-CE2 4.34Å; A311-Y323 WeakPolarHBondContact CB-OH 3.48Å; F312-Y323 PolarHBondContact N-OH 2.96Å; F312-Y323 VanDerWaalsContact O-CE2 3.25Å; F312-Y323 WeakPolarHBondContact O-CE2 3.29Å; F312-Y323 PolarHBondContact O-OH 3.27Å; F314-Y323 AromaticContact CD2-CE2 3.96Å; F314-Y323 HydrophobicContact CD2-CE2 3.96Å; F314-Y323 HydrophobicContact CE2-CE2 4.23Å; F314-Y323 AromaticContact CE2-CZ 3.86Å; F314-Y323 WeakPolarHBondContact CE2-OH 3.44Å; N319-Y323 HydrophobicContact CB-CD2 4.05Å; N319-Y323 WeakPolarHBondContact O-CA 3.49Å; N319-Y323 WeakPolarHBondContact O-CB 3.32Å; N319-Y323 PolarHBondContact O-N 3.08Å; Y323-Q325 PolarHBondContact O-N 3.31Å; Y323-P328 HydrophobicContact CE2-CB 4.12Å; Y323-P329 HydrophobicContact CD1-CG 4.2Å; Y323-P329 HydrophobicContact CG-CG 4.24Å |
| 324 | N | 96.9 | Very high | 96.7 | Very high | 148 Ų | 148 | 70.3 Ų | 70.3 | 79% | 0.791 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 57.8 | 24 | -171.2 | -61.8 | -38.2 | 0 | 0 | 0 | 114.1 | L320 | L320-N324 WeakPolarHBondContact O-CA 3.27Å; L320-N324 PolarHBondContact O-N 3.38Å |
| 325 | Q | 97.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 71.3 Ų | 71.3 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -145.2 | 156.9 | 174.7 | 49.8 | 175.2 | 76.8 | 0 | 0 | 110.1 | N319 L320 Y323 T327 | N319-Q325 CarbonylContact C-O 3.56Å; N319-Q325 WeakPolarHBondContact CB-O 3.46Å; N319-Q325 VanDerWaalsContact O-O 3.1Å; L320-Q325 WeakPolarHBondContact CA-O 3.35Å; L320-Q325 PolarHBondContact N-O 3.49Å; Y323-Q325 PolarHBondContact O-N 3.31Å; Q325-T327 VanDerWaalsContact C-N 3.35Å; Q325-T327 VanDerWaalsContact CG-O 3.29Å; Q325-T327 WeakPolarHBondContact CG-O 3.35Å; Q325-T327 PolarHBondContact NE2-O 3.48Å; Q325-T327 PolarHBondContact O-N 2.87Å |
| 326 | S | 96.8 | Very high | 96.9 | Very high | 73 Ų | 73 | 70.1 Ų | 70.1 | 51% | 0.51 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -79.2 | -13.9 | -174.3 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | P316 N319 | P316-S326 WeakPolarHBondContact CA-O 3.47Å; N319-S326 PolarHBondContact ND2-O 3.3Å |
| 327 | T | 96.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 71.8 Ų | 71.8 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -118.3 | 153.1 | 176.5 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | Q325 | Q325-T327 VanDerWaalsContact C-N 3.35Å; Q325-T327 VanDerWaalsContact CG-O 3.29Å; Q325-T327 WeakPolarHBondContact CG-O 3.35Å; Q325-T327 PolarHBondContact NE2-O 3.48Å; Q325-T327 PolarHBondContact O-N 2.87Å |
| 328 | P | 96.8 | Very high | 97 | Very high | 17 Ų | 17 | 64.5 Ų | 64.5 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 145.7 | 173.2 | 26.7 | -34.4 | 0 | 0 | 0 | 111.3 | M310 A311 D313 Y323 | M310-P328 HydrophobicContact CE-CG 4.16Å; M310-P328 WeakPolarHBondContact CE-O 3.43Å; A311-P328 HydrophobicContact CB-CB 4.21Å; A311-P328 WeakPolarHBondContact O-CB 3.49Å; D313-P328 HydrophobicContact CB-CG 4.08Å; Y323-P328 HydrophobicContact CE2-CB 4.12Å |
| 329 | P | 96.9 | Very high | 97.1 | Very high | 38 Ų | 38 | 65.9 Ų | 65.9 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -68 | 152.3 | 171.5 | 27.7 | -35.3 | 0 | 0 | 0 | 112.1 | A311 Y323 | A311-P329 HydrophobicContact CB-CG 3.82Å; A311-P329 PolarHBondContact N-O 3.06Å; Y323-P329 HydrophobicContact CD1-CG 4.2Å; Y323-P329 HydrophobicContact CG-CG 4.24Å |
| 330 | E | 96.6 | Very high | 97.1 | Very high | 81 Ų | 81 | 65.8 Ų | 65.8 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -89.4 | 134.5 | 173.5 | -176.1 | 178.2 | 149 | 0 | 0 | 110 | K308 M310 R332 | K308-E330 WeakPolarHBondContact CD-OE2 3.27Å; K308-E330 IonicContact NZ-OE2 2.72Å; K308-E330 PolarHBondContact NZ-OE2 2.96Å; M310-E330 HydrophobicContact CE-CB 4.04Å; M310-E330 HydrophobicContact SD-CB 3.57Å; M310-E330 VanDerWaalsContact SD-CB 3.57Å; M310-E330 HydrophobicContact SD-CG 3.78Å; E330-R332 HydrophobicContact CG-CG 4.37Å |
| 331 | F | 97.2 | Very high | 97.2 | Very high | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 118.9 | 169.7 | -59.7 | -61.1 | 0 | 0 | 0 | 110 | D149 I186 T190 L309 A311 | D149-F331 VanDerWaalsContact OD1-CE2 3.3Å; D149-F331 WeakPolarHBondContact OD1-CE2 3.44Å; I186-F331 HydrophobicContact CB-CD2 4.47Å; I186-F331 HydrophobicContact CB-CG 4.44Å; I186-F331 HydrophobicContact CD1-CD2 3.89Å; I186-F331 HydrophobicContact CD1-CE2 3.9Å; I186-F331 HydrophobicContact CG1-CB 4.27Å; I186-F331 HydrophobicContact CG1-CD2 3.67Å; I186-F331 HydrophobicContact CG1-CE2 4.08Å; I186-F331 HydrophobicContact CG1-CG 3.96Å; I186-F331 HydrophobicContact CG2-CD1 3.87Å; I186-F331 HydrophobicContact CG2-CD2 4.1Å; I186-F331 HydrophobicContact CG2-CE1 3.72Å; I186-F331 HydrophobicContact CG2-CE2 3.94Å; I186-F331 HydrophobicContact CG2-CG 4.05Å; I186-F331 HydrophobicContact CG2-CZ 3.74Å; T190-F331 HydrophobicContact CG2-CD1 3.55Å; T190-F331 HydrophobicContact CG2-CE1 3.93Å; L309-F331 HydrophobicContact CB-CB 4.45Å; L309-F331 HydrophobicContact CD2-CB 3.92Å; L309-F331 HydrophobicContact CG-CB 3.92Å; L309-F331 HydrophobicContact CG-CD2 4.2Å; L309-F331 PolarHBondContact O-N 3.27Å; A311-F331 HydrophobicContact CB-CE2 3.74Å; A311-F331 HydrophobicContact CB-CZ 3.79Å |
| 332 | R | 96.9 | Very high | 97.3 | Very high | 118 Ų | 118 | 52 Ų | 52 | 45% | 0.445 | 26% | 0.263 | S | S | . | . | trans | -98.8 | 106 | -171.9 | -63.5 | -178.5 | 68.8 | -140.1 | 3 | 110.7 | S189 E330 Q334 D335 | S189-R332 WeakPolarHBondContact CB-O 3.39Å; E330-R332 HydrophobicContact CG-CG 4.37Å; R332-Q334 PolarHBondContact O-N 2.98Å; R332-Q334 VanDerWaalsContact O-N 3.08Å; R332-D335 HydrophobicContact CB-CB 4.44Å; R332-D335 WeakPolarHBondContact CB-OD2 3.25Å; R332-D335 IonicContact CZ-OD1 3.09Å; R332-D335 IonicContact CZ-OD2 3.23Å; R332-D335 IonicContact NH1-OD1 2.68Å; R332-D335 PolarHBondContact NH1-OD1 2.98Å; R332-D335 IonicContact NH1-OD2 2.85Å; R332-D335 PolarHBondContact NH1-OD2 3.39Å; R332-D335 WeakPolarHBondContact O-CB 3.42Å; R332-D335 PolarHBondContact O-N 3.49Å | ||
| 333 | V | 96.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -56.5 | -29.1 | 177.7 | 179.5 | 0 | 0 | 0 | 0 | 112 | F185 A208 L309 D335 M336 L359 Q362 V363 | F185-V333 HydrophobicContact CB-CG2 4.3Å; F185-V333 HydrophobicContact CD1-CG1 3.88Å; F185-V333 HydrophobicContact CD1-CG2 4.41Å; F185-V333 HydrophobicContact CE1-CG1 4.16Å; F185-V333 HydrophobicContact CG-CG2 4.37Å; A208-V333 HydrophobicContact CB-CG2 4.14Å; L309-V333 HydrophobicContact CD2-CG2 4.3Å; V333-D335 PolarHBondContact O-N 3.39Å; V333-M336 VanDerWaalsContact O-CB 3.29Å; V333-M336 WeakPolarHBondContact O-CB 2.94Å; V333-M336 PolarHBondContact O-N 3.05Å; V333-M336 VanDerWaalsContact O-N 3.08Å; V333-L359 HydrophobicContact CB-CD1 4.39Å; V333-L359 HydrophobicContact CG1-CD1 3.82Å; V333-L359 HydrophobicContact CG2-CD1 4.11Å; V333-Q362 HydrophobicContact CB-CB 4.13Å; V333-Q362 HydrophobicContact CG1-CB 4.29Å; V333-V363 HydrophobicContact CG1-CG2 3.84Å |
| 334 | Q | 96.9 | Very high | 97.5 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 27% | 0.271 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -62.3 | -24.1 | 177.2 | -56.8 | 79.6 | 6.4 | 0 | 0 | 113.5 | R332 M336 K337 Q362 S364 | R332-Q334 PolarHBondContact O-N 2.98Å; R332-Q334 VanDerWaalsContact O-N 3.08Å; Q334-M336 VanDerWaalsContact C-N 3.3Å; Q334-K337 PolarHBondContact O-NZ 3.4Å; Q334-Q362 VanDerWaalsContact CA-O 3.25Å; Q334-Q362 WeakPolarHBondContact CA-O 3.3Å; Q334-Q362 HydrophobicContact CG-CB 4.26Å; Q334-Q362 WeakPolarHBondContact CG-O 3.45Å; Q334-Q362 PolarHBondContact N-O 3.11Å; Q334-S364 PolarHBondContact O-OG 3.27Å |
