| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.1 | Very low | 35.3 | Very low | 173 Ų | 173 | 139 Ų | 139 | 85% | 0.852 | 64% | 0.637 | S | S | * | * | 0 | -58.7 | 0 | -82.8 | 170.5 | 167.5 | 0 | 0 | 114.7 | I3 W4 L1535 | M1-I3 PolarHBondContact O-N 3.48Å; M1-W4 PolarHBondContact O-N 2.79Å; M1-L1535 HydrophobicContact CE-CD2 3.99Å; M1-L1535 VanDerWaalsContact CE-OXT 3.3Å; M1-L1535 WeakPolarHBondContact CE-OXT 3.19Å | |||
| 2 | F | 32.1 | Very low | 35.4 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 82% | 0.82 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -51.2 | -32.7 | -175.1 | -103.4 | -92.6 | 0 | 0 | 0 | 116 | W4 | F2-W4 VanDerWaalsContact C-N 3.35Å; F2-W4 PolarHBondContact O-N 2.77Å |
| 3 | I | 37.2 | Very low | 35.6 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 71% | 0.708 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.7 | -26.5 | -178.4 | -61.4 | 171.4 | 0 | 0 | 0 | 112.8 | M1 I6 | M1-I3 PolarHBondContact O-N 3.48Å; I3-I6 PolarHBondContact O-N 2.84Å |
| 4 | W | 31 | Very low | 35.7 | Very low | 224 Ų | 224 | 132.9 Ų | 132.9 | 85% | 0.848 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.1 | -35.5 | -178.8 | -122.2 | 23.8 | 0 | 0 | 0 | 112.5 | M1 F2 I6 Y7 F8 | M1-W4 PolarHBondContact O-N 2.79Å; F2-W4 VanDerWaalsContact C-N 3.35Å; F2-W4 PolarHBondContact O-N 2.77Å; W4-I6 VanDerWaalsContact C-N 3.3Å; W4-I6 PolarHBondContact O-N 3.4Å; W4-Y7 PolarHBondContact O-N 3.24Å; W4-F8 PolarHBondContact O-N 2.93Å |
| 5 | N | 32.9 | Very low | 35.7 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 63% | 0.626 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65 | -32.6 | 174 | -96.3 | -31.7 | 0 | 0 | 0 | 112.7 | Y7 F8 I9 | N5-Y7 VanDerWaalsContact C-N 3.27Å; N5-Y7 PolarHBondContact O-N 3.13Å; N5-F8 PolarHBondContact O-N 3.24Å; N5-I9 WeakPolarHBondContact O-CD1 3.45Å; N5-I9 VanDerWaalsContact O-CG1 3.31Å; N5-I9 WeakPolarHBondContact O-CG1 3.29Å; N5-I9 PolarHBondContact O-N 3.02Å |
| 6 | I | 40 | Very low | 35.7 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 51% | 0.508 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.4 | -31.9 | 177.4 | -63.3 | 170.7 | 0 | 0 | 0 | 111.2 | I3 W4 R10 | I3-I6 PolarHBondContact O-N 2.84Å; W4-I6 VanDerWaalsContact C-N 3.3Å; W4-I6 PolarHBondContact O-N 3.4Å; I6-R10 WeakPolarHBondContact O-CB 3.12Å; I6-R10 PolarHBondContact O-N 3.08Å |
| 7 | Y | 34.3 | Very low | 35.9 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 42% | 0.416 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.8 | -41.7 | 177.2 | -115.5 | -98.6 | 0 | 0 | 0 | 113 | W4 N5 R10 N11 H806 | W4-Y7 PolarHBondContact O-N 3.24Å; N5-Y7 VanDerWaalsContact C-N 3.27Å; N5-Y7 PolarHBondContact O-N 3.13Å; Y7-R10 PolarHBondContact O-N 3.42Å; Y7-N11 PolarHBondContact O-N 3.17Å; Y7-H806 PolarHBondContact OH-CD2 3.01Å; Y7-H806 VanDerWaalsContact OH-CD2 3.29Å; Y7-H806 PolarHBondContact OH-NE2 3.49Å |
| 8 | F | 32.4 | Very low | 36 | Very low | 159 Ų | 159 | 125.4 Ų | 125.4 | 70% | 0.697 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.7 | -40.1 | -179.8 | -135.6 | -94.1 | 0 | 0 | 0 | 112.1 | W4 N5 R10 L12 | W4-F8 PolarHBondContact O-N 2.93Å; N5-F8 PolarHBondContact O-N 3.24Å; F8-R10 VanDerWaalsContact C-N 3.28Å; F8-R10 PolarHBondContact O-N 3.38Å; F8-L12 PolarHBondContact O-N 2.76Å |
| 9 | I | 40.8 | Very low | 36.1 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 54% | 0.538 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.1 | -27.7 | 177.9 | -66.3 | 167.3 | 0 | 0 | 0 | 112 | N5 | N5-I9 WeakPolarHBondContact O-CD1 3.45Å; N5-I9 VanDerWaalsContact O-CG1 3.31Å; N5-I9 WeakPolarHBondContact O-CG1 3.29Å; N5-I9 PolarHBondContact O-N 3.02Å |
| 10 | R | 36.5 | Very low | 36.2 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 46% | 0.464 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -80.1 | -30.6 | -177.6 | -158.8 | 165.6 | -177.7 | 158.8 | -3.2 | 113.5 | I6 Y7 F8 M809 | I6-R10 WeakPolarHBondContact O-CB 3.12Å; I6-R10 PolarHBondContact O-N 3.08Å; Y7-R10 PolarHBondContact O-N 3.42Å; F8-R10 VanDerWaalsContact C-N 3.28Å; F8-R10 PolarHBondContact O-N 3.38Å; R10-M809 PolarHBondContact NH1-SD 3.04Å |
| 11 | N | 37.5 | Very low | 36.2 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -78.8 | -30.9 | 174.6 | -80.3 | -16.2 | 0 | 0 | 0 | 113.3 | Y7 R13 F14 | Y7-N11 PolarHBondContact O-N 3.17Å; N11-R13 VanDerWaalsContact C-N 3.27Å; N11-R13 PolarHBondContact O-N 3.11Å; N11-F14 PolarHBondContact O-N 2.04Å |
| 12 | L | 36.6 | Very low | 36.3 | Very low | 121 Ų | 121 | 118.7 Ų | 118.7 | 63% | 0.634 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.5 | -35.7 | 172.2 | -115 | 73.4 | 0 | 0 | 0 | 112.4 | F8 F14 C16 | F8-L12 PolarHBondContact O-N 2.76Å; L12-F14 VanDerWaalsContact C-N 3.31Å; L12-F14 PolarHBondContact O-N 2.91Å; L12-C16 PolarHBondContact O-N 3.43Å |
| 13 | R | 38.1 | Very low | 36.5 | Very low | 148 Ų | 148 | 113.1 Ų | 113.1 | 56% | 0.558 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.1 | -26 | 177 | -82.1 | -178.2 | 161.3 | 171 | -5 | 113.9 | N11 F17 | N11-R13 VanDerWaalsContact C-N 3.27Å; N11-R13 PolarHBondContact O-N 3.11Å; R13-F17 WeakPolarHBondContact O-CD2 3.44Å |
| 14 | F | 37.1 | Very low | 36.3 | Very low | 63 Ų | 63 | 113.2 Ų | 113.2 | 28% | 0.276 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -79.3 | -30.2 | 179.1 | -101.7 | -85.3 | 0 | 0 | 0 | 113.7 | N11 L12 C16 I805 | N11-F14 PolarHBondContact O-N 2.04Å; L12-F14 VanDerWaalsContact C-N 3.31Å; L12-F14 PolarHBondContact O-N 2.91Å; F14-C16 VanDerWaalsContact C-N 3.31Å; F14-I805 HydrophobicContact CE1-CD1 4.5Å; F14-I805 HydrophobicContact CZ-CD1 3.89Å |
| 15 | L | 35.3 | Very low | 36.3 | Very low | 136 Ų | 136 | 111 Ų | 111 | 71% | 0.712 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.6 | -29.5 | 170.3 | -104.1 | 81.9 | 0 | 0 | 0 | 112.3 | ||
| 16 | C | 36.1 | Very low | 36.4 | Very low | 59 Ų | 59 | 108.7 Ų | 108.7 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.4 | -50.5 | 172.3 | -75 | 0 | 0 | 0 | 0 | 112 | L12 F14 C18 L19 Y20 | L12-C16 PolarHBondContact O-N 3.43Å; F14-C16 VanDerWaalsContact C-N 3.31Å; C16-C18 VanDerWaalsContact C-N 3.34Å; C16-C18 PolarHBondContact O-N 3.12Å; C16-L19 CarbonylContact O-C 3.58Å; C16-L19 WeakPolarHBondContact O-CA 3.02Å; C16-L19 WeakPolarHBondContact O-CB 3.36Å; C16-L19 PolarHBondContact O-N 2.63Å; C16-Y20 HydrophobicContact CB-CD2 4.1Å; C16-Y20 HydrophobicContact CB-CE2 4.09Å; C16-Y20 VanDerWaalsContact O-CD2 3.29Å; C16-Y20 WeakPolarHBondContact O-CD2 3.43Å; C16-Y20 PolarHBondContact O-N 3.38Å |
| 17 | F | 39.1 | Very low | 36 | Very low | 111 Ų | 111 | 106.4 Ų | 106.4 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -33.7 | -168.3 | -91.5 | -84 | 0 | 0 | 0 | 115.1 | R13 Y20 G21 M885 | R13-F17 WeakPolarHBondContact O-CD2 3.44Å; F17-Y20 PolarHBondContact O-N 2.79Å; F17-G21 PolarHBondContact O-N 2.93Å; F17-M885 HydrophobicContact CD1-CE 4.22Å; F17-M885 HydrophobicContact CE1-CE 3.67Å; F17-M885 HydrophobicContact CZ-CE 3.96Å |
| 18 | C | 37.2 | Very low | 35.9 | Very low | 91 Ų | 91 | 106.4 Ų | 106.4 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.2 | -30.2 | 173.6 | -67.1 | 0 | 0 | 0 | 0 | 113 | C16 | C16-C18 VanDerWaalsContact C-N 3.34Å; C16-C18 PolarHBondContact O-N 3.12Å |
| 19 | L | 37.7 | Very low | 35.8 | Very low | 99 Ų | 99 | 103.6 Ų | 103.6 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 169.3 | -81 | 163.2 | 0 | 0 | 0 | 110.9 | C16 G21 F22 Y23 | C16-L19 CarbonylContact O-C 3.58Å; C16-L19 WeakPolarHBondContact O-CA 3.02Å; C16-L19 WeakPolarHBondContact O-CB 3.36Å; C16-L19 PolarHBondContact O-N 2.63Å; L19-G21 PolarHBondContact O-N 2.66Å; L19-F22 PolarHBondContact O-N 3.02Å; L19-Y23 HydrophobicContact CB-CD2 4.38Å; L19-Y23 VanDerWaalsContact O-CB 3.27Å; L19-Y23 WeakPolarHBondContact O-CB 3.44Å; L19-Y23 PolarHBondContact O-N 2.83Å |
| 20 | Y | 39.1 | Very low | 35.3 | Very low | 96 Ų | 96 | 101.6 Ų | 101.6 | 38% | 0.376 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -25.5 | -179.3 | -95.1 | -104.3 | 0 | 0 | 0 | 114.5 | C16 F17 Y24 | C16-Y20 HydrophobicContact CB-CD2 4.1Å; C16-Y20 HydrophobicContact CB-CE2 4.09Å; C16-Y20 VanDerWaalsContact O-CD2 3.29Å; C16-Y20 WeakPolarHBondContact O-CD2 3.43Å; C16-Y20 PolarHBondContact O-N 3.38Å; F17-Y20 PolarHBondContact O-N 2.79Å; Y20-Y24 PolarHBondContact O-N 3.13Å |
| 21 | G | 36.3 | Very low | 35 | Very low | 54 Ų | 54 | 103.3 Ų | 103.3 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.5 | -48.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | F17 L19 Y23 Y24 | F17-G21 PolarHBondContact O-N 2.93Å; L19-G21 PolarHBondContact O-N 2.66Å; G21-Y23 VanDerWaalsContact C-N 3.35Å; G21-Y24 PolarHBondContact O-N 2.86Å |
| 22 | F | 35.1 | Very low | 34.8 | Very low | 159 Ų | 159 | 100.1 Ų | 100.1 | 70% | 0.697 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.9 | -38.4 | 171.5 | -112.7 | -96.3 | 0 | 0 | 0 | 111.3 | L19 Y24 F25 T26 | L19-F22 PolarHBondContact O-N 3.02Å; F22-Y24 PolarHBondContact O-N 2.78Å; F22-F25 PolarHBondContact O-N 3.35Å; F22-T26 PolarHBondContact O-N 2.72Å; F22-T26 VanDerWaalsContact O-N 3.15Å; F22-T26 PolarHBondContact O-OG1 3.14Å |
| 23 | Y | 36 | Very low | 34.7 | Very low | 69 Ų | 69 | 97.6 Ų | 97.6 | 27% | 0.271 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -22.4 | 173.4 | -107.6 | -53.7 | 0 | 0 | 0 | 112.9 | L19 G21 T26 L27 P539 | L19-Y23 HydrophobicContact CB-CD2 4.38Å; L19-Y23 VanDerWaalsContact O-CB 3.27Å; L19-Y23 WeakPolarHBondContact O-CB 3.44Å; L19-Y23 PolarHBondContact O-N 2.83Å; G21-Y23 VanDerWaalsContact C-N 3.35Å; Y23-T26 WeakPolarHBondContact CA-OG1 3.31Å; Y23-L27 HydrophobicContact CD1-CD1 3.23Å; Y23-L27 HydrophobicContact CE1-CD1 3.81Å; Y23-L27 HydrophobicContact CG-CD1 3.96Å; Y23-L27 WeakPolarHBondContact O-CA 2.99Å; Y23-L27 WeakPolarHBondContact O-CB 3.25Å; Y23-L27 VanDerWaalsContact O-CD1 3.3Å; Y23-L27 WeakPolarHBondContact O-CD1 3.19Å; Y23-L27 PolarHBondContact O-N 3.03Å; Y23-P539 HydrophobicContact CE2-CG 4.43Å |
| 24 | Y | 33.6 | Very low | 34.6 | Very low | 140 Ų | 140 | 95.5 Ų | 95.5 | 55% | 0.549 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -75.5 | -30.4 | 176 | -116.3 | -93.3 | 0 | 0 | 0 | 112.9 | Y20 G21 F22 V28 | Y20-Y24 PolarHBondContact O-N 3.13Å; G21-Y24 PolarHBondContact O-N 2.86Å; F22-Y24 PolarHBondContact O-N 2.78Å; Y24-V28 WeakPolarHBondContact O-CG2 3.35Å |
| 25 | F | 31.2 | Very low | 35.2 | Very low | 179 Ų | 179 | 99.5 Ų | 99.5 | 79% | 0.785 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -81.4 | -24.1 | 174.7 | -135.8 | -94.7 | 0 | 0 | 0 | 112.2 | F22 | F22-F25 PolarHBondContact O-N 3.35Å |
| 26 | T | 33.9 | Very low | 36.1 | Very low | 67 Ų | 67 | 95.4 Ų | 95.4 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -93.8 | -21.7 | 172 | 62.5 | 0 | 0 | 0 | 0 | 114.5 | F22 Y23 L29 S30 | F22-T26 PolarHBondContact O-N 2.72Å; F22-T26 VanDerWaalsContact O-N 3.15Å; F22-T26 PolarHBondContact O-OG1 3.14Å; Y23-T26 WeakPolarHBondContact CA-OG1 3.31Å; T26-L29 CarbonylContact O-C 3.59Å; T26-L29 WeakPolarHBondContact O-CA 3.39Å; T26-L29 PolarHBondContact O-N 2.8Å; T26-L29 VanDerWaalsContact O-N 3.11Å; T26-S30 PolarHBondContact O-N 3.39Å; T26-S30 PolarHBondContact O-OG 3.21Å |
| 27 | L | 32.6 | Very low | 37.4 | Very low | 51 Ų | 51 | 95.6 Ų | 95.6 | 27% | 0.267 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 174 | -113.2 | 66.2 | 0 | 0 | 0 | 111.8 | Y23 L29 S30 Y31 | Y23-L27 HydrophobicContact CD1-CD1 3.23Å; Y23-L27 HydrophobicContact CE1-CD1 3.81Å; Y23-L27 HydrophobicContact CG-CD1 3.96Å; Y23-L27 WeakPolarHBondContact O-CA 2.99Å; Y23-L27 WeakPolarHBondContact O-CB 3.25Å; Y23-L27 VanDerWaalsContact O-CD1 3.3Å; Y23-L27 WeakPolarHBondContact O-CD1 3.19Å; Y23-L27 PolarHBondContact O-N 3.03Å; L27-L29 PolarHBondContact O-N 2.77Å; L27-S30 WeakPolarHBondContact CA-OG 3.2Å; L27-S30 PolarHBondContact O-N 3.1Å; L27-Y31 HydrophobicContact CB-CD2 4.3Å; L27-Y31 HydrophobicContact CD2-CD2 4.19Å; L27-Y31 HydrophobicContact CD2-CE2 3.68Å; L27-Y31 HydrophobicContact CG-CD2 3.81Å; L27-Y31 HydrophobicContact CG-CE2 3.68Å; L27-Y31 PolarHBondContact O-N 3.2Å |
| 28 | V | 32 | Very low | 39.2 | Very low | 106 Ų | 106 | 90.9 Ų | 90.9 | 64% | 0.642 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18 | 176.4 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | Y24 | Y24-V28 WeakPolarHBondContact O-CG2 3.35Š|
| 29 | L | 29.3 | Very low | 41.3 | Very low | 100 Ų | 100 | 86.7 Ų | 86.7 | 52% | 0.524 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -5.6 | 172 | -72.3 | 165.8 | 0 | 0 | 0 | 114.4 | T26 L27 | T26-L29 CarbonylContact O-C 3.59Å; T26-L29 WeakPolarHBondContact O-CA 3.39Å; T26-L29 PolarHBondContact O-N 2.8Å; T26-L29 VanDerWaalsContact O-N 3.11Å; L27-L29 PolarHBondContact O-N 2.77Å |
| 30 | S | 30.6 | Very low | 43 | Very low | 64 Ų | 64 | 84.4 Ų | 84.4 | 45% | 0.448 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -5 | -179.6 | 73.8 | 0 | 0 | 0 | 0 | 115.1 | T26 L27 | T26-S30 PolarHBondContact O-N 3.39Å; T26-S30 PolarHBondContact O-OG 3.21Å; L27-S30 WeakPolarHBondContact CA-OG 3.2Å; L27-S30 PolarHBondContact O-N 3.1Å |
| 31 | Y | 31.6 | Very low | 44.4 | Very low | 159 Ų | 159 | 82.2 Ų | 82.2 | 62% | 0.624 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -90.1 | 8.6 | -175.1 | -103.9 | -93.1 | 0 | 0 | 0 | 116.8 | L27 | L27-Y31 HydrophobicContact CB-CD2 4.3Å; L27-Y31 HydrophobicContact CD2-CD2 4.19Å; L27-Y31 HydrophobicContact CD2-CE2 3.68Å; L27-Y31 HydrophobicContact CG-CD2 3.81Å; L27-Y31 HydrophobicContact CG-CE2 3.68Å; L27-Y31 PolarHBondContact O-N 3.2Å |
| 32 | S | 33 | Very low | 45.6 | Very low | 31 Ų | 31 | 82 Ų | 82 | 22% | 0.217 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -105.9 | -14.8 | -178.6 | 52.9 | 0 | 0 | 0 | 0 | 115.5 | S34 D770 | S32-S34 VanDerWaalsContact C-N 3.34Å; S32-D770 WeakPolarHBondContact CB-OD1 3.25Å; S32-D770 PolarHBondContact OG-OD1 3.29Å |
| 33 | F | 34.7 | Very low | 46.2 | Very low | 67 Ų | 67 | 78.6 Ų | 78.6 | 29% | 0.294 | 40% | 0.398 | S | S | . | . | trans | -83.9 | -5.3 | 179.7 | -106.8 | -78.5 | 0 | 0 | 0 | 114.6 | E35 Q36 I38 L593 L768 | F33-E35 PolarHBondContact O-N 2.94Å; F33-Q36 PolarHBondContact O-N 3.01Å; F33-I38 HydrophobicContact CD1-CG1 4.07Å; F33-I38 HydrophobicContact CE1-CD1 4.48Å; F33-I38 HydrophobicContact CE1-CG1 3.67Å; F33-I38 HydrophobicContact CZ-CG1 4.29Å; F33-L593 HydrophobicContact CE1-CD1 4.45Å; F33-L593 HydrophobicContact CE2-CD1 3.66Å; F33-L593 HydrophobicContact CE2-CD2 4Å; F33-L593 HydrophobicContact CE2-CG 4.49Å; F33-L593 HydrophobicContact CZ-CD1 3.35Å; F33-L593 HydrophobicContact CZ-CD2 3.8Å; F33-L593 HydrophobicContact CZ-CG 4.16Å; F33-L768 HydrophobicContact CE1-CB 4.5Å; F33-L768 HydrophobicContact CE1-CD1 4.31Å; F33-L768 HydrophobicContact CE1-CD2 4.14Å | ||
| 34 | S | 35.1 | Very low | 46.7 | Very low | 105 Ų | 105 | 78.7 Ų | 78.7 | 73% | 0.734 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 1.1 | -162 | -169.3 | 0 | 0 | 0 | 0 | 117.6 | S32 | S32-S34 VanDerWaalsContact C-N 3.34Š|
| 35 | E | 49 | Very low | 47.5 | Very low | 146 Ų | 146 | 73.3 Ų | 73.3 | 68% | 0.682 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | -7 | -179.6 | -71.4 | -178.9 | 171.9 | 0 | 0 | 114.4 | F33 K744 | F33-E35 PolarHBondContact O-N 2.94Å; E35-K744 VanDerWaalsContact CD-NZ 3.31Å; E35-K744 IonicContact OE1-NZ 2.66Å; E35-K744 PolarHBondContact OE1-NZ 2.91Å; E35-K744 IonicContact OE2-NZ 3.67Å; E35-K744 PolarHBondContact OE2-NZ 2.94Å |
| 36 | Q | 55.2 | Low | 48.7 | Very low | 51 Ų | 51 | 69.1 Ų | 69.1 | 24% | 0.238 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -136.2 | 129.9 | -177.2 | -64.7 | -166.8 | 19 | 0 | 0 | 114 | F33 L768 | F33-Q36 PolarHBondContact O-N 3.01Å; Q36-L768 HydrophobicContact CB-CD2 3.71Å |
| 37 | P | 63.3 | Low | 50.3 | Low | 63 Ų | 63 | 66.6 Ų | 66.6 | 41% | 0.409 | 36% | 0.357 | S | S | . | . | trans | -68.1 | 139 | 175.9 | 27.5 | -33.7 | 0 | 0 | 0 | 111.8 | R40 | P37-R40 HydrophobicContact CG-CG 4.18Å; P37-R40 PolarHBondContact O-NE 3.06Å | ||
| 38 | I | 76.7 | Confident | 52 | Low | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.062 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -66.9 | -63.7 | 178.5 | -57.9 | 169.7 | 0 | 0 | 0 | 109.1 | F33 I490 L542 Q543 M590 P591 | F33-I38 HydrophobicContact CD1-CG1 4.07Å; F33-I38 HydrophobicContact CE1-CD1 4.48Å; F33-I38 HydrophobicContact CE1-CG1 3.67Å; F33-I38 HydrophobicContact CZ-CG1 4.29Å; I38-I490 HydrophobicContact CG2-CD1 4.36Å; I38-L542 HydrophobicContact CD1-CB 3.81Å; I38-Q543 VanDerWaalsContact N-OE1 3.08Å; I38-M590 HydrophobicContact CG2-CE 3.44Å; I38-M590 VanDerWaalsContact CG2-CE 3.44Å; I38-M590 HydrophobicContact CG2-CG 4.13Å; I38-M590 HydrophobicContact CG2-SD 3.66Å; I38-P591 WeakPolarHBondContact O-CD 3.32Å |
| 39 | F | 81.6 | Confident | 54 | Low | 3 Ų | 3 | 65.2 Ų | 65.2 | 1% | 0.013 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -85.6 | 128.4 | 169.7 | -73.4 | -78.7 | 0 | 0 | 0 | 110.6 | L487 I490 I528 Q543 I545 P572 F574 F588 T589 M590 | F39-L487 HydrophobicContact CE2-CD1 3.84Å; F39-L487 HydrophobicContact CZ-CD1 3.98Å; F39-I490 HydrophobicContact CE2-CD1 3.99Å; F39-I490 HydrophobicContact CE2-CG2 4.38Å; F39-I490 HydrophobicContact CZ-CG2 4.06Å; F39-I528 HydrophobicContact CD2-CD1 4.02Å; F39-I528 HydrophobicContact CD2-CG1 4.05Å; F39-I528 HydrophobicContact CD2-CG2 4.49Å; F39-I528 HydrophobicContact CE2-CD1 4.11Å; F39-I528 HydrophobicContact CE2-CG1 4.39Å; F39-I528 HydrophobicContact CE2-CG2 4.17Å; F39-Q543 PolarHBondContact O-NE2 3.03Å; F39-I545 HydrophobicContact CB-CD1 3.92Å; F39-P572 WeakPolarHBondContact CE1-O 3.05Å; F39-P572 HydrophobicContact CZ-CG 4.42Å; F39-F574 HydrophobicContact CB-CE1 4.27Å; F39-F574 AromaticContact CD1-CD1 3.78Å; F39-F574 HydrophobicContact CD1-CD1 3.78Å; F39-F574 AromaticContact CD1-CE1 3.53Å; F39-F574 HydrophobicContact CD1-CE1 3.53Å; F39-F574 HydrophobicContact CD2-CE1 4.07Å; F39-F574 AromaticContact CE1-CD1 3.61Å; F39-F574 HydrophobicContact CE1-CD1 3.61Å; F39-F574 AromaticContact CE1-CE1 3.75Å; F39-F574 HydrophobicContact CE1-CE1 3.75Å; F39-F574 HydrophobicContact CE2-CE1 4.26Å; F39-F574 HydrophobicContact CG-CD1 4.39Å; F39-F574 AromaticContact CG-CE1 3.69Å; F39-F574 HydrophobicContact CG-CE1 3.69Å; F39-F574 HydrophobicContact CZ-CD1 4.1Å; F39-F574 HydrophobicContact CZ-CE1 4.11Å; F39-F588 HydrophobicContact CB-CB 4.41Å; F39-F588 HydrophobicContact CD1-CB 4.4Å; F39-T589 WeakPolarHBondContact CA-O 3.29Å; F39-M590 HydrophobicContact CD1-CB 4.01Å; F39-M590 HydrophobicContact CE1-CB 3.88Å; F39-M590 HydrophobicContact CZ-CB 4.5Å; F39-M590 HydrophobicContact CZ-SD 4.43Å |
| 40 | R | 73.8 | Confident | 56.3 | Low | 50 Ų | 50 | 64 Ų | 64 | 19% | 0.189 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.2 | 176.9 | -61.2 | -179.7 | -174 | -177 | -0.3 | 108.4 | P37 F42 F588 T589 P591 | P37-R40 HydrophobicContact CG-CG 4.18Å; P37-R40 PolarHBondContact O-NE 3.06Å; R40-F42 PolarHBondContact O-N 2.88Å; R40-F588 WeakPolarHBondContact O-CA 3.45Å; R40-T589 PolarHBondContact N-O 3.05Å; R40-T589 PolarHBondContact O-N 2.8Å; R40-P591 HydrophobicContact CG-CG 4.49Å |
| 41 | Q | 68.1 | Low | 58.7 | Low | 51 Ų | 51 | 61.2 Ų | 61.2 | 24% | 0.238 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 138.5 | 164.5 | -176.3 | -158.7 | -9.1 | 0 | 0 | 107.8 | T43 P548 F588 | Q41-T43 HydrophobicContact CB-CG2 3.99Å; Q41-T43 HydrophobicContact CG-CG2 3.94Å; Q41-T43 PolarHBondContact O-N 3.32Å; Q41-T43 PolarHBondContact O-OG1 3.37Å; Q41-P548 HydrophobicContact CG-CG 4.05Å; Q41-F588 HydrophobicContact CB-CD1 4.03Å; Q41-F588 HydrophobicContact CB-CE1 3.67Å; Q41-F588 HydrophobicContact CB-CZ 4.35Å; Q41-F588 HydrophobicContact CG-CE1 4.31Å |
| 42 | F | 61.2 | Low | 61.2 | Low | 48 Ų | 48 | 55.6 Ų | 55.6 | 21% | 0.211 | 30% | 0.298 | C | S | . | . | trans | -70 | 79.3 | 169.9 | -149.2 | -103.7 | 0 | 0 | 0 | 110.7 | R40 T45 I47 L127 L587 T589 | R40-F42 PolarHBondContact O-N 2.88Å; F42-T45 VanDerWaalsContact CE1-OG1 3.22Å; F42-T45 WeakPolarHBondContact CE1-OG1 3.29Å; F42-I47 HydrophobicContact CD1-CB 4.46Å; F42-I47 HydrophobicContact CD1-CD1 3.82Å; F42-I47 HydrophobicContact CD1-CG1 4.35Å; F42-I47 HydrophobicContact CE1-CD1 3.43Å; F42-I47 VanDerWaalsContact CE1-CD1 3.43Å; F42-I47 HydrophobicContact CE1-CG1 4.18Å; F42-I47 HydrophobicContact CZ-CD1 4.39Å; F42-L127 HydrophobicContact CE1-CD2 3.57Å; F42-L127 HydrophobicContact CZ-CD2 3.8Å; F42-L127 WeakPolarHBondContact CZ-O 3.13Å; F42-L587 PolarHBondContact N-O 3Å; F42-T589 HydrophobicContact CD2-CG2 3.95Å | ||
| 43 | T | 47 | Very low | 63.7 | Low | 89 Ų | 89 | 57.6 Ų | 57.6 | 55% | 0.546 | 31% | 0.306 | S | S | . | . | trans | -91.3 | -19.6 | -176.7 | 43.5 | 0 | 0 | 0 | 0 | 114 | Q41 T45 | Q41-T43 HydrophobicContact CB-CG2 3.99Å; Q41-T43 HydrophobicContact CG-CG2 3.94Å; Q41-T43 PolarHBondContact O-N 3.32Å; Q41-T43 PolarHBondContact O-OG1 3.37Å; T43-T45 PolarHBondContact O-N 2.98Å; T43-T45 VanDerWaalsContact O-N 3.12Å | ||
| 44 | V | 46.7 | Very low | 66.2 | Low | 71 Ų | 71 | 55.6 Ų | 55.6 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -66.8 | -14.7 | -173 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 45 | T | 50.6 | Low | 68.7 | Low | 27 Ų | 27 | 50.7 Ų | 50.7 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -142.9 | 161.6 | 176.8 | 44 | 0 | 0 | 0 | 0 | 118.1 | F42 T43 I47 L127 L758 | F42-T45 VanDerWaalsContact CE1-OG1 3.22Å; F42-T45 WeakPolarHBondContact CE1-OG1 3.29Å; T43-T45 PolarHBondContact O-N 2.98Å; T43-T45 VanDerWaalsContact O-N 3.12Å; T45-I47 PolarHBondContact O-N 3.47Å; T45-L127 HydrophobicContact CG2-CD1 3.5Å; T45-L127 VanDerWaalsContact CG2-CD1 3.5Å; T45-L127 HydrophobicContact CG2-CD2 3.18Å; T45-L127 HydrophobicContact CG2-CG 3.75Å; T45-L127 WeakPolarHBondContact OG1-CD2 3.1Å; T45-L758 HydrophobicContact CG2-CD2 4.2Å |
| 46 | N | 57.6 | Low | 70.5 | Confident | 90 Ų | 90 | 45.1 Ų | 45.1 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 5.4 | 162.6 | -80.7 | -19 | 0 | 0 | 0 | 116.1 | S48 Q49 E50 | N46-S48 PolarHBondContact O-N 3.4Å; N46-S48 VanDerWaalsContact O-N 3.13Å; N46-Q49 HydrophobicContact CB-CB 4.14Å; N46-Q49 CarbonylContact O-C 3.37Å; N46-Q49 VanDerWaalsContact O-CA 3.31Å; N46-Q49 WeakPolarHBondContact O-CA 3.17Å; N46-Q49 WeakPolarHBondContact O-CB 3.09Å; N46-Q49 PolarHBondContact O-N 2.65Å; N46-E50 HydrophobicContact CB-CG 4.12Å; N46-E50 WeakPolarHBondContact O-CB 3.5Å; N46-E50 WeakPolarHBondContact O-CG 3.39Å; N46-E50 PolarHBondContact O-N 3.44Å |
| 47 | I | 67.2 | Low | 72.1 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 8% | 0.077 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.7 | -41.8 | 177.3 | -67.7 | -174.8 | 0 | 0 | 0 | 111.3 | F42 T45 Q49 E50 L51 L119 L129 | F42-I47 HydrophobicContact CD1-CB 4.46Å; F42-I47 HydrophobicContact CD1-CD1 3.82Å; F42-I47 HydrophobicContact CD1-CG1 4.35Å; F42-I47 HydrophobicContact CE1-CD1 3.43Å; F42-I47 VanDerWaalsContact CE1-CD1 3.43Å; F42-I47 HydrophobicContact CE1-CG1 4.18Å; F42-I47 HydrophobicContact CZ-CD1 4.39Å; T45-I47 PolarHBondContact O-N 3.47Å; I47-Q49 VanDerWaalsContact C-N 3.3Å; I47-Q49 PolarHBondContact O-N 3.07Å; I47-E50 PolarHBondContact O-N 3.48Å; I47-L51 WeakPolarHBondContact O-CB 3.41Å; I47-L51 PolarHBondContact O-N 3.34Å; I47-L119 HydrophobicContact CG2-CD2 4.43Å; I47-L129 HydrophobicContact CD1-CB 4.37Å; I47-L129 VanDerWaalsContact CD1-O 3.31Å; I47-L129 WeakPolarHBondContact CD1-O 3.4Å |
| 48 | S | 67.4 | Low | 73.3 | Confident | 52 Ų | 52 | 48.2 Ų | 48.2 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.4 | -34 | 173.9 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | N46 K52 V584 | N46-S48 PolarHBondContact O-N 3.4Å; N46-S48 VanDerWaalsContact O-N 3.13Å; S48-K52 WeakPolarHBondContact O-CB 3.18Å; S48-K52 PolarHBondContact O-N 2.79Å; S48-K52 VanDerWaalsContact O-N 3.08Å; S48-V584 WeakPolarHBondContact O-CG2 3.43Å |
| 49 | Q | 73.8 | Confident | 73.8 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 35% | 0.35 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -80.5 | -31.3 | 177.5 | -173.3 | 60.2 | 47 | 0 | 0 | 112.8 | N46 I47 N53 | N46-Q49 HydrophobicContact CB-CB 4.14Å; N46-Q49 CarbonylContact O-C 3.37Å; N46-Q49 VanDerWaalsContact O-CA 3.31Å; N46-Q49 WeakPolarHBondContact O-CA 3.17Å; N46-Q49 WeakPolarHBondContact O-CB 3.09Å; N46-Q49 PolarHBondContact O-N 2.65Å; I47-Q49 VanDerWaalsContact C-N 3.3Å; I47-Q49 PolarHBondContact O-N 3.07Å; Q49-N53 PolarHBondContact NE2-OD1 2.89Å; Q49-N53 VanDerWaalsContact O-CB 3.25Å; Q49-N53 WeakPolarHBondContact O-CB 3.16Å; Q49-N53 PolarHBondContact O-N 2.82Å; Q49-N53 PolarHBondContact O-ND2 2.83Å; Q49-N53 PolarHBondContact O-OD1 3.49Å; Q49-N53 VanDerWaalsContact O-OD1 3.13Å |
| 50 | E | 77.3 | Confident | 74 | Confident | 74 Ų | 74 | 53.1 Ų | 53.1 | 35% | 0.346 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -76.9 | -41.1 | 176.1 | -75.8 | 165.7 | -163.5 | 0 | 0 | 110.5 | N46 I47 K52 N53 S54 L131 | N46-E50 HydrophobicContact CB-CG 4.12Å; N46-E50 WeakPolarHBondContact O-CB 3.5Å; N46-E50 WeakPolarHBondContact O-CG 3.39Å; N46-E50 PolarHBondContact O-N 3.44Å; I47-E50 PolarHBondContact O-N 3.48Å; E50-K52 VanDerWaalsContact C-N 3.35Å; E50-N53 PolarHBondContact O-N 3.28Å; E50-S54 WeakPolarHBondContact O-CB 3.36Å; E50-S54 PolarHBondContact O-N 3.19Å; E50-S54 PolarHBondContact O-OG 3.04Å; E50-L131 VanDerWaalsContact C-CD2 3.46Å; E50-L131 HydrophobicContact CB-CD2 3.93Å |