| 335 | D | 97.6 | Very high | 97.5 | Very high | 72 Ų | 72 | 38.4 Ų | 38.4 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -80 | -17.2 | -179.6 | -63.7 | -22.3 | 0 | 0 | 0 | 111.1 | R332 V333 K337 | R332-D335 HydrophobicContact CB-CB 4.44Å; R332-D335 WeakPolarHBondContact CB-OD2 3.25Å; R332-D335 IonicContact CZ-OD1 3.09Å; R332-D335 IonicContact CZ-OD2 3.23Å; R332-D335 IonicContact NH1-OD1 2.68Å; R332-D335 PolarHBondContact NH1-OD1 2.98Å; R332-D335 IonicContact NH1-OD2 2.85Å; R332-D335 PolarHBondContact NH1-OD2 3.39Å; R332-D335 WeakPolarHBondContact O-CB 3.42Å; R332-D335 PolarHBondContact O-N 3.49Å; V333-D335 PolarHBondContact O-N 3.39Å; D335-K337 PolarHBondContact O-N 3.11Å |
| 336 | M | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -69.8 | 119.3 | 171.7 | -175.1 | -176.7 | 70.7 | 0 | 0 | 111.4 | F185 F188 F201 V333 Q334 V338 T340 V363 S364 | F185-M336 HydrophobicContact CD1-CE 3.78Å; F185-M336 HydrophobicContact CD1-SD 3.9Å; F185-M336 HydrophobicContact CE1-CE 3.8Å; F185-M336 HydrophobicContact CE1-SD 4.41Å; F188-M336 HydrophobicContact CB-CG 3.68Å; F188-M336 HydrophobicContact CB-SD 3.9Å; F188-M336 HydrophobicContact CD2-SD 4.25Å; F201-M336 HydrophobicContact CD1-CE 4.15Å; F201-M336 HydrophobicContact CD1-SD 3.92Å; F201-M336 HydrophobicContact CE1-CE 4.44Å; F201-M336 HydrophobicContact CE1-SD 4.24Å; V333-M336 VanDerWaalsContact O-CB 3.29Å; V333-M336 WeakPolarHBondContact O-CB 2.94Å; V333-M336 PolarHBondContact O-N 3.05Å; V333-M336 VanDerWaalsContact O-N 3.08Å; Q334-M336 VanDerWaalsContact C-N 3.3Å; M336-V338 HydrophobicContact CG-CB 4.2Å; M336-V338 HydrophobicContact CG-CG2 4.26Å; M336-T340 HydrophobicContact CE-CG2 4.23Å; M336-T340 WeakPolarHBondContact CE-OG1 3.32Å; M336-V363 HydrophobicContact CE-CG1 4.11Å; M336-S364 PolarHBondContact O-OG 2.88Å | ||
| 337 | K | 96.6 | Very high | 97.3 | Very high | 129 Ų | 129 | 37.1 Ų | 37.1 | 56% | 0.561 | 19% | 0.187 | S | C | * | . | trans | -101.8 | -7.4 | -179.9 | -55.3 | -51.4 | 175.7 | -160.7 | 0 | 115 | Q334 D335 S364 N365 | Q334-K337 PolarHBondContact O-NZ 3.4Å; D335-K337 PolarHBondContact O-N 3.11Å; K337-S364 PolarHBondContact NZ-OG 2.81Å; K337-N365 PolarHBondContact O-ND2 3.02Å | ||
| 338 | V | 98.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -57.5 | 130.4 | 179.4 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | F188 A195 I198 F201 M336 T340 | F188-V338 HydrophobicContact CB-CG2 3.87Å; F188-V338 HydrophobicContact CD2-CG2 4.21Å; F188-V338 HydrophobicContact CG-CG2 4.08Å; A195-V338 HydrophobicContact CB-CG2 3.77Å; I198-V338 HydrophobicContact CB-CG1 3.88Å; I198-V338 HydrophobicContact CB-CG2 4.33Å; I198-V338 HydrophobicContact CG2-CG1 3.51Å; F201-V338 HydrophobicContact CB-CG1 3.87Å; M336-V338 HydrophobicContact CG-CB 4.2Å; M336-V338 HydrophobicContact CG-CG2 4.26Å; V338-T340 PolarHBondContact O-N 3.08Å; V338-T340 PolarHBondContact O-OG1 1.99Å |
| 339 | P | 98.7 | Very high | 96.8 | Very high | 32 Ų | 32 | 34 Ų | 34 | 21% | 0.208 | 17% | 0.167 | C | C | . | . | trans | -52.1 | 127.1 | 169 | -24.7 | 34.2 | 0 | 0 | 0 | 109.6 | L200 F201 V367 | L200-P339 WeakPolarHBondContact CA-O 3.37Å; L200-P339 HydrophobicContact CD1-CB 4.02Å; L200-P339 WeakPolarHBondContact CD1-O 3.4Å; F201-P339 PolarHBondContact N-O 2.88Å; P339-V367 HydrophobicContact CB-CG1 3.95Å | ||
| 340 | T | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.3 | -169.9 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | F201 M336 V338 L342 V363 N365 V367 | F201-T340 HydrophobicContact CD1-CG2 3.73Å; F201-T340 HydrophobicContact CE1-CG2 4.21Å; F201-T340 HydrophobicContact CG-CG2 4.29Å; F201-T340 CarbonylContact O-C 3.59Å; F201-T340 VanDerWaalsContact O-CA 3.32Å; F201-T340 WeakPolarHBondContact O-CA 3.42Å; M336-T340 HydrophobicContact CE-CG2 4.23Å; M336-T340 WeakPolarHBondContact CE-OG1 3.32Å; V338-T340 PolarHBondContact O-N 3.08Å; V338-T340 PolarHBondContact O-OG1 1.99Å; T340-L342 HydrophobicContact CG2-CD2 3.62Å; T340-L342 HydrophobicContact CG2-CG 3.97Å; T340-V363 HydrophobicContact CG2-CG1 4.08Å; T340-N365 PolarHBondContact N-O 2.89Å; T340-V367 WeakPolarHBondContact O-CG2 3.43Å; T340-V367 PolarHBondContact O-N 3.07Å |
| 341 | A | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 124.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L200 F201 F202 G203 F343 V367 Y368 L397 | L200-A341 HydrophobicContact CD1-CB 4.27Å; F201-A341 PolarHBondContact O-N 3.26Å; F202-A341 CarbonylContact C-O 3.54Å; F202-A341 VanDerWaalsContact CA-O 3.3Å; F202-A341 WeakPolarHBondContact CA-O 3.46Å; F202-A341 HydrophobicContact CD1-CB 3.96Å; F202-A341 HydrophobicContact CE1-CB 4.28Å; G203-A341 PolarHBondContact N-O 2.89Å; A341-F343 HydrophobicContact CB-CE2 4.26Å; A341-V367 HydrophobicContact CB-CG2 4.46Å; A341-Y368 CarbonylContact C-O 3.56Å; A341-Y368 WeakPolarHBondContact CA-O 3.31Å; A341-Y368 HydrophobicContact CB-CD1 4.34Å; A341-L397 HydrophobicContact CB-CD1 3.86Å |
| 342 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142.8 | -177.6 | -62.7 | -174.5 | 0 | 0 | 0 | 112.4 | F185 G203 P206 T340 L359 L360 V363 L366 Y368 H369 Q370 | F185-L342 HydrophobicContact CZ-CD2 4.19Å; G203-L342 WeakPolarHBondContact O-CA 3.16Å; P206-L342 HydrophobicContact CB-CD2 3.99Å; P206-L342 HydrophobicContact CG-CB 4.42Å; P206-L342 HydrophobicContact CG-CD1 4.32Å; P206-L342 HydrophobicContact CG-CD2 4.17Å; T340-L342 HydrophobicContact CG2-CD2 3.62Å; T340-L342 HydrophobicContact CG2-CG 3.97Å; L342-L359 HydrophobicContact CD1-CD2 4.47Å; L342-L360 HydrophobicContact CB-CD2 4.49Å; L342-L360 HydrophobicContact CD1-CD2 3.85Å; L342-V363 HydrophobicContact CD1-CG2 4.14Å; L342-L366 HydrophobicContact CB-CD1 4.34Å; L342-L366 HydrophobicContact CD1-CD1 4.01Å; L342-L366 HydrophobicContact CG-CD1 3.89Å; L342-Y368 PolarHBondContact N-O 3.14Å; L342-H369 CarbonylContact O-C 3.53Å; L342-H369 VanDerWaalsContact O-CA 3.27Å; L342-H369 WeakPolarHBondContact O-CA 3.48Å; L342-H369 PolarHBondContact O-CD2 3.35Å; L342-Q370 PolarHBondContact O-N 2.94Å |
| 343 | F | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.7 | 176.8 | -61.2 | -104.2 | 0 | 0 | 0 | 108.8 | F202 G203 L204 A205 P206 A341 Y368 Q370 F380 M390 I394 L397 | F202-F343 HydrophobicContact CD1-CE2 4.04Å; G203-F343 PolarHBondContact O-N 3.28Å; L204-F343 HydrophobicContact CD2-CB 3.94Å; L204-F343 HydrophobicContact CD2-CD2 3.5Å; L204-F343 HydrophobicContact CD2-CE2 4.23Å; L204-F343 HydrophobicContact CD2-CG 3.85Å; A205-F343 PolarHBondContact N-O 2.96Å; P206-F343 WeakPolarHBondContact CD-O 3.4Å; A341-F343 HydrophobicContact CB-CE2 4.26Å; F343-Y368 HydrophobicContact CE1-CD1 4.43Å; F343-Y368 AromaticContact CE1-CE1 3.76Å; F343-Y368 HydrophobicContact CE1-CE1 3.76Å; F343-Y368 HydrophobicContact CE2-CD1 4.34Å; F343-Y368 HydrophobicContact CE2-CE1 4.45Å; F343-Y368 AromaticContact CZ-CD1 3.98Å; F343-Y368 HydrophobicContact CZ-CD1 3.98Å; F343-Y368 AromaticContact CZ-CE1 3.72Å; F343-Y368 HydrophobicContact CZ-CE1 3.72Å; F343-Q370 WeakPolarHBondContact CA-O 3.25Å; F343-Q370 HydrophobicContact CD1-CB 3.82Å; F343-Q370 HydrophobicContact CD1-CG 4.34Å; F343-Q370 HydrophobicContact CE1-CB 4.07Å; F343-F380 HydrophobicContact CB-CD1 4.27Å; F343-F380 HydrophobicContact CB-CE1 3.75Å; F343-F380 WeakPolarHBondContact O-CE1 3.39Å; F343-M390 HydrophobicContact CB-SD 4.49Å; F343-M390 HydrophobicContact CD1-CG 3.69Å; F343-M390 HydrophobicContact CD1-SD 4.31Å; F343-M390 HydrophobicContact CE1-CG 3.86Å; F343-M390 HydrophobicContact CG-CG 4.32Å; F343-M390 HydrophobicContact CG-SD 4.4Å; F343-I394 HydrophobicContact CE1-CG1 4.38Å; F343-I394 HydrophobicContact CE2-CG1 4.15Å; F343-I394 HydrophobicContact CZ-CG1 3.79Å; F343-L397 HydrophobicContact CZ-CD1 4.42Å |