| 51 | L | 81.2 | Confident | 74.6 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -49.8 | 169.5 | -173 | 72.3 | 0 | 0 | 0 | 109.1 | I47 S54 V55 F92 C117 L131 V584 | I47-L51 WeakPolarHBondContact O-CB 3.41Å; I47-L51 PolarHBondContact O-N 3.34Å; L51-S54 PolarHBondContact O-N 3.43Å; L51-V55 WeakPolarHBondContact O-CB 3.43Å; L51-V55 VanDerWaalsContact O-CG2 3.23Å; L51-V55 WeakPolarHBondContact O-CG2 3.48Å; L51-V55 PolarHBondContact O-N 2.92Å; L51-F92 HydrophobicContact CD1-CE1 4.2Å; L51-F92 HydrophobicContact CD1-CZ 4.32Å; L51-F92 HydrophobicContact CD2-CE1 4.46Å; L51-C117 HydrophobicContact CD1-CB 3.63Å; L51-C117 WeakPolarHBondContact CD1-SG 3.05Å; L51-L131 HydrophobicContact CB-CD2 4.25Å; L51-L131 HydrophobicContact CD1-CD1 4.02Å; L51-L131 HydrophobicContact CD1-CD2 4.42Å; L51-V584 HydrophobicContact CB-CG2 4.19Å; L51-V584 HydrophobicContact CD2-CB 3.94Å; L51-V584 HydrophobicContact CD2-CG2 3.76Å; L51-V584 HydrophobicContact CG-CB 4.25Å; L51-V584 HydrophobicContact CG-CG1 4.48Å; L51-V584 HydrophobicContact CG-CG2 4.08Å |
| 52 | K | 83.8 | Confident | 75.3 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.5 | -53.9 | 171.6 | 173.4 | 171.2 | 176.8 | 155 | 0 | 112.6 | S48 E50 S54 V55 D56 N582 V584 | S48-K52 WeakPolarHBondContact O-CB 3.18Å; S48-K52 PolarHBondContact O-N 2.79Å; S48-K52 VanDerWaalsContact O-N 3.08Å; E50-K52 VanDerWaalsContact C-N 3.35Å; K52-S54 PolarHBondContact O-N 3.34Å; K52-V55 PolarHBondContact O-N 3.1Å; K52-D56 WeakPolarHBondContact O-CB 3.39Å; K52-D56 VanDerWaalsContact O-CG 3.27Å; K52-D56 PolarHBondContact O-N 3.03Å; K52-N582 WeakPolarHBondContact CE-OD1 3.29Å; K52-N582 PolarHBondContact NZ-ND2 3.4Å; K52-N582 VanDerWaalsContact NZ-ND2 3.14Å; K52-N582 PolarHBondContact NZ-O 3.41Å; K52-N582 PolarHBondContact NZ-OD1 3.49Å; K52-V584 HydrophobicContact CB-CG1 4.24Å; K52-V584 HydrophobicContact CB-CG2 4.14Å |
| 53 | N | 86 | Confident | 76.4 | Confident | 73 Ų | 73 | 55.1 Ų | 55.1 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.8 | -34.2 | 179.8 | -70 | -14.3 | 0 | 0 | 0 | 111.9 | Q49 E50 K57 | Q49-N53 PolarHBondContact NE2-OD1 2.89Å; Q49-N53 VanDerWaalsContact O-CB 3.25Å; Q49-N53 WeakPolarHBondContact O-CB 3.16Å; Q49-N53 PolarHBondContact O-N 2.82Å; Q49-N53 PolarHBondContact O-ND2 2.83Å; Q49-N53 PolarHBondContact O-OD1 3.49Å; Q49-N53 VanDerWaalsContact O-OD1 3.13Å; E50-N53 PolarHBondContact O-N 3.28Å; N53-K57 VanDerWaalsContact O-CG 3.25Å; N53-K57 WeakPolarHBondContact O-CG 3.2Å; N53-K57 PolarHBondContact O-N 3.08Å; N53-K57 VanDerWaalsContact O-N 3.1Å |
| 54 | S | 87.4 | Confident | 78 | Confident | 24 Ų | 24 | 54.8 Ų | 54.8 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -77.9 | -37.9 | 179.4 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | E50 L51 K52 K57 I58 | E50-S54 WeakPolarHBondContact O-CB 3.36Å; E50-S54 PolarHBondContact O-N 3.19Å; E50-S54 PolarHBondContact O-OG 3.04Å; L51-S54 PolarHBondContact O-N 3.43Å; K52-S54 PolarHBondContact O-N 3.34Å; S54-K57 WeakPolarHBondContact O-CB 3.35Å; S54-K57 PolarHBondContact O-N 3.05Å; S54-I58 WeakPolarHBondContact O-CG1 3.22Å; S54-I58 PolarHBondContact O-N 3.33Å |
| 55 | V | 87 | Confident | 79.6 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 170.4 | 165.8 | 0 | 0 | 0 | 0 | 111 | L51 K52 K57 I58 L59 W72 F92 I115 V584 | L51-V55 WeakPolarHBondContact O-CB 3.43Å; L51-V55 VanDerWaalsContact O-CG2 3.23Å; L51-V55 WeakPolarHBondContact O-CG2 3.48Å; L51-V55 PolarHBondContact O-N 2.92Å; K52-V55 PolarHBondContact O-N 3.1Å; V55-K57 VanDerWaalsContact C-N 3.31Å; V55-K57 PolarHBondContact O-N 2.81Å; V55-I58 WeakPolarHBondContact O-CA 3.28Å; V55-I58 WeakPolarHBondContact O-CB 3.43Å; V55-I58 PolarHBondContact O-N 2.73Å; V55-L59 HydrophobicContact CG1-CD1 3.68Å; V55-L59 HydrophobicContact CG1-CG 4.17Å; V55-L59 PolarHBondContact O-N 2.89Å; V55-W72 HydrophobicContact CG1-CH2 4.42Å; V55-W72 HydrophobicContact CG1-CZ2 3.68Å; V55-F92 HydrophobicContact CG2-CE2 3.76Å; V55-F92 HydrophobicContact CG2-CZ 3.57Å; V55-I115 HydrophobicContact CG1-CD1 4.04Å; V55-I115 HydrophobicContact CG2-CD1 4.31Å; V55-I115 HydrophobicContact CG2-CG2 4.39Å; V55-V584 HydrophobicContact CB-CG1 4.23Å; V55-V584 HydrophobicContact CG1-CG1 4.32Å; V55-V584 HydrophobicContact CG2-CG1 4.11Å |
| 56 | D | 88 | Confident | 80.9 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 16% | 0.16 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62 | -38.1 | 176.8 | -73.8 | -17.3 | 0 | 0 | 0 | 111.3 | K52 I58 L59 K60 Y67 | K52-D56 WeakPolarHBondContact O-CB 3.39Å; K52-D56 VanDerWaalsContact O-CG 3.27Å; K52-D56 PolarHBondContact O-N 3.03Å; D56-I58 PolarHBondContact O-N 2.94Å; D56-L59 PolarHBondContact O-N 3.31Å; D56-K60 WeakPolarHBondContact O-CB 3.09Å; D56-K60 PolarHBondContact O-N 2.99Å; D56-Y67 HydrophobicContact CB-CE2 4.35Å |
| 57 | K | 88.8 | Confident | 82 | Confident | 158 Ų | 158 | 57.2 Ų | 57.2 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.8 | -30.3 | 171.3 | -77.6 | 168.9 | -174.1 | 175.1 | 0 | 113.1 | N53 S54 V55 P61 | N53-K57 VanDerWaalsContact O-CG 3.25Å; N53-K57 WeakPolarHBondContact O-CG 3.2Å; N53-K57 PolarHBondContact O-N 3.08Å; N53-K57 VanDerWaalsContact O-N 3.1Å; S54-K57 WeakPolarHBondContact O-CB 3.35Å; S54-K57 PolarHBondContact O-N 3.05Å; V55-K57 VanDerWaalsContact C-N 3.31Å; V55-K57 PolarHBondContact O-N 2.81Å; K57-P61 WeakPolarHBondContact O-CD 3.43Å; K57-P61 VanDerWaalsContact O-CG 3.29Å; K57-P61 WeakPolarHBondContact O-CG 3.01Å |
| 58 | I | 88.3 | Confident | 82.7 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -84.6 | -43.1 | 178.3 | -63 | 163.2 | 0 | 0 | 0 | 111 | S54 V55 D56 N62 I115 C134 P136 | S54-I58 WeakPolarHBondContact O-CG1 3.22Å; S54-I58 PolarHBondContact O-N 3.33Å; V55-I58 WeakPolarHBondContact O-CA 3.28Å; V55-I58 WeakPolarHBondContact O-CB 3.43Å; V55-I58 PolarHBondContact O-N 2.73Å; D56-I58 PolarHBondContact O-N 2.94Å; I58-N62 PolarHBondContact O-ND2 3.07Å; I58-I115 HydrophobicContact CB-CD1 4.42Å; I58-I115 HydrophobicContact CD1-CD1 4.37Å; I58-I115 HydrophobicContact CD1-CG2 3.88Å; I58-I115 HydrophobicContact CG2-CD1 4.12Å; I58-C134 HydrophobicContact CD1-CB 3.56Å; I58-C134 WeakPolarHBondContact CD1-O 3.23Å; I58-P136 HydrophobicContact CG2-CB 3.84Å; I58-P136 HydrophobicContact CG2-CG 4.07Å |
| 59 | L | 86.5 | Confident | 83.4 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -82 | -38.3 | -173.6 | -65.7 | 180 | 0 | 0 | 0 | 112.9 | V55 D56 N62 F63 F70 W72 I115 | V55-L59 HydrophobicContact CG1-CD1 3.68Å; V55-L59 HydrophobicContact CG1-CG 4.17Å; V55-L59 PolarHBondContact O-N 2.89Å; D56-L59 PolarHBondContact O-N 3.31Å; L59-N62 CarbonylContact O-C 3.6Å; L59-N62 PolarHBondContact O-N 3.5Å; L59-F63 HydrophobicContact CB-CD2 4.33Å; L59-F63 HydrophobicContact CD2-CD2 4.04Å; L59-F63 HydrophobicContact CD2-CE2 3.86Å; L59-F63 WeakPolarHBondContact O-CD2 3.21Å; L59-F63 PolarHBondContact O-N 3.07Å; L59-F70 HydrophobicContact CD1-CB 4.22Å; L59-F70 HydrophobicContact CD1-CD1 4.45Å; L59-F70 HydrophobicContact CD1-CD2 3.75Å; L59-F70 HydrophobicContact CD1-CE2 4.24Å; L59-F70 HydrophobicContact CD1-CG 3.87Å; L59-F70 HydrophobicContact CD2-CD2 4.22Å; L59-F70 HydrophobicContact CD2-CE1 4.43Å; L59-F70 HydrophobicContact CD2-CE2 3.85Å; L59-F70 HydrophobicContact CD2-CZ 3.96Å; L59-W72 HydrophobicContact CD1-CH2 4.21Å; L59-W72 HydrophobicContact CD1-CZ2 3.85Å; L59-I115 HydrophobicContact CD2-CD1 4.1Å; L59-I115 HydrophobicContact CG-CD1 4.17Å |
| 60 | K | 86.9 | Confident | 84 | Confident | 117 Ų | 117 | 56.8 Ų | 56.8 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | -176 | -174.7 | 176.1 | 179.7 | 178.8 | 0 | 114.2 | D56 N62 P64 Y67 | D56-K60 WeakPolarHBondContact O-CB 3.09Å; D56-K60 PolarHBondContact O-N 2.99Å; K60-N62 VanDerWaalsContact C-N 3.32Å; K60-P64 WeakPolarHBondContact O-CA 3.04Å; K60-Y67 HydrophobicContact CB-CD1 4.07Å; K60-Y67 HydrophobicContact CB-CD2 4.43Å; K60-Y67 HydrophobicContact CB-CE1 4.22Å; K60-Y67 HydrophobicContact CB-CG 4.2Å; K60-Y67 HydrophobicContact CD-CE1 4.15Å; K60-Y67 HydrophobicContact CG-CD1 4.06Å; K60-Y67 HydrophobicContact CG-CE1 3.86Å |
| 61 | P | 86.6 | Confident | 84.4 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.3 | -32.8 | 172.9 | -22.3 | 34.7 | 0 | 0 | 0 | 113.4 | K57 | K57-P61 WeakPolarHBondContact O-CD 3.43Å; K57-P61 VanDerWaalsContact O-CG 3.29Å; K57-P61 WeakPolarHBondContact O-CG 3.01Å |
| 62 | N | 82.6 | Confident | 84.8 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -84.4 | -30.3 | -177.5 | -69.8 | -56.5 | 0 | 0 | 0 | 112.9 | I58 L59 K60 V139 | I58-N62 PolarHBondContact O-ND2 3.07Å; L59-N62 CarbonylContact O-C 3.6Å; L59-N62 PolarHBondContact O-N 3.5Å; K60-N62 VanDerWaalsContact C-N 3.32Å; N62-V139 HydrophobicContact CB-CG1 4.32Å |
| 63 | F | 82.9 | Confident | 85.1 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 4% | 0.044 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -137.7 | 62.4 | -174.6 | -46.8 | -72.9 | 0 | 0 | 0 | 111.4 | L59 N65 E66 Y67 F70 A111 V139 K140 N141 | L59-F63 HydrophobicContact CB-CD2 4.33Å; L59-F63 HydrophobicContact CD2-CD2 4.04Å; L59-F63 HydrophobicContact CD2-CE2 3.86Å; L59-F63 WeakPolarHBondContact O-CD2 3.21Å; L59-F63 PolarHBondContact O-N 3.07Å; F63-N65 PolarHBondContact O-N 2.93Å; F63-E66 PolarHBondContact O-N 3.15Å; F63-Y67 PolarHBondContact O-N 2.95Å; F63-F70 AromaticContact CD2-CE2 3.56Å; F63-F70 HydrophobicContact CD2-CE2 3.56Å; F63-F70 HydrophobicContact CD2-CZ 4.19Å; F63-F70 AromaticContact CE2-CE2 3.57Å; F63-F70 HydrophobicContact CE2-CE2 3.57Å; F63-F70 AromaticContact CE2-CZ 3.7Å; F63-F70 HydrophobicContact CE2-CZ 3.7Å; F63-F70 HydrophobicContact CG-CE2 4.19Å; F63-F70 HydrophobicContact CZ-CE2 4.22Å; F63-F70 HydrophobicContact CZ-CZ 4.12Å; F63-A111 HydrophobicContact CD1-CB 3.81Å; F63-A111 HydrophobicContact CE1-CB 3.29Å; F63-A111 HydrophobicContact CE2-CB 4.36Å; F63-A111 HydrophobicContact CZ-CB 3.61Å; F63-V139 HydrophobicContact CE2-CG1 3.35Å; F63-V139 HydrophobicContact CZ-CG1 3.5Å; F63-V139 VanDerWaalsContact CZ-CG1 3.5Å; F63-K140 WeakPolarHBondContact CZ-O 3.3Å; F63-N141 HydrophobicContact CD1-CB 4.45Å; F63-N141 HydrophobicContact CE1-CB 3.77Å |
| 64 | P | 80.3 | Confident | 85.4 | Confident | 83 Ų | 83 | 53.2 Ų | 53.2 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -33.5 | -165.9 | 19.2 | -33 | 0 | 0 | 0 | 115.1 | K60 | K60-P64 WeakPolarHBondContact O-CA 3.04Š|
| 65 | N | 81.2 | Confident | 85.8 | Confident | 144 Ų | 144 | 52.4 Ų | 52.4 | 77% | 0.77 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -12.2 | -177.3 | -60.8 | -12.4 | 0 | 0 | 0 | 113.4 | F63 | F63-N65 PolarHBondContact O-N 2.93Š|
| 66 | E | 79 | Confident | 86.1 | Confident | 53 Ų | 53 | 53 Ų | 53 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | -6.6 | -157.7 | -70.6 | 173.2 | -159.6 | 0 | 0 | 114.7 | F63 N68 L69 I96 K110 | F63-E66 PolarHBondContact O-N 3.15Å; E66-N68 PolarHBondContact O-N 3.42Å; E66-L69 HydrophobicContact CB-CD1 4.3Å; E66-L69 HydrophobicContact CG-CD1 4.25Å; E66-L69 VanDerWaalsContact O-CB 3.27Å; E66-L69 WeakPolarHBondContact O-CB 3.41Å; E66-L69 PolarHBondContact O-N 2.91Å; E66-I96 HydrophobicContact CB-CD1 4.11Å; E66-I96 VanDerWaalsContact O-CD1 3.32Å; E66-I96 WeakPolarHBondContact O-CD1 3.22Å; E66-K110 IonicContact OE1-NZ 3.45Å; E66-K110 PolarHBondContact OE1-NZ 2.84Å; E66-K110 VanDerWaalsContact OE2-CD 3.22Å; E66-K110 WeakPolarHBondContact OE2-CD 3.26Å; E66-K110 WeakPolarHBondContact OE2-CE 3.02Å; E66-K110 IonicContact OE2-NZ 3.98Å; E66-K110 PolarHBondContact OE2-NZ 2.04Å |
| 67 | Y | 80.5 | Confident | 86.2 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -52.4 | -31.5 | -179.9 | 70.9 | -80.9 | 0 | 0 | 0 | 114.3 | D56 K60 F63 L69 F70 | D56-Y67 HydrophobicContact CB-CE2 4.35Å; K60-Y67 HydrophobicContact CB-CD1 4.07Å; K60-Y67 HydrophobicContact CB-CD2 4.43Å; K60-Y67 HydrophobicContact CB-CE1 4.22Å; K60-Y67 HydrophobicContact CB-CG 4.2Å; K60-Y67 HydrophobicContact CD-CE1 4.15Å; K60-Y67 HydrophobicContact CG-CD1 4.06Å; K60-Y67 HydrophobicContact CG-CE1 3.86Å; F63-Y67 PolarHBondContact O-N 2.95Å; Y67-L69 PolarHBondContact O-N 3.01Å; Y67-L69 VanDerWaalsContact O-N 3.15Å; Y67-F70 PolarHBondContact O-N 2.92Å |
| 68 | N | 81.2 | Confident | 86.2 | Confident | 58 Ų | 58 | 44.7 Ų | 44.7 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -63.8 | -13.6 | 175.4 | -68.7 | -59.8 | 0 | 0 | 0 | 114.3 | E66 N582 | E66-N68 PolarHBondContact O-N 3.42Å; N68-N582 PolarHBondContact OD1-ND2 3.38Å |
| 69 | L | 83.1 | Confident | 86.1 | Confident | 72 Ų | 72 | 44.4 Ų | 44.4 | 38% | 0.377 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -92.7 | 4.4 | -179.7 | -55.8 | 177 | 0 | 0 | 0 | 113.6 | E66 Y67 H71 I96 L581 | E66-L69 HydrophobicContact CB-CD1 4.3Å; E66-L69 HydrophobicContact CG-CD1 4.25Å; E66-L69 VanDerWaalsContact O-CB 3.27Å; E66-L69 WeakPolarHBondContact O-CB 3.41Å; E66-L69 PolarHBondContact O-N 2.91Å; Y67-L69 PolarHBondContact O-N 3.01Å; Y67-L69 VanDerWaalsContact O-N 3.15Å; L69-H71 PolarHBondContact O-CD2 2.98Å; L69-H71 PolarHBondContact O-N 3.08Å; L69-I96 HydrophobicContact CB-CD1 4.37Å; L69-I96 HydrophobicContact CB-CG1 4.32Å; L69-I96 HydrophobicContact CB-CG2 3.94Å; L69-L581 HydrophobicContact CD2-CD2 4.29Å |
| 70 | F | 84.8 | Confident | 86 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 122.4 | 175.1 | -100.3 | -92.4 | 0 | 0 | 0 | 111.3 | L59 F63 Y67 W72 I96 A111 | L59-F70 HydrophobicContact CD1-CB 4.22Å; L59-F70 HydrophobicContact CD1-CD1 4.45Å; L59-F70 HydrophobicContact CD1-CD2 3.75Å; L59-F70 HydrophobicContact CD1-CE2 4.24Å; L59-F70 HydrophobicContact CD1-CG 3.87Å; L59-F70 HydrophobicContact CD2-CD2 4.22Å; L59-F70 HydrophobicContact CD2-CE1 4.43Å; L59-F70 HydrophobicContact CD2-CE2 3.85Å; L59-F70 HydrophobicContact CD2-CZ 3.96Å; F63-F70 AromaticContact CD2-CE2 3.56Å; F63-F70 HydrophobicContact CD2-CE2 3.56Å; F63-F70 HydrophobicContact CD2-CZ 4.19Å; F63-F70 AromaticContact CE2-CE2 3.57Å; F63-F70 HydrophobicContact CE2-CE2 3.57Å; F63-F70 AromaticContact CE2-CZ 3.7Å; F63-F70 HydrophobicContact CE2-CZ 3.7Å; F63-F70 HydrophobicContact CG-CE2 4.19Å; F63-F70 HydrophobicContact CZ-CE2 4.22Å; F63-F70 HydrophobicContact CZ-CZ 4.12Å; Y67-F70 PolarHBondContact O-N 2.92Å; F70-W72 HydrophobicContact CB-CZ2 4.35Å; F70-W72 HydrophobicContact CD1-CH2 4.11Å; F70-W72 HydrophobicContact CD1-CZ2 4.34Å; F70-W72 HydrophobicContact CD1-CZ3 4.38Å; F70-I96 HydrophobicContact CD2-CD1 3.56Å; F70-I96 HydrophobicContact CD2-CG1 3.5Å; F70-I96 VanDerWaalsContact CD2-CG1 3.5Å; F70-I96 HydrophobicContact CE2-CD1 3.53Å; F70-I96 HydrophobicContact CE2-CG1 3.62Å; F70-I96 HydrophobicContact CG-CG1 4Å; F70-I96 HydrophobicContact CZ-CD1 4.47Å; F70-I96 HydrophobicContact CZ-CG1 4.23Å; F70-A111 HydrophobicContact CE2-CB 4.01Å; F70-A111 HydrophobicContact CZ-CB 3.83Å |
| 71 | H | 86.2 | Confident | 85.6 | Confident | 47 Ų | 47 | 42.2 Ų | 42.2 | 22% | 0.218 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.3 | 168.1 | -62.7 | -79.2 | 0 | 0 | 0 | 109.4 | L69 G94 S95 L579 L581 | L69-H71 PolarHBondContact O-CD2 2.98Å; L69-H71 PolarHBondContact O-N 3.08Å; H71-G94 CarbonylContact O-C 3.46Å; H71-G94 WeakPolarHBondContact O-CA 3.46Å; H71-S95 PolarHBondContact N-O 3.43Å; H71-S95 PolarHBondContact O-N 3.02Å; H71-L579 HydrophobicContact CB-CD2 4.16Å; H71-L579 PolarHBondContact CE1-O 3.48Å; H71-L579 PolarHBondContact ND1-O 3.41Å; H71-L581 VanDerWaalsContact CE1-CD2 3.41Å; H71-L581 WeakPolarHBondContact CE1-CD2 3.31Å |
| 72 | W | 89.9 | Confident | 85.2 | Confident | 8 Ų | 8 | 39 Ų | 39 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 121.7 | 176.2 | -58.7 | 104.9 | 0 | 0 | 0 | 109.8 | V55 L59 F70 F92 I115 T577 | V55-W72 HydrophobicContact CG1-CH2 4.42Å; V55-W72 HydrophobicContact CG1-CZ2 3.68Å; L59-W72 HydrophobicContact CD1-CH2 4.21Å; L59-W72 HydrophobicContact CD1-CZ2 3.85Å; F70-W72 HydrophobicContact CB-CZ2 4.35Å; F70-W72 HydrophobicContact CD1-CH2 4.11Å; F70-W72 HydrophobicContact CD1-CZ2 4.34Å; F70-W72 HydrophobicContact CD1-CZ3 4.38Å; W72-F92 AromaticContact CD2-CD2 3.85Å; W72-F92 HydrophobicContact CD2-CD2 3.85Å; W72-F92 HydrophobicContact CD2-CE2 4.38Å; W72-F92 HydrophobicContact CE3-CB 4.46Å; W72-F92 AromaticContact CE3-CD2 3.52Å; W72-F92 HydrophobicContact CE3-CD2 3.52Å; W72-F92 HydrophobicContact CE3-CE2 4.27Å; W72-F92 HydrophobicContact CE3-CG 4.45Å; W72-F92 AromaticContact CH2-CD2 3.96Å; W72-F92 HydrophobicContact CH2-CD2 3.96Å; W72-F92 AromaticContact CH2-CE2 3.95Å; W72-F92 HydrophobicContact CH2-CE2 3.95Å; W72-F92 HydrophobicContact CZ2-CD2 4.25Å; W72-F92 HydrophobicContact CZ2-CE2 4.06Å; W72-F92 AromaticContact CZ3-CD2 3.58Å; W72-F92 HydrophobicContact CZ3-CD2 3.58Å; W72-F92 HydrophobicContact CZ3-CE2 4.07Å; W72-I115 HydrophobicContact CH2-CD1 3.79Å; W72-I115 HydrophobicContact CH2-CG1 4.25Å; W72-I115 HydrophobicContact CZ2-CD1 4.44Å; W72-T577 WeakPolarHBondContact O-CB 3.41Å |
| 73 | T | 89.5 | Confident | 84.9 | Confident | 42 Ų | 42 | 42.5 Ų | 42.5 | 26% | 0.258 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -38.6 | -173.9 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | G93 T577 L579 | T73-G93 PolarHBondContact N-O 3.02Å; T73-G93 PolarHBondContact OG1-O 3.16Å; T73-T577 PolarHBondContact O-OG1 3.01Å; T73-L579 HydrophobicContact CG2-CD2 4.07Å |
| 74 | T | 93.7 | Very high | 84.5 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 14% | 0.135 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 150.3 | -176.2 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | F92 G93 G161 V162 | T74-F92 WeakPolarHBondContact O-CA 3.17Å; T74-F92 VanDerWaalsContact O-CB 3.25Å; T74-F92 WeakPolarHBondContact O-CB 3.5Å; T74-G93 PolarHBondContact N-O 3.12Å; T74-G93 PolarHBondContact O-N 3.08Å; T74-G93 WeakPolarHBondContact OG1-CA 3.06Å; T74-G93 PolarHBondContact OG1-N 2.92Å; T74-G161 VanDerWaalsContact CG2-O 3.27Å; T74-G161 WeakPolarHBondContact CG2-O 3.14Å; T74-G161 PolarHBondContact OG1-O 3.17Å; T74-V162 WeakPolarHBondContact CG2-O 3.24Å |
| 75 | V | 94.2 | Very high | 84.3 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 142.1 | 174 | 65 | 0 | 0 | 0 | 0 | 110.7 | I91 F92 A575 T577 P585 | V75-I91 CarbonylContact C-O 3.52Å; V75-I91 WeakPolarHBondContact CA-O 3.25Å; V75-F92 HydrophobicContact CB-CB 4.32Å; V75-F92 HydrophobicContact CG2-CB 4.27Å; V75-A575 HydrophobicContact CB-CB 4.44Å; V75-A575 HydrophobicContact CG1-CB 3.95Å; V75-A575 HydrophobicContact CG2-CB 3.62Å; V75-T577 HydrophobicContact CB-CG2 3.82Å; V75-T577 HydrophobicContact CG1-CG2 3.75Å; V75-P585 HydrophobicContact CG2-CB 4.19Å; V75-P585 HydrophobicContact CG2-CG 4.32Å |
| 76 | T | 94.2 | Very high | 84.2 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 157.8 | 173.5 | -156.7 | 0 | 0 | 0 | 0 | 110.2 | I91 L164 S166 | T76-I91 HydrophobicContact CG2-CB 4.09Å; T76-I91 PolarHBondContact N-O 2.78Å; T76-I91 PolarHBondContact O-N 3.08Å; T76-L164 HydrophobicContact CG2-CD1 4.05Å; T76-L164 HydrophobicContact CG2-CD2 4.18Å; T76-L164 HydrophobicContact CG2-CG 3.77Å; T76-S166 WeakPolarHBondContact CG2-OG 3.31Å; T76-S166 PolarHBondContact OG1-N 3.47Å; T76-S166 PolarHBondContact OG1-OG 2.82Å; T76-S166 VanDerWaalsContact OG1-OG 3.07Å |
| 77 | G | 89.7 | Confident | 84.5 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W89 S166 | G77-W89 VanDerWaalsContact CA-O 3.29Å; G77-W89 WeakPolarHBondContact CA-O 3.23Å; G77-S166 PolarHBondContact O-OG 2.84Å; G77-S166 VanDerWaalsContact O-OG 3.05Å |
| 78 | F | 89.1 | Confident | 84.8 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 164.1 | 171.2 | 69.4 | -90.7 | 0 | 0 | 0 | 110.8 | V88 W89 I91 E168 A176 I178 W220 | F78-V88 WeakPolarHBondContact O-CA 3.27Å; F78-W89 HydrophobicContact CD1-CB 3.99Å; F78-W89 HydrophobicContact CD2-CB 4.45Å; F78-W89 HydrophobicContact CE1-CB 3.42Å; F78-W89 VanDerWaalsContact CE1-CB 3.42Å; F78-W89 HydrophobicContact CE1-CG 4.03Å; F78-W89 HydrophobicContact CE2-CB 3.95Å; F78-W89 AromaticContact CE2-CD1 3.55Å; F78-W89 AromaticContact CE2-CG 3.9Å; F78-W89 HydrophobicContact CE2-CG 3.9Å; F78-W89 HydrophobicContact CG-CB 4.48Å; F78-W89 HydrophobicContact CZ-CB 3.4Å; F78-W89 AromaticContact CZ-CD1 3.59Å; F78-W89 HydrophobicContact CZ-CD2 4.34Å; F78-W89 AromaticContact CZ-CG 3.47Å; F78-W89 HydrophobicContact CZ-CG 3.47Å; F78-W89 VanDerWaalsContact CZ-CG 3.47Å; F78-W89 PolarHBondContact N-O 2.96Å; F78-W89 PolarHBondContact O-N 2.74Å; F78-I91 HydrophobicContact CE1-CD1 3.87Å; F78-E168 HydrophobicContact CB-CB 4.38Å; F78-A176 HydrophobicContact CB-CB 4.15Å; F78-A176 HydrophobicContact CD1-CB 4.12Å; F78-A176 HydrophobicContact CD2-CB 3.27Å; F78-A176 HydrophobicContact CE1-CB 4.35Å; F78-A176 HydrophobicContact CE2-CB 3.58Å; F78-A176 HydrophobicContact CG-CB 3.57Å; F78-A176 HydrophobicContact CZ-CB 4.11Å; F78-I178 HydrophobicContact CD1-CD1 4.3Å; F78-I178 HydrophobicContact CD1-CG1 4.07Å; F78-I178 HydrophobicContact CE1-CD1 3.52Å; F78-I178 HydrophobicContact CE1-CG1 3.57Å; F78-I178 HydrophobicContact CZ-CD1 3.73Å; F78-I178 HydrophobicContact CZ-CG1 4.3Å; F78-W220 HydrophobicContact CZ-CH2 4.48Å |
| 79 | K | 86.3 | Confident | 85.3 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 153.3 | 178.6 | 164.2 | 170.6 | 165.3 | -178.2 | 0 | 112.2 | V87 E168 D565 | K79-V87 CarbonylContact C-O 3.59Å; K79-V87 WeakPolarHBondContact CA-O 3.22Å; K79-E168 WeakPolarHBondContact CB-OE2 3.16Å; K79-E168 PolarHBondContact N-OE2 2.75Å; K79-E168 VanDerWaalsContact N-OE2 3.1Å; K79-D565 WeakPolarHBondContact CD-O 3.37Å; K79-D565 WeakPolarHBondContact CE-O 3.41Å; K79-D565 VanDerWaalsContact NZ-CG 3.31Å; K79-D565 PolarHBondContact NZ-O 3.16Å; K79-D565 IonicContact NZ-OD1 2.82Å; K79-D565 IonicContact NZ-OD2 3.86Å; K79-D565 PolarHBondContact NZ-OD2 3.25Å |
| 80 | E | 83.2 | Confident | 85.6 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 145.7 | 174.7 | -172.7 | -179.1 | -150.3 | 0 | 0 | 108.4 | I82 V87 S174 R215 G218 | E80-I82 HydrophobicContact CG-CG1 3.87Å; E80-I82 WeakPolarHBondContact OE2-CD1 3.41Å; E80-V87 PolarHBondContact N-O 2.73Å; E80-V87 PolarHBondContact O-N 3.26Å; E80-S174 WeakPolarHBondContact CG-OG 3.34Å; E80-R215 IonicContact OE1-NE 2.66Å; E80-R215 IonicContact OE2-CZ 2.81Å; E80-R215 IonicContact OE2-NE 3.25Å; E80-R215 PolarHBondContact OE2-NE 2.93Å; E80-R215 IonicContact OE2-NH2 2.85Å; E80-R215 PolarHBondContact OE2-NH2 3.44Å; E80-G218 VanDerWaalsContact OE1-CA 3.27Å; E80-G218 WeakPolarHBondContact OE1-CA 3.25Å; E80-G218 PolarHBondContact OE1-N 2.88Å |
| 81 | I | 80.2 | Confident | 86 | Confident | 70 Ų | 70 | 35.6 Ų | 35.6 | 36% | 0.359 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119 | 170.3 | -56.9 | 176.8 | 0 | 0 | 0 | 107.9 | T85 S174 | I81-T85 WeakPolarHBondContact CA-O 3.04Å; I81-S174 PolarHBondContact N-OG 3.04Å; I81-S174 PolarHBondContact O-OG 3.29Å |
| 82 | I | 77.9 | Confident | 86.4 | Confident | 31 Ų | 31 | 33.4 Ų | 33.4 | 16% | 0.159 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 116.6 | -179.8 | -46.8 | 174.3 | 0 | 0 | 0 | 107.6 | E80 N84 T85 V87 | E80-I82 HydrophobicContact CG-CG1 3.87Å; E80-I82 WeakPolarHBondContact OE2-CD1 3.41Å; I82-N84 VanDerWaalsContact C-N 3.29Å; I82-N84 PolarHBondContact O-N 3.2Å; I82-T85 PolarHBondContact N-O 2.84Å; I82-T85 WeakPolarHBondContact O-CA 3.34Å; I82-T85 WeakPolarHBondContact O-CB 3.38Å; I82-T85 PolarHBondContact O-N 3.14Å; I82-T85 PolarHBondContact O-OG1 2.66Å; I82-V87 HydrophobicContact CD1-CB 4.22Å; I82-V87 HydrophobicContact CD1-CG2 3.8Å; I82-V87 HydrophobicContact CG1-CG2 4.25Å |
| 83 | N | 76.1 | Confident | 86.5 | Confident | 155 Ų | 155 | 33 Ų | 33 | 83% | 0.829 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 46.8 | 177.7 | -57.7 | -10.4 | 0 | 0 | 0 | 113.2 | T85 | N83-T85 PolarHBondContact O-N 3.39Š|
| 84 | N | 73.8 | Confident | 86.5 | Confident | 156 Ų | 156 | 31.1 Ų | 31.1 | 83% | 0.834 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | -7.3 | -171.7 | -63.4 | -13.7 | 0 | 0 | 0 | 117 | I82 | I82-N84 VanDerWaalsContact C-N 3.29Å; I82-N84 PolarHBondContact O-N 3.2Å |
| 85 | T | 77.4 | Confident | 86.2 | Confident | 64 Ų | 64 | 30.8 Ų | 30.8 | 39% | 0.393 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 136.4 | 167.4 | 69.6 | 0 | 0 | 0 | 0 | 109.9 | I81 I82 N83 | I81-T85 WeakPolarHBondContact CA-O 3.04Å; I82-T85 PolarHBondContact N-O 2.84Å; I82-T85 WeakPolarHBondContact O-CA 3.34Å; I82-T85 WeakPolarHBondContact O-CB 3.38Å; I82-T85 PolarHBondContact O-N 3.14Å; I82-T85 PolarHBondContact O-OG1 2.66Å; N83-T85 PolarHBondContact O-N 3.39Å |
| 86 | R | 78.8 | Confident | 85.8 | Confident | 86 Ų | 86 | 30.5 Ų | 30.5 | 33% | 0.325 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 134.7 | 172.4 | -60.1 | 168.5 | 174.7 | 171.1 | -7.6 | 107.8 | Y121 D567 G568 | R86-Y121 HydrophobicContact CB-CG 4.46Å; R86-Y121 WeakPolarHBondContact O-CB 3.43Å; R86-Y121 PolarHBondContact O-N 3.21Å; R86-D567 VanDerWaalsContact CD-O 3.24Å; R86-D567 WeakPolarHBondContact CD-O 3.36Å; R86-D567 PolarHBondContact NH1-O 3.4Å; R86-G568 VanDerWaalsContact NH1-C 3.27Å; R86-G568 PolarHBondContact NH1-O 3.33Å; R86-G568 PolarHBondContact NH2-O 3.25Å |
| 87 | V | 84.8 | Confident | 85 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 131.6 | 178.7 | -179 | 0 | 0 | 0 | 0 | 108.2 | K79 E80 I82 R118 L119 T120 | K79-V87 CarbonylContact C-O 3.59Å; K79-V87 WeakPolarHBondContact CA-O 3.22Å; E80-V87 PolarHBondContact N-O 2.73Å; E80-V87 PolarHBondContact O-N 3.26Å; I82-V87 HydrophobicContact CD1-CB 4.22Å; I82-V87 HydrophobicContact CD1-CG2 3.8Å; I82-V87 HydrophobicContact CG1-CG2 4.25Å; V87-R118 HydrophobicContact CG1-CG 3.56Å; V87-L119 CarbonylContact C-O 3.54Å; V87-L119 WeakPolarHBondContact CA-O 3.44Å; V87-T120 HydrophobicContact CG2-CG2 4.01Å |
| 88 | V | 87.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.6 | -179.5 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | F78 L119 L129 F564 A566 | F78-V88 WeakPolarHBondContact O-CA 3.27Å; V88-L119 HydrophobicContact CB-CB 4.22Å; V88-L119 HydrophobicContact CG1-CD1 4.47Å; V88-L119 PolarHBondContact N-O 3.07Å; V88-L119 PolarHBondContact O-N 3.08Å; V88-L129 HydrophobicContact CG2-CD2 4.38Å; V88-F564 HydrophobicContact CG1-CD2 4.09Å; V88-F564 HydrophobicContact CG1-CE2 3.87Å; V88-A566 HydrophobicContact CG1-CB 4.19Å; V88-A566 HydrophobicContact CG2-CB 3.86Å; V88-A566 WeakPolarHBondContact CG2-O 3.28Å |
| 89 | W | 90.3 | Very high | 82.8 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122.3 | 176.7 | -73.5 | 82.9 | 0 | 0 | 0 | 109.4 | G77 F78 A116 C117 R118 R215 W220 | G77-W89 VanDerWaalsContact CA-O 3.29Å; G77-W89 WeakPolarHBondContact CA-O 3.23Å; F78-W89 HydrophobicContact CD1-CB 3.99Å; F78-W89 HydrophobicContact CD2-CB 4.45Å; F78-W89 HydrophobicContact CE1-CB 3.42Å; F78-W89 VanDerWaalsContact CE1-CB 3.42Å; F78-W89 HydrophobicContact CE1-CG 4.03Å; F78-W89 HydrophobicContact CE2-CB 3.95Å; F78-W89 AromaticContact CE2-CD1 3.55Å; F78-W89 AromaticContact CE2-CG 3.9Å; F78-W89 HydrophobicContact CE2-CG 3.9Å; F78-W89 HydrophobicContact CG-CB 4.48Å; F78-W89 HydrophobicContact CZ-CB 3.4Å; F78-W89 AromaticContact CZ-CD1 3.59Å; F78-W89 HydrophobicContact CZ-CD2 4.34Å; F78-W89 AromaticContact CZ-CG 3.47Å; F78-W89 HydrophobicContact CZ-CG 3.47Å; F78-W89 VanDerWaalsContact CZ-CG 3.47Å; F78-W89 PolarHBondContact N-O 2.96Å; F78-W89 PolarHBondContact O-N 2.74Å; W89-A116 HydrophobicContact CE3-CB 4.04Å; W89-A116 HydrophobicContact CZ3-CB 4.15Å; W89-C117 WeakPolarHBondContact CA-O 3.46Å; W89-R118 HydrophobicContact CD2-CB 4.34Å; W89-R118 HydrophobicContact CD2-CG 4.45Å; W89-R118 HydrophobicContact CE3-CB 4.2Å; W89-R118 HydrophobicContact CH2-CB 3.73Å; W89-R118 HydrophobicContact CH2-CG 4.01Å; W89-R118 HydrophobicContact CZ2-CB 3.85Å; W89-R118 HydrophobicContact CZ2-CG 3.61Å; W89-R118 HydrophobicContact CZ3-CB 3.91Å; W89-R215 VanDerWaalsContact CZ2-NH1 3.29Å; W89-W220 HydrophobicContact CD2-CZ2 4.32Å; W89-W220 HydrophobicContact CE3-CZ2 4.02Å; W89-W220 HydrophobicContact CH2-CZ2 4.19Å; W89-W220 AromaticContact CH2-NE1 3.75Å; W89-W220 HydrophobicContact CZ2-CZ2 4.48Å; W89-W220 AromaticContact CZ3-CZ2 3.95Å; W89-W220 HydrophobicContact CZ3-CZ2 3.95Å |
| 90 | L | 90.8 | Very high | 81.1 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.5 | 166.7 | -65.9 | -179.1 | 0 | 0 | 0 | 108.4 | C117 L119 F564 L587 | L90-C117 PolarHBondContact N-O 3.25Å; L90-C117 PolarHBondContact O-N 2.79Å; L90-L119 HydrophobicContact CD1-CD1 3.72Å; L90-L119 HydrophobicContact CG-CD1 3.82Å; L90-F564 HydrophobicContact CD2-CE1 4.25Å; L90-F564 HydrophobicContact CD2-CE2 4.12Å; L90-F564 HydrophobicContact CD2-CZ 3.52Å; L90-L587 HydrophobicContact CD2-CD1 4.42Å |
| 91 | I | 93.6 | Very high | 79.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 133.3 | 178.6 | -51.5 | -178.2 | 0 | 0 | 0 | 108.1 | V75 T76 F78 V114 I115 A116 M137 L164 I178 | V75-I91 CarbonylContact C-O 3.52Å; V75-I91 WeakPolarHBondContact CA-O 3.25Å; T76-I91 HydrophobicContact CG2-CB 4.09Å; T76-I91 PolarHBondContact N-O 2.78Å; T76-I91 PolarHBondContact O-N 3.08Å; F78-I91 HydrophobicContact CE1-CD1 3.87Å; I91-V114 HydrophobicContact CG2-CG1 3.83Å; I91-I115 WeakPolarHBondContact CA-O 3.31Å; I91-A116 HydrophobicContact CD1-CB 4.1Å; I91-A116 HydrophobicContact CG1-CB 3.77Å; I91-A116 HydrophobicContact CG2-CB 4.42Å; I91-M137 HydrophobicContact CD1-CE 3.64Å; I91-M137 HydrophobicContact CD1-SD 4.11Å; I91-M137 HydrophobicContact CG2-SD 3.98Å; I91-L164 HydrophobicContact CG2-CD1 3.93Å; I91-L164 HydrophobicContact CG2-CD2 4.13Å; I91-L164 WeakPolarHBondContact O-CD2 3.33Å; I91-I178 HydrophobicContact CD1-CB 4.35Å; I91-I178 HydrophobicContact CD1-CG1 3.85Å; I91-I178 HydrophobicContact CD1-CG2 3.76Å |
| 92 | F | 92.9 | Very high | 77.8 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 143.5 | -178.2 | 41.9 | -91.9 | 0 | 0 | 0 | 111.9 | L51 V55 W72 T74 V75 V114 I115 C117 P585 | L51-F92 HydrophobicContact CD1-CE1 4.2Å; L51-F92 HydrophobicContact CD1-CZ 4.32Å; L51-F92 HydrophobicContact CD2-CE1 4.46Å; V55-F92 HydrophobicContact CG2-CE2 3.76Å; V55-F92 HydrophobicContact CG2-CZ 3.57Å; W72-F92 AromaticContact CD2-CD2 3.85Å; W72-F92 HydrophobicContact CD2-CD2 3.85Å; W72-F92 HydrophobicContact CD2-CE2 4.38Å; W72-F92 HydrophobicContact CE3-CB 4.46Å; W72-F92 AromaticContact CE3-CD2 3.52Å; W72-F92 HydrophobicContact CE3-CD2 3.52Å; W72-F92 HydrophobicContact CE3-CE2 4.27Å; W72-F92 HydrophobicContact CE3-CG 4.45Å; W72-F92 AromaticContact CH2-CD2 3.96Å; W72-F92 HydrophobicContact CH2-CD2 3.96Å; W72-F92 AromaticContact CH2-CE2 3.95Å; W72-F92 HydrophobicContact CH2-CE2 3.95Å; W72-F92 HydrophobicContact CZ2-CD2 4.25Å; W72-F92 HydrophobicContact CZ2-CE2 4.06Å; W72-F92 AromaticContact CZ3-CD2 3.58Å; W72-F92 HydrophobicContact CZ3-CD2 3.58Å; W72-F92 HydrophobicContact CZ3-CE2 4.07Å; T74-F92 WeakPolarHBondContact O-CA 3.17Å; T74-F92 VanDerWaalsContact O-CB 3.25Å; T74-F92 WeakPolarHBondContact O-CB 3.5Å; V75-F92 HydrophobicContact CB-CB 4.32Å; V75-F92 HydrophobicContact CG2-CB 4.27Å; F92-V114 WeakPolarHBondContact O-CA 3.09Å; F92-I115 HydrophobicContact CD2-CB 4.4Å; F92-I115 HydrophobicContact CE2-CB 3.88Å; F92-I115 HydrophobicContact CE2-CG2 4.25Å; F92-I115 HydrophobicContact CZ-CB 4.27Å; F92-I115 HydrophobicContact CZ-CG2 4.19Å; F92-I115 PolarHBondContact N-O 2.77Å; F92-I115 VanDerWaalsContact N-O 3.08Å; F92-I115 PolarHBondContact O-N 3.03Å; F92-I115 VanDerWaalsContact O-N 3.11Å; F92-C117 HydrophobicContact CE1-CB 4.49Å; F92-P585 HydrophobicContact CB-CG 3.82Å; F92-P585 HydrophobicContact CD1-CG 3.96Å; F92-P585 HydrophobicContact CD2-CG 4.41Å; F92-P585 HydrophobicContact CG-CG 3.81Å |
| 93 | G | 92 | Very high | 76.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 141.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T73 T74 G113 | T73-G93 PolarHBondContact N-O 3.02Å; T73-G93 PolarHBondContact OG1-O 3.16Å; T74-G93 PolarHBondContact N-O 3.12Å; T74-G93 PolarHBondContact O-N 3.08Å; T74-G93 WeakPolarHBondContact OG1-CA 3.06Å; T74-G93 PolarHBondContact OG1-N 2.92Å; G93-G113 WeakPolarHBondContact CA-O 3.43Å |
| 94 | G | 89.7 | Confident | 74.7 | Confident | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 170.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H71 G113 | H71-G94 CarbonylContact O-C 3.46Å; H71-G94 WeakPolarHBondContact O-CA 3.46Å; G94-G113 PolarHBondContact N-O 2.88Å; G94-G113 PolarHBondContact O-N 3.47Å |
| 95 | S | 88.5 | Confident | 73.8 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 10% | 0.098 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 163.7 | -175.6 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | H71 K109 A111 | H71-S95 PolarHBondContact N-O 3.43Å; H71-S95 PolarHBondContact O-N 3.02Å; S95-K109 WeakPolarHBondContact OG-CE 3.49Å; S95-A111 CarbonylContact C-O 3.57Å; S95-A111 WeakPolarHBondContact CA-O 3.48Å; S95-A111 VanDerWaalsContact CB-O 3.29Å; S95-A111 WeakPolarHBondContact CB-O 3.45Å |
| 96 | I | 86.1 | Confident | 72.8 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 129.6 | 165.8 | -56.9 | 179.1 | 0 | 0 | 0 | 108.7 | E66 L69 F70 K109 K110 A111 | E66-I96 HydrophobicContact CB-CD1 4.11Å; E66-I96 VanDerWaalsContact O-CD1 3.32Å; E66-I96 WeakPolarHBondContact O-CD1 3.22Å; L69-I96 HydrophobicContact CB-CD1 4.37Å; L69-I96 HydrophobicContact CB-CG1 4.32Å; L69-I96 HydrophobicContact CB-CG2 3.94Å; F70-I96 HydrophobicContact CD2-CD1 3.56Å; F70-I96 HydrophobicContact CD2-CG1 3.5Å; F70-I96 VanDerWaalsContact CD2-CG1 3.5Å; F70-I96 HydrophobicContact CE2-CD1 3.53Å; F70-I96 HydrophobicContact CE2-CG1 3.62Å; F70-I96 HydrophobicContact CG-CG1 4Å; F70-I96 HydrophobicContact CZ-CD1 4.47Å; F70-I96 HydrophobicContact CZ-CG1 4.23Å; I96-K109 WeakPolarHBondContact O-CA 3.42Å; I96-K110 HydrophobicContact CG2-CB 4.37Å; I96-K110 PolarHBondContact O-N 3.31Å; I96-A111 HydrophobicContact CB-CB 4.06Å; I96-A111 HydrophobicContact CD1-CB 3.86Å; I96-A111 HydrophobicContact CG1-CB 3.96Å; I96-A111 PolarHBondContact N-O 2.85Å |
| 97 | D | 77 | Confident | 72.3 | Confident | 71 Ų | 71 | 55 Ų | 55 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 149.5 | 178.7 | -71.9 | -7.5 | 0 | 0 | 0 | 112.9 | V99 K109 | D97-V99 PolarHBondContact O-N 2.79Å; D97-K109 VanDerWaalsContact OD1-CD 3.3Å; D97-K109 WeakPolarHBondContact OD1-CD 3.47Å; D97-K109 WeakPolarHBondContact OD1-CE 3.04Å; D97-K109 IonicContact OD1-NZ 3.64Å; D97-K109 PolarHBondContact OD1-NZ 3.49Å |
| 98 | R | 71.1 | Confident | 71.5 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | trans | -89.2 | 97.8 | 179.8 | -170.8 | 174.2 | 175.6 | 158.7 | -1.3 | 111.4 | A108 D144 | R98-A108 HydrophobicContact CB-CB 4.17Å; R98-A108 WeakPolarHBondContact CB-O 3.45Å; R98-A108 PolarHBondContact N-O 3.08Å; R98-D144 IonicContact CZ-OD1 2.77Å; R98-D144 IonicContact CZ-OD2 3.83Å; R98-D144 IonicContact NH1-OD1 3.27Å; R98-D144 PolarHBondContact NH1-OD1 3.33Å; R98-D144 IonicContact NH1-OD2 3.5Å; R98-D144 IonicContact NH2-OD1 3.16Å; R98-D144 PolarHBondContact NH2-OD1 3.39Å; R98-D144 IonicContact NH2-OD2 3.37Å; R98-D144 PolarHBondContact NH2-OD2 3.35Å | ||
| 99 | V | 62 | Low | 71 | Confident | 125 Ų | 125 | 56.9 Ų | 56.9 | 76% | 0.758 | 33% | 0.328 | S | S | * | . | trans | -78 | -19.6 | -168.7 | -175.9 | 0 | 0 | 0 | 0 | 115.2 | D97 | D97-V99 PolarHBondContact O-N 2.79Š| ||
| 100 | N | 51.1 | Low | 70.5 | Confident | 153 Ų | 153 | 60.1 Ų | 60.1 | 82% | 0.818 | 34% | 0.343 | S | S | * | . | trans | -117.8 | 35 | -157.1 | -88.1 | 8.7 | 0 | 0 | 0 | 117.1 | ||||
| 101 | V | 46.2 | Very low | 70.2 | Confident | 64 Ų | 64 | 59.7 Ų | 59.7 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | trans | -128.9 | 133 | 171.8 | -166.1 | 0 | 0 | 0 | 0 | 110.7 | S103 | V101-S103 WeakPolarHBondContact CG1-OG 3.22Å; V101-S103 PolarHBondContact O-N 3.23Å | ||
| 102 | S | 45.9 | Very low | 69.9 | Low | 134 Ų | 134 | 59.8 Ų | 59.8 | 94% | 0.937 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -65.4 | -3.8 | -178.8 | 46.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 103 | S | 43.2 | Very low | 69.7 | Low | 85 Ų | 85 | 59.7 Ų | 59.7 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -101.9 | 98.8 | 167 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | V101 N105 | V101-S103 WeakPolarHBondContact CG1-OG 3.22Å; V101-S103 PolarHBondContact O-N 3.23Å; S103-N105 PolarHBondContact O-N 2.87Å |
| 104 | V | 47.3 | Very low | 69.7 | Low | 136 Ų | 136 | 59.7 Ų | 59.7 | 82% | 0.824 | 34% | 0.34 | S | S | * | . | trans | -72.9 | 92.3 | -174.3 | -174.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 105 | N | 55.1 | Low | 69.9 | Low | 77 Ų | 77 | 59.6 Ų | 59.6 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | trans | -105.4 | 104.9 | 166 | -174.7 | -2.6 | 0 | 0 | 0 | 109.8 | S103 F107 A108 | S103-N105 PolarHBondContact O-N 2.87Å; N105-F107 PolarHBondContact O-N 3.4Å; N105-F107 WeakPolarHBondContact OD1-CB 3.43Å; N105-F107 WeakPolarHBondContact OD1-CD2 3.49Å; N105-F107 PolarHBondContact OD1-N 3.33Å; N105-F107 VanDerWaalsContact OD1-N 3.15Å; N105-A108 HydrophobicContact CB-CB 4.44Å; N105-A108 WeakPolarHBondContact O-CB 3.46Å; N105-A108 PolarHBondContact O-N 3.28Å | ||
| 106 | P | 56.3 | Low | 70.1 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.4 | -177 | 28.5 | -36 | 0 | 0 | 0 | 113.8 | K109 | P106-K109 PolarHBondContact O-NZ 2.65Å; P106-K109 VanDerWaalsContact O-NZ 3.16Å |
| 107 | F | 66.7 | Low | 70.4 | Confident | 103 Ų | 103 | 58.8 Ų | 58.8 | 45% | 0.452 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -6.3 | 177.1 | -56.1 | -59.1 | 0 | 0 | 0 | 114 | N105 K109 L159 L184 | N105-F107 PolarHBondContact O-N 3.4Å; N105-F107 WeakPolarHBondContact OD1-CB 3.43Å; N105-F107 WeakPolarHBondContact OD1-CD2 3.49Å; N105-F107 PolarHBondContact OD1-N 3.33Å; N105-F107 VanDerWaalsContact OD1-N 3.15Å; F107-K109 PolarHBondContact O-N 3.15Å; F107-L159 HydrophobicContact CD1-CD1 3.87Å; F107-L159 HydrophobicContact CD1-CD2 4.41Å; F107-L159 HydrophobicContact CD1-CG 4.49Å; F107-L159 HydrophobicContact CE1-CD1 4.28Å; F107-L184 HydrophobicContact CB-CD1 3.5Å; F107-L184 VanDerWaalsContact CB-CD1 3.5Å; F107-L184 HydrophobicContact CD1-CD1 4.06Å; F107-L184 HydrophobicContact CG-CD1 3.83Å |
| 108 | A | 69.2 | Low | 71 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 13% | 0.132 | 33% | 0.327 | C | S | . | . | trans | -76.7 | 103.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R98 N105 | R98-A108 HydrophobicContact CB-CB 4.17Å; R98-A108 WeakPolarHBondContact CB-O 3.45Å; R98-A108 PolarHBondContact N-O 3.08Å; N105-A108 HydrophobicContact CB-CB 4.44Å; N105-A108 WeakPolarHBondContact O-CB 3.46Å; N105-A108 PolarHBondContact O-N 3.28Å | ||
| 109 | K | 77.3 | Confident | 71.7 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 10% | 0.1 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 147.7 | 173.1 | -56 | -49.9 | -174.2 | -163.3 | 0 | 110.2 | S95 I96 D97 P106 F107 V112 I142 T158 L159 | S95-K109 WeakPolarHBondContact OG-CE 3.49Å; I96-K109 WeakPolarHBondContact O-CA 3.42Å; D97-K109 VanDerWaalsContact OD1-CD 3.3Å; D97-K109 WeakPolarHBondContact OD1-CD 3.47Å; D97-K109 WeakPolarHBondContact OD1-CE 3.04Å; D97-K109 IonicContact OD1-NZ 3.64Å; D97-K109 PolarHBondContact OD1-NZ 3.49Å; P106-K109 PolarHBondContact O-NZ 2.65Å; P106-K109 VanDerWaalsContact O-NZ 3.16Å; F107-K109 PolarHBondContact O-N 3.15Å; K109-V112 HydrophobicContact CB-CG1 4Å; K109-V112 HydrophobicContact CG-CG1 4.23Å; K109-I142 HydrophobicContact CB-CD1 4.01Å; K109-I142 VanDerWaalsContact O-CD1 3.32Å; K109-I142 WeakPolarHBondContact O-CD1 3.24Å; K109-T158 VanDerWaalsContact CG-O 3.26Å; K109-T158 WeakPolarHBondContact CG-O 3.28Å; K109-L159 HydrophobicContact CG-CD2 4.4Å |
| 110 | K | 78.9 | Confident | 72.6 | Confident | 72 Ų | 72 | 49.2 Ų | 49.2 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -31.5 | 172.9 | -173.1 | 170.9 | -177.2 | -173.5 | 0 | 112.1 | E66 I96 N141 I142 | E66-K110 IonicContact OE1-NZ 3.45Å; E66-K110 PolarHBondContact OE1-NZ 2.84Å; E66-K110 VanDerWaalsContact OE2-CD 3.22Å; E66-K110 WeakPolarHBondContact OE2-CD 3.26Å; E66-K110 WeakPolarHBondContact OE2-CE 3.02Å; E66-K110 IonicContact OE2-NZ 3.98Å; E66-K110 PolarHBondContact OE2-NZ 2.04Å; I96-K110 HydrophobicContact CG2-CB 4.37Å; I96-K110 PolarHBondContact O-N 3.31Å; K110-N141 PolarHBondContact O-OD1 2.85Å; K110-I142 WeakPolarHBondContact O-CB 3.33Å; K110-I142 PolarHBondContact O-N 2.84Å |
| 111 | A | 83.9 | Confident | 73.7 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 151.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F63 F70 S95 I96 K140 | F63-A111 HydrophobicContact CD1-CB 3.81Å; F63-A111 HydrophobicContact CE1-CB 3.29Å; F63-A111 HydrophobicContact CE2-CB 4.36Å; F63-A111 HydrophobicContact CZ-CB 3.61Å; F70-A111 HydrophobicContact CE2-CB 4.01Å; F70-A111 HydrophobicContact CZ-CB 3.83Å; S95-A111 CarbonylContact C-O 3.57Å; S95-A111 WeakPolarHBondContact CA-O 3.48Å; S95-A111 VanDerWaalsContact CB-O 3.29Å; S95-A111 WeakPolarHBondContact CB-O 3.45Å; I96-A111 HydrophobicContact CB-CB 4.06Å; I96-A111 HydrophobicContact CD1-CB 3.86Å; I96-A111 HydrophobicContact CG1-CB 3.96Å; I96-A111 PolarHBondContact N-O 2.85Å; A111-K140 WeakPolarHBondContact CA-O 3.45Å |
| 112 | V | 88 | Confident | 74.7 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149.3 | 172.9 | -66.6 | 0 | 0 | 0 | 0 | 109.9 | K109 V139 K140 I142 T158 L160 | K109-V112 HydrophobicContact CB-CG1 4Å; K109-V112 HydrophobicContact CG-CG1 4.23Å; V112-V139 WeakPolarHBondContact O-CA 3.39Å; V112-K140 HydrophobicContact CG2-CB 3.9Å; V112-K140 PolarHBondContact N-O 2.98Å; V112-K140 VanDerWaalsContact N-O 3.1Å; V112-K140 PolarHBondContact O-N 2.8Å; V112-I142 HydrophobicContact CG1-CD1 4.23Å; V112-I142 HydrophobicContact CG2-CD1 4.41Å; V112-T158 HydrophobicContact CG1-CG2 3.99Å; V112-T158 HydrophobicContact CG2-CG2 4.26Å; V112-L160 HydrophobicContact CB-CB 4.07Å; V112-L160 HydrophobicContact CG1-CB 4.46Å; V112-L160 HydrophobicContact CG2-CB 3.9Å; V112-L160 HydrophobicContact CG2-CD2 3.91Å |
| 113 | G | 88.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 134.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G93 G94 E138 | G93-G113 WeakPolarHBondContact CA-O 3.43Å; G94-G113 PolarHBondContact N-O 2.88Å; G94-G113 PolarHBondContact O-N 3.47Å; G113-E138 CarbonylContact C-O 3.52Å; G113-E138 WeakPolarHBondContact CA-O 3.42Å |
| 114 | V | 93 | Very high | 75.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.8 | 167 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | I91 F92 M137 E138 L160 Y180 | I91-V114 HydrophobicContact CG2-CG1 3.83Å; F92-V114 WeakPolarHBondContact O-CA 3.09Å; V114-M137 HydrophobicContact CB-CB 4.28Å; V114-M137 HydrophobicContact CG1-CB 4.09Å; V114-M137 HydrophobicContact CG1-SD 4.12Å; V114-M137 PolarHBondContact O-N 3.38Å; V114-E138 PolarHBondContact N-O 2.96Å; V114-E138 PolarHBondContact O-N 2.86Å; V114-L160 HydrophobicContact CG2-CG 4.36Å; V114-Y180 HydrophobicContact CG1-CD1 4.49Å; V114-Y180 HydrophobicContact CG1-CG 4.45Å; V114-Y180 HydrophobicContact CG2-CD2 4.02Å; V114-Y180 HydrophobicContact CG2-CE2 4.45Å; V114-Y180 HydrophobicContact CG2-CG 4.37Å |
| 115 | I | 93.3 | Very high | 75.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.8 | -177.7 | -59.6 | -178.7 | 0 | 0 | 0 | 108.9 | V55 I58 L59 W72 I91 F92 C134 | V55-I115 HydrophobicContact CG1-CD1 4.04Å; V55-I115 HydrophobicContact CG2-CD1 4.31Å; V55-I115 HydrophobicContact CG2-CG2 4.39Å; I58-I115 HydrophobicContact CB-CD1 4.42Å; I58-I115 HydrophobicContact CD1-CD1 4.37Å; I58-I115 HydrophobicContact CD1-CG2 3.88Å; I58-I115 HydrophobicContact CG2-CD1 4.12Å; L59-I115 HydrophobicContact CD2-CD1 4.1Å; L59-I115 HydrophobicContact CG-CD1 4.17Å; W72-I115 HydrophobicContact CH2-CD1 3.79Å; W72-I115 HydrophobicContact CH2-CG1 4.25Å; W72-I115 HydrophobicContact CZ2-CD1 4.44Å; I91-I115 WeakPolarHBondContact CA-O 3.31Å; F92-I115 HydrophobicContact CD2-CB 4.4Å; F92-I115 HydrophobicContact CE2-CB 3.88Å; F92-I115 HydrophobicContact CE2-CG2 4.25Å; F92-I115 HydrophobicContact CZ-CB 4.27Å; F92-I115 HydrophobicContact CZ-CG2 4.19Å; F92-I115 PolarHBondContact N-O 2.77Å; F92-I115 VanDerWaalsContact N-O 3.08Å; F92-I115 PolarHBondContact O-N 3.03Å; F92-I115 VanDerWaalsContact O-N 3.11Å; I115-C134 HydrophobicContact CG2-CB 4.09Å |
| 116 | A | 92.6 | Very high | 75.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | W89 I91 S135 M137 | W89-A116 HydrophobicContact CE3-CB 4.04Å; W89-A116 HydrophobicContact CZ3-CB 4.15Å; I91-A116 HydrophobicContact CD1-CB 4.1Å; I91-A116 HydrophobicContact CG1-CB 3.77Å; I91-A116 HydrophobicContact CG2-CB 4.42Å; A116-S135 PolarHBondContact N-O 3.38Å; A116-S135 PolarHBondContact O-N 3.22Å; A116-S135 PolarHBondContact O-OG 3.4Å; A116-M137 HydrophobicContact CB-CE 3.75Å; A116-M137 HydrophobicContact CB-CG 3.81Å; A116-M137 HydrophobicContact CB-SD 3.99Å |
| 117 | C | 92.1 | Very high | 75.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.7 | -177.8 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | L51 W89 L90 F92 L131 E133 C134 | L51-C117 HydrophobicContact CD1-CB 3.63Å; L51-C117 WeakPolarHBondContact CD1-SG 3.05Å; W89-C117 WeakPolarHBondContact CA-O 3.46Å; L90-C117 PolarHBondContact N-O 3.25Å; L90-C117 PolarHBondContact O-N 2.79Å; F92-C117 HydrophobicContact CE1-CB 4.49Å; C117-L131 HydrophobicContact CB-CD1 3.99Å; C117-E133 WeakPolarHBondContact CA-O 3.2Å; C117-C134 HydrophobicContact CB-CB 4.14Å; C117-C134 WeakPolarHBondContact CB-SG 3.43Å; C117-C134 WeakPolarHBondContact SG-CB 3.42Å; C117-C134 CovalentContact SG-SG 2.04Å; C117-C134 PolarHBondContact SG-SG 2.93Å |
| 118 | R | 90 | Very high | 74.8 | Confident | 61 Ų | 61 | 35.7 Ų | 35.7 | 23% | 0.23 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.1 | -175.4 | -171.7 | -171.2 | 167.1 | -125.5 | -11.7 | 110 | V87 W89 D132 E133 | V87-R118 HydrophobicContact CG1-CG 3.56Å; W89-R118 HydrophobicContact CD2-CB 4.34Å; W89-R118 HydrophobicContact CD2-CG 4.45Å; W89-R118 HydrophobicContact CE3-CB 4.2Å; W89-R118 HydrophobicContact CH2-CB 3.73Å; W89-R118 HydrophobicContact CH2-CG 4.01Å; W89-R118 HydrophobicContact CZ2-CB 3.85Å; W89-R118 HydrophobicContact CZ2-CG 3.61Å; W89-R118 HydrophobicContact CZ3-CB 3.91Å; R118-D132 HydrophobicContact CB-CB 4.44Å; R118-D132 VanDerWaalsContact CD-OD2 3.24Å; R118-D132 WeakPolarHBondContact CD-OD2 3.4Å; R118-D132 HydrophobicContact CG-CB 4.47Å; R118-D132 VanDerWaalsContact CG-OD2 3.26Å; R118-D132 WeakPolarHBondContact CG-OD2 3.32Å; R118-D132 IonicContact CZ-OD2 3.98Å; R118-D132 IonicContact NE-OD2 3.64Å; R118-D132 PolarHBondContact NE-OD2 3.19Å; R118-D132 VanDerWaalsContact NE-OD2 3.14Å; R118-D132 VanDerWaalsContact NH1-CG 3.3Å; R118-D132 IonicContact NH1-OD1 2.66Å; R118-D132 IonicContact NH1-OD2 2.76Å; R118-D132 PolarHBondContact NH1-OD2 3.28Å; R118-D132 IonicContact NH2-OD2 3.6Å; R118-D132 PolarHBondContact O-N 3Å; R118-E133 HydrophobicContact CB-CG 4.22Å; R118-E133 PolarHBondContact N-O 2.82Å |
| 119 | L | 85.7 | Confident | 74.8 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123 | 174.8 | -65.4 | 155.3 | 0 | 0 | 0 | 108.7 | I47 V87 V88 L90 L129 H130 L131 | I47-L119 HydrophobicContact CG2-CD2 4.43Å; V87-L119 CarbonylContact C-O 3.54Å; V87-L119 WeakPolarHBondContact CA-O 3.44Å; V88-L119 HydrophobicContact CB-CB 4.22Å; V88-L119 HydrophobicContact CG1-CD1 4.47Å; V88-L119 PolarHBondContact N-O 3.07Å; V88-L119 PolarHBondContact O-N 3.08Å; L90-L119 HydrophobicContact CD1-CD1 3.72Å; L90-L119 HydrophobicContact CG-CD1 3.82Å; L119-L129 HydrophobicContact CB-CD2 4.35Å; L119-L129 HydrophobicContact CD2-CB 4.49Å; L119-H130 CarbonylContact C-O 3.58Å; L119-H130 WeakPolarHBondContact CA-O 3.31Å; L119-L131 HydrophobicContact CD2-CB 4.03Å; L119-L131 HydrophobicContact CD2-CD1 3.97Å; L119-L131 HydrophobicContact CG-CD1 4.38Å |
| 120 | T | 81.6 | Confident | 74.7 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 12% | 0.123 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 138.8 | 170.1 | 38.8 | 0 | 0 | 0 | 0 | 111.3 | V87 L129 H130 D132 | V87-T120 HydrophobicContact CG2-CG2 4.01Å; T120-L129 CarbonylContact O-C 3.59Å; T120-L129 WeakPolarHBondContact O-CA 3.43Å; T120-H130 PolarHBondContact N-O 3.1Å; T120-H130 PolarHBondContact O-N 2.78Å; T120-D132 WeakPolarHBondContact CG2-OD1 3.44Å; T120-D132 WeakPolarHBondContact CG2-OD2 3.36Å; T120-D132 PolarHBondContact N-OD2 2.93Å; T120-D132 PolarHBondContact OG1-OD1 3.31Å |
| 121 | Y | 74.2 | Confident | 74.8 | Confident | 42 Ų | 42 | 35.5 Ų | 35.5 | 17% | 0.165 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.3 | 163.2 | -177.6 | -91.7 | 0 | 0 | 0 | 110.3 | R86 W128 D567 | R86-Y121 HydrophobicContact CB-CG 4.46Å; R86-Y121 WeakPolarHBondContact O-CB 3.43Å; R86-Y121 PolarHBondContact O-N 3.21Å; Y121-W128 CarbonylContact C-O 3.55Å; Y121-W128 WeakPolarHBondContact CA-O 3.32Å; Y121-W128 HydrophobicContact CD2-CB 4.15Å; Y121-W128 HydrophobicContact CE2-CB 3.84Å; Y121-W128 HydrophobicContact CE2-CD2 4.31Å; Y121-W128 HydrophobicContact CE2-CE3 4.32Å; Y121-W128 HydrophobicContact CE2-CG 4.15Å; Y121-D567 HydrophobicContact CD2-CB 3.87Å; Y121-D567 HydrophobicContact CE2-CB 3.83Å |
| 122 | N | 67.3 | Low | 74.8 | Confident | 40 Ų | 40 | 37.9 Ų | 37.9 | 21% | 0.214 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 124.3 | 168.3 | -176.2 | 8.9 | 0 | 0 | 0 | 110.8 | E124 Y125 W128 | N122-E124 VanDerWaalsContact C-N 3.29Å; N122-E124 PolarHBondContact O-N 2.91Å; N122-E124 PolarHBondContact OD1-N 2.79Å; N122-Y125 HydrophobicContact CB-CD2 3.68Å; N122-Y125 HydrophobicContact CB-CE2 4.02Å; N122-Y125 VanDerWaalsContact ND2-CE2 3.34Å; N122-Y125 WeakPolarHBondContact ND2-CE2 3.31Å; N122-Y125 PolarHBondContact O-N 3.02Å; N122-W128 PolarHBondContact N-O 2.58Å |
| 123 | S | 58.4 | Low | 74.8 | Confident | 90 Ų | 90 | 42.8 Ų | 42.8 | 63% | 0.629 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18 | 177.4 | 48.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 124 | E | 51.2 | Low | 74.9 | Confident | 170 Ų | 170 | 43.8 Ų | 43.8 | 79% | 0.794 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -19.7 | 177.9 | -63.6 | -175.8 | 153.9 | 0 | 0 | 113.1 | N122 | N122-E124 VanDerWaalsContact C-N 3.29Å; N122-E124 PolarHBondContact O-N 2.91Å; N122-E124 PolarHBondContact OD1-N 2.79Å |
| 125 | Y | 49.7 | Very low | 74.8 | Confident | 112 Ų | 112 | 45.2 Ų | 45.2 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -87.5 | 137.6 | 174.2 | -60.9 | -44.9 | 0 | 0 | 0 | 110.2 | N122 L127 W128 H130 | N122-Y125 HydrophobicContact CB-CD2 3.68Å; N122-Y125 HydrophobicContact CB-CE2 4.02Å; N122-Y125 VanDerWaalsContact ND2-CE2 3.34Å; N122-Y125 WeakPolarHBondContact ND2-CE2 3.31Å; N122-Y125 PolarHBondContact O-N 3.02Å; Y125-L127 PolarHBondContact O-N 3.14Å; Y125-W128 PolarHBondContact O-N 3.09Å; Y125-H130 HydrophobicContact CD2-CB 4.09Å; Y125-H130 HydrophobicContact CE2-CB 4.11Å |
| 126 | S | 44.5 | Very low | 74.6 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 10 | 172 | 46.4 | 0 | 0 | 0 | 0 | 115.6 | L758 | S126-L758 WeakPolarHBondContact CB-O 3.28Š|
| 127 | L | 51 | Low | 74.3 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.6 | -19.6 | -156.6 | -97.8 | 150.9 | 0 | 0 | 0 | 113.5 | F42 T45 Y125 L129 L758 | F42-L127 HydrophobicContact CE1-CD2 3.57Å; F42-L127 HydrophobicContact CZ-CD2 3.8Å; F42-L127 WeakPolarHBondContact CZ-O 3.13Å; T45-L127 HydrophobicContact CG2-CD1 3.5Å; T45-L127 VanDerWaalsContact CG2-CD1 3.5Å; T45-L127 HydrophobicContact CG2-CD2 3.18Å; T45-L127 HydrophobicContact CG2-CG 3.75Å; T45-L127 WeakPolarHBondContact OG1-CD2 3.1Å; Y125-L127 PolarHBondContact O-N 3.14Å; L127-L129 PolarHBondContact O-N 2.63Å; L127-L758 HydrophobicContact CD1-CD2 3.96Å |