| 344 | S | 98.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 148.8 | -176 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | H369 Q370 H371 I372 | S344-H369 PolarHBondContact OG-NE2 3.45Å; S344-Q370 PolarHBondContact N-O 2.76Å; S344-H371 CarbonylContact O-C 3.57Å; S344-H371 WeakPolarHBondContact O-CA 3.42Å; S344-H371 PolarHBondContact O-ND1 3.35Å; S344-H371 PolarHBondContact OG-ND1 3.14Å; S344-H371 VanDerWaalsContact OG-ND1 3.09Å; S344-I372 PolarHBondContact O-N 3.48Å |
| 345 | G | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 143.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111 | I372 W375 | G345-I372 CarbonylContact C-O 3.49Å; G345-I372 WeakPolarHBondContact CA-O 3.5Å; G345-W375 CarbonylContact C-O 3.54Å; G345-W375 WeakPolarHBondContact CA-O 3.45Å |
| 346 | G | 95.8 | Very high | 95.7 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 18% | 0.175 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -77.5 | -23.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P353 H371 I372 E373 | G346-P353 WeakPolarHBondContact O-CG 2.76Å; G346-H371 WeakPolarHBondContact CA-CE1 3.48Å; G346-H371 PolarHBondContact N-CE1 3.03Å; G346-I372 PolarHBondContact N-O 3.34Å; G346-E373 CarbonylContact C-O 3.52Å; G346-E373 WeakPolarHBondContact CA-O 3.45Å; G346-E373 PolarHBondContact N-O 3.23Å |
| 347 | H | 93.5 | Very high | 95.7 | Very high | 110 Ų | 110 | 28 Ų | 28 | 51% | 0.509 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -107.4 | 7.4 | 174.8 | -61.1 | 142.6 | 0 | 0 | 0 | 113.2 | T349 E373 H374 W375 E376 | H347-T349 PolarHBondContact O-N 3.05Å; H347-E373 PolarHBondContact N-O 2.85Å; H347-H374 PolarHBondContact ND1-O 3.39Å; H347-W375 CarbonylContact C-O 3.58Å; H347-W375 PolarHBondContact N-O 3.43Å; H347-W375 VanDerWaalsContact N-O 3.09Å; H347-E376 HydrophobicContact CB-CG 4.13Å; H347-E376 WeakPolarHBondContact O-CG 3.34Å; H347-E376 VanDerWaalsContact O-OE2 3.12Å |
| 348 | D | 93.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | trans | -60.5 | 111.4 | -179.1 | -168 | -35.7 | 0 | 0 | 0 | 110.5 | A205 L350 A351 D352 W375 E376 H377 | A205-D348 VanDerWaalsContact CB-OD2 3.31Å; A205-D348 WeakPolarHBondContact CB-OD2 3.11Å; D348-L350 VanDerWaalsContact C-N 3.33Å; D348-L350 PolarHBondContact OD1-N 2.83Å; D348-A351 PolarHBondContact OD1-N 2.8Å; D348-D352 WeakPolarHBondContact O-CA 3.38Å; D348-W375 PolarHBondContact N-O 3.26Å; D348-E376 VanDerWaalsContact CA-OE2 3.3Å; D348-E376 WeakPolarHBondContact CA-OE2 3.14Å; D348-H377 VanDerWaalsContact CG-ND1 3.3Å; D348-H377 WeakPolarHBondContact OD1-CB 3.32Å; D348-H377 IonicContact OD1-CG 3.95Å; D348-H377 IonicContact OD1-ND1 3.4Å; D348-H377 PolarHBondContact OD1-ND1 3.43Å; D348-H377 WeakPolarHBondContact OD2-CA 3.4Å; D348-H377 IonicContact OD2-CE1 3.51Å; D348-H377 IonicContact OD2-CG 3.97Å; D348-H377 IonicContact OD2-ND1 2.76Å; D348-H377 PolarHBondContact OD2-ND1 2.97Å | ||
| 349 | T | 89.1 | Confident | 95.5 | Very high | 32 Ų | 32 | 23.4 Ų | 23.4 | 20% | 0.196 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -79.2 | -16 | -176.4 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | T213 D214 S215 H347 E376 | T213-T349 WeakPolarHBondContact CB-O 3.42Å; T213-T349 PolarHBondContact OG1-O 2.88Å; D214-T349 PolarHBondContact N-O 3.43Å; S215-T349 WeakPolarHBondContact CB-O 3.45Å; S215-T349 PolarHBondContact N-O 3.32Å; S215-T349 VanDerWaalsContact N-O 3.14Å; H347-T349 PolarHBondContact O-N 3.05Å; T349-E376 VanDerWaalsContact CG2-OE1 3.25Å; T349-E376 WeakPolarHBondContact CG2-OE1 3.31Å; T349-E376 PolarHBondContact N-OE2 2.95Å; T349-E376 PolarHBondContact OG1-OE1 3.19Å; T349-E376 PolarHBondContact OG1-OE2 2.97Å |
| 350 | L | 89.6 | Confident | 95.4 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 6% | 0.058 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -103.6 | -55.4 | -177.2 | -165.2 | 157.7 | 0 | 0 | 0 | 111.4 | V207 M217 D348 D352 | V207-L350 HydrophobicContact CG2-CD2 3.67Å; M217-L350 HydrophobicContact SD-CD1 4.38Å; D348-L350 VanDerWaalsContact C-N 3.33Å; D348-L350 PolarHBondContact OD1-N 2.83Å; L350-D352 PolarHBondContact O-N 2.73Å; L350-D352 VanDerWaalsContact O-N 3.14Å |
| 351 | A | 92.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -86.8 | 62.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A205 V207 D348 V356 | A205-A351 HydrophobicContact CB-CB 4.1Å; V207-A351 HydrophobicContact CG2-CB 3.89Å; D348-A351 PolarHBondContact OD1-N 2.8Å; A351-V356 HydrophobicContact CB-CG2 4.32Å; A351-V356 WeakPolarHBondContact O-CG2 3.49Å |
| 352 | D | 92.7 | Very high | 95.2 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | trans | -53.3 | 140.5 | -171.9 | 172.4 | -91.1 | 0 | 0 | 0 | 112.4 | D348 L350 K354 D355 V356 | D348-D352 WeakPolarHBondContact O-CA 3.38Å; L350-D352 PolarHBondContact O-N 2.73Å; L350-D352 VanDerWaalsContact O-N 3.14Å; D352-K354 PolarHBondContact O-N 3.31Å; D352-K354 WeakPolarHBondContact OD1-CA 3.43Å; D352-K354 WeakPolarHBondContact OD1-CB 3.31Å; D352-K354 WeakPolarHBondContact OD1-CG 3.48Å; D352-K354 PolarHBondContact OD1-N 2.79Å; D352-D355 PolarHBondContact O-N 2.94Å; D352-V356 PolarHBondContact O-N 3.17Å | ||
| 353 | P | 95.3 | Very high | 95.1 | Very high | 43 Ų | 43 | 32.3 Ų | 32.3 | 28% | 0.279 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -51.3 | -29.6 | 179.4 | -31.1 | 35.5 | 0 | 0 | 0 | 115.7 | G346 A357 | G346-P353 WeakPolarHBondContact O-CG 2.76Å; P353-A357 WeakPolarHBondContact O-CB 3.44Å; P353-A357 PolarHBondContact O-N 3.05Å |
| 354 | K | 95 | Very high | 95 | Very high | 125 Ų | 125 | 35.3 Ų | 35.3 | 54% | 0.543 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -75.5 | -43.1 | 177 | -57.1 | 166.3 | -174 | 151.7 | 0 | 111.6 | F212 D352 V356 A357 A358 | F212-K354 HydrophobicContact CB-CB 4.04Å; F212-K354 HydrophobicContact CB-CD 3.97Å; F212-K354 HydrophobicContact CD1-CD 4.09Å; F212-K354 HydrophobicContact CD2-CB 3.89Å; F212-K354 HydrophobicContact CG-CB 3.96Å; F212-K354 HydrophobicContact CG-CD 4.01Å; D352-K354 PolarHBondContact O-N 3.31Å; D352-K354 WeakPolarHBondContact OD1-CA 3.43Å; D352-K354 WeakPolarHBondContact OD1-CB 3.31Å; D352-K354 WeakPolarHBondContact OD1-CG 3.48Å; D352-K354 PolarHBondContact OD1-N 2.79Å; K354-V356 VanDerWaalsContact C-N 3.32Å; K354-A357 PolarHBondContact O-N 3.11Å; K354-A358 PolarHBondContact O-N 2.92Å |
| 355 | D | 94.2 | Very high | 95 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 173.4 | -83.9 | -60.6 | 0 | 0 | 0 | 110.2 | T209 A211 F212 D352 A358 L359 | T209-D355 WeakPolarHBondContact CB-OD1 3.11Å; T209-D355 PolarHBondContact OG1-OD1 3.22Å; A211-D355 PolarHBondContact N-OD1 2.95Å; A211-D355 PolarHBondContact N-OD2 3.39Å; F212-D355 PolarHBondContact N-OD2 2.97Å; D352-D355 PolarHBondContact O-N 2.94Å; D355-A358 PolarHBondContact O-N 3.12Å; D355-L359 WeakPolarHBondContact O-CB 3.33Å; D355-L359 PolarHBondContact O-N 2.96Å |
| 356 | V | 96.9 | Very high | 95 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.7 | -43.1 | 175 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | P206 A351 D352 K354 A358 L359 L360 | P206-V356 HydrophobicContact CG-CG2 4.34Å; A351-V356 HydrophobicContact CB-CG2 4.32Å; A351-V356 WeakPolarHBondContact O-CG2 3.49Å; D352-V356 PolarHBondContact O-N 3.17Å; K354-V356 VanDerWaalsContact C-N 3.32Å; V356-A358 VanDerWaalsContact C-N 3.27Å; V356-A358 PolarHBondContact O-N 3.24Å; V356-L359 WeakPolarHBondContact O-CB 3.2Å; V356-L359 PolarHBondContact O-N 3.35Å; V356-L359 VanDerWaalsContact O-N 3.14Å; V356-L360 HydrophobicContact CG1-CD1 4.12Å; V356-L360 HydrophobicContact CG1-CG 4.25Å; V356-L360 VanDerWaalsContact O-CG 3.32Å; V356-L360 WeakPolarHBondContact O-CG 3.41Å; V356-L360 PolarHBondContact O-N 3.42Å |
| 357 | A | 96.3 | Very high | 95.1 | Very high | 54 Ų | 54 | 43.3 Ų | 43.3 | 45% | 0.446 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P353 K354 | P353-A357 WeakPolarHBondContact O-CB 3.44Å; P353-A357 PolarHBondContact O-N 3.05Å; K354-A357 PolarHBondContact O-N 3.11Å |
| 358 | A | 95.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 41.4 Ų | 41.4 | 31% | 0.306 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.7 | -46.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K354 D355 V356 L360 T361 Q362 | K354-A358 PolarHBondContact O-N 2.92Å; D355-A358 PolarHBondContact O-N 3.12Å; V356-A358 VanDerWaalsContact C-N 3.27Å; V356-A358 PolarHBondContact O-N 3.24Å; A358-L360 VanDerWaalsContact C-N 3.35Å; A358-L360 PolarHBondContact O-N 2.73Å; A358-T361 PolarHBondContact O-N 2.99Å; A358-T361 VanDerWaalsContact O-N 3.15Å; A358-T361 PolarHBondContact O-OG1 3.28Å; A358-Q362 WeakPolarHBondContact O-CG 3.05Å |
| 359 | L | 96.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58 | -42.4 | 178.7 | 175 | 57.5 | 0 | 0 | 0 | 112.8 | F185 P206 A208 V333 L342 D355 V356 T361 Q362 V363 | F185-L359 HydrophobicContact CE1-CD1 4.3Å; F185-L359 HydrophobicContact CE2-CD1 4.4Å; F185-L359 HydrophobicContact CE2-CD2 3.82Å; F185-L359 HydrophobicContact CZ-CD1 4.11Å; F185-L359 HydrophobicContact CZ-CD2 3.75Å; F185-L359 HydrophobicContact CZ-CG 4.37Å; P206-L359 HydrophobicContact CB-CD2 3.77Å; P206-L359 HydrophobicContact CG-CD2 4.11Å; A208-L359 HydrophobicContact CB-CD1 3.61Å; A208-L359 HydrophobicContact CB-CD2 4.06Å; A208-L359 HydrophobicContact CB-CG 4.33Å; V333-L359 HydrophobicContact CB-CD1 4.39Å; V333-L359 HydrophobicContact CG1-CD1 3.82Å; V333-L359 HydrophobicContact CG2-CD1 4.11Å; L342-L359 HydrophobicContact CD1-CD2 4.47Å; D355-L359 WeakPolarHBondContact O-CB 3.33Å; D355-L359 PolarHBondContact O-N 2.96Å; V356-L359 WeakPolarHBondContact O-CB 3.2Å; V356-L359 PolarHBondContact O-N 3.35Å; V356-L359 VanDerWaalsContact O-N 3.14Å; L359-T361 PolarHBondContact O-N 2.78Å; L359-T361 VanDerWaalsContact O-N 3.14Å; L359-Q362 WeakPolarHBondContact O-CA 3.39Å; L359-Q362 WeakPolarHBondContact O-CB 3.17Å; L359-Q362 PolarHBondContact O-N 2.86Å; L359-V363 HydrophobicContact CD1-CG2 4.02Å; L359-V363 HydrophobicContact CG-CG2 4.34Å; L359-V363 PolarHBondContact O-N 3.22Å |
| 360 | L | 97.5 | Very high | 96.1 | Very high | 41 Ų | 41 | 44.8 Ų | 44.8 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.3 | -30.4 | 178.6 | -72.1 | 166.3 | 0 | 0 | 0 | 112.4 | L342 V356 A358 Q362 L366 H369 | L342-L360 HydrophobicContact CB-CD2 4.49Å; L342-L360 HydrophobicContact CD1-CD2 3.85Å; V356-L360 HydrophobicContact CG1-CD1 4.12Å; V356-L360 HydrophobicContact CG1-CG 4.25Å; V356-L360 VanDerWaalsContact O-CG 3.32Å; V356-L360 WeakPolarHBondContact O-CG 3.41Å; V356-L360 PolarHBondContact O-N 3.42Å; A358-L360 VanDerWaalsContact C-N 3.35Å; A358-L360 PolarHBondContact O-N 2.73Å; L360-Q362 VanDerWaalsContact C-N 3.27Å; L360-Q362 PolarHBondContact O-N 3.32Å; L360-L366 HydrophobicContact CD2-CD1 4.19Å; L360-L366 HydrophobicContact CD2-CD2 3.67Å; L360-H369 HydrophobicContact CD2-CB 4.04Å |
| 361 | T | 96.3 | Very high | 96.5 | Very high | 120 Ų | 120 | 48.2 Ų | 48.2 | 74% | 0.736 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -16 | 176.2 | 72.4 | 0 | 0 | 0 | 0 | 113.8 | A358 L359 | A358-T361 PolarHBondContact O-N 2.99Å; A358-T361 VanDerWaalsContact O-N 3.15Å; A358-T361 PolarHBondContact O-OG1 3.28Å; L359-T361 PolarHBondContact O-N 2.78Å; L359-T361 VanDerWaalsContact O-N 3.14Å |
| 362 | Q | 96.3 | Very high | 96.8 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -26.4 | -175.3 | -57 | -173.8 | 55 | 0 | 0 | 112.9 | V333 Q334 A358 L359 L360 S364 | V333-Q362 HydrophobicContact CB-CB 4.13Å; V333-Q362 HydrophobicContact CG1-CB 4.29Å; Q334-Q362 VanDerWaalsContact CA-O 3.25Å; Q334-Q362 WeakPolarHBondContact CA-O 3.3Å; Q334-Q362 HydrophobicContact CG-CB 4.26Å; Q334-Q362 WeakPolarHBondContact CG-O 3.45Å; Q334-Q362 PolarHBondContact N-O 3.11Å; A358-Q362 WeakPolarHBondContact O-CG 3.05Å; L359-Q362 WeakPolarHBondContact O-CA 3.39Å; L359-Q362 WeakPolarHBondContact O-CB 3.17Å; L359-Q362 PolarHBondContact O-N 2.86Å; L360-Q362 VanDerWaalsContact C-N 3.27Å; L360-Q362 PolarHBondContact O-N 3.32Å; Q362-S364 PolarHBondContact O-N 3.43Å; Q362-S364 VanDerWaalsContact O-N 3.12Å |
| 363 | V | 97.4 | Very high | 97 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | trans | -70.4 | 108.6 | -179.8 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | F185 V333 M336 T340 L342 L359 N365 L366 | F185-V363 HydrophobicContact CE1-CG2 4.23Å; V333-V363 HydrophobicContact CG1-CG2 3.84Å; M336-V363 HydrophobicContact CE-CG1 4.11Å; T340-V363 HydrophobicContact CG2-CG1 4.08Å; L342-V363 HydrophobicContact CD1-CG2 4.14Å; L359-V363 HydrophobicContact CD1-CG2 4.02Å; L359-V363 HydrophobicContact CG-CG2 4.34Å; L359-V363 PolarHBondContact O-N 3.22Å; V363-N365 VanDerWaalsContact C-N 3.31Å; V363-N365 PolarHBondContact O-N 3.34Å; V363-L366 HydrophobicContact CB-CB 4.37Å; V363-L366 HydrophobicContact CG1-CB 3.99Å; V363-L366 HydrophobicContact CG1-CD1 4.25Å | ||
| 364 | S | 96.1 | Very high | 97 | Very high | 62 Ų | 62 | 55.2 Ų | 55.2 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -23.5 | -170.7 | 75.4 | 0 | 0 | 0 | 0 | 114.7 | Q334 M336 K337 Q362 | Q334-S364 PolarHBondContact O-OG 3.27Å; M336-S364 PolarHBondContact O-OG 2.88Å; K337-S364 PolarHBondContact NZ-OG 2.81Å; Q362-S364 PolarHBondContact O-N 3.43Å; Q362-S364 VanDerWaalsContact O-N 3.12Å |
| 365 | N | 97.7 | Very high | 97 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 60.4 | -179.8 | -168.6 | 6.5 | 0 | 0 | 0 | 110.9 | K337 T340 V363 V367 | K337-N365 PolarHBondContact O-ND2 3.02Å; T340-N365 PolarHBondContact N-O 2.89Å; V363-N365 VanDerWaalsContact C-N 3.31Å; V363-N365 PolarHBondContact O-N 3.34Å; N365-V367 PolarHBondContact O-N 3.34Å |
| 366 | L | 98.4 | Very high | 96.9 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 34% | 0.335 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 108.9 | 176.5 | -174.7 | 71 | 0 | 0 | 0 | 109.7 | L342 L360 V363 Y368 H369 | L342-L366 HydrophobicContact CB-CD1 4.34Å; L342-L366 HydrophobicContact CD1-CD1 4.01Å; L342-L366 HydrophobicContact CG-CD1 3.89Å; L360-L366 HydrophobicContact CD2-CD1 4.19Å; L360-L366 HydrophobicContact CD2-CD2 3.67Å; V363-L366 HydrophobicContact CB-CB 4.37Å; V363-L366 HydrophobicContact CG1-CB 3.99Å; V363-L366 HydrophobicContact CG1-CD1 4.25Å; L366-Y368 WeakPolarHBondContact CD1-O 3.37Å; L366-H369 HydrophobicContact CD2-CB 4.39Å |
| 367 | V | 98.4 | Very high | 96.8 | Very high | 62 Ų | 62 | 49.6 Ų | 49.6 | 38% | 0.376 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -21.4 | 179.9 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | L200 P339 T340 A341 N365 | L200-V367 HydrophobicContact CD1-CG2 3.7Å; P339-V367 HydrophobicContact CB-CG1 3.95Å; T340-V367 WeakPolarHBondContact O-CG2 3.43Å; T340-V367 PolarHBondContact O-N 3.07Å; A341-V367 HydrophobicContact CB-CG2 4.46Å; N365-V367 PolarHBondContact O-N 3.34Å |
| 368 | Y | 98.7 | Very high | 96.6 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 28% | 0.275 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 143.4 | -178.8 | -174.2 | -100.3 | 0 | 0 | 0 | 111.5 | A341 L342 F343 L366 Q370 S393 L397 | A341-Y368 CarbonylContact C-O 3.56Å; A341-Y368 WeakPolarHBondContact CA-O 3.31Å; A341-Y368 HydrophobicContact CB-CD1 4.34Å; L342-Y368 PolarHBondContact N-O 3.14Å; F343-Y368 HydrophobicContact CE1-CD1 4.43Å; F343-Y368 AromaticContact CE1-CE1 3.76Å; F343-Y368 HydrophobicContact CE1-CE1 3.76Å; F343-Y368 HydrophobicContact CE2-CD1 4.34Å; F343-Y368 HydrophobicContact CE2-CE1 4.45Å; F343-Y368 AromaticContact CZ-CD1 3.98Å; F343-Y368 HydrophobicContact CZ-CD1 3.98Å; F343-Y368 AromaticContact CZ-CE1 3.72Å; F343-Y368 HydrophobicContact CZ-CE1 3.72Å; L366-Y368 WeakPolarHBondContact CD1-O 3.37Å; Y368-Q370 HydrophobicContact CD1-CB 4.44Å; Y368-Q370 HydrophobicContact CE1-CB 3.47Å; Y368-Q370 VanDerWaalsContact CE1-CB 3.47Å; Y368-Q370 PolarHBondContact OH-OE1 2.82Å; Y368-S393 PolarHBondContact OH-OG 2.89Å; Y368-L397 HydrophobicContact CD1-CD1 3.77Å; Y368-L397 HydrophobicContact CD2-CD1 4.4Å; Y368-L397 HydrophobicContact CE1-CD1 4.32Å; Y368-L397 HydrophobicContact CG-CD1 3.8Å; Y368-L397 HydrophobicContact CG-CD2 4.47Å |