| 128 | W | 60.2 | Low | 74.1 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 62 | -45.8 | 179.3 | -59.1 | 0.4 | 0 | 0 | 0 | 115.8 | Y121 N122 Y125 D567 N762 K763 Q764 | Y121-W128 CarbonylContact C-O 3.55Å; Y121-W128 WeakPolarHBondContact CA-O 3.32Å; Y121-W128 HydrophobicContact CD2-CB 4.15Å; Y121-W128 HydrophobicContact CE2-CB 3.84Å; Y121-W128 HydrophobicContact CE2-CD2 4.31Å; Y121-W128 HydrophobicContact CE2-CE3 4.32Å; Y121-W128 HydrophobicContact CE2-CG 4.15Å; N122-W128 PolarHBondContact N-O 2.58Å; Y125-W128 PolarHBondContact O-N 3.09Å; W128-D567 HydrophobicContact CE3-CB 3.97Å; W128-D567 VanDerWaalsContact CE3-OD2 3.25Å; W128-D567 HydrophobicContact CZ3-CB 4.37Å; W128-D567 WeakPolarHBondContact CZ3-OD2 3.42Å; W128-N762 WeakPolarHBondContact CZ2-OD1 3.41Å; W128-N762 PolarHBondContact NE1-OD1 2.84Å; W128-K763 HydrophobicContact CD2-CB 4.43Å; W128-K763 HydrophobicContact CE3-CB 4.01Å; W128-K763 HydrophobicContact CE3-CD 4.06Å; W128-K763 HydrophobicContact CE3-CG 4.32Å; W128-K763 VanDerWaalsContact CH2-C 3.5Å; W128-K763 HydrophobicContact CH2-CB 3.33Å; W128-K763 HydrophobicContact CH2-CD 4.18Å; W128-K763 HydrophobicContact CH2-CG 3.64Å; W128-K763 HydrophobicContact CZ2-CB 3.78Å; W128-K763 HydrophobicContact CZ3-CB 3.47Å; W128-K763 VanDerWaalsContact CZ3-CB 3.47Å; W128-K763 HydrophobicContact CZ3-CD 3.5Å; W128-K763 VanDerWaalsContact CZ3-CD 3.5Å; W128-K763 HydrophobicContact CZ3-CG 3.5Å; W128-Q764 HydrophobicContact CH2-CB 3.8Å; W128-Q764 HydrophobicContact CH2-CG 3.62Å; W128-Q764 HydrophobicContact CZ2-CB 3.77Å; W128-Q764 HydrophobicContact CZ2-CG 3.96Å |
| 129 | L | 69.1 | Low | 73.9 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 120.3 | 176.9 | -65.9 | 171 | 0 | 0 | 0 | 110.3 | I47 V88 L119 T120 L127 A566 L587 | I47-L129 HydrophobicContact CD1-CB 4.37Å; I47-L129 VanDerWaalsContact CD1-O 3.31Å; I47-L129 WeakPolarHBondContact CD1-O 3.4Å; V88-L129 HydrophobicContact CG2-CD2 4.38Å; L119-L129 HydrophobicContact CB-CD2 4.35Å; L119-L129 HydrophobicContact CD2-CB 4.49Å; T120-L129 CarbonylContact O-C 3.59Å; T120-L129 WeakPolarHBondContact O-CA 3.43Å; L127-L129 PolarHBondContact O-N 2.63Å; L129-A566 HydrophobicContact CD1-CB 4.28Å; L129-L587 HydrophobicContact CD1-CD2 4.46Å |
| 130 | H | 75.6 | Confident | 73.8 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 37% | 0.366 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130 | 172.2 | 177.6 | 63.8 | 0 | 0 | 0 | 109.8 | L119 T120 Y125 D132 | L119-H130 CarbonylContact C-O 3.58Å; L119-H130 WeakPolarHBondContact CA-O 3.31Å; T120-H130 PolarHBondContact N-O 3.1Å; T120-H130 PolarHBondContact O-N 2.78Å; Y125-H130 HydrophobicContact CD2-CB 4.09Å; Y125-H130 HydrophobicContact CE2-CB 4.11Å; H130-D132 IonicContact CD2-OD1 3.5Å; H130-D132 PolarHBondContact O-N 3.09Å |
| 131 | L | 80.7 | Confident | 73.6 | Confident | 12 Ų | 12 | 55.7 Ų | 55.7 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 103.9 | 173.3 | -178.7 | 75 | 0 | 0 | 0 | 109.5 | E50 L51 C117 L119 | E50-L131 VanDerWaalsContact C-CD2 3.46Å; E50-L131 HydrophobicContact CB-CD2 3.93Å; L51-L131 HydrophobicContact CB-CD2 4.25Å; L51-L131 HydrophobicContact CD1-CD1 4.02Å; L51-L131 HydrophobicContact CD1-CD2 4.42Å; C117-L131 HydrophobicContact CB-CD1 3.99Å; L119-L131 HydrophobicContact CD2-CB 4.03Å; L119-L131 HydrophobicContact CD2-CD1 3.97Å; L119-L131 HydrophobicContact CG-CD1 4.38Å |
| 132 | D | 84.2 | Confident | 73.5 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -53.8 | -179.7 | -52.2 | -59.2 | 0 | 0 | 0 | 111 | R118 T120 H130 | R118-D132 HydrophobicContact CB-CB 4.44Å; R118-D132 VanDerWaalsContact CD-OD2 3.24Å; R118-D132 WeakPolarHBondContact CD-OD2 3.4Å; R118-D132 HydrophobicContact CG-CB 4.47Å; R118-D132 VanDerWaalsContact CG-OD2 3.26Å; R118-D132 WeakPolarHBondContact CG-OD2 3.32Å; R118-D132 IonicContact CZ-OD2 3.98Å; R118-D132 IonicContact NE-OD2 3.64Å; R118-D132 PolarHBondContact NE-OD2 3.19Å; R118-D132 VanDerWaalsContact NE-OD2 3.14Å; R118-D132 VanDerWaalsContact NH1-CG 3.3Å; R118-D132 IonicContact NH1-OD1 2.66Å; R118-D132 IonicContact NH1-OD2 2.76Å; R118-D132 PolarHBondContact NH1-OD2 3.28Å; R118-D132 IonicContact NH2-OD2 3.6Å; R118-D132 PolarHBondContact O-N 3Å; T120-D132 WeakPolarHBondContact CG2-OD1 3.44Å; T120-D132 WeakPolarHBondContact CG2-OD2 3.36Å; T120-D132 PolarHBondContact N-OD2 2.93Å; T120-D132 PolarHBondContact OG1-OD1 3.31Å; H130-D132 IonicContact CD2-OD1 3.5Å; H130-D132 PolarHBondContact O-N 3.09Å |
| 133 | E | 87.4 | Confident | 73.1 | Confident | 104 Ų | 104 | 56.4 Ų | 56.4 | 49% | 0.486 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 157.3 | -173.3 | 61.6 | 179.8 | 174.2 | 0 | 0 | 111.5 | C117 R118 | C117-E133 WeakPolarHBondContact CA-O 3.2Å; R118-E133 HydrophobicContact CB-CG 4.22Å; R118-E133 PolarHBondContact N-O 2.82Å |
| 134 | C | 91 | Very high | 72.7 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 14% | 0.135 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142.4 | 160.9 | -69.6 | 0 | 0 | 0 | 0 | 109.2 | I58 I115 C117 | I58-C134 HydrophobicContact CD1-CB 3.56Å; I58-C134 WeakPolarHBondContact CD1-O 3.23Å; I115-C134 HydrophobicContact CG2-CB 4.09Å; C117-C134 HydrophobicContact CB-CB 4.14Å; C117-C134 WeakPolarHBondContact CB-SG 3.43Å; C117-C134 WeakPolarHBondContact SG-CB 3.42Å; C117-C134 CovalentContact SG-SG 2.04Å; C117-C134 PolarHBondContact SG-SG 2.93Å |
| 135 | S | 90.2 | Very high | 72.4 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 22% | 0.217 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.5 | -178.5 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | A116 M137 | A116-S135 PolarHBondContact N-O 3.38Å; A116-S135 PolarHBondContact O-N 3.22Å; A116-S135 PolarHBondContact O-OG 3.4Å; S135-M137 PolarHBondContact O-N 3.42Å |
| 136 | P | 89.2 | Confident | 71.8 | Confident | 72 Ų | 72 | 59.1 Ų | 59.1 | 47% | 0.468 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 127 | 172 | 27.6 | -31.2 | 0 | 0 | 0 | 109.9 | I58 V139 | I58-P136 HydrophobicContact CG2-CB 3.84Å; I58-P136 HydrophobicContact CG2-CG 4.07Å; P136-V139 HydrophobicContact CB-CG2 3.74Å |
| 137 | M | 87.8 | Confident | 71.3 | Confident | 34 Ų | 34 | 64 Ų | 64 | 17% | 0.167 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -46.1 | 168.7 | -71.9 | -168.6 | 148.6 | 0 | 0 | 111.2 | I91 V114 A116 S135 Y180 R213 W220 | I91-M137 HydrophobicContact CD1-CE 3.64Å; I91-M137 HydrophobicContact CD1-SD 4.11Å; I91-M137 HydrophobicContact CG2-SD 3.98Å; V114-M137 HydrophobicContact CB-CB 4.28Å; V114-M137 HydrophobicContact CG1-CB 4.09Å; V114-M137 HydrophobicContact CG1-SD 4.12Å; V114-M137 PolarHBondContact O-N 3.38Å; A116-M137 HydrophobicContact CB-CE 3.75Å; A116-M137 HydrophobicContact CB-CG 3.81Å; A116-M137 HydrophobicContact CB-SD 3.99Å; S135-M137 PolarHBondContact O-N 3.42Å; M137-Y180 HydrophobicContact CB-CE1 4.48Å; M137-Y180 HydrophobicContact SD-CE1 4.31Å; M137-R213 HydrophobicContact CE-CG 4.42Å; M137-W220 HydrophobicContact CE-CH2 3.19Å; M137-W220 HydrophobicContact CE-CZ2 3.69Å; M137-W220 HydrophobicContact CE-CZ3 3.74Å |
| 138 | E | 88.1 | Confident | 70.7 | Confident | 29 Ų | 29 | 71.3 Ų | 71.3 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 128.8 | 172.3 | -170.8 | 166.5 | 160.6 | 0 | 0 | 108.3 | G113 V114 L160 Y180 R209 H211 | G113-E138 CarbonylContact C-O 3.52Å; G113-E138 WeakPolarHBondContact CA-O 3.42Å; V114-E138 PolarHBondContact N-O 2.96Å; V114-E138 PolarHBondContact O-N 2.86Å; E138-L160 HydrophobicContact CB-CD2 3.98Å; E138-L160 HydrophobicContact CG-CD2 3.6Å; E138-Y180 HydrophobicContact CB-CE2 4.24Å; E138-Y180 PolarHBondContact OE2-OH 3.47Å; E138-R209 IonicContact OE1-CZ 3.38Å; E138-R209 IonicContact OE1-NH1 2.6Å; E138-R209 PolarHBondContact OE1-NH1 3.39Å; E138-R209 VanDerWaalsContact OE1-NH1 3.09Å; E138-R209 IonicContact OE1-NH2 2.62Å; E138-R209 PolarHBondContact OE1-NH2 2.98Å; E138-R209 VanDerWaalsContact OE1-NH2 3.15Å; E138-H211 IonicContact OE1-CE1 2.85Å; E138-H211 IonicContact OE2-CE1 2.71Å; E138-H211 PolarHBondContact OE2-CE1 3.37Å; E138-H211 IonicContact OE2-CG 3.69Å; E138-H211 IonicContact OE2-ND1 2.67Å; E138-H211 PolarHBondContact OE2-ND1 2.94Å; E138-H211 IonicContact OE2-NE2 2.78Å |
| 139 | V | 85.9 | Confident | 69.7 | Low | 34 Ų | 34 | 79.4 Ų | 79.4 | 21% | 0.206 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 128.7 | 178.6 | 176 | 0 | 0 | 0 | 0 | 107.3 | N62 F63 V112 P136 | N62-V139 HydrophobicContact CB-CG1 4.32Å; F63-V139 HydrophobicContact CE2-CG1 3.35Å; F63-V139 HydrophobicContact CZ-CG1 3.5Å; F63-V139 VanDerWaalsContact CZ-CG1 3.5Å; V112-V139 WeakPolarHBondContact O-CA 3.39Å; P136-V139 HydrophobicContact CB-CG2 3.74Å |
| 140 | K | 81.8 | Confident | 68.1 | Low | 45 Ų | 45 | 82.9 Ų | 82.9 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 142.2 | -175.6 | -71.6 | -173.9 | 164.1 | -157.2 | 0 | 112.5 | F63 A111 V112 E155 | F63-K140 WeakPolarHBondContact CZ-O 3.3Å; A111-K140 WeakPolarHBondContact CA-O 3.45Å; V112-K140 HydrophobicContact CG2-CB 3.9Å; V112-K140 PolarHBondContact N-O 2.98Å; V112-K140 VanDerWaalsContact N-O 3.1Å; V112-K140 PolarHBondContact O-N 2.8Å; K140-E155 IonicContact NZ-OE1 3.15Å; K140-E155 PolarHBondContact NZ-OE1 3.01Å; K140-E155 IonicContact NZ-OE2 3.96Å; K140-E155 PolarHBondContact NZ-OE2 2.81Å |
| 141 | N | 78.4 | Confident | 66.1 | Low | 89 Ų | 89 | 85.4 Ų | 85.4 | 48% | 0.476 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131.4 | 168.8 | -171.6 | -2.8 | 0 | 0 | 0 | 108.8 | F63 K110 | F63-N141 HydrophobicContact CD1-CB 4.45Å; F63-N141 HydrophobicContact CE1-CB 3.77Å; K110-N141 PolarHBondContact O-OD1 2.85Å |
| 142 | I | 72.3 | Confident | 64 | Low | 13 Ų | 13 | 92.9 Ų | 92.9 | 7% | 0.067 | 49% | 0.485 | C | S | . | . | trans | -113 | 87.9 | -173.3 | -56.2 | 147 | 0 | 0 | 0 | 106.8 | K109 K110 V112 E155 T158 | K109-I142 HydrophobicContact CB-CD1 4.01Å; K109-I142 VanDerWaalsContact O-CD1 3.32Å; K109-I142 WeakPolarHBondContact O-CD1 3.24Å; K110-I142 WeakPolarHBondContact O-CB 3.33Å; K110-I142 PolarHBondContact O-N 2.84Å; V112-I142 HydrophobicContact CG1-CD1 4.23Å; V112-I142 HydrophobicContact CG2-CD1 4.41Å; I142-E155 VanDerWaalsContact CG2-O 3.25Å; I142-E155 WeakPolarHBondContact CG2-O 3Å; I142-T158 HydrophobicContact CD1-CG2 3.28Å; I142-T158 HydrophobicContact CG1-CG2 4.06Å | ||
| 143 | S | 57.8 | Low | 62.3 | Low | 85 Ų | 85 | 95.8 Ų | 95.8 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | trans | -108.6 | 140.1 | -175.5 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | Q145 | S143-Q145 PolarHBondContact O-N 3.39Å; S143-Q145 VanDerWaalsContact O-N 3.08Å | ||
| 144 | D | 51.4 | Low | 60.4 | Low | 106 Ų | 106 | 94.1 Ų | 94.1 | 57% | 0.567 | 49% | 0.488 | S | S | * | . | trans | -75 | 11 | -174.7 | -54.6 | -75.2 | 0 | 0 | 0 | 115.4 | R98 E146 | R98-D144 IonicContact CZ-OD1 2.77Å; R98-D144 IonicContact CZ-OD2 3.83Å; R98-D144 IonicContact NH1-OD1 3.27Å; R98-D144 PolarHBondContact NH1-OD1 3.33Å; R98-D144 IonicContact NH1-OD2 3.5Å; R98-D144 IonicContact NH2-OD1 3.16Å; R98-D144 PolarHBondContact NH2-OD1 3.39Å; R98-D144 IonicContact NH2-OD2 3.37Å; R98-D144 PolarHBondContact NH2-OD2 3.35Å; D144-E146 PolarHBondContact O-N 3.25Å | ||
| 145 | Q | 44.4 | Very low | 58.6 | Low | 182 Ų | 182 | 96.9 Ų | 96.9 | 85% | 0.85 | 50% | 0.499 | S | S | * | . | trans | -81.3 | 82.9 | -170.9 | -74.7 | -166.3 | -33.4 | 0 | 0 | 112.8 | S143 N147 | S143-Q145 PolarHBondContact O-N 3.39Å; S143-Q145 VanDerWaalsContact O-N 3.08Å; Q145-N147 PolarHBondContact O-N 3.24Å; Q145-N147 VanDerWaalsContact O-N 3.07Å | ||
| 146 | E | 36.8 | Very low | 57 | Low | 141 Ų | 141 | 97.1 Ų | 97.1 | 66% | 0.659 | 51% | 0.506 | S | S | * | . | trans | -59.2 | 98.1 | 160.8 | -64.4 | -178.2 | 145 | 0 | 0 | 110.6 | D144 H154 | D144-E146 PolarHBondContact O-N 3.25Å; E146-H154 IonicContact OE1-CE1 2.97Å; E146-H154 PolarHBondContact OE1-CE1 2.88Å; E146-H154 VanDerWaalsContact OE1-CE1 3.3Å | ||
| 147 | N | 33 | Very low | 55.8 | Low | 143 Ų | 143 | 95.6 Ų | 95.6 | 77% | 0.765 | 50% | 0.496 | S | S | * | . | trans | -83.7 | 107.6 | 154.9 | -90.3 | -27.9 | 0 | 0 | 0 | 107.5 | Q145 Q149 | Q145-N147 PolarHBondContact O-N 3.24Å; Q145-N147 VanDerWaalsContact O-N 3.07Å; N147-Q149 PolarHBondContact O-N 2.87Å | ||
| 148 | E | 38.4 | Very low | 55.3 | Low | 195 Ų | 195 | 94.3 Ų | 94.3 | 91% | 0.911 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 5.4 | -169.2 | -62.9 | -176 | 121.9 | 0 | 0 | 117 | ||
| 149 | Q | 39.4 | Very low | 55 | Low | 187 Ų | 187 | 94 Ų | 94 | 87% | 0.874 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 3.6 | -170.2 | -65.6 | -172.2 | -11.2 | 0 | 0 | 115.2 | N147 | N147-Q149 PolarHBondContact O-N 2.87Š|
| 150 | V | 35.6 | Very low | 55.1 | Low | 87 Ų | 87 | 92.5 Ų | 92.5 | 53% | 0.527 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -136.4 | 121.5 | 176.7 | -165.5 | 0 | 0 | 0 | 0 | 111.4 | K152 | V150-K152 HydrophobicContact CG1-CD 3.94Å; V150-K152 HydrophobicContact CG1-CG 3.94Å; V150-K152 PolarHBondContact O-N 3.14Å |
| 151 | P | 34 | Very low | 55.4 | Low | 132 Ų | 132 | 90.4 Ų | 90.4 | 86% | 0.857 | 47% | 0.471 | S | S | * | . | trans | -72.3 | 95.8 | 172.9 | 30.3 | -32.9 | 0 | 0 | 0 | 109.4 | ||||
| 152 | K | 37.9 | Very low | 55.9 | Low | 170 Ų | 170 | 88.7 Ų | 88.7 | 74% | 0.739 | 46% | 0.464 | S | S | * | . | trans | -127.1 | 142.6 | 173.3 | -81.5 | 174.9 | 177 | 178.2 | 0 | 109.6 | V150 H154 | V150-K152 HydrophobicContact CG1-CD 3.94Å; V150-K152 HydrophobicContact CG1-CG 3.94Å; V150-K152 PolarHBondContact O-N 3.14Å; K152-H154 PolarHBondContact O-N 2.88Å | ||
| 153 | H | 47.2 | Very low | 56.8 | Low | 113 Ų | 113 | 88.6 Ų | 88.6 | 52% | 0.523 | 46% | 0.464 | S | S | . | . | trans | -54 | 132.6 | -170.7 | -48.7 | -59.2 | 0 | 0 | 0 | 112.6 | E155 G188 | H153-E155 PolarHBondContact O-N 2.6Å; H153-G188 PolarHBondContact ND1-O 3.17Å | ||
| 154 | H | 47.8 | Very low | 58.6 | Low | 68 Ų | 68 | 85.7 Ų | 85.7 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | trans | -66.9 | 115.9 | 166.7 | -64.8 | -70.4 | 0 | 0 | 0 | 108.9 | E146 K152 H186 E204 | E146-H154 IonicContact OE1-CE1 2.97Å; E146-H154 PolarHBondContact OE1-CE1 2.88Å; E146-H154 VanDerWaalsContact OE1-CE1 3.3Å; K152-H154 PolarHBondContact O-N 2.88Å; H154-H186 PolarHBondContact O-CE1 3.46Å; H154-E204 IonicContact CD2-OE1 3.58Å | ||
| 155 | E | 53.6 | Low | 60.6 | Low | 78 Ų | 78 | 81.3 Ų | 81.3 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | trans | -98.9 | 31 | 175.9 | -60.5 | -157.9 | 141.1 | 0 | 0 | 112.2 | K140 I142 H153 T157 | K140-E155 IonicContact NZ-OE1 3.15Å; K140-E155 PolarHBondContact NZ-OE1 3.01Å; K140-E155 IonicContact NZ-OE2 3.96Å; K140-E155 PolarHBondContact NZ-OE2 2.81Å; I142-E155 VanDerWaalsContact CG2-O 3.25Å; I142-E155 WeakPolarHBondContact CG2-O 3Å; H153-E155 PolarHBondContact O-N 2.6Å; E155-T157 VanDerWaalsContact C-N 3.28Å; E155-T157 PolarHBondContact O-N 2.93Å; E155-T157 VanDerWaalsContact O-N 3.16Å | ||
| 156 | G | 55.7 | Low | 62.9 | Low | 36 Ų | 36 | 73.7 Ų | 73.7 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | trans | -66.2 | -17.4 | -166 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 157 | T | 65 | Low | 65.5 | Low | 40 Ų | 40 | 68.9 Ų | 68.9 | 25% | 0.245 | 37% | 0.367 | C | S | . | . | trans | -136.9 | 123.6 | 175.4 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | E155 | E155-T157 VanDerWaalsContact C-N 3.28Å; E155-T157 PolarHBondContact O-N 2.93Å; E155-T157 VanDerWaalsContact O-N 3.16Å | ||
| 158 | T | 76.2 | Confident | 68.2 | Low | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.049 | 35% | 0.348 | C | S | . | . | trans | -150.9 | 145.8 | 178.7 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | K109 V112 I142 L160 D182 | K109-T158 VanDerWaalsContact CG-O 3.26Å; K109-T158 WeakPolarHBondContact CG-O 3.28Å; V112-T158 HydrophobicContact CG1-CG2 3.99Å; V112-T158 HydrophobicContact CG2-CG2 4.26Å; I142-T158 HydrophobicContact CD1-CG2 3.28Å; I142-T158 HydrophobicContact CG1-CG2 4.06Å; T158-L160 PolarHBondContact OG1-N 3.3Å; T158-D182 WeakPolarHBondContact CA-OD1 3.25Å; T158-D182 PolarHBondContact OG1-OD1 2.83Å; T158-D182 VanDerWaalsContact OG1-OD1 3.08Å; T158-D182 PolarHBondContact OG1-OD2 2.95Å | ||
| 159 | L | 82.7 | Confident | 70.5 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | trans | -126.6 | 41.1 | 173.3 | -71 | -179.5 | 0 | 0 | 0 | 110.3 | F107 K109 G161 V162 D182 P183 L184 | F107-L159 HydrophobicContact CD1-CD1 3.87Å; F107-L159 HydrophobicContact CD1-CD2 4.41Å; F107-L159 HydrophobicContact CD1-CG 4.49Å; F107-L159 HydrophobicContact CE1-CD1 4.28Å; K109-L159 HydrophobicContact CG-CD2 4.4Å; L159-G161 PolarHBondContact O-N 2.83Å; L159-V162 HydrophobicContact CB-CB 4Å; L159-V162 HydrophobicContact CB-CG1 3.8Å; L159-V162 HydrophobicContact CD1-CG1 4.5Å; L159-V162 VanDerWaalsContact O-CB 3.3Å; L159-V162 WeakPolarHBondContact O-CB 3.42Å; L159-V162 VanDerWaalsContact O-CG1 3.24Å; L159-V162 WeakPolarHBondContact O-CG1 3.34Å; L159-V162 PolarHBondContact O-N 3.09Å; L159-D182 PolarHBondContact N-OD1 3.17Å; L159-P183 HydrophobicContact CB-CG 4.17Å; L159-P183 HydrophobicContact CD1-CG 4.37Å; L159-L184 HydrophobicContact CB-CG 4.49Å; L159-L184 HydrophobicContact CD1-CD1 3.74Å; L159-L184 HydrophobicContact CD1-CG 3.87Å; L159-L184 HydrophobicContact CG-CD1 3.71Å; L159-L184 HydrophobicContact CG-CG 3.98Å | ||
| 160 | L | 88.1 | Confident | 72.3 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 121.2 | 179.4 | -174.9 | 72.6 | 0 | 0 | 0 | 112.1 | V112 V114 E138 T158 Y180 D182 | V112-L160 HydrophobicContact CB-CB 4.07Å; V112-L160 HydrophobicContact CG1-CB 4.46Å; V112-L160 HydrophobicContact CG2-CB 3.9Å; V112-L160 HydrophobicContact CG2-CD2 3.91Å; V114-L160 HydrophobicContact CG2-CG 4.36Å; E138-L160 HydrophobicContact CB-CD2 3.98Å; E138-L160 HydrophobicContact CG-CD2 3.6Å; T158-L160 PolarHBondContact OG1-N 3.3Å; L160-Y180 HydrophobicContact CD1-CD2 3.84Å; L160-Y180 HydrophobicContact CD1-CE2 3.89Å; L160-Y180 HydrophobicContact CG-CD2 4.45Å; L160-D182 HydrophobicContact CB-CB 4.13Å; L160-D182 HydrophobicContact CD1-CB 3.84Å |
| 161 | G | 87.4 | Confident | 74 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 4.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T74 L159 S163 C181 | T74-G161 VanDerWaalsContact CG2-O 3.27Å; T74-G161 WeakPolarHBondContact CG2-O 3.14Å; T74-G161 PolarHBondContact OG1-O 3.17Å; L159-G161 PolarHBondContact O-N 2.83Å; G161-S163 PolarHBondContact O-N 3.18Å; G161-C181 PolarHBondContact N-O 2.84Å |
| 162 | V | 88.4 | Confident | 75.6 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -64.4 | -26 | 174.3 | 76.6 | 0 | 0 | 0 | 0 | 112.6 | T74 L159 P183 | T74-V162 WeakPolarHBondContact CG2-O 3.24Å; L159-V162 HydrophobicContact CB-CB 4Å; L159-V162 HydrophobicContact CB-CG1 3.8Å; L159-V162 HydrophobicContact CD1-CG1 4.5Å; L159-V162 VanDerWaalsContact O-CB 3.3Å; L159-V162 WeakPolarHBondContact O-CB 3.42Å; L159-V162 VanDerWaalsContact O-CG1 3.24Å; L159-V162 WeakPolarHBondContact O-CG1 3.34Å; L159-V162 PolarHBondContact O-N 3.09Å; V162-P183 HydrophobicContact CG1-CG 3.68Å |
| 163 | S | 91.9 | Very high | 77.3 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.4 | 161.4 | 66.9 | 0 | 0 | 0 | 0 | 108.7 | G161 Y180 C181 G248 F249 | G161-S163 PolarHBondContact O-N 3.18Å; S163-Y180 WeakPolarHBondContact O-CA 3.44Å; S163-C181 PolarHBondContact O-N 3.11Å; S163-C181 VanDerWaalsContact O-N 3.09Å; S163-C181 VanDerWaalsContact OG-CB 3.29Å; S163-C181 WeakPolarHBondContact OG-CB 3.41Å; S163-G248 WeakPolarHBondContact CB-O 3.16Å; S163-G248 PolarHBondContact OG-O 3.33Å; S163-F249 WeakPolarHBondContact CB-O 3.31Å |
| 164 | L | 94.5 | Very high | 78.8 | Confident | 24 Ų | 24 | 47 Ų | 47 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 137.8 | -174.2 | 172.5 | 65.5 | 0 | 0 | 0 | 108.1 | T76 I91 I178 | T76-L164 HydrophobicContact CG2-CD1 4.05Å; T76-L164 HydrophobicContact CG2-CD2 4.18Å; T76-L164 HydrophobicContact CG2-CG 3.77Å; I91-L164 HydrophobicContact CG2-CD1 3.93Å; I91-L164 HydrophobicContact CG2-CD2 4.13Å; I91-L164 WeakPolarHBondContact O-CD2 3.33Å; L164-I178 HydrophobicContact CD1-CG2 4.28Å |
| 165 | G | 93.4 | Very high | 80.6 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 146.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | V179 | G165-V179 PolarHBondContact N-O 3.16Å; G165-V179 VanDerWaalsContact N-O 3.09Å; G165-V179 PolarHBondContact O-N 3.15Å |
| 166 | S | 93.8 | Very high | 82.3 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 153.3 | 174.1 | 48.5 | 0 | 0 | 0 | 0 | 112.1 | T76 G77 V177 | T76-S166 WeakPolarHBondContact CG2-OG 3.31Å; T76-S166 PolarHBondContact OG1-N 3.47Å; T76-S166 PolarHBondContact OG1-OG 2.82Å; T76-S166 VanDerWaalsContact OG1-OG 3.07Å; G77-S166 PolarHBondContact O-OG 2.84Å; G77-S166 VanDerWaalsContact O-OG 3.05Å; S166-V177 CarbonylContact C-O 3.51Å; S166-V177 VanDerWaalsContact CA-O 3.24Å; S166-V177 WeakPolarHBondContact CA-O 3.3Å |
| 167 | L | 91.8 | Very high | 84.1 | Confident | 40 Ų | 40 | 38.4 Ų | 38.4 | 21% | 0.209 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 112.4 | 172.1 | 178.6 | 63.6 | 0 | 0 | 0 | 108.5 | A176 V177 L253 Q255 I276 | L167-A176 CarbonylContact O-C 3.56Å; L167-A176 WeakPolarHBondContact O-CA 3.46Å; L167-A176 VanDerWaalsContact O-CB 3.31Å; L167-A176 WeakPolarHBondContact O-CB 3.41Å; L167-V177 PolarHBondContact N-O 2.94Å; L167-V177 PolarHBondContact O-N 3.27Å; L167-L253 HydrophobicContact CB-CB 3.98Å; L167-L253 HydrophobicContact CB-CD1 3.94Å; L167-L253 HydrophobicContact CD2-CB 3.92Å; L167-Q255 HydrophobicContact CD2-CB 4.18Å; L167-I276 HydrophobicContact CD2-CD1 3.95Å; L167-I276 HydrophobicContact CD2-CG2 4.14Å |
| 168 | E | 88.7 | Confident | 85.4 | Confident | 79 Ų | 79 | 36.5 Ų | 36.5 | 37% | 0.369 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 141.1 | 169.1 | -177.3 | 170.8 | 156.5 | 0 | 0 | 110 | F78 K79 | F78-E168 HydrophobicContact CB-CB 4.38Å; K79-E168 WeakPolarHBondContact CB-OE2 3.16Å; K79-E168 PolarHBondContact N-OE2 2.75Å; K79-E168 VanDerWaalsContact N-OE2 3.1Å |
| 169 | F | 86.6 | Confident | 86.3 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 140.7 | 178.2 | -63.6 | -41.4 | 0 | 0 | 0 | 112.3 | I173 G175 V177 L214 P274 I276 L297 | F169-I173 HydrophobicContact CB-CB 4.17Å; F169-I173 HydrophobicContact CB-CG2 4.18Å; F169-I173 HydrophobicContact CD2-CG2 3.75Å; F169-I173 HydrophobicContact CE2-CG2 4.49Å; F169-I173 HydrophobicContact CG-CG2 4.22Å; F169-G175 WeakPolarHBondContact CD2-O 3.37Å; F169-G175 PolarHBondContact N-O 3.3Å; F169-V177 HydrophobicContact CE1-CG2 3.59Å; F169-V177 HydrophobicContact CZ-CG2 3.6Å; F169-L214 HydrophobicContact CE2-CD1 3.89Å; F169-L214 HydrophobicContact CZ-CD1 3.58Å; F169-P274 HydrophobicContact CD1-CG 3.41Å; F169-P274 VanDerWaalsContact CD1-CG 3.41Å; F169-P274 HydrophobicContact CE1-CG 3.42Å; F169-P274 VanDerWaalsContact CE1-CG 3.42Å; F169-P274 HydrophobicContact CG-CG 4.02Å; F169-P274 HydrophobicContact CZ-CG 4.07Å; F169-I276 HydrophobicContact CD1-CD1 4.28Å; F169-I276 HydrophobicContact CE1-CD1 3.95Å; F169-I276 HydrophobicContact CE1-CG1 4.08Å; F169-L297 HydrophobicContact CE1-CD1 4.13Å; F169-L297 HydrophobicContact CZ-CD1 3.88Å |
| 170 | E | 77.9 | Confident | 86.9 | Confident | 105 Ų | 105 | 35.1 Ų | 35.1 | 49% | 0.491 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 138.2 | 171.5 | -60.3 | -173.5 | 152.6 | 0 | 0 | 111.2 | I173 | E170-I173 PolarHBondContact O-N 2.9Š|
| 171 | K | 70.2 | Confident | 87.1 | Confident | 182 Ų | 182 | 34.9 Ų | 34.9 | 79% | 0.791 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 139.6 | 177.1 | -68.1 | 176.4 | -177.1 | 169.3 | 0 | 110.5 | ||
| 172 | P | 68.6 | Low | 87.2 | Confident | 132 Ų | 132 | 34.9 Ų | 34.9 | 86% | 0.857 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -92.9 | 1.5 | 17.6 | 36.5 | -37.7 | 0 | 0 | 0 | 115.6 | S174 | P172-S174 PolarHBondContact O-N 3.48Š|
| 173 | I | 73.9 | Confident | 87.2 | Confident | 36 Ų | 36 | 32.4 Ų | 32.4 | 19% | 0.185 | 17% | 0.173 | C | C | . | . | trans | -76.9 | 124.4 | -175.1 | -55.4 | -179.2 | 0 | 0 | 0 | 109.3 | F169 E170 P274 | F169-I173 HydrophobicContact CB-CB 4.17Å; F169-I173 HydrophobicContact CB-CG2 4.18Å; F169-I173 HydrophobicContact CD2-CG2 3.75Å; F169-I173 HydrophobicContact CE2-CG2 4.49Å; F169-I173 HydrophobicContact CG-CG2 4.22Å; E170-I173 PolarHBondContact O-N 2.9Å; I173-P274 HydrophobicContact CD1-CG 4.46Å | ||
| 174 | S | 78.9 | Confident | 86.8 | Confident | 25 Ų | 25 | 33 Ų | 33 | 18% | 0.175 | 18% | 0.176 | C | C | . | . | trans | -94.6 | 125.9 | 175.2 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | E80 I81 P172 H216 N217 | E80-S174 WeakPolarHBondContact CG-OG 3.34Å; I81-S174 PolarHBondContact N-OG 3.04Å; I81-S174 PolarHBondContact O-OG 3.29Å; P172-S174 PolarHBondContact O-N 3.48Å; S174-H216 PolarHBondContact O-ND1 2.68Å; S174-N217 PolarHBondContact O-N 2.84Å | ||
| 175 | G | 84.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146 | -176.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F169 R215 | F169-G175 WeakPolarHBondContact CD2-O 3.37Å; F169-G175 PolarHBondContact N-O 3.3Å; G175-R215 CarbonylContact C-O 3.48Å; G175-R215 WeakPolarHBondContact CA-O 3.38Å |
| 176 | A | 90.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 158.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | F78 L167 I178 R215 | F78-A176 HydrophobicContact CB-CB 4.15Å; F78-A176 HydrophobicContact CD1-CB 4.12Å; F78-A176 HydrophobicContact CD2-CB 3.27Å; F78-A176 HydrophobicContact CE1-CB 4.35Å; F78-A176 HydrophobicContact CE2-CB 3.58Å; F78-A176 HydrophobicContact CG-CB 3.57Å; F78-A176 HydrophobicContact CZ-CB 4.11Å; L167-A176 CarbonylContact O-C 3.56Å; L167-A176 WeakPolarHBondContact O-CA 3.46Å; L167-A176 VanDerWaalsContact O-CB 3.31Å; L167-A176 WeakPolarHBondContact O-CB 3.41Å; A176-I178 HydrophobicContact CB-CD1 4.29Å; A176-R215 PolarHBondContact N-O 2.92Å; A176-R215 PolarHBondContact O-N 3.35Å |
| 177 | V | 92.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 139.7 | 163.8 | -171.3 | 0 | 0 | 0 | 0 | 109.2 | S166 L167 F169 V179 I212 L214 I276 I296 L297 | S166-V177 CarbonylContact C-O 3.51Å; S166-V177 VanDerWaalsContact CA-O 3.24Å; S166-V177 WeakPolarHBondContact CA-O 3.3Å; L167-V177 PolarHBondContact N-O 2.94Å; L167-V177 PolarHBondContact O-N 3.27Å; F169-V177 HydrophobicContact CE1-CG2 3.59Å; F169-V177 HydrophobicContact CZ-CG2 3.6Å; V177-V179 HydrophobicContact CG1-CG2 4.28Å; V177-I212 HydrophobicContact CG1-CG2 4.06Å; V177-L214 HydrophobicContact CG2-CD1 4.16Å; V177-I276 HydrophobicContact CG2-CG1 4.04Å; V177-I296 HydrophobicContact CG1-CD1 4.01Å; V177-L297 HydrophobicContact CG1-CD2 4.29Å; V177-L297 HydrophobicContact CG2-CD1 3.75Å; V177-L297 HydrophobicContact CG2-CD2 3.78Å; V177-L297 HydrophobicContact CG2-CG 4.09Å |
| 178 | I | 93.5 | Very high | 81.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.3 | 176 | -54.9 | 91.2 | 0 | 0 | 0 | 107.6 | F78 I91 L164 A176 R213 R215 W220 | F78-I178 HydrophobicContact CD1-CD1 4.3Å; F78-I178 HydrophobicContact CD1-CG1 4.07Å; F78-I178 HydrophobicContact CE1-CD1 3.52Å; F78-I178 HydrophobicContact CE1-CG1 3.57Å; F78-I178 HydrophobicContact CZ-CD1 3.73Å; F78-I178 HydrophobicContact CZ-CG1 4.3Å; I91-I178 HydrophobicContact CD1-CB 4.35Å; I91-I178 HydrophobicContact CD1-CG1 3.85Å; I91-I178 HydrophobicContact CD1-CG2 3.76Å; L164-I178 HydrophobicContact CD1-CG2 4.28Å; A176-I178 HydrophobicContact CB-CD1 4.29Å; I178-R213 HydrophobicContact CB-CB 4.31Å; I178-R213 PolarHBondContact N-O 2.89Å; I178-R213 PolarHBondContact O-N 2.87Å; I178-R215 HydrophobicContact CD1-CB 4.45Å; I178-W220 HydrophobicContact CD1-CH2 3.83Å; I178-W220 HydrophobicContact CD1-CZ3 3.77Å |
| 179 | V | 94.4 | Very high | 80 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.2 | 175.4 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | G165 V177 C210 H211 I212 F251 L253 L278 I296 | G165-V179 PolarHBondContact N-O 3.16Å; G165-V179 VanDerWaalsContact N-O 3.09Å; G165-V179 PolarHBondContact O-N 3.15Å; V177-V179 HydrophobicContact CG1-CG2 4.28Å; V179-C210 HydrophobicContact CG1-CB 4.1Å; V179-H211 WeakPolarHBondContact CA-O 3.05Å; V179-I212 HydrophobicContact CG2-CG1 4.39Å; V179-F251 HydrophobicContact CB-CE1 4.4Å; V179-F251 HydrophobicContact CB-CE2 3.8Å; V179-F251 HydrophobicContact CB-CZ 3.69Å; V179-F251 HydrophobicContact CG1-CD1 4.49Å; V179-F251 HydrophobicContact CG1-CD2 4.49Å; V179-F251 HydrophobicContact CG1-CE1 4.04Å; V179-F251 HydrophobicContact CG1-CE2 4.07Å; V179-F251 HydrophobicContact CG1-CZ 3.82Å; V179-F251 VanDerWaalsContact O-CZ 3.29Å; V179-F251 WeakPolarHBondContact O-CZ 3.33Å; V179-L253 HydrophobicContact CG2-CD1 4.24Å; V179-L253 HydrophobicContact CG2-CD2 4.09Å; V179-L278 HydrophobicContact CG1-CD1 4.49Å; V179-I296 HydrophobicContact CG2-CD1 4.09Å |
| 180 | Y | 94.6 | Very high | 77.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 136.8 | 171.2 | 61.5 | -90.8 | 0 | 0 | 0 | 109.2 | V114 M137 E138 L160 S163 H211 R213 | V114-Y180 HydrophobicContact CG1-CD1 4.49Å; V114-Y180 HydrophobicContact CG1-CG 4.45Å; V114-Y180 HydrophobicContact CG2-CD2 4.02Å; V114-Y180 HydrophobicContact CG2-CE2 4.45Å; V114-Y180 HydrophobicContact CG2-CG 4.37Å; M137-Y180 HydrophobicContact CB-CE1 4.48Å; M137-Y180 HydrophobicContact SD-CE1 4.31Å; E138-Y180 HydrophobicContact CB-CE2 4.24Å; E138-Y180 PolarHBondContact OE2-OH 3.47Å; L160-Y180 HydrophobicContact CD1-CD2 3.84Å; L160-Y180 HydrophobicContact CD1-CE2 3.89Å; L160-Y180 HydrophobicContact CG-CD2 4.45Å; S163-Y180 WeakPolarHBondContact O-CA 3.44Å; Y180-H211 HydrophobicContact CD1-CB 4.14Å; Y180-H211 HydrophobicContact CD2-CB 3.95Å; Y180-H211 HydrophobicContact CE1-CB 3.73Å; Y180-H211 HydrophobicContact CE2-CB 3.52Å; Y180-H211 AromaticContact CE2-CG 3.6Å; Y180-H211 AromaticContact CE2-ND1 3.84Å; Y180-H211 HydrophobicContact CG-CB 4.24Å; Y180-H211 AromaticContact CZ-CG 3.77Å; Y180-H211 AromaticContact CZ-ND1 3.82Å; Y180-H211 PolarHBondContact N-O 3.13Å; Y180-H211 PolarHBondContact O-N 2.92Å; Y180-H211 PolarHBondContact OH-ND1 2.84Å; Y180-R213 HydrophobicContact CE1-CG 3.85Å; Y180-R213 PolarHBondContact OH-NH2 3.09Å |
| 181 | C | 93.7 | Very high | 76 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 161.4 | -173.1 | -45.6 | 0 | 0 | 0 | 0 | 113.3 | G161 S163 R209 C210 G248 | G161-C181 PolarHBondContact N-O 2.84Å; S163-C181 PolarHBondContact O-N 3.11Å; S163-C181 VanDerWaalsContact O-N 3.09Å; S163-C181 VanDerWaalsContact OG-CB 3.29Å; S163-C181 WeakPolarHBondContact OG-CB 3.41Å; C181-R209 CarbonylContact C-O 3.45Å; C181-R209 VanDerWaalsContact CA-O 3.23Å; C181-R209 WeakPolarHBondContact CA-O 3.35Å; C181-R209 VanDerWaalsContact CB-O 3.29Å; C181-R209 WeakPolarHBondContact CB-O 3.26Å; C181-C210 HydrophobicContact CB-CB 4Å; C181-C210 WeakPolarHBondContact CB-SG 3.32Å; C181-C210 WeakPolarHBondContact SG-CB 3.24Å; C181-C210 CovalentContact SG-SG 2.04Å; C181-C210 PolarHBondContact SG-SG 3.05Å; C181-G248 WeakPolarHBondContact CB-O 3.37Å |
| 182 | D | 89.7 | Confident | 74.4 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 89.2 | 176.7 | 178.4 | 4.2 | 0 | 0 | 0 | 107.2 | T158 L159 L160 L184 W185 G208 R209 | T158-D182 WeakPolarHBondContact CA-OD1 3.25Å; T158-D182 PolarHBondContact OG1-OD1 2.83Å; T158-D182 VanDerWaalsContact OG1-OD1 3.08Å; T158-D182 PolarHBondContact OG1-OD2 2.95Å; L159-D182 PolarHBondContact N-OD1 3.17Å; L160-D182 HydrophobicContact CB-CB 4.13Å; L160-D182 HydrophobicContact CD1-CB 3.84Å; D182-L184 PolarHBondContact O-N 3.01Å; D182-W185 HydrophobicContact CB-CB 4.41Å; D182-W185 PolarHBondContact O-N 3.15Å; D182-G208 CarbonylContact O-C 3.56Å; D182-G208 VanDerWaalsContact O-CA 3.28Å; D182-G208 WeakPolarHBondContact O-CA 3.4Å; D182-R209 HydrophobicContact CB-CG 3.84Å; D182-R209 PolarHBondContact N-O 2.71Å; D182-R209 PolarHBondContact O-N 2.82Å; D182-R209 IonicContact OD2-CZ 3.53Å; D182-R209 IonicContact OD2-NE 3.86Å; D182-R209 PolarHBondContact OD2-NE 2.9Å; D182-R209 IonicContact OD2-NH2 3.7Å; D182-R209 PolarHBondContact OD2-NH2 3.24Å |
| 183 | P | 88.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -16.2 | -173.7 | 26.2 | -35.1 | 0 | 0 | 0 | 113.6 | L159 V162 G208 G246 F249 | L159-P183 HydrophobicContact CB-CG 4.17Å; L159-P183 HydrophobicContact CD1-CG 4.37Å; V162-P183 HydrophobicContact CG1-CG 3.68Å; P183-G208 WeakPolarHBondContact O-CA 3.43Å; P183-G246 WeakPolarHBondContact CB-O 3.45Å; P183-G246 WeakPolarHBondContact O-CA 3.29Å; P183-F249 HydrophobicContact CB-CB 4.1Å; P183-F249 HydrophobicContact CB-CD2 4.33Å; P183-F249 HydrophobicContact CG-CB 4.47Å; P183-F249 HydrophobicContact CG-CD2 4.04Å |
| 184 | L | 82.5 | Confident | 70.8 | Confident | 24 Ų | 24 | 58 Ų | 58 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -1.8 | -179.5 | -62.5 | -169.1 | 0 | 0 | 0 | 114.4 | F107 L159 D182 H186 A206 | F107-L184 HydrophobicContact CB-CD1 3.5Å; F107-L184 VanDerWaalsContact CB-CD1 3.5Å; F107-L184 HydrophobicContact CD1-CD1 4.06Å; F107-L184 HydrophobicContact CG-CD1 3.83Å; L159-L184 HydrophobicContact CB-CG 4.49Å; L159-L184 HydrophobicContact CD1-CD1 3.74Å; L159-L184 HydrophobicContact CD1-CG 3.87Å; L159-L184 HydrophobicContact CG-CD1 3.71Å; L159-L184 HydrophobicContact CG-CG 3.98Å; D182-L184 PolarHBondContact O-N 3.01Å; L184-H186 PolarHBondContact O-CD2 3.15Å; L184-A206 HydrophobicContact CD2-CB 4.16Å |
| 185 | W | 81.7 | Confident | 69 | Low | 41 Ų | 41 | 66.6 Ų | 66.6 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | trans | -59.5 | 140.2 | 179.7 | -177.1 | 78.9 | 0 | 0 | 0 | 113.4 | D182 T187 G207 G208 R209 R234 T237 | D182-W185 HydrophobicContact CB-CB 4.41Å; D182-W185 PolarHBondContact O-N 3.15Å; W185-T187 HydrophobicContact CH2-CG2 3.4Å; W185-T187 HydrophobicContact CZ2-CG2 4.17Å; W185-T187 HydrophobicContact CZ3-CG2 3.9Å; W185-G207 PolarHBondContact O-N 2.66Å; W185-G208 PolarHBondContact O-N 3.04Å; W185-R209 HydrophobicContact CB-CB 4.34Å; W185-R209 HydrophobicContact CB-CG 3.68Å; W185-R209 VanDerWaalsContact CD1-NE 3.26Å; W185-R209 HydrophobicContact CD2-CB 4.17Å; W185-R209 HydrophobicContact CD2-CG 4.08Å; W185-R209 HydrophobicContact CE3-CB 4.07Å; W185-R209 HydrophobicContact CE3-CG 4.47Å; W185-R209 HydrophobicContact CG-CB 4.29Å; W185-R209 HydrophobicContact CG-CG 3.72Å; W185-R234 HydrophobicContact CH2-CG 4.08Å; W185-R234 HydrophobicContact CZ3-CB 4.1Å; W185-R234 HydrophobicContact CZ3-CG 3.9Å; W185-T237 HydrophobicContact CZ3-CG2 4.28Å | ||
| 186 | H | 72.2 | Confident | 66.9 | Low | 20 Ų | 20 | 70.4 Ų | 70.4 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | trans | -140.7 | 157 | -179.1 | 56.3 | 98.3 | 0 | 0 | 0 | 112.5 | H154 L184 G188 E204 Q205 | H154-H186 PolarHBondContact O-CE1 3.46Å; L184-H186 PolarHBondContact O-CD2 3.15Å; H186-G188 PolarHBondContact O-N 2.65Å; H186-E204 IonicContact CE1-OE2 2.85Å; H186-E204 PolarHBondContact CE1-OE2 3.38Å; H186-E204 IonicContact ND1-OE2 2.68Å; H186-Q205 WeakPolarHBondContact CB-O 3.22Å | ||
| 187 | T | 62.6 | Low | 64.2 | Low | 74 Ų | 74 | 76.9 Ų | 76.9 | 45% | 0.454 | 37% | 0.368 | S | S | . | . | trans | -91.1 | 94.1 | 176.6 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | W185 E189 | W185-T187 HydrophobicContact CH2-CG2 3.4Å; W185-T187 HydrophobicContact CZ2-CG2 4.17Å; W185-T187 HydrophobicContact CZ3-CG2 3.9Å; T187-E189 PolarHBondContact O-N 3.03Å | ||
| 188 | G | 52.5 | Low | 61.5 | Low | 10 Ų | 10 | 84.3 Ų | 84.3 | 10% | 0.103 | 41% | 0.408 | C | S | . | . | trans | -80.8 | 94.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | H153 H186 | H153-G188 PolarHBondContact ND1-O 3.17Å; H186-G188 PolarHBondContact O-N 2.65Å | ||
| 189 | E | 49.6 | Very low | 58.5 | Low | 152 Ų | 152 | 91.6 Ų | 91.6 | 71% | 0.71 | 45% | 0.446 | S | S | * | . | trans | -123.7 | 100.1 | 164.1 | -79.3 | -165 | 174.5 | 0 | 0 | 111.1 | T187 K191 | T187-E189 PolarHBondContact O-N 3.03Å; E189-K191 PolarHBondContact O-N 2.86Å | ||
| 190 | R | 43.8 | Very low | 55.5 | Low | 151 Ų | 151 | 100.6 Ų | 100.6 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | trans | -75.9 | 104.6 | 165.8 | -76.4 | -170.6 | -176.2 | 164.6 | 10.9 | 110.1 | Y192 | R190-Y192 VanDerWaalsContact C-N 3.32Å; R190-Y192 HydrophobicContact CB-CD2 3.8Å; R190-Y192 HydrophobicContact CB-CE2 3.7Å; R190-Y192 VanDerWaalsContact CD-CE2 3.48Å; R190-Y192 HydrophobicContact CG-CE2 4.25Å; R190-Y192 PolarHBondContact NH1-OH 2.88Å; R190-Y192 PolarHBondContact O-N 3.33Å | ||
| 191 | K | 38 | Very low | 52.5 | Low | 190 Ų | 190 | 109.1 Ų | 109.1 | 83% | 0.826 | 53% | 0.528 | S | S | * | . | trans | -71.5 | 83.8 | 165.2 | -80.7 | -175.1 | 176.7 | 174.4 | 0 | 111.1 | E189 R193 | E189-K191 PolarHBondContact O-N 2.86Å; K191-R193 PolarHBondContact O-N 2.85Å | ||
| 192 | Y | 37 | Very low | 50 | Low | 184 Ų | 184 | 120.3 Ų | 120.3 | 72% | 0.722 | 57% | 0.572 | S | S | * | * | trans | -71.1 | 85.6 | 168.2 | -81.6 | -83 | 0 | 0 | 0 | 111.3 | R190 | R190-Y192 VanDerWaalsContact C-N 3.32Å; R190-Y192 HydrophobicContact CB-CD2 3.8Å; R190-Y192 HydrophobicContact CB-CE2 3.7Å; R190-Y192 VanDerWaalsContact CD-CE2 3.48Å; R190-Y192 HydrophobicContact CG-CE2 4.25Å; R190-Y192 PolarHBondContact NH1-OH 2.88Å; R190-Y192 PolarHBondContact O-N 3.33Å | ||
| 193 | R | 32.2 | Very low | 48 | Very low | 245 Ų | 245 | 127.3 Ų | 127.3 | 93% | 0.925 | 60% | 0.604 | S | S | * | * | trans | -158.3 | 53.4 | 168.1 | -132.5 | 177.8 | -170.1 | -173.8 | 3.1 | 117.6 | K191 | K191-R193 PolarHBondContact O-N 2.85Š| ||
| 194 | S | 34.4 | Very low | 46.5 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 62% | 0.624 | S | S | * | * | trans | -155.5 | 143.7 | 149.9 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | S196 | S194-S196 VanDerWaalsContact C-N 3.31Å; S194-S196 PolarHBondContact OG-OG 2.85Å | ||
| 195 | Q | 39.8 | Very low | 45.7 | Very low | 205 Ų | 205 | 134 Ų | 134 | 96% | 0.958 | 64% | 0.635 | S | S | * | * | trans | -92.6 | 14.5 | 175.4 | -93.9 | 167.5 | -46.4 | 0 | 0 | 112.7 | V197 | Q195-V197 PolarHBondContact O-N 2.82Š| ||
| 196 | S | 41.4 | Very low | 45.3 | Very low | 83 Ų | 83 | 132.9 Ų | 132.9 | 58% | 0.58 | 63% | 0.634 | S | S | * | * | trans | -85.8 | 104.6 | 179.3 | 54.1 | 0 | 0 | 0 | 0 | 110.7 | S194 L198 | S194-S196 VanDerWaalsContact C-N 3.31Å; S194-S196 PolarHBondContact OG-OG 2.85Å; S196-L198 PolarHBondContact O-N 2.84Å | ||
| 197 | V | 33.8 | Very low | 45.6 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 99.6 | 169.9 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | Q195 | Q195-V197 PolarHBondContact O-N 2.82Š|
| 198 | L | 34.6 | Very low | 46.7 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 82% | 0.822 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.5 | -27.6 | 144.8 | -124.7 | 75.1 | 0 | 0 | 0 | 115.8 | S196 | S196-L198 PolarHBondContact O-N 2.84Š|
| 199 | D | 31.5 | Very low | 48.4 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 81% | 0.813 | 61% | 0.608 | S | S | * | * | trans | -109 | 51.8 | -165.1 | -71.6 | -41.4 | 0 | 0 | 0 | 116.6 | ||||
| 200 | M | 30.4 | Very low | 50.4 | Low | 190 Ų | 190 | 121.5 Ų | 121.5 | 94% | 0.936 | 57% | 0.574 | S | S | * | * | trans | -99.8 | 82.2 | 175.8 | -75 | -176.8 | 66 | 0 | 0 | 113 | ||||
| 201 | K | 33.4 | Very low | 52.7 | Low | 178 Ų | 178 | 114.6 Ų | 114.6 | 77% | 0.774 | 55% | 0.548 | S | S | * | . | trans | -148.1 | 30.4 | 174 | -142.3 | -178.3 | -177.8 | -178.6 | 0 | 117.6 | Q203 | K201-Q203 PolarHBondContact O-N 3.44Š| ||
| 202 | Y | 41 | Very low | 55.2 | Low | 236 Ų | 236 | 106 Ų | 106 | 93% | 0.925 | 51% | 0.511 | S | S | * | . | trans | -83.8 | 92.7 | 162.5 | -71.1 | -78.4 | 0 | 0 | 0 | 109.4 | ||||
| 203 | Q | 48 | Very low | 57.7 | Low | 147 Ų | 147 | 100 Ų | 100 | 69% | 0.687 | 49% | 0.487 | S | S | * | . | trans | -71.9 | 143.7 | 169.7 | -71.8 | 179.9 | -73 | 0 | 0 | 109.9 | K201 Q205 | K201-Q203 PolarHBondContact O-N 3.44Å; Q203-Q205 PolarHBondContact O-N 2.82Å | ||
| 204 | E | 56.9 | Low | 60.4 | Low | 91 Ų | 91 | 88.3 Ų | 88.3 | 43% | 0.425 | 44% | 0.443 | S | S | . | . | trans | -68.1 | 119.1 | 175.6 | -63 | 177.1 | -179.9 | 0 | 0 | 109.2 | H154 H186 | H154-E204 IonicContact CD2-OE1 3.58Å; H186-E204 IonicContact CE1-OE2 2.85Å; H186-E204 PolarHBondContact CE1-OE2 3.38Å; H186-E204 IonicContact ND1-OE2 2.68Å | ||
| 205 | Q | 65.8 | Low | 63 | Low | 75 Ų | 75 | 84 Ų | 84 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | trans | -117.3 | 130.7 | -173 | -74.1 | 173 | -20.6 | 0 | 0 | 110.8 | H186 Q203 G207 Q243 P244 | H186-Q205 WeakPolarHBondContact CB-O 3.22Å; Q203-Q205 PolarHBondContact O-N 2.82Å; Q205-G207 PolarHBondContact O-N 2.96Å; Q205-G207 VanDerWaalsContact O-N 3.14Å; Q205-Q243 HydrophobicContact CB-CB 3.8Å; Q205-Q243 HydrophobicContact CG-CB 4.48Å; Q205-Q243 PolarHBondContact OE1-O 2.97Å; Q205-P244 HydrophobicContact CB-CB 4.14Å | ||
| 206 | A | 73.3 | Confident | 65.1 | Low | 17 Ų | 17 | 75.2 Ų | 75.2 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | trans | -63.5 | 107.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L184 P244 C245 G246 | L184-A206 HydrophobicContact CD2-CB 4.16Å; A206-P244 HydrophobicContact CB-CB 4.07Å; A206-P244 CarbonylContact O-C 3.44Å; A206-P244 VanDerWaalsContact O-CA 3.22Å; A206-P244 WeakPolarHBondContact O-CA 3.32Å; A206-P244 WeakPolarHBondContact O-CB 3.48Å; A206-C245 PolarHBondContact O-N 2.95Å; A206-G246 PolarHBondContact O-N 2.78Å | ||
| 207 | G | 77.6 | Confident | 66.8 | Low | 3 Ų | 3 | 76 Ų | 76 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | trans | -82.9 | -44.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W185 Q205 F235 C245 G246 G247 | W185-G207 PolarHBondContact O-N 2.66Å; Q205-G207 PolarHBondContact O-N 2.96Å; Q205-G207 VanDerWaalsContact O-N 3.14Å; G207-F235 CarbonylContact C-O 3.6Å; G207-F235 WeakPolarHBondContact CA-O 3.35Å; G207-F235 WeakPolarHBondContact O-CB 3.37Å; G207-C245 PolarHBondContact O-SG 3.33Å; G207-G246 PolarHBondContact O-N 2.75Å; G207-G247 PolarHBondContact O-N 3.04Å | ||
| 208 | G | 86.7 | Confident | 68.9 | Low | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | 89.9 | 154.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | D182 P183 W185 F235 | D182-G208 CarbonylContact O-C 3.56Å; D182-G208 VanDerWaalsContact O-CA 3.28Å; D182-G208 WeakPolarHBondContact O-CA 3.4Å; P183-G208 WeakPolarHBondContact O-CA 3.43Å; W185-G208 PolarHBondContact O-N 3.04Å; G208-F235 PolarHBondContact O-N 3.08Å | ||
| 209 | R | 88.2 | Confident | 71.2 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 5% | 0.053 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 147.6 | 177.1 | 64 | 179.8 | 173.2 | 138.4 | 4.4 | 111.8 | E138 C181 D182 W185 H211 I232 I233 | E138-R209 IonicContact OE1-CZ 3.38Å; E138-R209 IonicContact OE1-NH1 2.6Å; E138-R209 PolarHBondContact OE1-NH1 3.39Å; E138-R209 VanDerWaalsContact OE1-NH1 3.09Å; E138-R209 IonicContact OE1-NH2 2.62Å; E138-R209 PolarHBondContact OE1-NH2 2.98Å; E138-R209 VanDerWaalsContact OE1-NH2 3.15Å; C181-R209 CarbonylContact C-O 3.45Å; C181-R209 VanDerWaalsContact CA-O 3.23Å; C181-R209 WeakPolarHBondContact CA-O 3.35Å; C181-R209 VanDerWaalsContact CB-O 3.29Å; C181-R209 WeakPolarHBondContact CB-O 3.26Å; D182-R209 HydrophobicContact CB-CG 3.84Å; D182-R209 PolarHBondContact N-O 2.71Å; D182-R209 PolarHBondContact O-N 2.82Å; D182-R209 IonicContact OD2-CZ 3.53Å; D182-R209 IonicContact OD2-NE 3.86Å; D182-R209 PolarHBondContact OD2-NE 2.9Å; D182-R209 IonicContact OD2-NH2 3.7Å; D182-R209 PolarHBondContact OD2-NH2 3.24Å; W185-R209 HydrophobicContact CB-CB 4.34Å; W185-R209 HydrophobicContact CB-CG 3.68Å; W185-R209 VanDerWaalsContact CD1-NE 3.26Å; W185-R209 HydrophobicContact CD2-CB 4.17Å; W185-R209 HydrophobicContact CD2-CG 4.08Å; W185-R209 HydrophobicContact CE3-CB 4.07Å; W185-R209 HydrophobicContact CE3-CG 4.47Å; W185-R209 HydrophobicContact CG-CB 4.29Å; W185-R209 HydrophobicContact CG-CG 3.72Å; R209-H211 PolarHBondContact NH1-CE1 3Å; R209-H211 PolarHBondContact NH1-NE2 3.21Å; R209-I232 HydrophobicContact CB-CG2 3.89Å; R209-I233 CarbonylContact C-O 3.48Å; R209-I233 VanDerWaalsContact CA-O 3.25Å; R209-I233 WeakPolarHBondContact CA-O 3.49Å |
| 210 | C | 91.6 | Very high | 73.6 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.5 | 168.8 | -69.9 | 0 | 0 | 0 | 0 | 110.2 | V179 C181 I232 I233 F235 | V179-C210 HydrophobicContact CG1-CB 4.1Å; C181-C210 HydrophobicContact CB-CB 4Å; C181-C210 WeakPolarHBondContact CB-SG 3.32Å; C181-C210 WeakPolarHBondContact SG-CB 3.24Å; C181-C210 CovalentContact SG-SG 2.04Å; C181-C210 PolarHBondContact SG-SG 3.05Å; C210-I232 CarbonylContact O-C 3.58Å; C210-I232 WeakPolarHBondContact O-CA 3.32Å; C210-I233 HydrophobicContact CB-CB 4.43Å; C210-I233 PolarHBondContact N-O 3.14Å; C210-I233 PolarHBondContact O-N 2.67Å; C210-F235 HydrophobicContact CB-CE2 4.1Å |
| 211 | H | 91.2 | Very high | 75.9 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 2% | 0.023 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.7 | 176.9 | -72.1 | -129 | 0 | 0 | 0 | 109.3 | E138 V179 Y180 R209 | E138-H211 IonicContact OE1-CE1 2.85Å; E138-H211 IonicContact OE2-CE1 2.71Å; E138-H211 PolarHBondContact OE2-CE1 3.37Å; E138-H211 IonicContact OE2-CG 3.69Å; E138-H211 IonicContact OE2-ND1 2.67Å; E138-H211 PolarHBondContact OE2-ND1 2.94Å; E138-H211 IonicContact OE2-NE2 2.78Å; V179-H211 WeakPolarHBondContact CA-O 3.05Å; Y180-H211 HydrophobicContact CD1-CB 4.14Å; Y180-H211 HydrophobicContact CD2-CB 3.95Å; Y180-H211 HydrophobicContact CE1-CB 3.73Å; Y180-H211 HydrophobicContact CE2-CB 3.52Å; Y180-H211 AromaticContact CE2-CG 3.6Å; Y180-H211 AromaticContact CE2-ND1 3.84Å; Y180-H211 HydrophobicContact CG-CB 4.24Å; Y180-H211 AromaticContact CZ-CG 3.77Å; Y180-H211 AromaticContact CZ-ND1 3.82Å; Y180-H211 PolarHBondContact N-O 3.13Å; Y180-H211 PolarHBondContact O-N 2.92Å; Y180-H211 PolarHBondContact OH-ND1 2.84Å; R209-H211 PolarHBondContact NH1-CE1 3Å; R209-H211 PolarHBondContact NH1-NE2 3.21Å |
| 212 | I | 90.7 | Very high | 77.5 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 5% | 0.046 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.9 | 174.8 | -58.2 | 160.8 | 0 | 0 | 0 | 108.9 | V177 V179 D231 I233 I296 F300 | V177-I212 HydrophobicContact CG1-CG2 4.06Å; V179-I212 HydrophobicContact CG2-CG1 4.39Å; I212-D231 PolarHBondContact N-O 2.83Å; I212-I233 HydrophobicContact CD1-CD1 3.68Å; I212-I233 HydrophobicContact CD1-CG1 3.99Å; I212-I233 HydrophobicContact CG1-CD1 4.21Å; I212-I296 HydrophobicContact CD1-CB 3.95Å; I212-I296 HydrophobicContact CD1-CD1 4.43Å; I212-I296 HydrophobicContact CG1-CD1 4.41Å; I212-F300 HydrophobicContact CG2-CE2 4.07Å |
| 213 | R | 90 | Very high | 78.5 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 22% | 0.219 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123.6 | 169.6 | -59.1 | -68.5 | 169.3 | -126.4 | 16.2 | 108.8 | M137 I178 Y180 W220 D231 | M137-R213 HydrophobicContact CE-CG 4.42Å; I178-R213 HydrophobicContact CB-CB 4.31Å; I178-R213 PolarHBondContact N-O 2.89Å; I178-R213 PolarHBondContact O-N 2.87Å; Y180-R213 HydrophobicContact CE1-CG 3.85Å; Y180-R213 PolarHBondContact OH-NH2 3.09Å; R213-W220 HydrophobicContact CB-CE3 4.33Å; R213-W220 HydrophobicContact CB-CZ3 3.87Å; R213-D231 IonicContact CZ-OD2 3.37Å; R213-D231 IonicContact NH1-OD2 3.14Å; R213-D231 PolarHBondContact NH1-OD2 2.92Å |
| 214 | L | 89 | Confident | 78.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128 | 174.1 | 176.6 | 61.7 | 0 | 0 | 0 | 109.8 | F169 V177 L221 L273 L297 F300 | F169-L214 HydrophobicContact CE2-CD1 3.89Å; F169-L214 HydrophobicContact CZ-CD1 3.58Å; V177-L214 HydrophobicContact CG2-CD1 4.16Å; L214-L221 HydrophobicContact CD2-CB 4.37Å; L214-L221 HydrophobicContact CD2-CD1 3.66Å; L214-L221 HydrophobicContact CG-CB 4.45Å; L214-L221 HydrophobicContact CG-CD1 4.1Å; L214-L221 PolarHBondContact O-N 2.86Å; L214-L273 HydrophobicContact CD1-CD2 4.37Å; L214-L273 HydrophobicContact CD2-CD1 3.62Å; L214-L273 HydrophobicContact CD2-CD2 3.99Å; L214-L273 HydrophobicContact CD2-CG 4.47Å; L214-L297 HydrophobicContact CB-CD2 4.39Å; L214-L297 HydrophobicContact CD1-CD1 4.03Å; L214-L297 HydrophobicContact CD1-CD2 4.11Å; L214-L297 HydrophobicContact CD2-CD2 4.33Å; L214-F300 HydrophobicContact CB-CD1 3.98Å; L214-F300 HydrophobicContact CB-CE1 3.94Å; L214-F300 HydrophobicContact CB-CG 4.3Å; L214-F300 HydrophobicContact CB-CZ 4.22Å; L214-F300 HydrophobicContact CD2-CB 3.55Å; L214-F300 HydrophobicContact CD2-CD1 3.7Å; L214-F300 HydrophobicContact CD2-CD2 4.35Å; L214-F300 HydrophobicContact CD2-CE1 4.5Å; L214-F300 HydrophobicContact CD2-CG 3.61Å; L214-F300 HydrophobicContact CG-CD1 4.48Å |
| 215 | R | 88.4 | Confident | 78.7 | Confident | 9 Ų | 9 | 58 Ų | 58 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.4 | 170.6 | -171.1 | 168.2 | 173.2 | 78.4 | 18 | 109.3 | E80 W89 G175 A176 I178 G218 K219 W220 | E80-R215 IonicContact OE1-NE 2.66Å; E80-R215 IonicContact OE2-CZ 2.81Å; E80-R215 IonicContact OE2-NE 3.25Å; E80-R215 PolarHBondContact OE2-NE 2.93Å; E80-R215 IonicContact OE2-NH2 2.85Å; E80-R215 PolarHBondContact OE2-NH2 3.44Å; W89-R215 VanDerWaalsContact CZ2-NH1 3.29Å; G175-R215 CarbonylContact C-O 3.48Å; G175-R215 WeakPolarHBondContact CA-O 3.38Å; A176-R215 PolarHBondContact N-O 2.92Å; A176-R215 PolarHBondContact O-N 3.35Å; I178-R215 HydrophobicContact CD1-CB 4.45Å; R215-G218 VanDerWaalsContact NH2-C 3.31Å; R215-G218 PolarHBondContact NH2-O 2.88Å; R215-K219 WeakPolarHBondContact CA-O 3.46Å; R215-W220 HydrophobicContact CB-CE3 3.94Å; R215-W220 HydrophobicContact CB-CH2 4.27Å; R215-W220 HydrophobicContact CB-CZ3 3.8Å; R215-W220 HydrophobicContact CG-CE3 4.41Å; R215-W220 HydrophobicContact CG-CZ3 4.48Å |
| 216 | H | 83.6 | Confident | 77.5 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 137.4 | -176.5 | -178.4 | 48.9 | 0 | 0 | 0 | 110.5 | S174 G218 K219 L221 L273 | S174-H216 PolarHBondContact O-ND1 2.68Å; H216-G218 VanDerWaalsContact C-N 3.25Å; H216-G218 PolarHBondContact O-N 3.01Å; H216-K219 PolarHBondContact N-O 2.88Å; H216-K219 PolarHBondContact O-N 3.46Å; H216-K219 VanDerWaalsContact O-N 3.08Å; H216-L221 HydrophobicContact CB-CD1 3.88Å; H216-L273 HydrophobicContact CB-CD2 4.43Å |
| 217 | N | 77.2 | Confident | 76.2 | Confident | 99 Ų | 99 | 67.3 Ų | 67.3 | 53% | 0.529 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 45.6 | -179.5 | -60.7 | -20.1 | 0 | 0 | 0 | 113.1 | S174 K219 | S174-N217 PolarHBondContact O-N 2.84Å; N217-K219 VanDerWaalsContact C-N 3.26Å; N217-K219 PolarHBondContact O-N 2.81Å |
| 218 | G | 78.3 | Confident | 74.6 | Confident | 20 Ų | 20 | 74.9 Ų | 74.9 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -3.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E80 R215 H216 | E80-G218 VanDerWaalsContact OE1-CA 3.27Å; E80-G218 WeakPolarHBondContact OE1-CA 3.25Å; E80-G218 PolarHBondContact OE1-N 2.88Å; R215-G218 VanDerWaalsContact NH2-C 3.31Å; R215-G218 PolarHBondContact NH2-O 2.88Å; H216-G218 VanDerWaalsContact C-N 3.25Å; H216-G218 PolarHBondContact O-N 3.01Å |
| 219 | K | 82.6 | Confident | 72.8 | Confident | 152 Ų | 152 | 78.6 Ų | 78.6 | 66% | 0.661 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 142.6 | -173.6 | -65.8 | -179.9 | -179 | 176.3 | 0 | 112.2 | R215 H216 N217 L221 | R215-K219 WeakPolarHBondContact CA-O 3.46Å; H216-K219 PolarHBondContact N-O 2.88Å; H216-K219 PolarHBondContact O-N 3.46Å; H216-K219 VanDerWaalsContact O-N 3.08Å; N217-K219 VanDerWaalsContact C-N 3.26Å; N217-K219 PolarHBondContact O-N 2.81Å; K219-L221 PolarHBondContact O-N 3.44Å |
| 220 | W | 82.2 | Confident | 71.3 | Confident | 88 Ų | 88 | 81.4 Ų | 81.4 | 33% | 0.333 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 115.6 | 162.8 | -68.2 | 111.7 | 0 | 0 | 0 | 108.6 | F78 W89 M137 I178 R213 R215 | F78-W220 HydrophobicContact CZ-CH2 4.48Å; W89-W220 HydrophobicContact CD2-CZ2 4.32Å; W89-W220 HydrophobicContact CE3-CZ2 4.02Å; W89-W220 HydrophobicContact CH2-CZ2 4.19Å; W89-W220 AromaticContact CH2-NE1 3.75Å; W89-W220 HydrophobicContact CZ2-CZ2 4.48Å; W89-W220 AromaticContact CZ3-CZ2 3.95Å; W89-W220 HydrophobicContact CZ3-CZ2 3.95Å; M137-W220 HydrophobicContact CE-CH2 3.19Å; M137-W220 HydrophobicContact CE-CZ2 3.69Å; M137-W220 HydrophobicContact CE-CZ3 3.74Å; I178-W220 HydrophobicContact CD1-CH2 3.83Å; I178-W220 HydrophobicContact CD1-CZ3 3.77Å; R213-W220 HydrophobicContact CB-CE3 4.33Å; R213-W220 HydrophobicContact CB-CZ3 3.87Å; R215-W220 HydrophobicContact CB-CE3 3.94Å; R215-W220 HydrophobicContact CB-CH2 4.27Å; R215-W220 HydrophobicContact CB-CZ3 3.8Å; R215-W220 HydrophobicContact CG-CE3 4.41Å; R215-W220 HydrophobicContact CG-CZ3 4.48Å |