| 369 | H | 98.6 | Very high | 96.7 | Very high | 71 Ų | 71 | 46 Ų | 46 | 33% | 0.329 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 129.7 | 166.2 | 173 | -126.8 | 0 | 0 | 0 | 109.6 | L342 S344 L360 L366 | L342-H369 CarbonylContact O-C 3.53Å; L342-H369 VanDerWaalsContact O-CA 3.27Å; L342-H369 WeakPolarHBondContact O-CA 3.48Å; L342-H369 PolarHBondContact O-CD2 3.35Å; S344-H369 PolarHBondContact OG-NE2 3.45Å; L360-H369 HydrophobicContact CD2-CB 4.04Å; L366-H369 HydrophobicContact CD2-CB 4.39Å |
| 370 | Q | 98.6 | Very high | 96.7 | Very high | 33 Ų | 33 | 46 Ų | 46 | 15% | 0.154 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.2 | 171 | -179.9 | 174.2 | -10.8 | 0 | 0 | 109.6 | L342 F343 S344 Y368 I372 V389 S393 | L342-Q370 PolarHBondContact O-N 2.94Å; F343-Q370 WeakPolarHBondContact CA-O 3.25Å; F343-Q370 HydrophobicContact CD1-CB 3.82Å; F343-Q370 HydrophobicContact CD1-CG 4.34Å; F343-Q370 HydrophobicContact CE1-CB 4.07Å; S344-Q370 PolarHBondContact N-O 2.76Å; Y368-Q370 HydrophobicContact CD1-CB 4.44Å; Y368-Q370 HydrophobicContact CE1-CB 3.47Å; Y368-Q370 VanDerWaalsContact CE1-CB 3.47Å; Y368-Q370 PolarHBondContact OH-OE1 2.82Å; Q370-I372 HydrophobicContact CG-CG1 4.09Å; Q370-V389 PolarHBondContact NE2-O 3.15Å; Q370-S393 PolarHBondContact OE1-OG 3.22Å |
| 371 | H | 98.3 | Very high | 96.6 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.7 | 171.9 | -171.5 | 59.7 | 0 | 0 | 0 | 109.9 | S344 G346 E373 | S344-H371 CarbonylContact O-C 3.57Å; S344-H371 WeakPolarHBondContact O-CA 3.42Å; S344-H371 PolarHBondContact O-ND1 3.35Å; S344-H371 PolarHBondContact OG-ND1 3.14Å; S344-H371 VanDerWaalsContact OG-ND1 3.09Å; G346-H371 WeakPolarHBondContact CA-CE1 3.48Å; G346-H371 PolarHBondContact N-CE1 3.03Å; H371-E373 IonicContact CD2-OE2 3.79Å; H371-E373 IonicContact NE2-OE2 2.71Å |
| 372 | I | 98.1 | Very high | 96.6 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.046 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 102.3 | -178.7 | -53.6 | 163.5 | 0 | 0 | 0 | 107.8 | S344 G345 G346 Q370 H374 W375 V389 | S344-I372 PolarHBondContact O-N 3.48Å; G345-I372 CarbonylContact C-O 3.49Å; G345-I372 WeakPolarHBondContact CA-O 3.5Å; G346-I372 PolarHBondContact N-O 3.34Å; Q370-I372 HydrophobicContact CG-CG1 4.09Å; I372-H374 PolarHBondContact O-N 2.78Å; I372-W375 HydrophobicContact CB-CB 4.19Å; I372-W375 HydrophobicContact CB-CD2 3.97Å; I372-W375 HydrophobicContact CB-CE3 4.36Å; I372-W375 HydrophobicContact CB-CG 3.89Å; I372-W375 HydrophobicContact CD1-CD2 3.66Å; I372-W375 HydrophobicContact CD1-CE3 3.39Å; I372-W375 HydrophobicContact CD1-CG 4.48Å; I372-W375 HydrophobicContact CD1-CH2 3.75Å; I372-W375 HydrophobicContact CD1-CZ2 3.98Å; I372-W375 HydrophobicContact CD1-CZ3 3.44Å; I372-W375 VanDerWaalsContact CD1-CZ3 3.44Å; I372-W375 HydrophobicContact CG1-CD2 4.42Å; I372-W375 HydrophobicContact CG1-CE3 4.46Å; I372-W375 HydrophobicContact CG2-CB 4.05Å; I372-W375 HydrophobicContact CG2-CD2 3.64Å; I372-W375 HydrophobicContact CG2-CE3 4.47Å; I372-W375 HydrophobicContact CG2-CG 3.4Å; I372-W375 PolarHBondContact O-N 2.74Å; I372-V389 HydrophobicContact CD1-CG1 3.69Å; I372-V389 HydrophobicContact CG1-CG1 3.9Å; I372-V389 HydrophobicContact CG2-CG1 4.01Å |
| 373 | E | 96.6 | Very high | 96.5 | Very high | 124 Ų | 124 | 36.7 Ų | 36.7 | 58% | 0.579 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -47.2 | -166.7 | -171.7 | 67.5 | -161.6 | 0 | 0 | 113.4 | G346 H347 H371 W375 | G346-E373 CarbonylContact C-O 3.52Å; G346-E373 WeakPolarHBondContact CA-O 3.45Å; G346-E373 PolarHBondContact N-O 3.23Å; H347-E373 PolarHBondContact N-O 2.85Å; H371-E373 IonicContact CD2-OE2 3.79Å; H371-E373 IonicContact NE2-OE2 2.71Å; E373-W375 PolarHBondContact O-N 3.06Å |
| 374 | H | 95.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 35% | 0.352 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.7 | -171.6 | 63.8 | -70.2 | 0 | 0 | 0 | 114.6 | H347 I372 D385 | H347-H374 PolarHBondContact ND1-O 3.39Å; I372-H374 PolarHBondContact O-N 2.78Å; H374-D385 IonicContact CD2-OD2 3.43Å; H374-D385 IonicContact CE1-OD2 3.99Å; H374-D385 PolarHBondContact CE1-OD2 3.46Å; H374-D385 IonicContact NE2-OD2 3.26Å; H374-D385 PolarHBondContact NE2-OD2 3.45Å |
| 375 | W | 95.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -75.4 | 140.8 | -173.8 | -79 | 15.1 | 0 | 0 | 0 | 113.3 | G345 H347 D348 I372 E373 D379 F380 D385 A386 V389 M390 | G345-W375 CarbonylContact C-O 3.54Å; G345-W375 WeakPolarHBondContact CA-O 3.45Å; H347-W375 CarbonylContact C-O 3.58Å; H347-W375 PolarHBondContact N-O 3.43Å; H347-W375 VanDerWaalsContact N-O 3.09Å; D348-W375 PolarHBondContact N-O 3.26Å; I372-W375 HydrophobicContact CB-CB 4.19Å; I372-W375 HydrophobicContact CB-CD2 3.97Å; I372-W375 HydrophobicContact CB-CE3 4.36Å; I372-W375 HydrophobicContact CB-CG 3.89Å; I372-W375 HydrophobicContact CD1-CD2 3.66Å; I372-W375 HydrophobicContact CD1-CE3 3.39Å; I372-W375 HydrophobicContact CD1-CG 4.48Å; I372-W375 HydrophobicContact CD1-CH2 3.75Å; I372-W375 HydrophobicContact CD1-CZ2 3.98Å; I372-W375 HydrophobicContact CD1-CZ3 3.44Å; I372-W375 VanDerWaalsContact CD1-CZ3 3.44Å; I372-W375 HydrophobicContact CG1-CD2 4.42Å; I372-W375 HydrophobicContact CG1-CE3 4.46Å; I372-W375 HydrophobicContact CG2-CB 4.05Å; I372-W375 HydrophobicContact CG2-CD2 3.64Å; I372-W375 HydrophobicContact CG2-CE3 4.47Å; I372-W375 HydrophobicContact CG2-CG 3.4Å; I372-W375 PolarHBondContact O-N 2.74Å; E373-W375 PolarHBondContact O-N 3.06Å; W375-D379 HydrophobicContact CB-CB 3.95Å; W375-D379 HydrophobicContact CD2-CB 3.69Å; W375-D379 HydrophobicContact CE3-CB 3.97Å; W375-D379 HydrophobicContact CG-CB 3.69Å; W375-F380 AromaticContact CE3-CD1 3.81Å; W375-F380 HydrophobicContact CE3-CD1 3.81Å; W375-F380 HydrophobicContact CE3-CD2 4.22Å; W375-F380 AromaticContact CE3-CE1 3.62Å; W375-F380 HydrophobicContact CE3-CE1 3.62Å; W375-F380 HydrophobicContact CE3-CE2 4.07Å; W375-F380 HydrophobicContact CE3-CG 4.1Å; W375-F380 AromaticContact CE3-CZ 3.76Å; W375-F380 HydrophobicContact CE3-CZ 3.76Å; W375-F380 AromaticContact CZ3-CD1 3.63Å; W375-F380 HydrophobicContact CZ3-CD1 3.63Å; W375-F380 AromaticContact CZ3-CE1 3.79Å; W375-F380 HydrophobicContact CZ3-CE1 3.79Å; W375-F380 HydrophobicContact CZ3-CG 4.09Å; W375-F380 HydrophobicContact CZ3-CZ 4.38Å; W375-D385 VanDerWaalsContact CZ2-OD1 3.29Å; W375-D385 WeakPolarHBondContact CZ2-OD1 3.35Å; W375-D385 PolarHBondContact NE1-OD1 2.79Å; W375-D385 PolarHBondContact NE1-OD2 2.84Å; W375-A386 HydrophobicContact CH2-CB 3.71Å; W375-A386 HydrophobicContact CZ2-CB 4Å; W375-V389 HydrophobicContact CZ2-CB 3.9Å; W375-V389 HydrophobicContact CZ2-CG1 4.11Å; W375-M390 HydrophobicContact CH2-CB 3.54Å; W375-M390 HydrophobicContact CH2-CE 4.43Å; W375-M390 HydrophobicContact CH2-CG 4.41Å; W375-M390 HydrophobicContact CH2-SD 4.16Å; W375-M390 HydrophobicContact CZ3-CB 4.07Å; W375-M390 HydrophobicContact CZ3-CE 4.45Å; W375-M390 HydrophobicContact CZ3-SD 3.83Å | ||
| 376 | E | 92.6 | Very high | 96.5 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | trans | -100.2 | 177.7 | 166.7 | -101.9 | -78.6 | -144.9 | 0 | 0 | 110.9 | D272 H347 D348 T349 L378 D379 | D272-E376 HydrophobicContact CB-CB 4.45Å; H347-E376 HydrophobicContact CB-CG 4.13Å; H347-E376 WeakPolarHBondContact O-CG 3.34Å; H347-E376 VanDerWaalsContact O-OE2 3.12Å; D348-E376 VanDerWaalsContact CA-OE2 3.3Å; D348-E376 WeakPolarHBondContact CA-OE2 3.14Å; T349-E376 VanDerWaalsContact CG2-OE1 3.25Å; T349-E376 WeakPolarHBondContact CG2-OE1 3.31Å; T349-E376 PolarHBondContact N-OE2 2.95Å; T349-E376 PolarHBondContact OG1-OE1 3.19Å; T349-E376 PolarHBondContact OG1-OE2 2.97Å; E376-L378 VanDerWaalsContact C-N 3.3Å; E376-L378 PolarHBondContact O-N 3.32Å; E376-D379 VanDerWaalsContact CA-OD2 3.28Å; E376-D379 WeakPolarHBondContact CA-OD2 3.18Å; E376-D379 VanDerWaalsContact CB-OD2 3.24Å; E376-D379 WeakPolarHBondContact CB-OD2 3.5Å; E376-D379 PolarHBondContact N-OD2 3.24Å; E376-D379 WeakPolarHBondContact O-CB 2.97Å; E376-D379 PolarHBondContact O-N 3.1Å | ||
| 377 | H | 94.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.8 | -169.6 | -159.4 | 68.4 | 0 | 0 | 0 | 115.7 | H177 S178 C269 D348 F380 | H177-H377 AromaticContact NE2-CD2 3.89Å; H177-H377 AromaticContact NE2-NE2 3.89Å; H177-H377 PolarHBondContact NE2-O 3.23Å; S178-H377 WeakPolarHBondContact CB-NE2 3.49Å; S178-H377 PolarHBondContact OG-NE2 3.1Å; C269-H377 HydrophobicContact CB-CB 4.28Å; C269-H377 WeakPolarHBondContact O-CB 3.26Å; D348-H377 VanDerWaalsContact CG-ND1 3.3Å; D348-H377 WeakPolarHBondContact OD1-CB 3.32Å; D348-H377 IonicContact OD1-CG 3.95Å; D348-H377 IonicContact OD1-ND1 3.4Å; D348-H377 PolarHBondContact OD1-ND1 3.43Å; D348-H377 WeakPolarHBondContact OD2-CA 3.4Å; D348-H377 IonicContact OD2-CE1 3.51Å; D348-H377 IonicContact OD2-CG 3.97Å; D348-H377 IonicContact OD2-ND1 2.76Å; D348-H377 PolarHBondContact OD2-ND1 2.97Å; H377-F380 WeakPolarHBondContact O-CD2 3.23Å |
| 378 | L | 93 | Very high | 96.5 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -9.6 | -176.4 | -63.9 | 174.7 | 0 | 0 | 0 | 113.1 | F265 C269 G270 F271 E376 F380 I381 W382 | F265-L378 HydrophobicContact CB-CD1 3.75Å; F265-L378 HydrophobicContact CD1-CD1 4.21Å; F265-L378 HydrophobicContact CG-CD1 4.24Å; C269-L378 HydrophobicContact CB-CD1 4.05Å; C269-L378 HydrophobicContact CB-CD2 3.79Å; C269-L378 HydrophobicContact CB-CG 3.79Å; G270-L378 WeakPolarHBondContact O-CD1 3.36Å; G270-L378 VanDerWaalsContact O-CG 3.31Å; G270-L378 WeakPolarHBondContact O-CG 3.29Å; F271-L378 HydrophobicContact CB-CD1 4.23Å; E376-L378 VanDerWaalsContact C-N 3.3Å; E376-L378 PolarHBondContact O-N 3.32Å; L378-F380 PolarHBondContact O-N 2.91Å; L378-I381 HydrophobicContact CD2-CD1 3.86Å; L378-I381 HydrophobicContact CD2-CG1 4.41Å; L378-I381 WeakPolarHBondContact O-CG1 3.22Å; L378-I381 PolarHBondContact O-N 2.96Å; L378-I381 VanDerWaalsContact O-N 3.09Å; L378-W382 HydrophobicContact CB-CE3 4.15Å; L378-W382 HydrophobicContact CD1-CE3 4.17Å; L378-W382 HydrophobicContact CD1-CZ3 3.9Å; L378-W382 HydrophobicContact CD2-CE3 4.39Å; L378-W382 HydrophobicContact CD2-CZ3 4.15Å; L378-W382 HydrophobicContact CG-CE3 4.49Å; L378-W382 HydrophobicContact CG-CZ3 4.47Å; L378-W382 PolarHBondContact O-N 2.87Å |
| 379 | D | 95.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.9 | -29.7 | 177.6 | -69.4 | -78.2 | 0 | 0 | 0 | 112.4 | N275 W375 E376 I381 G383 | N275-D379 VanDerWaalsContact CB-OD1 3.25Å; N275-D379 WeakPolarHBondContact CB-OD1 3.41Å; N275-D379 PolarHBondContact ND2-OD1 3.26Å; W375-D379 HydrophobicContact CB-CB 3.95Å; W375-D379 HydrophobicContact CD2-CB 3.69Å; W375-D379 HydrophobicContact CE3-CB 3.97Å; W375-D379 HydrophobicContact CG-CB 3.69Å; E376-D379 VanDerWaalsContact CA-OD2 3.28Å; E376-D379 WeakPolarHBondContact CA-OD2 3.18Å; E376-D379 VanDerWaalsContact CB-OD2 3.24Å; E376-D379 WeakPolarHBondContact CB-OD2 3.5Å; E376-D379 PolarHBondContact N-OD2 3.24Å; E376-D379 WeakPolarHBondContact O-CB 2.97Å; E376-D379 PolarHBondContact O-N 3.1Å; D379-I381 PolarHBondContact O-N 3.28Å; D379-I381 VanDerWaalsContact O-N 3.16Å; D379-G383 VanDerWaalsContact O-CA 3.26Å; D379-G383 WeakPolarHBondContact O-CA 3.42Å; D379-G383 PolarHBondContact O-N 2.83Å |
| 380 | F | 97.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -22 | 175.9 | -63.8 | -85.8 | 0 | 0 | 0 | 114.5 | L204 A205 F343 W375 H377 L378 M390 | L204-F380 HydrophobicContact CB-CB 4.08Å; L204-F380 HydrophobicContact CB-CD1 3.84Å; L204-F380 HydrophobicContact CB-CG 4.17Å; A205-F380 HydrophobicContact CB-CD2 3.66Å; A205-F380 HydrophobicContact CB-CE2 3.72Å; A205-F380 HydrophobicContact CB-CG 4.23Å; A205-F380 HydrophobicContact CB-CZ 4.33Å; F343-F380 HydrophobicContact CB-CD1 4.27Å; F343-F380 HydrophobicContact CB-CE1 3.75Å; F343-F380 WeakPolarHBondContact O-CE1 3.39Å; W375-F380 AromaticContact CE3-CD1 3.81Å; W375-F380 HydrophobicContact CE3-CD1 3.81Å; W375-F380 HydrophobicContact CE3-CD2 4.22Å; W375-F380 AromaticContact CE3-CE1 3.62Å; W375-F380 HydrophobicContact CE3-CE1 3.62Å; W375-F380 HydrophobicContact CE3-CE2 4.07Å; W375-F380 HydrophobicContact CE3-CG 4.1Å; W375-F380 AromaticContact CE3-CZ 3.76Å; W375-F380 HydrophobicContact CE3-CZ 3.76Å; W375-F380 AromaticContact CZ3-CD1 3.63Å; W375-F380 HydrophobicContact CZ3-CD1 3.63Å; W375-F380 AromaticContact CZ3-CE1 3.79Å; W375-F380 HydrophobicContact CZ3-CE1 3.79Å; W375-F380 HydrophobicContact CZ3-CG 4.09Å; W375-F380 HydrophobicContact CZ3-CZ 4.38Å; H377-F380 WeakPolarHBondContact O-CD2 3.23Å; L378-F380 PolarHBondContact O-N 2.91Å; F380-M390 HydrophobicContact CD1-SD 3.83Å; F380-M390 WeakPolarHBondContact O-CE 3.17Å |
| 381 | I | 95.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 6% | 0.056 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -115.7 | -32.2 | 179.6 | 56.2 | 170.9 | 0 | 0 | 0 | 112.3 | N98 W99 H177 L378 D379 | N98-I381 HydrophobicContact CB-CD1 4.11Å; N98-I381 HydrophobicContact CB-CG2 4.42Å; N98-I381 WeakPolarHBondContact ND2-CD1 3.2Å; W99-I381 HydrophobicContact CE3-CG2 4.48Å; W99-I381 HydrophobicContact CH2-CG2 4.43Å; W99-I381 HydrophobicContact CZ3-CG2 4.15Å; H177-I381 HydrophobicContact CB-CG2 4.22Å; L378-I381 HydrophobicContact CD2-CD1 3.86Å; L378-I381 HydrophobicContact CD2-CG1 4.41Å; L378-I381 WeakPolarHBondContact O-CG1 3.22Å; L378-I381 PolarHBondContact O-N 2.96Å; L378-I381 VanDerWaalsContact O-N 3.09Å; D379-I381 PolarHBondContact O-N 3.28Å; D379-I381 VanDerWaalsContact O-N 3.16Å |
| 382 | W | 95.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -124.9 | -1.7 | -172.1 | -61.9 | -31.4 | 0 | 0 | 0 | 115.1 | T101 N102 F265 L276 Y284 C288 L378 L384 | T101-W382 PolarHBondContact OG1-NE1 3.1Å; T101-W382 VanDerWaalsContact OG1-NE1 3.12Å; N102-W382 WeakPolarHBondContact ND2-CA 3.32Å; F265-W382 HydrophobicContact CD1-CH2 4.23Å; F265-W382 AromaticContact CD1-CZ3 3.85Å; F265-W382 HydrophobicContact CD1-CZ3 3.85Å; F265-W382 AromaticContact CE1-CH2 3.75Å; F265-W382 HydrophobicContact CE1-CH2 3.75Å; F265-W382 AromaticContact CE1-CZ3 3.78Å; F265-W382 HydrophobicContact CE1-CZ3 3.78Å; F265-W382 HydrophobicContact CG-CZ3 4.29Å; F265-W382 HydrophobicContact CZ-CH2 4.11Å; F265-W382 HydrophobicContact CZ-CZ3 4.13Å; L276-W382 HydrophobicContact CD1-CB 3.65Å; L276-W382 HydrophobicContact CD1-CE3 4.27Å; L276-W382 HydrophobicContact CD1-CG 4.44Å; Y284-W382 HydrophobicContact CD1-CD2 4.11Å; Y284-W382 AromaticContact CD1-CE2 3.84Å; Y284-W382 HydrophobicContact CD1-CG 4.37Å; Y284-W382 HydrophobicContact CD1-CZ2 4.23Å; Y284-W382 AromaticContact CD1-NE1 3.88Å; Y284-W382 AromaticContact CE1-CD1 3.92Å; Y284-W382 HydrophobicContact CE1-CD2 4.36Å; Y284-W382 HydrophobicContact CE1-CG 4.14Å; Y284-W382 HydrophobicContact CG-CD2 4.23Å; Y284-W382 HydrophobicContact CG-CE3 4.35Å; Y284-W382 HydrophobicContact CG-CH2 4.49Å; Y284-W382 HydrophobicContact CG-CZ2 4.37Å; Y284-W382 HydrophobicContact CG-CZ3 4.47Å; C288-W382 HydrophobicContact CB-CH2 3.97Å; C288-W382 HydrophobicContact CB-CZ2 4.47Å; L378-W382 HydrophobicContact CB-CE3 4.15Å; L378-W382 HydrophobicContact CD1-CE3 4.17Å; L378-W382 HydrophobicContact CD1-CZ3 3.9Å; L378-W382 HydrophobicContact CD2-CE3 4.39Å; L378-W382 HydrophobicContact CD2-CZ3 4.15Å; L378-W382 HydrophobicContact CG-CE3 4.49Å; L378-W382 HydrophobicContact CG-CZ3 4.47Å; L378-W382 PolarHBondContact O-N 2.87Å; W382-L384 PolarHBondContact O-N 3.36Å |