| 221 | L | 78.8 | Confident | 70.3 | Confident | 68 Ų | 68 | 83.2 Ų | 83.2 | 36% | 0.356 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 134.6 | 177.7 | -68.1 | 178.4 | 0 | 0 | 0 | 110.1 | L214 H216 K219 F300 | L214-L221 HydrophobicContact CD2-CB 4.37Å; L214-L221 HydrophobicContact CD2-CD1 3.66Å; L214-L221 HydrophobicContact CG-CB 4.45Å; L214-L221 HydrophobicContact CG-CD1 4.1Å; L214-L221 PolarHBondContact O-N 2.86Å; H216-L221 HydrophobicContact CB-CD1 3.88Å; K219-L221 PolarHBondContact O-N 3.44Å; L221-F300 HydrophobicContact CB-CD1 4.26Å |
| 222 | R | 66.5 | Low | 69.7 | Low | 226 Ų | 226 | 84.7 Ų | 84.7 | 85% | 0.853 | 40% | 0.398 | S | S | * | . | trans | -106 | 144 | 168.1 | -65.9 | -177.2 | 179.5 | 177.8 | -0.2 | 108.6 | ||||
| 223 | Q | 61.1 | Low | 69.4 | Low | 36 Ų | 36 | 84.9 Ų | 84.9 | 17% | 0.168 | 40% | 0.399 | C | S | . | . | trans | -60.2 | 149.8 | 172.5 | -71.1 | 174.6 | -2.2 | 0 | 0 | 111.4 | E230 D231 N299 F300 | Q223-E230 VanDerWaalsContact NE2-C 3.34Å; Q223-E230 PolarHBondContact NE2-O 2.85Å; Q223-E230 PolarHBondContact OE1-O 2.75Å; Q223-D231 VanDerWaalsContact CG-OD1 3.28Å; Q223-D231 WeakPolarHBondContact CG-OD1 3.36Å; Q223-D231 PolarHBondContact NE2-OD1 2.76Å; Q223-N299 HydrophobicContact CG-CB 4.49Å; Q223-F300 HydrophobicContact CG-CD1 4.3Å; Q223-F300 HydrophobicContact CG-CE1 3.92Å; Q223-F300 HydrophobicContact CG-CE2 4.42Å; Q223-F300 HydrophobicContact CG-CZ 3.99Å | ||
| 224 | R | 55.6 | Low | 69.2 | Low | 209 Ų | 209 | 87 Ų | 87 | 79% | 0.789 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -83.6 | -16.4 | -175.4 | -77.3 | -177.4 | 173 | 174 | -2.3 | 114.9 | T226 N302 | R224-T226 PolarHBondContact O-N 3.1Å; R224-N302 PolarHBondContact NH1-OD1 2.95Å |
| 225 | K | 53.5 | Low | 68.9 | Low | 110 Ų | 110 | 87.3 Ų | 87.3 | 48% | 0.478 | 41% | 0.409 | S | S | . | . | trans | -76.4 | 123.3 | -176.7 | -75.2 | -176.7 | -170.3 | 161.5 | 0 | 111.7 | E230 | K225-E230 WeakPolarHBondContact CD-OE2 3.49Å; K225-E230 IonicContact NZ-OE1 3.94Å; K225-E230 PolarHBondContact NZ-OE1 2.72Å; K225-E230 IonicContact NZ-OE2 2.68Å; K225-E230 PolarHBondContact NZ-OE2 2.91Å | ||
| 226 | T | 41.1 | Very low | 68.3 | Low | 124 Ų | 124 | 87.4 Ų | 87.4 | 76% | 0.761 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -77.3 | 141.9 | 172.2 | 42.5 | 0 | 0 | 0 | 0 | 111 | R224 | R224-T226 PolarHBondContact O-N 3.1Š|
| 227 | N | 46.2 | Very low | 67.5 | Low | 162 Ų | 162 | 89.2 Ų | 89.2 | 87% | 0.866 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 85.2 | -10 | 167.1 | -60.7 | -9.4 | 0 | 0 | 0 | 121.9 | ||
| 228 | Q | 44.8 | Very low | 66.7 | Low | 162 Ų | 162 | 89.3 Ų | 89.3 | 76% | 0.757 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -138.3 | 150.5 | 171.8 | -69.3 | -168.2 | -8.2 | 0 | 0 | 114.4 | E230 | Q228-E230 PolarHBondContact O-N 2.95Å; Q228-E230 VanDerWaalsContact O-N 3.16Å |
| 229 | T | 48.7 | Very low | 65.2 | Low | 78 Ų | 78 | 94.4 Ų | 94.4 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | trans | -83.5 | 83.9 | -164.3 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | R234 | T229-R234 PolarHBondContact OG1-NH1 3.25Å; T229-R234 PolarHBondContact OG1-NH2 3.2Å | ||
| 230 | E | 55.9 | Low | 63.5 | Low | 73 Ų | 73 | 91 Ų | 91 | 34% | 0.341 | 47% | 0.465 | S | S | . | . | trans | -99.4 | -0.8 | -177 | -76.9 | -178.3 | -170.7 | 0 | 0 | 115 | Q223 K225 Q228 I232 | Q223-E230 VanDerWaalsContact NE2-C 3.34Å; Q223-E230 PolarHBondContact NE2-O 2.85Å; Q223-E230 PolarHBondContact OE1-O 2.75Å; K225-E230 WeakPolarHBondContact CD-OE2 3.49Å; K225-E230 IonicContact NZ-OE1 3.94Å; K225-E230 PolarHBondContact NZ-OE1 2.72Å; K225-E230 IonicContact NZ-OE2 2.68Å; K225-E230 PolarHBondContact NZ-OE2 2.91Å; Q228-E230 PolarHBondContact O-N 2.95Å; Q228-E230 VanDerWaalsContact O-N 3.16Å; E230-I232 PolarHBondContact O-N 3.42Å | ||
| 231 | D | 70.6 | Confident | 62.3 | Low | 38 Ų | 38 | 91.2 Ų | 91.2 | 20% | 0.203 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -75.1 | -6.8 | 170.8 | -89.3 | 0.6 | 0 | 0 | 0 | 113.8 | I212 R213 Q223 | I212-D231 PolarHBondContact N-O 2.83Å; R213-D231 IonicContact CZ-OD2 3.37Å; R213-D231 IonicContact NH1-OD2 3.14Å; R213-D231 PolarHBondContact NH1-OD2 2.92Å; Q223-D231 VanDerWaalsContact CG-OD1 3.28Å; Q223-D231 WeakPolarHBondContact CG-OD1 3.36Å; Q223-D231 PolarHBondContact NE2-OD1 2.76Å |
| 232 | I | 79 | Confident | 61.2 | Low | 37 Ų | 37 | 89.5 Ų | 89.5 | 19% | 0.19 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.7 | -168.1 | -55.4 | 175.4 | 0 | 0 | 0 | 108.9 | R209 C210 E230 R234 | R209-I232 HydrophobicContact CB-CG2 3.89Å; C210-I232 CarbonylContact O-C 3.58Å; C210-I232 WeakPolarHBondContact O-CA 3.32Å; E230-I232 PolarHBondContact O-N 3.42Å; I232-R234 HydrophobicContact CG2-CG 4.05Å; I232-R234 PolarHBondContact O-N 3.04Å |
| 233 | I | 85.2 | Confident | 61.2 | Low | 13 Ų | 13 | 81.8 Ų | 81.8 | 7% | 0.067 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 117.2 | 165.2 | -59.7 | 158.5 | 0 | 0 | 0 | 106.9 | R209 C210 I212 F235 L278 L293 I296 F311 | R209-I233 CarbonylContact C-O 3.48Å; R209-I233 VanDerWaalsContact CA-O 3.25Å; R209-I233 WeakPolarHBondContact CA-O 3.49Å; C210-I233 HydrophobicContact CB-CB 4.43Å; C210-I233 PolarHBondContact N-O 3.14Å; C210-I233 PolarHBondContact O-N 2.67Å; I212-I233 HydrophobicContact CD1-CD1 3.68Å; I212-I233 HydrophobicContact CD1-CG1 3.99Å; I212-I233 HydrophobicContact CG1-CD1 4.21Å; I233-F235 HydrophobicContact CB-CE2 4.4Å; I233-F235 HydrophobicContact CB-CZ 4.24Å; I233-F235 HydrophobicContact CG2-CD1 4.32Å; I233-F235 HydrophobicContact CG2-CD2 4.45Å; I233-F235 HydrophobicContact CG2-CE1 3.69Å; I233-F235 HydrophobicContact CG2-CE2 3.83Å; I233-F235 HydrophobicContact CG2-CZ 3.4Å; I233-F235 VanDerWaalsContact CG2-CZ 3.4Å; I233-L278 HydrophobicContact CD1-CD2 3.65Å; I233-L293 HydrophobicContact CD1-CD2 3.54Å; I233-L293 HydrophobicContact CG1-CD2 4.09Å; I233-L293 HydrophobicContact CG2-CD2 4.02Å; I233-I296 HydrophobicContact CD1-CG2 4.41Å; I233-F311 HydrophobicContact CG1-CZ 4.48Å |
| 234 | R | 84.4 | Confident | 61.9 | Low | 101 Ų | 101 | 82.4 Ų | 82.4 | 38% | 0.381 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.9 | 171.3 | -60.8 | 179 | 173.8 | 108.5 | -0.2 | 109.2 | W185 T229 I232 T237 | W185-R234 HydrophobicContact CH2-CG 4.08Å; W185-R234 HydrophobicContact CZ3-CB 4.1Å; W185-R234 HydrophobicContact CZ3-CG 3.9Å; T229-R234 PolarHBondContact OG1-NH1 3.25Å; T229-R234 PolarHBondContact OG1-NH2 3.2Å; I232-R234 HydrophobicContact CG2-CG 4.05Å; I232-R234 PolarHBondContact O-N 3.04Å; R234-T237 HydrophobicContact CB-CG2 3.48Å; R234-T237 VanDerWaalsContact CB-CG2 3.48Å; R234-T237 HydrophobicContact CG-CG2 4.38Å |
| 235 | F | 83.4 | Confident | 63.1 | Low | 7 Ų | 7 | 72.5 Ų | 72.5 | 3% | 0.031 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -101.3 | 143.3 | 177.5 | -57.6 | -84.1 | 0 | 0 | 0 | 110.1 | G207 G208 C210 I233 T237 T280 L282 | G207-F235 CarbonylContact C-O 3.6Å; G207-F235 WeakPolarHBondContact CA-O 3.35Å; G207-F235 WeakPolarHBondContact O-CB 3.37Å; G208-F235 PolarHBondContact O-N 3.08Å; C210-F235 HydrophobicContact CB-CE2 4.1Å; I233-F235 HydrophobicContact CB-CE2 4.4Å; I233-F235 HydrophobicContact CB-CZ 4.24Å; I233-F235 HydrophobicContact CG2-CD1 4.32Å; I233-F235 HydrophobicContact CG2-CD2 4.45Å; I233-F235 HydrophobicContact CG2-CE1 3.69Å; I233-F235 HydrophobicContact CG2-CE2 3.83Å; I233-F235 HydrophobicContact CG2-CZ 3.4Å; I233-F235 VanDerWaalsContact CG2-CZ 3.4Å; F235-T237 PolarHBondContact O-N 3.27Å; F235-T280 HydrophobicContact CE1-CG2 3.61Å; F235-T280 HydrophobicContact CZ-CG2 3.74Å; F235-L282 HydrophobicContact CD1-CD1 3.99Å; F235-L282 HydrophobicContact CD1-CG 4.48Å; F235-L282 HydrophobicContact CE1-CD1 4.32Å |
| 236 | C | 76.7 | Confident | 64.4 | Low | 12 Ų | 12 | 67.2 Ų | 67.2 | 8% | 0.081 | 38% | 0.38 | C | S | . | . | S | Bend | trans | 53 | 44.2 | 170.7 | -45.5 | 0 | 0 | 0 | 0 | 115.1 | Q243 C245 | C236-Q243 HydrophobicContact CB-CG 4.2Å; C236-Q243 PolarHBondContact O-NE2 2.98Å; C236-C245 HydrophobicContact CB-CB 4.01Å; C236-C245 WeakPolarHBondContact CB-SG 3.26Å; C236-C245 WeakPolarHBondContact SG-CB 3.4Å; C236-C245 CovalentContact SG-SG 2.03Å; C236-C245 PolarHBondContact SG-SG 3.28Å |
| 237 | T | 65.6 | Low | 66.7 | Low | 59 Ų | 59 | 61.3 Ų | 61.3 | 36% | 0.362 | 34% | 0.344 | S | S | . | . | trans | -82.9 | -13.4 | -178.3 | 54.5 | 0 | 0 | 0 | 0 | 115.2 | W185 R234 F235 | W185-T237 HydrophobicContact CZ3-CG2 4.28Å; R234-T237 HydrophobicContact CB-CG2 3.48Å; R234-T237 VanDerWaalsContact CB-CG2 3.48Å; R234-T237 HydrophobicContact CG-CG2 4.38Å; F235-T237 PolarHBondContact O-N 3.27Å | ||
| 238 | N | 60 | Low | 68.7 | Low | 101 Ų | 101 | 53.6 Ų | 53.6 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -107.6 | 144.1 | -172.5 | -68.7 | 19.8 | 0 | 0 | 0 | 111.2 | G240 Y241 | N238-G240 PolarHBondContact O-N 3.38Å; N238-Y241 HydrophobicContact CB-CD2 4.33Å; N238-Y241 HydrophobicContact CB-CE2 4.34Å; N238-Y241 WeakPolarHBondContact O-CD2 3.43Å |
| 239 | S | 46.5 | Very low | 70.8 | Confident | 126 Ų | 126 | 49.4 Ų | 49.4 | 88% | 0.881 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 118.5 | 169.7 | 52.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 240 | G | 48.5 | Very low | 72.9 | Confident | 82 Ų | 82 | 46 Ų | 46 | 85% | 0.845 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.6 | -4.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | N238 | N238-G240 PolarHBondContact O-N 3.38Š|
| 241 | Y | 55.9 | Low | 74.8 | Confident | 92 Ų | 92 | 43.2 Ų | 43.2 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -101.4 | 157.2 | 171.6 | -71.5 | -97 | 0 | 0 | 0 | 111.4 | N238 Q243 R315 | N238-Y241 HydrophobicContact CB-CD2 4.33Å; N238-Y241 HydrophobicContact CB-CE2 4.34Å; N238-Y241 WeakPolarHBondContact O-CD2 3.43Å; Y241-Q243 VanDerWaalsContact C-N 3.26Å; Y241-Q243 PolarHBondContact O-N 3.46Å; Y241-R315 PolarHBondContact OH-NH2 3.27Å |
| 242 | S | 56.6 | Low | 75.9 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | trans | -70.4 | 77.8 | 172.3 | 44.7 | 0 | 0 | 0 | 0 | 111 | P244 C245 | S242-P244 CarbonylContact O-C 3.47Å; S242-P244 VanDerWaalsContact O-C 3.26Å; S242-P244 VanDerWaalsContact O-O 3.07Å; S242-C245 WeakPolarHBondContact O-CB 3.16Å | ||
| 243 | Q | 65.2 | Low | 76.6 | Confident | 64 Ų | 64 | 40.7 Ų | 40.7 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -77.6 | 139.7 | 167.9 | -71.2 | -178.5 | -20.8 | 0 | 0 | 110 | Q205 C236 Y241 | Q205-Q243 HydrophobicContact CB-CB 3.8Å; Q205-Q243 HydrophobicContact CG-CB 4.48Å; Q205-Q243 PolarHBondContact OE1-O 2.97Å; C236-Q243 HydrophobicContact CB-CG 4.2Å; C236-Q243 PolarHBondContact O-NE2 2.98Å; Y241-Q243 VanDerWaalsContact C-N 3.26Å; Y241-Q243 PolarHBondContact O-N 3.46Å |
| 244 | P | 75.6 | Confident | 76.8 | Confident | 49 Ų | 49 | 40.4 Ų | 40.4 | 32% | 0.318 | 23% | 0.234 | S | C | . | . | cis | -71.2 | 148.7 | -9.3 | 33.1 | -35.5 | 0 | 0 | 0 | 111.6 | Q205 A206 S242 L284 | Q205-P244 HydrophobicContact CB-CB 4.14Å; A206-P244 HydrophobicContact CB-CB 4.07Å; A206-P244 CarbonylContact O-C 3.44Å; A206-P244 VanDerWaalsContact O-CA 3.22Å; A206-P244 WeakPolarHBondContact O-CA 3.32Å; A206-P244 WeakPolarHBondContact O-CB 3.48Å; S242-P244 CarbonylContact O-C 3.47Å; S242-P244 VanDerWaalsContact O-C 3.26Å; S242-P244 VanDerWaalsContact O-O 3.07Å; P244-L284 HydrophobicContact CB-CD1 4.49Å; P244-L284 CarbonylContact O-C 3.57Å; P244-L284 VanDerWaalsContact O-C 3.24Å | ||
| 245 | C | 80.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -121.1 | -18.7 | 178.8 | 77.9 | 0 | 0 | 0 | 0 | 114.8 | A206 G207 C236 S242 G247 L282 F283 L284 A285 | A206-C245 PolarHBondContact O-N 2.95Å; G207-C245 PolarHBondContact O-SG 3.33Å; C236-C245 HydrophobicContact CB-CB 4.01Å; C236-C245 WeakPolarHBondContact CB-SG 3.26Å; C236-C245 WeakPolarHBondContact SG-CB 3.4Å; C236-C245 CovalentContact SG-SG 2.03Å; C236-C245 PolarHBondContact SG-SG 3.28Å; S242-C245 WeakPolarHBondContact O-CB 3.16Å; C245-G247 PolarHBondContact O-N 3.14Å; C245-L282 HydrophobicContact CB-CB 4.33Å; C245-L282 HydrophobicContact CB-CD2 4.23Å; C245-L282 HydrophobicContact CB-CG 4.47Å; C245-L282 CarbonylContact O-C 3.48Å; C245-L282 WeakPolarHBondContact O-CA 3.04Å; C245-F283 PolarHBondContact O-N 3.4Å; C245-L284 PolarHBondContact O-N 3.1Å; C245-A285 HydrophobicContact CB-CB 4Å | ||
| 246 | G | 82.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | 67.1 | 31.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | P183 A206 G207 G248 F249 | P183-G246 WeakPolarHBondContact CB-O 3.45Å; P183-G246 WeakPolarHBondContact O-CA 3.29Å; A206-G246 PolarHBondContact O-N 2.78Å; G207-G246 PolarHBondContact O-N 2.75Å; G246-G248 PolarHBondContact O-N 3.24Å; G246-F249 PolarHBondContact O-N 2.95Å | ||
| 247 | G | 87.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 130.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G207 C245 S281 | G207-G247 PolarHBondContact O-N 3.04Å; C245-G247 PolarHBondContact O-N 3.14Å; G247-S281 WeakPolarHBondContact CA-O 3.48Å |
| 248 | G | 89 | Confident | 74.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 9.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S163 C181 G246 S250 T280 S281 | S163-G248 WeakPolarHBondContact CB-O 3.16Å; S163-G248 PolarHBondContact OG-O 3.33Å; C181-G248 WeakPolarHBondContact CB-O 3.37Å; G246-G248 PolarHBondContact O-N 3.24Å; G248-S250 PolarHBondContact O-N 2.78Å; G248-T280 WeakPolarHBondContact CA-OG1 3.39Å; G248-T280 PolarHBondContact N-OG1 2.95Å; G248-S281 PolarHBondContact N-O 2.91Å |
| 249 | F | 89.5 | Confident | 73.7 | Confident | 74 Ų | 74 | 43 Ų | 43 | 33% | 0.325 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -59.4 | -42.6 | 179 | -174.8 | -97.1 | 0 | 0 | 0 | 113.5 | S163 P183 G246 S281 F283 | S163-F249 WeakPolarHBondContact CB-O 3.31Å; P183-F249 HydrophobicContact CB-CB 4.1Å; P183-F249 HydrophobicContact CB-CD2 4.33Å; P183-F249 HydrophobicContact CG-CB 4.47Å; P183-F249 HydrophobicContact CG-CD2 4.04Å; G246-F249 PolarHBondContact O-N 2.95Å; F249-S281 PolarHBondContact N-OG 3.29Å; F249-F283 HydrophobicContact CB-CD1 3.43Å; F249-F283 VanDerWaalsContact CB-CD1 3.43Å; F249-F283 HydrophobicContact CB-CE1 3.5Å; F249-F283 VanDerWaalsContact CB-CE1 3.5Å; F249-F283 AromaticContact CD1-CD1 3.84Å; F249-F283 HydrophobicContact CD1-CD1 3.84Å; F249-F283 AromaticContact CD1-CE1 3.86Å; F249-F283 HydrophobicContact CD1-CE1 3.86Å; F249-F283 HydrophobicContact CD1-CG 4.36Å; F249-F283 HydrophobicContact CD1-CZ 4.39Å; F249-F283 HydrophobicContact CD2-CD1 4.08Å; F249-F283 AromaticContact CD2-CE1 3.32Å; F249-F283 HydrophobicContact CD2-CE1 3.32Å; F249-F283 AromaticContact CD2-CZ 3.8Å; F249-F283 HydrophobicContact CD2-CZ 3.8Å; F249-F283 HydrophobicContact CE1-CE1 4.41Å; F249-F283 AromaticContact CE2-CE1 3.94Å; F249-F283 HydrophobicContact CE2-CE1 3.94Å; F249-F283 AromaticContact CE2-CZ 3.93Å; F249-F283 HydrophobicContact CE2-CZ 3.93Å; F249-F283 AromaticContact CG-CD1 3.52Å; F249-F283 HydrophobicContact CG-CD1 3.52Å; F249-F283 AromaticContact CG-CE1 3.27Å; F249-F283 HydrophobicContact CG-CE1 3.27Å; F249-F283 HydrophobicContact CG-CG 4.45Å; F249-F283 HydrophobicContact CG-CZ 4.04Å; F249-F283 HydrophobicContact CZ-CE1 4.45Å; F249-F283 HydrophobicContact CZ-CZ 4.29Å |
| 250 | S | 92.9 | Very high | 73.1 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -131.5 | 144.7 | 168.3 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | G248 S281 Q325 Q326 V327 | G248-S250 PolarHBondContact O-N 2.78Å; S250-S281 PolarHBondContact N-OG 3.15Å; S250-S281 PolarHBondContact O-N 3.41Å; S250-S281 PolarHBondContact O-OG 3.47Å; S250-S281 VanDerWaalsContact O-OG 3.08Å; S250-Q325 WeakPolarHBondContact CB-O 3.39Å; S250-Q326 VanDerWaalsContact OG-CD 3.29Å; S250-Q326 PolarHBondContact OG-OE1 3.21Å; S250-V327 WeakPolarHBondContact O-CG2 3.35Å; S250-V327 PolarHBondContact OG-N 3Å |
| 251 | F | 94.9 | Very high | 72 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 165 | 174.3 | 75.1 | -96.2 | 0 | 0 | 0 | 112.2 | V179 L253 L278 L279 R328 | V179-F251 HydrophobicContact CB-CE1 4.4Å; V179-F251 HydrophobicContact CB-CE2 3.8Å; V179-F251 HydrophobicContact CB-CZ 3.69Å; V179-F251 HydrophobicContact CG1-CD1 4.49Å; V179-F251 HydrophobicContact CG1-CD2 4.49Å; V179-F251 HydrophobicContact CG1-CE1 4.04Å; V179-F251 HydrophobicContact CG1-CE2 4.07Å; V179-F251 HydrophobicContact CG1-CZ 3.82Å; V179-F251 VanDerWaalsContact O-CZ 3.29Å; V179-F251 WeakPolarHBondContact O-CZ 3.33Å; F251-L253 HydrophobicContact CD2-CG 4.28Å; F251-L253 HydrophobicContact CE2-CD1 4.19Å; F251-L253 HydrophobicContact CE2-CG 4.06Å; F251-L278 HydrophobicContact CB-CD1 3.84Å; F251-L278 HydrophobicContact CD2-CD1 3.56Å; F251-L278 HydrophobicContact CE2-CD1 4.39Å; F251-L278 HydrophobicContact CG-CD1 3.92Å; F251-L279 CarbonylContact C-O 3.42Å; F251-L279 WeakPolarHBondContact CA-O 3.37Å; F251-L279 WeakPolarHBondContact CB-O 3.34Å; F251-R328 PolarHBondContact O-NH1 3.1Å |
| 252 | D | 94.4 | Very high | 70.8 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 151.6 | 168.2 | -156.8 | 3.6 | 0 | 0 | 0 | 111.1 | L279 R328 W329 R562 | D252-L279 PolarHBondContact N-O 3.27Å; D252-L279 PolarHBondContact O-N 3.35Å; D252-R328 VanDerWaalsContact OD2-CD 3.23Å; D252-R328 WeakPolarHBondContact OD2-CD 3.46Å; D252-W329 PolarHBondContact O-NE1 3.18Å; D252-W329 PolarHBondContact OD2-N 3.44Å; D252-R562 IonicContact OD1-CZ 2.7Å; D252-R562 IonicContact OD1-NH1 2.89Å; D252-R562 PolarHBondContact OD1-NH1 3.28Å; D252-R562 IonicContact OD1-NH2 3.07Å; D252-R562 PolarHBondContact OD1-NH2 3.26Å; D252-R562 IonicContact OD2-NH1 3.96Å; D252-R562 IonicContact OD2-NH2 3.96Å; D252-R562 PolarHBondContact OD2-NH2 2.84Å; D252-R562 VanDerWaalsContact OD2-NH2 3.16Å |
| 253 | L | 93 | Very high | 69.5 | Low | 15 Ų | 15 | 57.8 Ų | 57.8 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 141.6 | -175.2 | -69.6 | 171.2 | 0 | 0 | 0 | 110.6 | L167 V179 F251 I276 R277 L278 I296 | L167-L253 HydrophobicContact CB-CB 3.98Å; L167-L253 HydrophobicContact CB-CD1 3.94Å; L167-L253 HydrophobicContact CD2-CB 3.92Å; V179-L253 HydrophobicContact CG2-CD1 4.24Å; V179-L253 HydrophobicContact CG2-CD2 4.09Å; F251-L253 HydrophobicContact CD2-CG 4.28Å; F251-L253 HydrophobicContact CE2-CD1 4.19Å; F251-L253 HydrophobicContact CE2-CG 4.06Å; L253-I276 HydrophobicContact CD2-CG2 4.14Å; L253-R277 WeakPolarHBondContact CA-O 3.45Å; L253-L278 HydrophobicContact CD2-CB 4.29Å; L253-L278 HydrophobicContact CD2-CD1 3.71Å; L253-L278 HydrophobicContact CG-CD1 4.47Å; L253-I296 HydrophobicContact CD2-CD1 3.95Å |
| 254 | Q | 89 | Confident | 67.7 | Low | 7 Ų | 7 | 60.3 Ų | 60.3 | 3% | 0.033 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 127.5 | 177.3 | -172.9 | 175 | 62 | 0 | 0 | 111.1 | R277 W329 T330 L332 | Q254-R277 PolarHBondContact N-O 2.82Å; Q254-R277 VanDerWaalsContact N-O 3.08Å; Q254-R277 PolarHBondContact O-N 2.84Å; Q254-W329 HydrophobicContact CB-CD2 4.4Å; Q254-W329 HydrophobicContact CB-CG 4.02Å; Q254-T330 PolarHBondContact NE2-O 2.97Å; Q254-L332 HydrophobicContact CG-CD1 3.82Å; Q254-L332 HydrophobicContact CG-CG 4.37Å |
| 255 | Q | 86 | Confident | 66 | Low | 22 Ų | 22 | 66.8 Ų | 66.8 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 131.7 | 169.2 | 177 | 167.8 | -31.5 | 0 | 0 | 109.2 | L167 P274 I276 L332 | L167-Q255 HydrophobicContact CD2-CB 4.18Å; Q255-P274 HydrophobicContact CG-CB 4.08Å; Q255-I276 HydrophobicContact CB-CD1 3.72Å; Q255-I276 HydrophobicContact CG-CD1 3.98Å; Q255-L332 WeakPolarHBondContact O-CD1 3.45Å |
| 256 | T | 73.4 | Confident | 63.8 | Low | 36 Ų | 36 | 76.6 Ų | 76.6 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.8 | 173 | 53.9 | 0 | 0 | 0 | 0 | 110.5 | N275 R277 | T256-N275 PolarHBondContact N-O 3.06Å; T256-N275 VanDerWaalsContact OG1-CB 3.3Å; T256-N275 WeakPolarHBondContact OG1-CB 3.25Å; T256-N275 PolarHBondContact OG1-O 3.46Å; T256-R277 HydrophobicContact CG2-CG 3.96Å |
| 257 | T | 61.2 | Low | 61.4 | Low | 83 Ų | 83 | 81.8 Ų | 81.8 | 51% | 0.509 | 40% | 0.402 | S | S | . | . | trans | -77.6 | 133.6 | 168.9 | 47.9 | 0 | 0 | 0 | 0 | 109.1 | I259 | T257-I259 PolarHBondContact O-N 3.04Š| ||
| 258 | S | 47.7 | Very low | 59 | Low | 83 Ų | 83 | 89.5 Ų | 89.5 | 58% | 0.58 | 44% | 0.438 | S | S | * | . | trans | -70 | 98.2 | 175.6 | 53 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 259 | I | 37.9 | Very low | 56.6 | Low | 110 Ų | 110 | 97.6 Ų | 97.6 | 56% | 0.564 | 48% | 0.48 | S | S | * | . | trans | -91.5 | -12.6 | -173.4 | -78.2 | 171.8 | 0 | 0 | 0 | 113.3 | T257 | T257-I259 PolarHBondContact O-N 3.04Š| ||
| 260 | D | 32.1 | Very low | 54.2 | Low | 160 Ų | 160 | 100 Ų | 100 | 86% | 0.856 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -98.2 | 16.5 | -171.9 | -57.9 | -33.2 | 0 | 0 | 0 | 115.1 | ||
| 261 | S | 26.5 | Very low | 52.3 | Low | 85 Ų | 85 | 103.8 Ų | 103.8 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | trans | -142.4 | 44.8 | -179.8 | 73.6 | 0 | 0 | 0 | 0 | 115.5 | Q263 | S261-Q263 PolarHBondContact O-N 3.12Š| ||
| 262 | Y | 30.1 | Very low | 50.9 | Low | 212 Ų | 212 | 110.6 Ų | 110.6 | 83% | 0.831 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 60.5 | 166.8 | -111 | -85.2 | 0 | 0 | 0 | 111.7 | ||
| 263 | Q | 30.4 | Very low | 50 | Low | 185 Ų | 185 | 111.1 Ų | 111.1 | 86% | 0.864 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.2 | -14.6 | 173.1 | -110.4 | -178.6 | -5.5 | 0 | 0 | 115.4 | S261 | S261-Q263 PolarHBondContact O-N 3.12Š|
| 264 | N | 27.6 | Very low | 49.5 | Very low | 118 Ų | 118 | 111 Ų | 111 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | trans | -116.5 | 89.4 | 174.8 | -81.6 | 3.8 | 0 | 0 | 0 | 112.1 | Y266 D267 | N264-Y266 PolarHBondContact O-N 3.05Å; N264-Y266 VanDerWaalsContact O-N 3.13Å; N264-D267 WeakPolarHBondContact CB-OD2 3.42Å; N264-D267 PolarHBondContact ND2-OD2 2.91Å | ||
| 265 | Y | 38.3 | Very low | 49.2 | Very low | 184 Ų | 184 | 113.6 Ų | 113.6 | 72% | 0.722 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 7.7 | 172.9 | -172.5 | -105.3 | 0 | 0 | 0 | 113.7 | ||
| 266 | Y | 35.6 | Very low | 49.3 | Very low | 207 Ų | 207 | 112.6 Ų | 112.6 | 81% | 0.812 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -3.4 | -170.7 | -79.7 | -75.8 | 0 | 0 | 0 | 115.8 | N264 H268 | N264-Y266 PolarHBondContact O-N 3.05Å; N264-Y266 VanDerWaalsContact O-N 3.13Å; Y266-H268 PolarHBondContact O-N 2.98Å; Y266-H268 VanDerWaalsContact O-N 3.08Å |
| 267 | D | 31.5 | Very low | 50.1 | Low | 109 Ų | 109 | 111.7 Ų | 111.7 | 58% | 0.583 | 56% | 0.558 | S | S | * | * | trans | -81.1 | 21.4 | -178.4 | -76.6 | -45.4 | 0 | 0 | 0 | 114.5 | N264 L269 | N264-D267 WeakPolarHBondContact CB-OD2 3.42Å; N264-D267 PolarHBondContact ND2-OD2 2.91Å; D267-L269 PolarHBondContact O-N 3.38Å | ||
| 268 | H | 37.4 | Very low | 51.5 | Low | 162 Ų | 162 | 107.7 Ų | 107.7 | 75% | 0.75 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | 19.2 | -174.3 | -83.7 | -62.4 | 0 | 0 | 0 | 116.3 | Y266 | Y266-H268 PolarHBondContact O-N 2.98Å; Y266-H268 VanDerWaalsContact O-N 3.08Å |
| 269 | L | 38.7 | Very low | 53.7 | Low | 169 Ų | 169 | 103.8 Ų | 103.8 | 89% | 0.885 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 9.6 | -174.5 | -84.9 | 158.8 | 0 | 0 | 0 | 115.1 | D267 | D267-L269 PolarHBondContact O-N 3.38Š|
| 270 | N | 39.8 | Very low | 56.3 | Low | 126 Ų | 126 | 98.5 Ų | 98.5 | 67% | 0.674 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -148.2 | 122.6 | 167.8 | -126.3 | -26.9 | 0 | 0 | 0 | 110 | Q272 | N270-Q272 VanDerWaalsContact C-N 3.35Å; N270-Q272 PolarHBondContact O-N 2.93Å |
| 271 | P | 53.5 | Low | 59.1 | Low | 84 Ų | 84 | 90.9 Ų | 90.9 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | trans | -72.5 | 90.9 | 176.1 | 30 | -32.8 | 0 | 0 | 0 | 109.3 | ||||
| 272 | Q | 65.8 | Low | 62.1 | Low | 157 Ų | 157 | 86.9 Ų | 86.9 | 73% | 0.734 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 136.8 | 174.9 | -63.8 | -169.9 | 5.1 | 0 | 0 | 109.9 | N270 | N270-Q272 VanDerWaalsContact C-N 3.35Å; N270-Q272 PolarHBondContact O-N 2.93Å |
| 273 | L | 75.6 | Confident | 64.7 | Low | 20 Ų | 20 | 78 Ų | 78 | 11% | 0.105 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 139.4 | 175.3 | -69.7 | 168.2 | 0 | 0 | 0 | 109.9 | L214 H216 L297 F300 K301 | L214-L273 HydrophobicContact CD1-CD2 4.37Å; L214-L273 HydrophobicContact CD2-CD1 3.62Å; L214-L273 HydrophobicContact CD2-CD2 3.99Å; L214-L273 HydrophobicContact CD2-CG 4.47Å; H216-L273 HydrophobicContact CB-CD2 4.43Å; L273-L297 HydrophobicContact CB-CD1 4.42Å; L273-F300 HydrophobicContact CD1-CB 3.79Å; L273-K301 HydrophobicContact CB-CG 4.22Å; L273-K301 HydrophobicContact CD1-CG 4.28Å; L273-K301 WeakPolarHBondContact O-CE 3.47Å; L273-K301 PolarHBondContact O-NZ 2.95Å |
| 274 | P | 81 | Confident | 67.1 | Low | 13 Ų | 13 | 71.9 Ų | 71.9 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 160.4 | -179 | 28.3 | -33.9 | 0 | 0 | 0 | 111.8 | F169 I173 Q255 I276 K301 | F169-P274 HydrophobicContact CD1-CG 3.41Å; F169-P274 VanDerWaalsContact CD1-CG 3.41Å; F169-P274 HydrophobicContact CE1-CG 3.42Å; F169-P274 VanDerWaalsContact CE1-CG 3.42Å; F169-P274 HydrophobicContact CG-CG 4.02Å; F169-P274 HydrophobicContact CZ-CG 4.07Å; I173-P274 HydrophobicContact CD1-CG 4.46Å; Q255-P274 HydrophobicContact CG-CB 4.08Å; P274-I276 HydrophobicContact CB-CD1 4.26Å; P274-I276 HydrophobicContact CG-CD1 4.03Å; P274-I276 HydrophobicContact CG-CG1 4.45Å; P274-K301 PolarHBondContact O-NZ 2.86Å |
| 275 | N | 82.8 | Confident | 69.7 | Low | 61 Ų | 61 | 66.3 Ų | 66.3 | 33% | 0.326 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 120.2 | 172.1 | -68.6 | -1.5 | 0 | 0 | 0 | 108.9 | T256 K301 | T256-N275 PolarHBondContact N-O 3.06Å; T256-N275 VanDerWaalsContact OG1-CB 3.3Å; T256-N275 WeakPolarHBondContact OG1-CB 3.25Å; T256-N275 PolarHBondContact OG1-O 3.46Å; N275-K301 PolarHBondContact OD1-NZ 2.88Å |