| 383 | G | 95.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -57.8 | 128.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N275 D379 D385 A386 | N275-G383 CarbonylContact O-C 3.59Å; N275-G383 WeakPolarHBondContact O-CA 3.16Å; D379-G383 VanDerWaalsContact O-CA 3.26Å; D379-G383 WeakPolarHBondContact O-CA 3.42Å; D379-G383 PolarHBondContact O-N 2.83Å; G383-D385 PolarHBondContact O-N 3.32Å; G383-A386 VanDerWaalsContact O-CB 3.3Å; G383-A386 WeakPolarHBondContact O-CB 3.35Å; G383-A386 PolarHBondContact O-N 2.97Å |
| 384 | L | 96.4 | Very high | 96.5 | Very high | 78 Ų | 78 | 25.4 Ų | 25.4 | 41% | 0.408 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -31.7 | 179 | -73.5 | 172.1 | 0 | 0 | 0 | 111.9 | N275 N277 W382 Q388 | N275-L384 WeakPolarHBondContact O-CG 3.47Å; N275-L384 PolarHBondContact O-N 3.22Å; N275-L384 PolarHBondContact OD1-N 3.27Å; N277-L384 HydrophobicContact CB-CD2 3.83Å; W382-L384 PolarHBondContact O-N 3.36Å; L384-Q388 PolarHBondContact O-OE1 2.97Å |
| 385 | D | 97.1 | Very high | 96.6 | Very high | 33 Ų | 33 | 24 Ų | 24 | 18% | 0.176 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -2.6 | 178.6 | 72 | -6.4 | 0 | 0 | 0 | 114.5 | N275 H374 W375 G383 P387 Q388 V389 | N275-D385 PolarHBondContact ND2-OD1 3.37Å; N275-D385 PolarHBondContact OD1-N 2.78Å; N275-D385 PolarHBondContact OD1-OD1 2.82Å; H374-D385 IonicContact CD2-OD2 3.43Å; H374-D385 IonicContact CE1-OD2 3.99Å; H374-D385 PolarHBondContact CE1-OD2 3.46Å; H374-D385 IonicContact NE2-OD2 3.26Å; H374-D385 PolarHBondContact NE2-OD2 3.45Å; W375-D385 VanDerWaalsContact CZ2-OD1 3.29Å; W375-D385 WeakPolarHBondContact CZ2-OD1 3.35Å; W375-D385 PolarHBondContact NE1-OD1 2.79Å; W375-D385 PolarHBondContact NE1-OD2 2.84Å; G383-D385 PolarHBondContact O-N 3.32Å; D385-P387 VanDerWaalsContact C-N 3.31Å; D385-Q388 PolarHBondContact O-N 3.34Å; D385-Q388 PolarHBondContact O-OE1 3.45Å; D385-V389 HydrophobicContact CB-CG2 4.16Å; D385-V389 WeakPolarHBondContact O-CG2 3.36Å; D385-V389 PolarHBondContact O-N 3.43Å |
| 386 | A | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.6 | -37.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | W375 G383 Q388 V389 M390 F391 | W375-A386 HydrophobicContact CH2-CB 3.71Å; W375-A386 HydrophobicContact CZ2-CB 4Å; G383-A386 VanDerWaalsContact O-CB 3.3Å; G383-A386 WeakPolarHBondContact O-CB 3.35Å; G383-A386 PolarHBondContact O-N 2.97Å; A386-Q388 PolarHBondContact O-N 2.95Å; A386-V389 PolarHBondContact O-N 3Å; A386-M390 PolarHBondContact O-N 3.14Å; A386-F391 HydrophobicContact CB-CE1 3.97Å; A386-F391 HydrophobicContact CB-CZ 4.18Å; A386-F391 PolarHBondContact O-N 3.25Å; A386-F391 VanDerWaalsContact O-N 3.08Å |
| 387 | P | 97.8 | Very high | 97 | Very high | 27 Ų | 27 | 29.8 Ų | 29.8 | 18% | 0.175 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.1 | -24.5 | 175.1 | -24.6 | 37.4 | 0 | 0 | 0 | 114.9 | D385 F391 P392 | D385-P387 VanDerWaalsContact C-N 3.31Å; P387-F391 VanDerWaalsContact CA-CD2 3.46Å; P387-F391 HydrophobicContact CB-CD2 3.89Å; P387-F391 HydrophobicContact CB-CE2 4.13Å; P387-F391 HydrophobicContact CG-CD2 4.07Å; P387-F391 HydrophobicContact CG-CE2 3.78Å; P387-F391 HydrophobicContact CG-CZ 4.44Å; P387-P392 WeakPolarHBondContact O-CD 3.45Å |
| 388 | Q | 97.8 | Very high | 97.2 | Very high | 130 Ų | 130 | 29.8 Ų | 29.8 | 61% | 0.607 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -94.6 | -37.2 | -178.8 | -62.2 | 80.2 | -2.2 | 0 | 0 | 110.9 | L384 D385 A386 | L384-Q388 PolarHBondContact O-OE1 2.97Å; D385-Q388 PolarHBondContact O-N 3.34Å; D385-Q388 PolarHBondContact O-OE1 3.45Å; A386-Q388 PolarHBondContact O-N 2.95Å |
| 389 | V | 97.8 | Very high | 97.3 | Very high | 43 Ų | 43 | 36.4 Ų | 36.4 | 26% | 0.261 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -93.7 | -40.6 | -170.3 | 179.7 | 0 | 0 | 0 | 0 | 112.7 | Q370 I372 W375 D385 A386 | Q370-V389 PolarHBondContact NE2-O 3.15Å; I372-V389 HydrophobicContact CD1-CG1 3.69Å; I372-V389 HydrophobicContact CG1-CG1 3.9Å; I372-V389 HydrophobicContact CG2-CG1 4.01Å; W375-V389 HydrophobicContact CZ2-CB 3.9Å; W375-V389 HydrophobicContact CZ2-CG1 4.11Å; D385-V389 HydrophobicContact CB-CG2 4.16Å; D385-V389 WeakPolarHBondContact O-CG2 3.36Å; D385-V389 PolarHBondContact O-N 3.43Å; A386-V389 PolarHBondContact O-N 3Å |
| 390 | M | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -45.9 | -169.8 | -179.4 | -178.1 | 69.9 | 0 | 0 | 113.4 | L204 F343 W375 F380 A386 P392 S393 I394 | L204-M390 HydrophobicContact CD1-CE 4.01Å; L204-M390 HydrophobicContact CD1-SD 4.08Å; L204-M390 HydrophobicContact CD2-SD 3.74Å; L204-M390 HydrophobicContact CG-SD 4.44Å; F343-M390 HydrophobicContact CB-SD 4.49Å; F343-M390 HydrophobicContact CD1-CG 3.69Å; F343-M390 HydrophobicContact CD1-SD 4.31Å; F343-M390 HydrophobicContact CE1-CG 3.86Å; F343-M390 HydrophobicContact CG-CG 4.32Å; F343-M390 HydrophobicContact CG-SD 4.4Å; W375-M390 HydrophobicContact CH2-CB 3.54Å; W375-M390 HydrophobicContact CH2-CE 4.43Å; W375-M390 HydrophobicContact CH2-CG 4.41Å; W375-M390 HydrophobicContact CH2-SD 4.16Å; W375-M390 HydrophobicContact CZ3-CB 4.07Å; W375-M390 HydrophobicContact CZ3-CE 4.45Å; W375-M390 HydrophobicContact CZ3-SD 3.83Å; F380-M390 HydrophobicContact CD1-SD 3.83Å; F380-M390 WeakPolarHBondContact O-CE 3.17Å; A386-M390 PolarHBondContact O-N 3.14Å; M390-P392 VanDerWaalsContact C-CD 3.42Å; M390-S393 WeakPolarHBondContact O-CB 3.45Å; M390-S393 PolarHBondContact O-N 2.98Å; M390-S393 VanDerWaalsContact O-N 3.13Å; M390-I394 HydrophobicContact CE-CD1 4.14Å; M390-I394 HydrophobicContact CG-CD1 3.8Å; M390-I394 HydrophobicContact CG-CG1 4.26Å; M390-I394 PolarHBondContact O-N 3.39Å; M390-I394 VanDerWaalsContact O-N 3.16Å; M390-I394 HydrophobicContact SD-CD1 4.15Å |
| 391 | F | 98.3 | Very high | 97 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -37.8 | -173.6 | -63 | -0.3 | 0 | 0 | 0 | 113.6 | L108 V111 A386 P387 S393 I394 L395 | L108-F391 HydrophobicContact CB-CE1 3.98Å; L108-F391 HydrophobicContact CB-CE2 4.5Å; L108-F391 HydrophobicContact CB-CZ 3.92Å; L108-F391 HydrophobicContact CD1-CD1 3.82Å; L108-F391 HydrophobicContact CD1-CE1 4.01Å; L108-F391 HydrophobicContact CD1-CG 4.12Å; L108-F391 HydrophobicContact CD1-CZ 4.46Å; L108-F391 HydrophobicContact CG-CE1 4.47Å; V111-F391 HydrophobicContact CB-CD2 4.21Å; V111-F391 HydrophobicContact CG1-CD2 4.1Å; V111-F391 HydrophobicContact CG2-CD2 3.89Å; V111-F391 HydrophobicContact CG2-CE2 4.01Å; A386-F391 HydrophobicContact CB-CE1 3.97Å; A386-F391 HydrophobicContact CB-CZ 4.18Å; A386-F391 PolarHBondContact O-N 3.25Å; A386-F391 VanDerWaalsContact O-N 3.08Å; P387-F391 VanDerWaalsContact CA-CD2 3.46Å; P387-F391 HydrophobicContact CB-CD2 3.89Å; P387-F391 HydrophobicContact CB-CE2 4.13Å; P387-F391 HydrophobicContact CG-CD2 4.07Å; P387-F391 HydrophobicContact CG-CE2 3.78Å; P387-F391 HydrophobicContact CG-CZ 4.44Å; F391-S393 VanDerWaalsContact C-N 3.33Å; F391-S393 PolarHBondContact O-N 3.15Å; F391-I394 PolarHBondContact O-N 2.85Å; F391-L395 WeakPolarHBondContact O-CG 3.47Å; F391-L395 PolarHBondContact O-N 3.12Å |
| 392 | P | 98.3 | Very high | 96.1 | Very high | 68 Ų | 68 | 50 Ų | 50 | 44% | 0.442 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 177.2 | -24.5 | 36.6 | 0 | 0 | 0 | 112.8 | P387 M390 K396 | P387-P392 WeakPolarHBondContact O-CD 3.45Å; M390-P392 VanDerWaalsContact C-CD 3.42Å; P392-K396 VanDerWaalsContact O-CB 3.31Å; P392-K396 WeakPolarHBondContact O-CB 3.05Å; P392-K396 PolarHBondContact O-N 3.29Å |
| 393 | S | 98.3 | Very high | 96.1 | Very high | 24 Ų | 24 | 52.5 Ų | 52.5 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | Y368 Q370 M390 F391 K396 L397 | Y368-S393 PolarHBondContact OH-OG 2.89Å; Q370-S393 PolarHBondContact OE1-OG 3.22Å; M390-S393 WeakPolarHBondContact O-CB 3.45Å; M390-S393 PolarHBondContact O-N 2.98Å; M390-S393 VanDerWaalsContact O-N 3.13Å; F391-S393 VanDerWaalsContact C-N 3.33Å; F391-S393 PolarHBondContact O-N 3.15Å; S393-K396 PolarHBondContact O-N 2.96Å; S393-L397 WeakPolarHBondContact O-CB 3.32Å; S393-L397 WeakPolarHBondContact O-CG 3.17Å; S393-L397 PolarHBondContact O-N 3.46Å |
| 394 | I | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -52.1 | 176.4 | -66.7 | 175.6 | 0 | 0 | 0 | 110.6 | L108 I175 F202 L204 F343 M390 F391 K396 L397 L398 | L108-I394 HydrophobicContact CD1-CD1 4.33Å; L108-I394 HydrophobicContact CD2-CD1 4.26Å; I175-I394 HydrophobicContact CD1-CG2 3.94Å; F202-I394 HydrophobicContact CD1-CG1 4.16Å; F202-I394 HydrophobicContact CD1-CG2 4.29Å; F202-I394 HydrophobicContact CE1-CB 4.39Å; F202-I394 HydrophobicContact CE1-CG1 4.43Å; F202-I394 HydrophobicContact CE1-CG2 4.11Å; F202-I394 HydrophobicContact CZ-CG2 4.48Å; L204-I394 HydrophobicContact CD2-CD1 4.21Å; F343-I394 HydrophobicContact CE1-CG1 4.38Å; F343-I394 HydrophobicContact CE2-CG1 4.15Å; F343-I394 HydrophobicContact CZ-CG1 3.79Å; M390-I394 HydrophobicContact CE-CD1 4.14Å; M390-I394 HydrophobicContact CG-CD1 3.8Å; M390-I394 HydrophobicContact CG-CG1 4.26Å; M390-I394 PolarHBondContact O-N 3.39Å; M390-I394 VanDerWaalsContact O-N 3.16Å; M390-I394 HydrophobicContact SD-CD1 4.15Å; F391-I394 PolarHBondContact O-N 2.85Å; I394-K396 VanDerWaalsContact C-N 3.32Å; I394-K396 PolarHBondContact O-N 3.15Å; I394-L397 PolarHBondContact O-N 3.31Å; I394-L398 HydrophobicContact CG2-CD1 3.83Å; I394-L398 HydrophobicContact CG2-CG 4.25Å; I394-L398 VanDerWaalsContact O-CG 3.31Å; I394-L398 WeakPolarHBondContact O-CG 3.24Å; I394-L398 PolarHBondContact O-N 2.95Å |
| 395 | L | 98.3 | Very high | 96.1 | Very high | 48 Ų | 48 | 53.9 Ų | 53.9 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | -179 | -70.1 | 175.3 | 0 | 0 | 0 | 112.2 | V111 L112 A115 Y117 F391 L398 Q399 | V111-L395 HydrophobicContact CG1-CD1 4.05Å; L112-L395 HydrophobicContact CD2-CD2 3.98Å; A115-L395 HydrophobicContact CB-CD2 3.56Å; Y117-L395 HydrophobicContact CE2-CD2 4.21Å; F391-L395 WeakPolarHBondContact O-CG 3.47Å; F391-L395 PolarHBondContact O-N 3.12Å; L395-L398 HydrophobicContact CD2-CD1 4.5Å; L395-L398 PolarHBondContact O-N 2.9Å; L395-Q399 PolarHBondContact O-N 2.94Å |
| 396 | K | 98.3 | Very high | 96.1 | Very high | 124 Ų | 124 | 55.1 Ų | 55.1 | 54% | 0.539 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 175.7 | -179.5 | -177.7 | 169.8 | -173.6 | 0 | 111.5 | P392 S393 I394 L398 Q399 E400 | P392-K396 VanDerWaalsContact O-CB 3.31Å; P392-K396 WeakPolarHBondContact O-CB 3.05Å; P392-K396 PolarHBondContact O-N 3.29Å; S393-K396 PolarHBondContact O-N 2.96Å; I394-K396 VanDerWaalsContact C-N 3.32Å; I394-K396 PolarHBondContact O-N 3.15Å; K396-L398 PolarHBondContact O-N 2.85Å; K396-Q399 PolarHBondContact O-N 3.49Å; K396-E400 WeakPolarHBondContact CE-OE1 3.46Å; K396-E400 IonicContact NZ-OE1 3.82Å; K396-E400 WeakPolarHBondContact O-CG 3.24Å; K396-E400 PolarHBondContact O-N 3.46Å |
| 397 | L | 98.4 | Very high | 96 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.9 | -38.7 | -179.7 | -74.1 | 167.6 | 0 | 0 | 0 | 112.3 | L200 F202 A341 F343 Y368 S393 I394 Q399 E400 H401 | L200-L397 HydrophobicContact CD2-CB 4.11Å; F202-L397 HydrophobicContact CE1-CB 3.67Å; F202-L397 HydrophobicContact CE1-CD1 3.83Å; F202-L397 HydrophobicContact CE1-CG 4.43Å; F202-L397 HydrophobicContact CZ-CB 3.85Å; A341-L397 HydrophobicContact CB-CD1 3.86Å; F343-L397 HydrophobicContact CZ-CD1 4.42Å; Y368-L397 HydrophobicContact CD1-CD1 3.77Å; Y368-L397 HydrophobicContact CD2-CD1 4.4Å; Y368-L397 HydrophobicContact CE1-CD1 4.32Å; Y368-L397 HydrophobicContact CG-CD1 3.8Å; Y368-L397 HydrophobicContact CG-CD2 4.47Å; S393-L397 WeakPolarHBondContact O-CB 3.32Å; S393-L397 WeakPolarHBondContact O-CG 3.17Å; S393-L397 PolarHBondContact O-N 3.46Å; I394-L397 PolarHBondContact O-N 3.31Å; L397-Q399 VanDerWaalsContact C-N 3.3Å; L397-Q399 PolarHBondContact O-N 2.8Å; L397-E400 PolarHBondContact O-N 3.18Å; L397-H401 PolarHBondContact O-N 3.07Å; L397-H401 PolarHBondContact O-ND1 3.33Å |
| 398 | L | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -40 | 173.5 | -71.5 | 170.6 | 0 | 0 | 0 | 111.5 | V86 L112 Y117 F173 F202 I394 L395 K396 H402 | V86-L398 HydrophobicContact CG2-CD2 4.35Å; L112-L398 HydrophobicContact CD2-CD1 3.38Å; Y117-L398 HydrophobicContact CD2-CD1 4.45Å; Y117-L398 HydrophobicContact CE1-CB 4.03Å; Y117-L398 HydrophobicContact CE1-CD1 4.3Å; Y117-L398 HydrophobicContact CE2-CB 4.38Å; Y117-L398 HydrophobicContact CE2-CD1 4.01Å; Y117-L398 WeakPolarHBondContact OH-CB 3.14Å; F173-L398 HydrophobicContact CB-CD2 3.74Å; F173-L398 HydrophobicContact CD1-CD2 3.4Å; F173-L398 HydrophobicContact CD2-CD2 3.72Å; F173-L398 HydrophobicContact CE1-CD2 3.8Å; F173-L398 HydrophobicContact CE2-CD2 4.09Å; F173-L398 HydrophobicContact CG-CD2 3.33Å; F173-L398 HydrophobicContact CZ-CD2 4.11Å; F202-L398 HydrophobicContact CE2-CD2 3.48Å; F202-L398 VanDerWaalsContact CE2-CD2 3.48Å; F202-L398 HydrophobicContact CE2-CG 4.03Å; F202-L398 HydrophobicContact CZ-CD2 3.71Å; F202-L398 HydrophobicContact CZ-CG 3.74Å; I394-L398 HydrophobicContact CG2-CD1 3.83Å; I394-L398 HydrophobicContact CG2-CG 4.25Å; I394-L398 VanDerWaalsContact O-CG 3.31Å; I394-L398 WeakPolarHBondContact O-CG 3.24Å; I394-L398 PolarHBondContact O-N 2.95Å; L395-L398 HydrophobicContact CD2-CD1 4.5Å; L395-L398 PolarHBondContact O-N 2.9Å; K396-L398 PolarHBondContact O-N 2.85Å; L398-H402 PolarHBondContact O-N 2.9Å |
| 399 | Q | 95.2 | Very high | 95.7 | Very high | 148 Ų | 148 | 55.6 Ų | 55.6 | 69% | 0.692 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -69.9 | -39.7 | 177.3 | -172.9 | 178.5 | 3.7 | 0 | 0 | 112.4 | L395 K396 L397 H401 H402 | L395-Q399 PolarHBondContact O-N 2.94Å; K396-Q399 PolarHBondContact O-N 3.49Å; L397-Q399 VanDerWaalsContact C-N 3.3Å; L397-Q399 PolarHBondContact O-N 2.8Å; Q399-H401 PolarHBondContact O-N 3.46Å; Q399-H402 WeakPolarHBondContact O-CB 3.4Å; Q399-H402 PolarHBondContact O-N 3.21Å |
| 400 | E | 95.8 | Very high | 95.6 | Very high | 118 Ų | 118 | 56.5 Ų | 56.5 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.8 | -23.5 | 178.1 | -73.9 | 173.9 | 169.3 | 0 | 0 | 113.1 | K396 L397 | K396-E400 WeakPolarHBondContact CE-OE1 3.46Å; K396-E400 IonicContact NZ-OE1 3.82Å; K396-E400 WeakPolarHBondContact O-CG 3.24Å; K396-E400 PolarHBondContact O-N 3.46Å; L397-E400 PolarHBondContact O-N 3.18Å |
| 401 | H | 91.6 | Very high | 95.3 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 27% | 0.269 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 10.2 | 179.4 | -64.7 | 75.5 | 0 | 0 | 0 | 112.9 | F173 R199 L200 L397 Q399 | F173-H401 HydrophobicContact CE1-CB 3.89Å; F173-H401 HydrophobicContact CZ-CB 4.26Å; R199-H401 WeakPolarHBondContact CD-O 3.5Å; R199-H401 HydrophobicContact CG-CB 4.46Å; R199-H401 PolarHBondContact NH1-O 2.83Å; L200-H401 HydrophobicContact CD2-CB 4.4Å; L397-H401 PolarHBondContact O-N 3.07Å; L397-H401 PolarHBondContact O-ND1 3.33Å; Q399-H401 PolarHBondContact O-N 3.46Å |
| 402 | H | 75.6 | Confident | 95.1 | Very high | 128 Ų | 128 | 66.2 Ų | 66.2 | 59% | 0.593 | 32% | 0.324 | S | S | * | . | trans | -71.9 | 0 | -178.3 | -164.7 | -68.8 | 0 | 0 | 0 | 113.8 | S84 R199 L398 Q399 | S84-H402 PolarHBondContact OG-NE2 3.19Å; S84-H402 VanDerWaalsContact OG-NE2 3.14Å; R199-H402 PolarHBondContact NH1-OXT 3.06Å; L398-H402 PolarHBondContact O-N 2.9Å; Q399-H402 WeakPolarHBondContact O-CB 3.4Å; Q399-H402 PolarHBondContact O-N 3.21Å |
Retrieved 402 of 402 residues in 80.4 ms
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