| 276 | I | 88.2 | Confident | 71.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 122.7 | -179 | -56.1 | -56 | 0 | 0 | 0 | 109.8 | L167 F169 V177 L253 Q255 P274 D295 I296 L297 | L167-I276 HydrophobicContact CD2-CD1 3.95Å; L167-I276 HydrophobicContact CD2-CG2 4.14Å; F169-I276 HydrophobicContact CD1-CD1 4.28Å; F169-I276 HydrophobicContact CE1-CD1 3.95Å; F169-I276 HydrophobicContact CE1-CG1 4.08Å; V177-I276 HydrophobicContact CG2-CG1 4.04Å; L253-I276 HydrophobicContact CD2-CG2 4.14Å; Q255-I276 HydrophobicContact CB-CD1 3.72Å; Q255-I276 HydrophobicContact CG-CD1 3.98Å; P274-I276 HydrophobicContact CB-CD1 4.26Å; P274-I276 HydrophobicContact CG-CD1 4.03Å; P274-I276 HydrophobicContact CG-CG1 4.45Å; I276-D295 CarbonylContact O-C 3.51Å; I276-D295 WeakPolarHBondContact O-CA 3.26Å; I276-D295 PolarHBondContact O-N 2.73Å; I276-I296 HydrophobicContact CB-CG1 4.04Å; I276-I296 HydrophobicContact CG2-CD1 4.03Å; I276-I296 HydrophobicContact CG2-CG1 3.94Å; I276-I296 PolarHBondContact O-N 2.85Å; I276-L297 HydrophobicContact CB-CD1 4.48Å; I276-L297 HydrophobicContact CB-CG 4.28Å; I276-L297 HydrophobicContact CG1-CD1 3.68Å; I276-L297 HydrophobicContact CG1-CG 4.02Å |
| 277 | R | 89.8 | Confident | 73.3 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 6% | 0.064 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 142.9 | 173.5 | -55.7 | -158.7 | -61.9 | 178.3 | 2.9 | 111.5 | L253 Q254 T256 L293 D294 W329 S378 | L253-R277 WeakPolarHBondContact CA-O 3.45Å; Q254-R277 PolarHBondContact N-O 2.82Å; Q254-R277 VanDerWaalsContact N-O 3.08Å; Q254-R277 PolarHBondContact O-N 2.84Å; T256-R277 HydrophobicContact CG2-CG 3.96Å; R277-L293 VanDerWaalsContact CA-O 3.31Å; R277-L293 WeakPolarHBondContact CA-O 3.32Å; R277-D294 WeakPolarHBondContact CD-OD1 3.17Å; R277-D294 IonicContact NH1-OD1 2.89Å; R277-W329 HydrophobicContact CB-CZ2 4.37Å; R277-S378 VanDerWaalsContact NH1-CB 3.28Å; R277-S378 PolarHBondContact NH1-OG 3.27Å; R277-S378 PolarHBondContact NH2-OG 3.03Å; R277-S378 VanDerWaalsContact NH2-OG 3.12Å |
| 278 | L | 92.1 | Very high | 75.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.6 | 170.7 | 176.7 | 68.1 | 0 | 0 | 0 | 109.7 | V179 I233 F251 L253 I292 L293 I296 | V179-L278 HydrophobicContact CG1-CD1 4.49Å; I233-L278 HydrophobicContact CD1-CD2 3.65Å; F251-L278 HydrophobicContact CB-CD1 3.84Å; F251-L278 HydrophobicContact CD2-CD1 3.56Å; F251-L278 HydrophobicContact CE2-CD1 4.39Å; F251-L278 HydrophobicContact CG-CD1 3.92Å; L253-L278 HydrophobicContact CD2-CB 4.29Å; L253-L278 HydrophobicContact CD2-CD1 3.71Å; L253-L278 HydrophobicContact CG-CD1 4.47Å; L278-I292 WeakPolarHBondContact O-CA 3.48Å; L278-L293 HydrophobicContact CB-CB 4.35Å; L278-L293 HydrophobicContact CD2-CD2 4.42Å; L278-L293 PolarHBondContact N-O 2.88Å; L278-L293 PolarHBondContact O-N 2.87Å; L278-I296 HydrophobicContact CB-CD1 4.39Å; L278-I296 HydrophobicContact CB-CG2 3.64Å; L278-I296 HydrophobicContact CD2-CG2 4.38Å |
| 279 | L | 92.7 | Very high | 77.8 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.6 | 167.3 | -179.1 | 70 | 0 | 0 | 0 | 107.8 | F251 D252 V290 I292 V327 R328 W329 A360 | F251-L279 CarbonylContact C-O 3.42Å; F251-L279 WeakPolarHBondContact CA-O 3.37Å; F251-L279 WeakPolarHBondContact CB-O 3.34Å; D252-L279 PolarHBondContact N-O 3.27Å; D252-L279 PolarHBondContact O-N 3.35Å; L279-V290 HydrophobicContact CD1-CG1 3.42Å; L279-V290 VanDerWaalsContact CD1-CG1 3.42Å; L279-V290 HydrophobicContact CG-CG1 4.21Å; L279-I292 HydrophobicContact CD1-CD1 4.29Å; L279-I292 HydrophobicContact CD1-CG1 3.53Å; L279-V327 HydrophobicContact CD2-CB 3.85Å; L279-V327 HydrophobicContact CD2-CG2 4.28Å; L279-V327 HydrophobicContact CG-CB 3.98Å; L279-V327 HydrophobicContact CG-CG2 4.05Å; L279-R328 WeakPolarHBondContact CD2-O 3.49Å; L279-W329 HydrophobicContact CB-CD2 4.4Å; L279-W329 HydrophobicContact CB-CZ2 3.68Å; L279-W329 HydrophobicContact CD1-CH2 4.28Å; L279-W329 HydrophobicContact CD1-CZ2 4.19Å; L279-W329 HydrophobicContact CD2-CD2 4.17Å; L279-W329 HydrophobicContact CD2-CG 4.43Å; L279-W329 HydrophobicContact CG-CZ2 4.36Å; L279-A360 HydrophobicContact CD1-CB 3.69Å; L279-A360 HydrophobicContact CD2-CB 4.04Å |
| 280 | T | 93 | Very high | 80.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 136.6 | -174.5 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | F235 G248 L282 H291 L293 | F235-T280 HydrophobicContact CE1-CG2 3.61Å; F235-T280 HydrophobicContact CZ-CG2 3.74Å; G248-T280 WeakPolarHBondContact CA-OG1 3.39Å; G248-T280 PolarHBondContact N-OG1 2.95Å; T280-L282 HydrophobicContact CG2-CD1 4.41Å; T280-H291 HydrophobicContact CG2-CB 3.84Å; T280-H291 PolarHBondContact N-O 3Å; T280-H291 PolarHBondContact O-N 2.87Å; T280-L293 HydrophobicContact CG2-CD1 3.67Å |
| 281 | S | 90.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 140 | 178.8 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | G247 G248 F249 S250 S324 | G247-S281 WeakPolarHBondContact CA-O 3.48Å; G248-S281 PolarHBondContact N-O 2.91Å; F249-S281 PolarHBondContact N-OG 3.29Å; S250-S281 PolarHBondContact N-OG 3.15Å; S250-S281 PolarHBondContact O-N 3.41Å; S250-S281 PolarHBondContact O-OG 3.47Å; S250-S281 VanDerWaalsContact O-OG 3.08Å; S281-S324 WeakPolarHBondContact CB-O 3.39Å |
| 282 | L | 89.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 64.3 | 164.9 | -74.7 | 68.9 | 0 | 0 | 0 | 108 | F235 C245 T280 L284 A285 E289 H291 | F235-L282 HydrophobicContact CD1-CD1 3.99Å; F235-L282 HydrophobicContact CD1-CG 4.48Å; F235-L282 HydrophobicContact CE1-CD1 4.32Å; C245-L282 HydrophobicContact CB-CB 4.33Å; C245-L282 HydrophobicContact CB-CD2 4.23Å; C245-L282 HydrophobicContact CB-CG 4.47Å; C245-L282 CarbonylContact O-C 3.48Å; C245-L282 WeakPolarHBondContact O-CA 3.04Å; T280-L282 HydrophobicContact CG2-CD1 4.41Å; L282-L284 VanDerWaalsContact C-N 3.32Å; L282-L284 PolarHBondContact O-N 2.93Å; L282-A285 HydrophobicContact CB-CB 4.35Å; L282-A285 VanDerWaalsContact O-CB 3.24Å; L282-A285 WeakPolarHBondContact O-CB 3.36Å; L282-A285 PolarHBondContact O-N 2.95Å; L282-E289 WeakPolarHBondContact CA-O 3.14Å; L282-E289 HydrophobicContact CB-CB 4.19Å; L282-E289 WeakPolarHBondContact CB-O 3.45Å; L282-E289 PolarHBondContact N-O 2.96Å; L282-E289 PolarHBondContact O-N 2.51Å; L282-H291 HydrophobicContact CD1-CB 4.22Å |
| 283 | F | 84.2 | Confident | 85.2 | Confident | 24 Ų | 24 | 18.9 Ų | 18.9 | 11% | 0.105 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -19.2 | -167.5 | 85.4 | -75.3 | 0 | 0 | 0 | 115.3 | C245 F249 A285 Q322 F323 Q325 | C245-F283 PolarHBondContact O-N 3.4Å; F249-F283 HydrophobicContact CB-CD1 3.43Å; F249-F283 VanDerWaalsContact CB-CD1 3.43Å; F249-F283 HydrophobicContact CB-CE1 3.5Å; F249-F283 VanDerWaalsContact CB-CE1 3.5Å; F249-F283 AromaticContact CD1-CD1 3.84Å; F249-F283 HydrophobicContact CD1-CD1 3.84Å; F249-F283 AromaticContact CD1-CE1 3.86Å; F249-F283 HydrophobicContact CD1-CE1 3.86Å; F249-F283 HydrophobicContact CD1-CG 4.36Å; F249-F283 HydrophobicContact CD1-CZ 4.39Å; F249-F283 HydrophobicContact CD2-CD1 4.08Å; F249-F283 AromaticContact CD2-CE1 3.32Å; F249-F283 HydrophobicContact CD2-CE1 3.32Å; F249-F283 AromaticContact CD2-CZ 3.8Å; F249-F283 HydrophobicContact CD2-CZ 3.8Å; F249-F283 HydrophobicContact CE1-CE1 4.41Å; F249-F283 AromaticContact CE2-CE1 3.94Å; F249-F283 HydrophobicContact CE2-CE1 3.94Å; F249-F283 AromaticContact CE2-CZ 3.93Å; F249-F283 HydrophobicContact CE2-CZ 3.93Å; F249-F283 AromaticContact CG-CD1 3.52Å; F249-F283 HydrophobicContact CG-CD1 3.52Å; F249-F283 AromaticContact CG-CE1 3.27Å; F249-F283 HydrophobicContact CG-CE1 3.27Å; F249-F283 HydrophobicContact CG-CG 4.45Å; F249-F283 HydrophobicContact CG-CZ 4.04Å; F249-F283 HydrophobicContact CZ-CE1 4.45Å; F249-F283 HydrophobicContact CZ-CZ 4.29Å; F283-A285 VanDerWaalsContact C-N 3.34Å; F283-Q322 WeakPolarHBondContact O-CA 3.1Å; F283-Q322 PolarHBondContact O-N 3.06Å; F283-F323 WeakPolarHBondContact CA-O 3.49Å; F283-Q325 HydrophobicContact CD2-CG 4.4Å |
| 284 | L | 81.7 | Confident | 85.5 | Confident | 58 Ų | 58 | 19.5 Ų | 19.5 | 30% | 0.304 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13.8 | 175.1 | -64.2 | 176.8 | 0 | 0 | 0 | 112.4 | P244 C245 L282 | P244-L284 HydrophobicContact CB-CD1 4.49Å; P244-L284 CarbonylContact O-C 3.57Å; P244-L284 VanDerWaalsContact O-C 3.24Å; C245-L284 PolarHBondContact O-N 3.1Å; L282-L284 VanDerWaalsContact C-N 3.32Å; L282-L284 PolarHBondContact O-N 2.93Å |
| 285 | A | 81.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -57.6 | 153.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | C245 L282 F283 P287 G288 E289 | C245-A285 HydrophobicContact CB-CB 4Å; L282-A285 HydrophobicContact CB-CB 4.35Å; L282-A285 VanDerWaalsContact O-CB 3.24Å; L282-A285 WeakPolarHBondContact O-CB 3.36Å; L282-A285 PolarHBondContact O-N 2.95Å; F283-A285 VanDerWaalsContact C-N 3.34Å; A285-P287 CarbonylContact C-O 3.58Å; A285-P287 VanDerWaalsContact CB-O 3.28Å; A285-P287 WeakPolarHBondContact CB-O 3.45Å; A285-P287 CarbonylContact O-C 3.54Å; A285-G288 VanDerWaalsContact O-CA 3.28Å; A285-G288 WeakPolarHBondContact O-CA 3.26Å; A285-G288 PolarHBondContact O-N 3.17Å; A285-E289 HydrophobicContact CB-CG 4.19Å |
| 286 | N | 75.2 | Confident | 85.7 | Confident | 115 Ų | 115 | 17.5 Ų | 17.5 | 62% | 0.615 | 9% | 0.092 | S | C | * | . | S | Bend | trans | -125.1 | 104.9 | 177.8 | -169.8 | 2.9 | 0 | 0 | 0 | 110.5 | ||
| 287 | P | 74.8 | Confident | 85.5 | Confident | 49 Ų | 49 | 17.5 Ų | 17.5 | 32% | 0.318 | 9% | 0.092 | S | C | . | . | S | Bend | cis | -66.3 | 164.2 | -7.5 | 32.4 | -36.8 | 0 | 0 | 0 | 112 | A285 G318 | A285-P287 CarbonylContact C-O 3.58Å; A285-P287 VanDerWaalsContact CB-O 3.28Å; A285-P287 WeakPolarHBondContact CB-O 3.45Å; A285-P287 CarbonylContact O-C 3.54Å; P287-G318 WeakPolarHBondContact CB-O 3.37Å; P287-G318 WeakPolarHBondContact CG-O 3.48Å |
| 288 | G | 78.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -62.7 | 147.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A285 G318 Q320 F323 | A285-G288 VanDerWaalsContact O-CA 3.28Å; A285-G288 WeakPolarHBondContact O-CA 3.26Å; A285-G288 PolarHBondContact O-N 3.17Å; G288-G318 WeakPolarHBondContact O-CA 3.42Å; G288-G318 PolarHBondContact O-N 2.9Å; G288-Q320 PolarHBondContact N-O 3.19Å; G288-F323 VanDerWaalsContact O-CD1 3.25Å; G288-F323 WeakPolarHBondContact O-CD1 3.41Å | ||
| 289 | E | 85.9 | Confident | 83.9 | Confident | 20 Ų | 20 | 21 Ų | 21 | 9% | 0.093 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 154.1 | -175.8 | -60.5 | -174.7 | -168.6 | 0 | 0 | 112 | L282 A285 H291 L317 S324 | L282-E289 WeakPolarHBondContact CA-O 3.14Å; L282-E289 HydrophobicContact CB-CB 4.19Å; L282-E289 WeakPolarHBondContact CB-O 3.45Å; L282-E289 PolarHBondContact N-O 2.96Å; L282-E289 PolarHBondContact O-N 2.51Å; A285-E289 HydrophobicContact CB-CG 4.19Å; E289-H291 IonicContact OE2-NE2 3.73Å; E289-L317 HydrophobicContact CG-CD2 3.79Å; E289-S324 PolarHBondContact O-OG 3.3Å; E289-S324 VanDerWaalsContact O-OG 3.05Å |
| 290 | V | 88.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.9 | 166.9 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | L279 R315 I316 F323 V327 V362 | L279-V290 HydrophobicContact CD1-CG1 3.42Å; L279-V290 VanDerWaalsContact CD1-CG1 3.42Å; L279-V290 HydrophobicContact CG-CG1 4.21Å; V290-R315 WeakPolarHBondContact O-CA 3.25Å; V290-I316 HydrophobicContact CB-CB 4.22Å; V290-I316 HydrophobicContact CB-CD1 4.45Å; V290-I316 HydrophobicContact CG1-CD1 4.44Å; V290-I316 PolarHBondContact N-O 2.94Å; V290-I316 PolarHBondContact O-N 2.77Å; V290-F323 HydrophobicContact CG2-CE1 3.94Å; V290-V327 HydrophobicContact CG1-CG1 4.29Å; V290-V327 HydrophobicContact CG2-CG1 3.9Å; V290-V362 HydrophobicContact CG2-CG1 3.79Å; V290-V362 HydrophobicContact CG2-CG2 3.99Å |
| 291 | H | 88.8 | Confident | 82.2 | Confident | 14 Ų | 14 | 24.5 Ų | 24.5 | 7% | 0.065 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135 | 171.1 | -70.5 | 177.6 | 0 | 0 | 0 | 110.4 | T280 L282 E289 L293 V313 H314 | T280-H291 HydrophobicContact CG2-CB 3.84Å; T280-H291 PolarHBondContact N-O 3Å; T280-H291 PolarHBondContact O-N 2.87Å; L282-H291 HydrophobicContact CD1-CB 4.22Å; E289-H291 IonicContact OE2-NE2 3.73Å; H291-L293 HydrophobicContact CB-CD1 3.78Å; H291-V313 HydrophobicContact CB-CG1 4.14Å; H291-H314 WeakPolarHBondContact CA-O 3.34Å |
| 292 | I | 87.8 | Confident | 80.8 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 116.9 | 165 | -63.2 | 161.2 | 0 | 0 | 0 | 106.1 | L278 L279 V313 H314 I316 W329 A360 | L278-I292 WeakPolarHBondContact O-CA 3.48Å; L279-I292 HydrophobicContact CD1-CD1 4.29Å; L279-I292 HydrophobicContact CD1-CG1 3.53Å; I292-V313 WeakPolarHBondContact O-CA 2.97Å; I292-H314 HydrophobicContact CB-CB 4.23Å; I292-H314 PolarHBondContact N-O 3.5Å; I292-H314 PolarHBondContact O-N 2.68Å; I292-I316 HydrophobicContact CD1-CD1 3.98Å; I292-W329 HydrophobicContact CD1-CH2 3.96Å; I292-W329 HydrophobicContact CG1-CH2 3.96Å; I292-W329 HydrophobicContact CG1-CZ2 4.34Å; I292-W329 HydrophobicContact CG2-CH2 4Å; I292-W329 HydrophobicContact CG2-CZ2 4.11Å; I292-A360 HydrophobicContact CD1-CB 4.42Å |
| 293 | L | 87.8 | Confident | 79.4 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.7 | 175.3 | -65.1 | 72.7 | 0 | 0 | 0 | 107.7 | I233 R277 L278 T280 H291 I296 F311 S312 V313 | I233-L293 HydrophobicContact CD1-CD2 3.54Å; I233-L293 HydrophobicContact CG1-CD2 4.09Å; I233-L293 HydrophobicContact CG2-CD2 4.02Å; R277-L293 VanDerWaalsContact CA-O 3.31Å; R277-L293 WeakPolarHBondContact CA-O 3.32Å; L278-L293 HydrophobicContact CB-CB 4.35Å; L278-L293 HydrophobicContact CD2-CD2 4.42Å; L278-L293 PolarHBondContact N-O 2.88Å; L278-L293 PolarHBondContact O-N 2.87Å; T280-L293 HydrophobicContact CG2-CD1 3.67Å; H291-L293 HydrophobicContact CB-CD1 3.78Å; L293-I296 HydrophobicContact CB-CG2 3.95Å; L293-I296 HydrophobicContact CD2-CG2 4.38Å; L293-F311 HydrophobicContact CB-CD2 4.04Å; L293-F311 HydrophobicContact CB-CE2 4.41Å; L293-F311 HydrophobicContact CD2-CD2 3.81Å; L293-F311 HydrophobicContact CD2-CE2 3.35Å; L293-F311 HydrophobicContact CD2-CZ 3.83Å; L293-F311 HydrophobicContact CG-CD2 3.89Å; L293-F311 HydrophobicContact CG-CE2 3.77Å; L293-S312 WeakPolarHBondContact CA-O 3.48Å; L293-V313 HydrophobicContact CG-CG2 4.41Å |
| 294 | D | 82 | Confident | 78 | Confident | 34 Ų | 34 | 37.3 Ų | 37.3 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -85.9 | 136.4 | 174.5 | -48.2 | -72.6 | 0 | 0 | 0 | 111 | R277 F311 S312 H314 | R277-D294 WeakPolarHBondContact CD-OD1 3.17Å; R277-D294 IonicContact NH1-OD1 2.89Å; D294-F311 VanDerWaalsContact O-CB 3.24Å; D294-F311 WeakPolarHBondContact O-CB 3.45Å; D294-S312 WeakPolarHBondContact CB-OG 3.48Å; D294-S312 PolarHBondContact N-O 3.17Å; D294-S312 VanDerWaalsContact N-O 3.13Å; D294-S312 PolarHBondContact OD2-OG 2.99Å; D294-H314 IonicContact OD2-CD2 2.65Å; D294-H314 PolarHBondContact OD2-CD2 2.53Å; D294-H314 IonicContact OD2-NE2 3.95Å; D294-H314 PolarHBondContact OD2-NE2 3.13Å |
| 295 | D | 81.6 | Confident | 76.7 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | trans | 53.3 | 65.3 | 178.8 | -164.2 | 32.4 | 0 | 0 | 0 | 115.4 | I276 L297 M298 K301 | I276-D295 CarbonylContact O-C 3.51Å; I276-D295 WeakPolarHBondContact O-CA 3.26Å; I276-D295 PolarHBondContact O-N 2.73Å; D295-L297 PolarHBondContact O-N 3.14Å; D295-M298 WeakPolarHBondContact O-CB 3.24Å; D295-M298 PolarHBondContact O-N 3.03Å; D295-K301 IonicContact OD1-NZ 3.8Å; D295-K301 PolarHBondContact OD1-NZ 2.91Å; D295-K301 IonicContact OD2-NZ 2.72Å; D295-K301 PolarHBondContact OD2-NZ 2.78Å | ||
| 296 | I | 86 | Confident | 75.2 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -9 | 171.7 | 63.7 | 164.5 | 0 | 0 | 0 | 113.8 | V177 V179 I212 I233 L253 I276 L278 L293 | V177-I296 HydrophobicContact CG1-CD1 4.01Å; V179-I296 HydrophobicContact CG2-CD1 4.09Å; I212-I296 HydrophobicContact CD1-CB 3.95Å; I212-I296 HydrophobicContact CD1-CD1 4.43Å; I212-I296 HydrophobicContact CG1-CD1 4.41Å; I233-I296 HydrophobicContact CD1-CG2 4.41Å; L253-I296 HydrophobicContact CD2-CD1 3.95Å; I276-I296 HydrophobicContact CB-CG1 4.04Å; I276-I296 HydrophobicContact CG2-CD1 4.03Å; I276-I296 HydrophobicContact CG2-CG1 3.94Å; I276-I296 PolarHBondContact O-N 2.85Å; L278-I296 HydrophobicContact CB-CD1 4.39Å; L278-I296 HydrophobicContact CB-CG2 3.64Å; L278-I296 HydrophobicContact CD2-CG2 4.38Å; L293-I296 HydrophobicContact CB-CG2 3.95Å; L293-I296 HydrophobicContact CD2-CG2 4.38Å |
| 297 | L | 83.8 | Confident | 73.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 1.7 | 174.8 | -62.5 | -169.9 | 0 | 0 | 0 | 114.1 | F169 V177 L214 L273 I276 D295 N299 F300 K301 | F169-L297 HydrophobicContact CE1-CD1 4.13Å; F169-L297 HydrophobicContact CZ-CD1 3.88Å; V177-L297 HydrophobicContact CG1-CD2 4.29Å; V177-L297 HydrophobicContact CG2-CD1 3.75Å; V177-L297 HydrophobicContact CG2-CD2 3.78Å; V177-L297 HydrophobicContact CG2-CG 4.09Å; L214-L297 HydrophobicContact CB-CD2 4.39Å; L214-L297 HydrophobicContact CD1-CD1 4.03Å; L214-L297 HydrophobicContact CD1-CD2 4.11Å; L214-L297 HydrophobicContact CD2-CD2 4.33Å; L273-L297 HydrophobicContact CB-CD1 4.42Å; I276-L297 HydrophobicContact CB-CD1 4.48Å; I276-L297 HydrophobicContact CB-CG 4.28Å; I276-L297 HydrophobicContact CG1-CD1 3.68Å; I276-L297 HydrophobicContact CG1-CG 4.02Å; D295-L297 PolarHBondContact O-N 3.14Å; L297-N299 VanDerWaalsContact C-N 3.26Å; L297-N299 PolarHBondContact O-N 3.21Å; L297-F300 HydrophobicContact CD2-CD2 4.04Å; L297-F300 HydrophobicContact CD2-CE2 4.47Å; L297-F300 WeakPolarHBondContact O-CA 3.28Å; L297-F300 WeakPolarHBondContact O-CB 3.28Å; L297-F300 PolarHBondContact O-N 3.49Å; L297-K301 PolarHBondContact O-N 3.43Å |
| 298 | M | 76.2 | Confident | 72.6 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -51.6 | -42.8 | -178.5 | -166 | -178.8 | -151.6 | 0 | 0 | 112.8 | D295 F300 K301 I303 A309 | D295-M298 WeakPolarHBondContact O-CB 3.24Å; D295-M298 PolarHBondContact O-N 3.03Å; M298-F300 PolarHBondContact O-N 2.92Å; M298-K301 PolarHBondContact O-N 3.25Å; M298-K301 VanDerWaalsContact O-N 3.13Å; M298-I303 HydrophobicContact CE-CD1 3.98Å; M298-I303 HydrophobicContact CG-CD1 3.49Å; M298-I303 VanDerWaalsContact CG-CD1 3.49Å; M298-A309 HydrophobicContact CG-CB 4.34Å; M298-A309 HydrophobicContact SD-CB 4.15Å |
| 299 | N | 72 | Confident | 71.3 | Confident | 41 Ų | 41 | 59.2 Ų | 59.2 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -72.1 | -9.9 | 178.9 | -69.3 | -0.7 | 0 | 0 | 0 | 114.6 | Q223 L297 | Q223-N299 HydrophobicContact CG-CB 4.49Å; L297-N299 VanDerWaalsContact C-N 3.26Å; L297-N299 PolarHBondContact O-N 3.21Å |
| 300 | F | 75.9 | Confident | 70.1 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -97.4 | -8.7 | 173.1 | -63.4 | -90.7 | 0 | 0 | 0 | 112.5 | I212 L214 L221 Q223 L273 L297 M298 | I212-F300 HydrophobicContact CG2-CE2 4.07Å; L214-F300 HydrophobicContact CB-CD1 3.98Å; L214-F300 HydrophobicContact CB-CE1 3.94Å; L214-F300 HydrophobicContact CB-CG 4.3Å; L214-F300 HydrophobicContact CB-CZ 4.22Å; L214-F300 HydrophobicContact CD2-CB 3.55Å; L214-F300 HydrophobicContact CD2-CD1 3.7Å; L214-F300 HydrophobicContact CD2-CD2 4.35Å; L214-F300 HydrophobicContact CD2-CE1 4.5Å; L214-F300 HydrophobicContact CD2-CG 3.61Å; L214-F300 HydrophobicContact CG-CD1 4.48Å; L221-F300 HydrophobicContact CB-CD1 4.26Å; Q223-F300 HydrophobicContact CG-CD1 4.3Å; Q223-F300 HydrophobicContact CG-CE1 3.92Å; Q223-F300 HydrophobicContact CG-CE2 4.42Å; Q223-F300 HydrophobicContact CG-CZ 3.99Å; L273-F300 HydrophobicContact CD1-CB 3.79Å; L297-F300 HydrophobicContact CD2-CD2 4.04Å; L297-F300 HydrophobicContact CD2-CE2 4.47Å; L297-F300 WeakPolarHBondContact O-CA 3.28Å; L297-F300 WeakPolarHBondContact O-CB 3.28Å; L297-F300 PolarHBondContact O-N 3.49Å; M298-F300 PolarHBondContact O-N 2.92Å |
| 301 | K | 75 | Confident | 69.1 | Low | 45 Ų | 45 | 68.6 Ų | 68.6 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -86.2 | 146.6 | 175.8 | -65.5 | 172.6 | -174 | 172 | 0 | 110.1 | L273 P274 N275 D295 L297 M298 I303 | L273-K301 HydrophobicContact CB-CG 4.22Å; L273-K301 HydrophobicContact CD1-CG 4.28Å; L273-K301 WeakPolarHBondContact O-CE 3.47Å; L273-K301 PolarHBondContact O-NZ 2.95Å; P274-K301 PolarHBondContact O-NZ 2.86Å; N275-K301 PolarHBondContact OD1-NZ 2.88Å; D295-K301 IonicContact OD1-NZ 3.8Å; D295-K301 PolarHBondContact OD1-NZ 2.91Å; D295-K301 IonicContact OD2-NZ 2.72Å; D295-K301 PolarHBondContact OD2-NZ 2.78Å; L297-K301 PolarHBondContact O-N 3.43Å; M298-K301 PolarHBondContact O-N 3.25Å; M298-K301 VanDerWaalsContact O-N 3.13Å; K301-I303 VanDerWaalsContact C-N 3.29Å; K301-I303 HydrophobicContact CB-CD1 4.42Å; K301-I303 HydrophobicContact CB-CG1 4.16Å; K301-I303 PolarHBondContact O-N 3.44Å |
| 302 | N | 61.5 | Low | 68.3 | Low | 131 Ų | 131 | 70.7 Ų | 70.7 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | trans | -77.1 | 78.3 | 177.1 | -71.9 | -41.2 | 0 | 0 | 0 | 110.4 | R224 | R224-N302 PolarHBondContact NH1-OD1 2.95Š| ||
| 303 | I | 60.6 | Low | 67.8 | Low | 58 Ų | 58 | 73.3 Ų | 73.3 | 30% | 0.297 | 38% | 0.377 | S | S | . | . | trans | -94.8 | 132.4 | 175.1 | -56.1 | 175.3 | 0 | 0 | 0 | 108.4 | M298 K301 | M298-I303 HydrophobicContact CE-CD1 3.98Å; M298-I303 HydrophobicContact CG-CD1 3.49Å; M298-I303 VanDerWaalsContact CG-CD1 3.49Å; K301-I303 VanDerWaalsContact C-N 3.29Å; K301-I303 HydrophobicContact CB-CD1 4.42Å; K301-I303 HydrophobicContact CB-CG1 4.16Å; K301-I303 PolarHBondContact O-N 3.44Å | ||
| 304 | P | 54.4 | Low | 67.4 | Low | 105 Ų | 105 | 76.5 Ų | 76.5 | 68% | 0.682 | 39% | 0.392 | S | S | * | . | trans | -66.1 | 141.4 | -179.8 | 25.4 | -33.6 | 0 | 0 | 0 | 112.7 | Q306 | P304-Q306 PolarHBondContact O-N 2.84Š| ||
| 305 | D | 53.4 | Low | 67.4 | Low | 154 Ų | 154 | 79.9 Ų | 79.9 | 82% | 0.824 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -0 | -165.4 | -71.7 | -59 | 0 | 0 | 0 | 117.6 | ||
| 306 | Q | 49.2 | Very low | 67.4 | Low | 196 Ų | 196 | 78.9 Ų | 78.9 | 92% | 0.916 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -3.8 | -178.2 | -70.7 | -171.7 | -20.5 | 0 | 0 | 114.6 | P304 | P304-Q306 PolarHBondContact O-N 2.84Š|
| 307 | Q | 47.2 | Very low | 67.1 | Low | 146 Ų | 146 | 82.7 Ų | 82.7 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -118.4 | 127.8 | 174.1 | -67.5 | -177.9 | -9 | 0 | 0 | 110.7 | A309 | Q307-A309 PolarHBondContact O-N 3.04Š|
| 308 | Q | 48.8 | Very low | 66.6 | Low | 157 Ų | 157 | 83.1 Ų | 83.1 | 73% | 0.734 | 42% | 0.421 | S | S | * | . | trans | -65.8 | 99.2 | 167.3 | -76.9 | -171.9 | -3 | 0 | 0 | 108.7 | K310 | Q308-K310 PolarHBondContact O-N 3.22Š| ||
| 309 | A | 51.1 | Low | 66.3 | Low | 30 Ų | 30 | 84.9 Ų | 84.9 | 25% | 0.248 | 44% | 0.438 | C | S | . | . | trans | -58.9 | 101.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | M298 Q307 | M298-A309 HydrophobicContact CG-CB 4.34Å; M298-A309 HydrophobicContact SD-CB 4.15Å; Q307-A309 PolarHBondContact O-N 3.04Å | ||
| 310 | K | 59.9 | Low | 66.2 | Low | 150 Ų | 150 | 84.3 Ų | 84.3 | 65% | 0.652 | 43% | 0.434 | S | S | * | . | trans | -123.8 | 117.2 | 171.1 | -76.5 | 171.6 | 174.6 | 154.1 | 0 | 106.4 | Q308 | Q308-K310 PolarHBondContact O-N 3.22Š| ||
| 311 | F | 67.4 | Low | 65.6 | Low | 67 Ų | 67 | 86.9 Ų | 86.9 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | trans | -58.4 | 145.8 | 168.6 | 47.3 | -95.4 | 0 | 0 | 0 | 110.1 | I233 L293 D294 V313 | I233-F311 HydrophobicContact CG1-CZ 4.48Å; L293-F311 HydrophobicContact CB-CD2 4.04Å; L293-F311 HydrophobicContact CB-CE2 4.41Å; L293-F311 HydrophobicContact CD2-CD2 3.81Å; L293-F311 HydrophobicContact CD2-CE2 3.35Å; L293-F311 HydrophobicContact CD2-CZ 3.83Å; L293-F311 HydrophobicContact CG-CD2 3.89Å; L293-F311 HydrophobicContact CG-CE2 3.77Å; D294-F311 VanDerWaalsContact O-CB 3.24Å; D294-F311 WeakPolarHBondContact O-CB 3.45Å; F311-V313 HydrophobicContact CD2-CG2 3.54Å; F311-V313 HydrophobicContact CE2-CG2 3.48Å; F311-V313 VanDerWaalsContact CE2-CG2 3.48Å | ||
| 312 | S | 72.2 | Confident | 65.3 | Low | 58 Ų | 58 | 88.5 Ų | 88.5 | 41% | 0.406 | 46% | 0.46 | S | S | . | . | trans | -66.7 | 139.7 | 170.3 | 40.3 | 0 | 0 | 0 | 0 | 109.7 | L293 D294 | L293-S312 WeakPolarHBondContact CA-O 3.48Å; D294-S312 WeakPolarHBondContact CB-OG 3.48Å; D294-S312 PolarHBondContact N-O 3.17Å; D294-S312 VanDerWaalsContact N-O 3.13Å; D294-S312 PolarHBondContact OD2-OG 2.99Å | ||
| 313 | V | 78.1 | Confident | 66.2 | Low | 58 Ų | 58 | 82.3 Ų | 82.3 | 35% | 0.352 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 102.9 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | H291 I292 L293 F311 R315 | H291-V313 HydrophobicContact CB-CG1 4.14Å; I292-V313 WeakPolarHBondContact O-CA 2.97Å; L293-V313 HydrophobicContact CG-CG2 4.41Å; F311-V313 HydrophobicContact CD2-CG2 3.54Å; F311-V313 HydrophobicContact CE2-CG2 3.48Å; F311-V313 VanDerWaalsContact CE2-CG2 3.48Å; V313-R315 HydrophobicContact CG1-CG 4.36Å |
| 314 | H | 80.4 | Confident | 67.4 | Low | 67 Ų | 67 | 79.5 Ų | 79.5 | 31% | 0.31 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 141.8 | 168.2 | -61 | -90.6 | 0 | 0 | 0 | 109 | H291 I292 D294 | H291-H314 WeakPolarHBondContact CA-O 3.34Å; I292-H314 HydrophobicContact CB-CB 4.23Å; I292-H314 PolarHBondContact N-O 3.5Å; I292-H314 PolarHBondContact O-N 2.68Å; D294-H314 IonicContact OD2-CD2 2.65Å; D294-H314 PolarHBondContact OD2-CD2 2.53Å; D294-H314 IonicContact OD2-NE2 3.95Å; D294-H314 PolarHBondContact OD2-NE2 3.13Å |
| 315 | R | 81 | Confident | 68.9 | Low | 106 Ų | 106 | 76.1 Ų | 76.1 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.2 | -178 | -53.8 | -168.2 | -170.4 | 168.4 | 2.5 | 110.6 | Y241 V290 V313 | Y241-R315 PolarHBondContact OH-NH2 3.27Å; V290-R315 WeakPolarHBondContact O-CA 3.25Å; V313-R315 HydrophobicContact CG1-CG 4.36Å |
| 316 | I | 81.4 | Confident | 70.7 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.015 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 109.1 | 167.2 | -58 | 158.2 | 0 | 0 | 0 | 106.2 | V290 I292 F323 A360 F376 | V290-I316 HydrophobicContact CB-CB 4.22Å; V290-I316 HydrophobicContact CB-CD1 4.45Å; V290-I316 HydrophobicContact CG1-CD1 4.44Å; V290-I316 PolarHBondContact N-O 2.94Å; V290-I316 PolarHBondContact O-N 2.77Å; I292-I316 HydrophobicContact CD1-CD1 3.98Å; I316-F323 HydrophobicContact CG2-CE1 4.29Å; I316-F323 HydrophobicContact CG2-CZ 4.05Å; I316-A360 HydrophobicContact CD1-CB 4.09Å; I316-F376 HydrophobicContact CD1-CB 3.65Å; I316-F376 HydrophobicContact CD1-CD2 4.16Å; I316-F376 HydrophobicContact CD1-CG 3.96Å; I316-F376 HydrophobicContact CG1-CB 4.29Å; I316-F376 HydrophobicContact CG1-CG 4.38Å; I316-F376 HydrophobicContact CG2-CD1 3.67Å; I316-F376 HydrophobicContact CG2-CD2 3.88Å; I316-F376 HydrophobicContact CG2-CE1 3.62Å; I316-F376 HydrophobicContact CG2-CE2 3.83Å; I316-F376 HydrophobicContact CG2-CG 3.79Å; I316-F376 HydrophobicContact CG2-CZ 3.69Å |
| 317 | L | 79.4 | Confident | 72.8 | Confident | 87 Ų | 87 | 60.8 Ų | 60.8 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 125.9 | 178.3 | -58.5 | 178.5 | 0 | 0 | 0 | 109.5 | E289 | E289-L317 HydrophobicContact CG-CD2 3.79Å |
| 318 | G | 74.2 | Confident | 75.1 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | trans | -74.2 | 167.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P287 G288 F323 | P287-G318 WeakPolarHBondContact CB-O 3.37Å; P287-G318 WeakPolarHBondContact CG-O 3.48Å; G288-G318 WeakPolarHBondContact O-CA 3.42Å; G288-G318 PolarHBondContact O-N 2.9Å; G318-F323 VanDerWaalsContact CA-CD1 3.45Å | ||
| 319 | S | 69.1 | Low | 77.1 | Confident | 85 Ų | 85 | 48.5 Ų | 48.5 | 59% | 0.594 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -102.8 | 0.8 | 173.9 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 320 | Q | 69.7 | Low | 78.9 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -148.3 | 153.1 | -164.1 | -84 | 148.3 | 2.1 | 0 | 0 | 111 | G288 F323 S364 G366 N367 | G288-Q320 PolarHBondContact N-O 3.19Å; Q320-F323 WeakPolarHBondContact O-CB 3.37Å; Q320-S364 PolarHBondContact OE1-OG 3.23Å; Q320-G366 VanDerWaalsContact CD-C 3.47Å; Q320-G366 VanDerWaalsContact OE1-CA 3.24Å; Q320-N367 WeakPolarHBondContact CG-OD1 3.1Å; Q320-N367 VanDerWaalsContact NE2-CG 3.28Å; Q320-N367 PolarHBondContact NE2-OD1 3.16Å |
| 321 | V | 64.2 | Low | 79.9 | Confident | 83 Ų | 83 | 40.8 Ų | 40.8 | 50% | 0.503 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 145.9 | 163.5 | -162 | 0 | 0 | 0 | 0 | 108.7 | F323 | V321-F323 PolarHBondContact O-N 2.93Š|
| 322 | Q | 68.3 | Low | 79.9 | Confident | 78 Ų | 78 | 40.7 Ų | 40.7 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 17.6 | -177 | -48.6 | -177.3 | -41 | 0 | 0 | 115.2 | F283 Q325 L365 | F283-Q322 WeakPolarHBondContact O-CA 3.1Å; F283-Q322 PolarHBondContact O-N 3.06Å; Q322-Q325 HydrophobicContact CB-CG 4.5Å; Q322-L365 HydrophobicContact CB-CD1 4.24Å |
| 323 | F | 80.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 139.7 | 158.4 | 175.5 | -98.1 | 0 | 0 | 0 | 109.1 | F283 G288 V290 I316 G318 Q320 V321 V362 K374 F376 | F283-F323 WeakPolarHBondContact CA-O 3.49Å; G288-F323 VanDerWaalsContact O-CD1 3.25Å; G288-F323 WeakPolarHBondContact O-CD1 3.41Å; V290-F323 HydrophobicContact CG2-CE1 3.94Å; I316-F323 HydrophobicContact CG2-CE1 4.29Å; I316-F323 HydrophobicContact CG2-CZ 4.05Å; G318-F323 VanDerWaalsContact CA-CD1 3.45Å; Q320-F323 WeakPolarHBondContact O-CB 3.37Å; V321-F323 PolarHBondContact O-N 2.93Å; F323-V362 HydrophobicContact CD1-CG1 4.4Å; F323-V362 HydrophobicContact CD2-CG1 4.36Å; F323-V362 HydrophobicContact CE1-CG1 3.93Å; F323-V362 HydrophobicContact CE2-CB 4.46Å; F323-V362 HydrophobicContact CE2-CG1 3.83Å; F323-V362 HydrophobicContact CZ-CB 4.26Å; F323-V362 HydrophobicContact CZ-CG1 3.62Å; F323-K374 HydrophobicContact CE2-CD 4.31Å; F323-F376 HydrophobicContact CE2-CE2 4.08Å; F323-F376 HydrophobicContact CE2-CZ 4.06Å; F323-F376 AromaticContact CZ-CE2 3.69Å; F323-F376 HydrophobicContact CZ-CE2 3.69Å; F323-F376 AromaticContact CZ-CZ 3.77Å; F323-F376 HydrophobicContact CZ-CZ 3.77Å |
| 324 | S | 85.2 | Confident | 78 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77 | 30.6 | 179.6 | 80.2 | 0 | 0 | 0 | 0 | 119 | S281 E289 Q326 S363 | S281-S324 WeakPolarHBondContact CB-O 3.39Å; E289-S324 PolarHBondContact O-OG 3.3Å; E289-S324 VanDerWaalsContact O-OG 3.05Å; S324-Q326 PolarHBondContact O-N 2.94Å; S324-S363 VanDerWaalsContact CA-O 3.29Å; S324-S363 WeakPolarHBondContact CA-O 3.24Å; S324-S363 PolarHBondContact N-O 3.41Å |
| 325 | Q | 85.5 | Confident | 76.2 | Confident | 34 Ų | 34 | 44.6 Ų | 44.6 | 16% | 0.159 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | -40.7 | 174.6 | -71.1 | -169.2 | -23.6 | 0 | 0 | 113.5 | S250 F283 Q322 L365 | S250-Q325 WeakPolarHBondContact CB-O 3.39Å; F283-Q325 HydrophobicContact CD2-CG 4.4Å; Q322-Q325 HydrophobicContact CB-CG 4.5Å; Q325-L365 HydrophobicContact CG-CD1 4.27Å |
| 326 | Q | 91.8 | Very high | 74.2 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.4 | 174.3 | -171.4 | 71.1 | -9.4 | 0 | 0 | 110.1 | S250 S324 S363 V412 | S250-Q326 VanDerWaalsContact OG-CD 3.29Å; S250-Q326 PolarHBondContact OG-OE1 3.21Å; S324-Q326 PolarHBondContact O-N 2.94Å; Q326-S363 WeakPolarHBondContact CB-OG 3.25Å; Q326-S363 PolarHBondContact N-OG 3.02Å; Q326-S363 PolarHBondContact O-N 3.38Å; Q326-V412 HydrophobicContact CB-CG2 4.18Å; Q326-V412 HydrophobicContact CG-CB 3.78Å; Q326-V412 HydrophobicContact CG-CG2 3.97Å |
| 327 | V | 93.7 | Very high | 72.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.2 | 176.2 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | S250 L279 V290 I361 V362 | S250-V327 WeakPolarHBondContact O-CG2 3.35Å; S250-V327 PolarHBondContact OG-N 3Å; L279-V327 HydrophobicContact CD2-CB 3.85Å; L279-V327 HydrophobicContact CD2-CG2 4.28Å; L279-V327 HydrophobicContact CG-CB 3.98Å; L279-V327 HydrophobicContact CG-CG2 4.05Å; V290-V327 HydrophobicContact CG1-CG1 4.29Å; V290-V327 HydrophobicContact CG2-CG1 3.9Å; V327-I361 WeakPolarHBondContact CA-O 3.5Å; V327-V362 HydrophobicContact CG1-CG1 4.24Å; V327-V362 HydrophobicContact CG1-CG2 4.34Å |
| 328 | R | 94.3 | Very high | 70 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 151.5 | 179.9 | -74.6 | -66 | 176.9 | -107.4 | 16.9 | 112.1 | F251 D252 L279 I361 V412 E413 T414 | F251-R328 PolarHBondContact O-NH1 3.1Å; D252-R328 VanDerWaalsContact OD2-CD 3.23Å; D252-R328 WeakPolarHBondContact OD2-CD 3.46Å; L279-R328 WeakPolarHBondContact CD2-O 3.49Å; R328-I361 HydrophobicContact CB-CB 4.39Å; R328-I361 PolarHBondContact N-O 3.19Å; R328-I361 WeakPolarHBondContact O-CB 3.33Å; R328-I361 PolarHBondContact O-N 2.91Å; R328-V412 HydrophobicContact CG-CB 4.39Å; R328-V412 HydrophobicContact CG-CG1 4.33Å; R328-V412 VanDerWaalsContact CG-O 3.26Å; R328-V412 WeakPolarHBondContact CG-O 3.26Å; R328-V412 PolarHBondContact NE-O 2.85Å; R328-E413 WeakPolarHBondContact CD-OE1 3.27Å; R328-E413 IonicContact NE-OE1 3.2Å; R328-E413 PolarHBondContact NE-OE1 3Å; R328-E413 IonicContact NE-OE2 2.95Å; R328-E413 IonicContact NH2-OE2 3.6Å; R328-T414 HydrophobicContact CB-CG2 4.28Å |
| 329 | W | 91.8 | Very high | 68.1 | Low | 6 Ų | 6 | 62 Ų | 62 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 150.5 | 167.2 | -73 | 113.8 | 0 | 0 | 0 | 111.4 | D252 Q254 R277 L279 I292 A360 T414 | D252-W329 PolarHBondContact O-NE1 3.18Å; D252-W329 PolarHBondContact OD2-N 3.44Å; Q254-W329 HydrophobicContact CB-CD2 4.4Å; Q254-W329 HydrophobicContact CB-CG 4.02Å; R277-W329 HydrophobicContact CB-CZ2 4.37Å; L279-W329 HydrophobicContact CB-CD2 4.4Å; L279-W329 HydrophobicContact CB-CZ2 3.68Å; L279-W329 HydrophobicContact CD1-CH2 4.28Å; L279-W329 HydrophobicContact CD1-CZ2 4.19Å; L279-W329 HydrophobicContact CD2-CD2 4.17Å; L279-W329 HydrophobicContact CD2-CG 4.43Å; L279-W329 HydrophobicContact CG-CZ2 4.36Å; I292-W329 HydrophobicContact CD1-CH2 3.96Å; I292-W329 HydrophobicContact CG1-CH2 3.96Å; I292-W329 HydrophobicContact CG1-CZ2 4.34Å; I292-W329 HydrophobicContact CG2-CH2 4Å; I292-W329 HydrophobicContact CG2-CZ2 4.11Å; W329-A360 HydrophobicContact CE3-CB 4.37Å; W329-A360 HydrophobicContact CH2-CB 4.38Å; W329-A360 HydrophobicContact CZ3-CB 3.89Å; W329-T414 WeakPolarHBondContact O-CG2 3.37Å; W329-T414 PolarHBondContact O-OG1 3.04Å |
| 330 | T | 88.7 | Confident | 66.7 | Low | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 149 | 158.2 | 57.2 | 0 | 0 | 0 | 0 | 110.3 | Q254 E357 N358 L359 I361 Y431 | Q254-T330 PolarHBondContact NE2-O 2.97Å; T330-E357 PolarHBondContact OG1-O 3.17Å; T330-E357 VanDerWaalsContact OG1-O 3.06Å; T330-N358 WeakPolarHBondContact OG1-CA 3.45Å; T330-L359 HydrophobicContact CG2-CB 3.9Å; T330-L359 PolarHBondContact N-O 2.7Å; T330-L359 PolarHBondContact OG1-N 2.86Å; T330-I361 HydrophobicContact CG2-CD1 3.82Å; T330-I361 HydrophobicContact CG2-CG1 4.02Å; T330-Y431 HydrophobicContact CG2-CD1 4.5Å; T330-Y431 HydrophobicContact CG2-CD2 4.15Å; T330-Y431 HydrophobicContact CG2-CE1 3.96Å; T330-Y431 HydrophobicContact CG2-CE2 3.58Å; T330-Y431 VanDerWaalsContact CG2-CZ 3.47Å |
| 331 | P | 80.4 | Confident | 65.1 | Low | 18 Ų | 18 | 69.3 Ų | 69.3 | 12% | 0.117 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 146.3 | 175.8 | -22 | 34.5 | 0 | 0 | 0 | 112.1 | S333 N416 | P331-S333 PolarHBondContact O-N 3.05Å; P331-N416 WeakPolarHBondContact CB-OD1 3.21Å |
| 332 | L | 68.4 | Low | 63.5 | Low | 64 Ų | 64 | 68.5 Ų | 68.5 | 34% | 0.335 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 123.5 | 175.8 | -84.2 | 138.3 | 0 | 0 | 0 | 111.1 | Q254 Q255 K334 N358 | Q254-L332 HydrophobicContact CG-CD1 3.82Å; Q254-L332 HydrophobicContact CG-CG 4.37Å; Q255-L332 WeakPolarHBondContact O-CD1 3.45Å; L332-K334 PolarHBondContact O-N 3.29Å; L332-N358 WeakPolarHBondContact CD2-ND2 3.46Å |
| 333 | S | 58.9 | Low | 61.9 | Low | 23 Ų | 23 | 73.7 Ų | 73.7 | 16% | 0.161 | 35% | 0.353 | C | S | . | . | trans | -68 | 99.7 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | P331 S335 | P331-S333 PolarHBondContact O-N 3.05Å; S333-S335 PolarHBondContact O-N 2.95Å; S333-S335 PolarHBondContact OG-OG 2.94Å | ||
| 334 | K | 51.5 | Low | 59.6 | Low | 197 Ų | 197 | 79.2 Ų | 79.2 | 86% | 0.857 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.8 | 176 | -69.9 | -179.4 | 179.1 | 172.9 | 0 | 113.4 | L332 | L332-K334 PolarHBondContact O-N 3.29Š|
| 335 | S | 41.9 | Very low | 57 | Low | 46 Ų | 46 | 86.2 Ų | 86.2 | 32% | 0.322 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -9.6 | -174 | 62.4 | 0 | 0 | 0 | 0 | 115.1 | S333 K337 H338 | S333-S335 PolarHBondContact O-N 2.95Å; S333-S335 PolarHBondContact OG-OG 2.94Å; S335-K337 PolarHBondContact O-N 3.26Å; S335-H338 PolarHBondContact O-N 2.95Å |
| 336 | W | 38.6 | Very low | 54.7 | Low | 102 Ų | 102 | 92.5 Ų | 92.5 | 39% | 0.386 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.2 | -29.8 | -169.8 | -154.7 | 9.2 | 0 | 0 | 0 | 113.4 | H338 Y339 L340 | W336-H338 VanDerWaalsContact C-N 3.26Å; W336-H338 PolarHBondContact O-N 2.83Å; W336-Y339 PolarHBondContact O-N 2.87Å; W336-L340 HydrophobicContact CD2-CD1 4.43Å; W336-L340 HydrophobicContact CG-CD1 4.26Å; W336-L340 PolarHBondContact O-N 2.81Å |
| 337 | K | 37 | Very low | 52.1 | Low | 164 Ų | 164 | 95.3 Ų | 95.3 | 71% | 0.713 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.5 | -24.1 | 174.9 | -72.7 | -171.9 | 175.5 | -176.2 | 0 | 114.9 | S335 | S335-K337 PolarHBondContact O-N 3.26Å |
| 338 | H | 35.5 | Very low | 49.4 | Very low | 164 Ų | 164 | 100.5 Ų | 100.5 | 76% | 0.759 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -87.8 | -26.8 | 177.6 | -84.3 | -65.7 | 0 | 0 | 0 | 113.3 | S335 W336 | S335-H338 PolarHBondContact O-N 2.95Å; W336-H338 VanDerWaalsContact C-N 3.26Å; W336-H338 PolarHBondContact O-N 2.83Å |
| 339 | Y | 36 | Very low | 46.5 | Very low | 140 Ų | 140 | 105.9 Ų | 105.9 | 55% | 0.549 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -80.2 | -27.2 | -179.6 | -82.2 | -84.6 | 0 | 0 | 0 | 113.7 | W336 | W336-Y339 PolarHBondContact O-N 2.87Å |
| 340 | L | 39.1 | Very low | 43.8 | Very low | 123 Ų | 123 | 109 Ų | 109 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -11.5 | 179.6 | -81.5 | 157.2 | 0 | 0 | 0 | 114.5 | W336 | W336-L340 HydrophobicContact CD2-CD1 4.43Å; W336-L340 HydrophobicContact CG-CD1 4.26Å; W336-L340 PolarHBondContact O-N 2.81Å |
| 341 | N | 36.1 | Very low | 41.4 | Very low | 146 Ų | 146 | 110.2 Ų | 110.2 | 78% | 0.781 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 16.8 | -177.1 | -74.5 | 2.3 | 0 | 0 | 0 | 113.4 | ||
| 342 | S | 30.3 | Very low | 39.9 | Very low | 65 Ų | 65 | 111.4 Ų | 111.4 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | trans | -104.6 | 127 | 172.1 | 172.5 | 0 | 0 | 0 | 0 | 109.1 | D344 | S342-D344 PolarHBondContact O-N 3.02Š| ||
| 343 | E | 34.1 | Very low | 39 | Very low | 187 Ų | 187 | 111.3 Ų | 111.3 | 87% | 0.874 | 59% | 0.589 | S | S | * | * | trans | -72.9 | 8.7 | -175.6 | -63.1 | -174.6 | 135.2 | 0 | 0 | 114.4 | N345 | E343-N345 PolarHBondContact O-N 3.22Š| ||
| 344 | D | 32.9 | Very low | 38.8 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 63% | 0.631 | 59% | 0.59 | S | S | * | * | trans | -77.4 | 55 | 178.9 | -78.1 | -33.8 | 0 | 0 | 0 | 113.3 | S342 N346 S347 | S342-D344 PolarHBondContact O-N 3.02Å; D344-N346 PolarHBondContact O-N 2.85Å; D344-S347 PolarHBondContact O-N 3.44Å; D344-S347 PolarHBondContact O-OG 3.29Å | ||
| 345 | N | 31.3 | Very low | 38.8 | Very low | 147 Ų | 147 | 103.5 Ų | 103.5 | 79% | 0.786 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -0.3 | -176.2 | -84.9 | -41.7 | 0 | 0 | 0 | 116.3 | E343 | E343-N345 PolarHBondContact O-N 3.22Š|
| 346 | N | 36.3 | Very low | 39.4 | Very low | 166 Ų | 166 | 103.5 Ų | 103.5 | 89% | 0.888 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -0.9 | -174.3 | -74.1 | -25.2 | 0 | 0 | 0 | 115.2 | D344 | D344-N346 PolarHBondContact O-N 2.85Š|
| 347 | S | 37.5 | Very low | 40.4 | Very low | 86 Ų | 86 | 100.7 Ų | 100.7 | 60% | 0.601 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -104 | -19.4 | -174.3 | 66.2 | 0 | 0 | 0 | 0 | 115.5 | D344 L349 | D344-S347 PolarHBondContact O-N 3.44Å; D344-S347 PolarHBondContact O-OG 3.29Å; S347-L349 PolarHBondContact O-N 2.95Å |
| 348 | I | 36.6 | Very low | 42.1 | Very low | 109 Ų | 109 | 94.5 Ų | 94.5 | 56% | 0.559 | 51% | 0.512 | S | S | * | . | trans | -87.9 | 77.9 | -172.3 | -50.7 | -179.9 | 0 | 0 | 0 | 110.7 | G350 | I348-G350 VanDerWaalsContact C-N 3.3Å; I348-G350 PolarHBondContact O-N 2.71Å | ||
| 349 | L | 33.5 | Very low | 44.4 | Very low | 152 Ų | 152 | 86.7 Ų | 86.7 | 80% | 0.796 | 48% | 0.476 | S | S | * | . | trans | -75.4 | 72 | -176.5 | -122.5 | 156.1 | 0 | 0 | 0 | 112.7 | S347 G351 | S347-L349 PolarHBondContact O-N 2.95Å; L349-G351 PolarHBondContact O-N 3.11Å | ||
| 350 | G | 34.6 | Very low | 47 | Very low | 71 Ų | 71 | 80 Ų | 80 | 73% | 0.732 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 59.3 | -14.2 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | I348 | I348-G350 VanDerWaalsContact C-N 3.3Å; I348-G350 PolarHBondContact O-N 2.71Å |
| 351 | G | 39.7 | Very low | 49.4 | Very low | 27 Ų | 27 | 74.2 Ų | 74.2 | 28% | 0.278 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -124.8 | 8.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115 | L349 W354 K460 | L349-G351 PolarHBondContact O-N 3.11Å; G351-W354 VanDerWaalsContact O-CD1 3.3Å; G351-W354 PolarHBondContact O-NE1 3.06Å; G351-K460 VanDerWaalsContact O-CE 3.31Å; G351-K460 WeakPolarHBondContact O-CE 3.08Å |
| 352 | D | 49 | Very low | 52.1 | Low | 43 Ų | 43 | 67.2 Ų | 67.2 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -102 | -13.8 | 175.6 | -63 | -62 | 0 | 0 | 0 | 113.1 | W354 M355 K460 | D352-W354 PolarHBondContact O-N 2.74Å; D352-M355 HydrophobicContact CB-CE 3.9Å; D352-M355 WeakPolarHBondContact O-CB 3.41Å; D352-M355 PolarHBondContact O-N 3.07Å; D352-M355 VanDerWaalsContact O-N 3.09Å; D352-M355 WeakPolarHBondContact OD1-CE 3.46Å; D352-K460 WeakPolarHBondContact OD1-CD 3.27Å; D352-K460 WeakPolarHBondContact OD1-CE 3.28Å; D352-K460 IonicContact OD1-NZ 3.57Å; D352-K460 PolarHBondContact OD1-NZ 2.98Å; D352-K460 IonicContact OD2-NZ 3.3Å; D352-K460 PolarHBondContact OD2-NZ 3.33Å |
| 353 | V | 48.6 | Very low | 54.9 | Low | 62 Ų | 62 | 64.3 Ų | 64.3 | 38% | 0.376 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -58.9 | -46.2 | -172.7 | -166 | 0 | 0 | 0 | 0 | 111.8 | M355 H356 E357 | V353-M355 PolarHBondContact O-N 3.15Å; V353-H356 PolarHBondContact O-N 3.16Å; V353-E357 HydrophobicContact CG1-CG 4.18Å; V353-E357 WeakPolarHBondContact CG1-OE1 3.14Å; V353-E357 WeakPolarHBondContact O-CG 3.27Å; V353-E357 PolarHBondContact O-N 2.83Å |
| 354 | W | 54.5 | Low | 57.3 | Low | 47 Ų | 47 | 55.6 Ų | 55.6 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -60.3 | -19 | 179.7 | 71 | -85.5 | 0 | 0 | 0 | 114.3 | G351 D352 H356 E357 L359 Y389 T429 P458 | G351-W354 VanDerWaalsContact O-CD1 3.3Å; G351-W354 PolarHBondContact O-NE1 3.06Å; D352-W354 PolarHBondContact O-N 2.74Å; W354-H356 PolarHBondContact O-N 2.7Å; W354-E357 PolarHBondContact O-N 2.97Å; W354-L359 HydrophobicContact CE3-CD1 4.36Å; W354-Y389 AromaticContact CE3-CD1 3.9Å; W354-Y389 HydrophobicContact CE3-CD1 3.9Å; W354-Y389 AromaticContact CE3-CE1 3.95Å; W354-Y389 HydrophobicContact CE3-CE1 3.95Å; W354-Y389 HydrophobicContact CH2-CD1 4.47Å; W354-Y389 AromaticContact CZ3-CD1 3.57Å; W354-Y389 HydrophobicContact CZ3-CD1 3.57Å; W354-Y389 AromaticContact CZ3-CE1 3.63Å; W354-Y389 HydrophobicContact CZ3-CE1 3.63Å; W354-T429 HydrophobicContact CH2-CG2 4.17Å; W354-T429 HydrophobicContact CZ3-CG2 3.78Å; W354-P458 HydrophobicContact CH2-CB 4.23Å; W354-P458 HydrophobicContact CZ3-CB 4.07Å |
| 355 | M | 51.5 | Low | 59.2 | Low | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -74 | -11.8 | 174.8 | -68.9 | -172.1 | -81.3 | 0 | 0 | 113.1 | D352 V353 T429 K460 | D352-M355 HydrophobicContact CB-CE 3.9Å; D352-M355 WeakPolarHBondContact O-CB 3.41Å; D352-M355 PolarHBondContact O-N 3.07Å; D352-M355 VanDerWaalsContact O-N 3.09Å; D352-M355 WeakPolarHBondContact OD1-CE 3.46Å; V353-M355 PolarHBondContact O-N 3.15Å; M355-T429 HydrophobicContact CB-CG2 4.18Å; M355-T429 HydrophobicContact CG-CG2 3.94Å; M355-K460 HydrophobicContact CE-CB 4.36Å; M355-K460 HydrophobicContact CE-CD 4.22Å; M355-K460 HydrophobicContact CE-CG 4.37Å |
| 356 | H | 53.8 | Low | 60.7 | Low | 47 Ų | 47 | 44.4 Ų | 44.4 | 22% | 0.218 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -121 | 5.3 | 174.8 | -57.1 | -47.9 | 0 | 0 | 0 | 113.2 | V353 W354 | V353-H356 PolarHBondContact O-N 3.16Å; W354-H356 PolarHBondContact O-N 2.7Å |
| 357 | E | 60.2 | Low | 61.9 | Low | 42 Ų | 42 | 41.1 Ų | 41.1 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -84.4 | 152.5 | 178.2 | -76.8 | 176.1 | 171.1 | 0 | 0 | 113.4 | T330 V353 W354 L359 N377 | T330-E357 PolarHBondContact OG1-O 3.17Å; T330-E357 VanDerWaalsContact OG1-O 3.06Å; V353-E357 HydrophobicContact CG1-CG 4.18Å; V353-E357 WeakPolarHBondContact CG1-OE1 3.14Å; V353-E357 WeakPolarHBondContact O-CG 3.27Å; V353-E357 PolarHBondContact O-N 2.83Å; W354-E357 PolarHBondContact O-N 2.97Å; E357-L359 HydrophobicContact CB-CD2 4.05Å; E357-L359 HydrophobicContact CB-CG 4.46Å; E357-L359 PolarHBondContact O-N 3.21Å; E357-L359 VanDerWaalsContact O-N 3.15Å; E357-N377 PolarHBondContact OE2-ND2 3.08Å |
| 358 | N | 73.2 | Confident | 62.9 | Low | 34 Ų | 34 | 46.7 Ų | 46.7 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | trans | -79.9 | 91.4 | 172.9 | -64.6 | -14.8 | 0 | 0 | 0 | 109.6 | T330 L332 S378 | T330-N358 WeakPolarHBondContact OG1-CA 3.45Å; L332-N358 WeakPolarHBondContact CD2-ND2 3.46Å; N358-S378 PolarHBondContact O-OG 3.29Å | ||
| 359 | L | 84.5 | Confident | 64.1 | Low | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 145.6 | -179.4 | -53.8 | 178.7 | 0 | 0 | 0 | 111.3 | T330 W354 E357 A375 F376 N377 A388 Y389 | T330-L359 HydrophobicContact CG2-CB 3.9Å; T330-L359 PolarHBondContact N-O 2.7Å; T330-L359 PolarHBondContact OG1-N 2.86Å; W354-L359 HydrophobicContact CE3-CD1 4.36Å; E357-L359 HydrophobicContact CB-CD2 4.05Å; E357-L359 HydrophobicContact CB-CG 4.46Å; E357-L359 PolarHBondContact O-N 3.21Å; E357-L359 VanDerWaalsContact O-N 3.15Å; L359-A375 HydrophobicContact CD1-CB 4.24Å; L359-F376 CarbonylContact C-O 3.54Å; L359-F376 VanDerWaalsContact CA-O 3.26Å; L359-F376 WeakPolarHBondContact CA-O 3.24Å; L359-N377 HydrophobicContact CD2-CB 4.22Å; L359-A388 HydrophobicContact CD1-CB 3.83Å; L359-A388 HydrophobicContact CD2-CB 4.18Å; L359-Y389 HydrophobicContact CD1-CD1 4.45Å; L359-Y389 HydrophobicContact CD1-CE1 3.67Å |
| 360 | A | 88.8 | Confident | 65.7 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 115.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L279 I292 I316 W329 A375 F376 | L279-A360 HydrophobicContact CD1-CB 3.69Å; L279-A360 HydrophobicContact CD2-CB 4.04Å; I292-A360 HydrophobicContact CD1-CB 4.42Å; I316-A360 HydrophobicContact CD1-CB 4.09Å; W329-A360 HydrophobicContact CE3-CB 4.37Å; W329-A360 HydrophobicContact CH2-CB 4.38Å; W329-A360 HydrophobicContact CZ3-CB 3.89Å; A360-A375 CarbonylContact O-C 3.49Å; A360-A375 WeakPolarHBondContact O-CA 3.46Å; A360-F376 PolarHBondContact N-O 2.69Å; A360-F376 PolarHBondContact O-N 3.08Å |
| 361 | I | 91.3 | Very high | 67.6 | Low | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 130 | 175.5 | -51.6 | -54.2 | 0 | 0 | 0 | 108.9 | V327 R328 T330 I373 A375 Y389 V412 T414 I433 | V327-I361 WeakPolarHBondContact CA-O 3.5Å; R328-I361 HydrophobicContact CB-CB 4.39Å; R328-I361 PolarHBondContact N-O 3.19Å; R328-I361 WeakPolarHBondContact O-CB 3.33Å; R328-I361 PolarHBondContact O-N 2.91Å; T330-I361 HydrophobicContact CG2-CD1 3.82Å; T330-I361 HydrophobicContact CG2-CG1 4.02Å; I361-I373 HydrophobicContact CG2-CG2 3.39Å; I361-A375 HydrophobicContact CD1-CB 3.54Å; I361-Y389 WeakPolarHBondContact CD1-OH 3.47Å; I361-V412 HydrophobicContact CG2-CG1 4.04Å; I361-T414 HydrophobicContact CG1-CG2 4.42Å; I361-I433 HydrophobicContact CD1-CD1 3.77Å; I361-I433 HydrophobicContact CG1-CD1 4.17Å; I361-I433 HydrophobicContact CG2-CD1 4.27Å; I361-I433 HydrophobicContact CG2-CG2 4.48Å |
| 362 | V | 91.4 | Very high | 69.6 | Low | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 125.8 | -172.7 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | V290 F323 V327 I373 K374 F376 | V290-V362 HydrophobicContact CG2-CG1 3.79Å; V290-V362 HydrophobicContact CG2-CG2 3.99Å; F323-V362 HydrophobicContact CD1-CG1 4.4Å; F323-V362 HydrophobicContact CD2-CG1 4.36Å; F323-V362 HydrophobicContact CE1-CG1 3.93Å; F323-V362 HydrophobicContact CE2-CB 4.46Å; F323-V362 HydrophobicContact CE2-CG1 3.83Å; F323-V362 HydrophobicContact CZ-CB 4.26Å; F323-V362 HydrophobicContact CZ-CG1 3.62Å; V327-V362 HydrophobicContact CG1-CG1 4.24Å; V327-V362 HydrophobicContact CG1-CG2 4.34Å; V362-I373 WeakPolarHBondContact O-CA 3.29Å; V362-K374 PolarHBondContact N-O 2.96Å; V362-K374 PolarHBondContact O-N 2.94Å; V362-F376 HydrophobicContact CB-CD2 4.36Å; V362-F376 HydrophobicContact CB-CE2 4.07Å; V362-F376 HydrophobicContact CG2-CD2 3.79Å; V362-F376 HydrophobicContact CG2-CE2 3.95Å |
| 363 | S | 90.2 | Very high | 71.4 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 150.2 | 171.8 | 70 | 0 | 0 | 0 | 0 | 112.7 | S324 Q326 G409 | S324-S363 VanDerWaalsContact CA-O 3.29Å; S324-S363 WeakPolarHBondContact CA-O 3.24Å; S324-S363 PolarHBondContact N-O 3.41Å; Q326-S363 WeakPolarHBondContact CB-OG 3.25Å; Q326-S363 PolarHBondContact N-OG 3.02Å; Q326-S363 PolarHBondContact O-N 3.38Å; S363-G409 VanDerWaalsContact CB-O 3.28Å; S363-G409 WeakPolarHBondContact CB-O 3.2Å; S363-G409 PolarHBondContact OG-O 3.39Å |
| 364 | S | 83.2 | Confident | 73.2 | Confident | 5 Ų | 5 | 42 Ų | 42 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 140.6 | -178.4 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | Q320 G366 P371 N372 | Q320-S364 PolarHBondContact OE1-OG 3.23Å; S364-G366 VanDerWaalsContact C-N 3.29Å; S364-G366 PolarHBondContact O-N 2.89Å; S364-P371 CarbonylContact O-C 3.6Å; S364-P371 VanDerWaalsContact O-CA 3.26Å; S364-P371 WeakPolarHBondContact O-CA 3.25Å; S364-N372 PolarHBondContact N-O 3.07Å; S364-N372 PolarHBondContact O-N 3.26Å |
| 365 | L | 73.2 | Confident | 74.7 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | trans | -73.1 | -15.1 | 178.7 | -98.3 | 90.8 | 0 | 0 | 0 | 115.1 | Q322 Q325 Y369 E370 F405 | Q322-L365 HydrophobicContact CB-CD1 4.24Å; Q325-L365 HydrophobicContact CG-CD1 4.27Å; L365-Y369 HydrophobicContact CD2-CD1 4.07Å; L365-Y369 HydrophobicContact CD2-CE1 4.5Å; L365-Y369 CarbonylContact O-C 3.55Å; L365-E370 CarbonylContact O-C 3.58Å; L365-E370 PolarHBondContact O-N 2.65Å; L365-F405 HydrophobicContact CD1-CE2 4.46Å; L365-F405 HydrophobicContact CD2-CD2 4.07Å; L365-F405 HydrophobicContact CD2-CE2 3.87Å; L365-F405 HydrophobicContact CG-CE2 4.29Å | ||
| 366 | G | 64.2 | Low | 76.2 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 14% | 0.144 | 19% | 0.186 | C | C | . | . | trans | 76.4 | 178.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q320 S364 E370 | Q320-G366 VanDerWaalsContact CD-C 3.47Å; Q320-G366 VanDerWaalsContact OE1-CA 3.24Å; S364-G366 VanDerWaalsContact C-N 3.29Å; S364-G366 PolarHBondContact O-N 2.89Å; G366-E370 WeakPolarHBondContact CA-O 3.48Å | ||
| 367 | N | 59.5 | Low | 77.4 | Confident | 96 Ų | 96 | 39.4 Ų | 39.4 | 51% | 0.513 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -79.9 | 150.4 | 163.8 | -76 | -5.9 | 0 | 0 | 0 | 107.5 | Q320 Y369 E370 | Q320-N367 WeakPolarHBondContact CG-OD1 3.1Å; Q320-N367 VanDerWaalsContact NE2-CG 3.28Å; Q320-N367 PolarHBondContact NE2-OD1 3.16Å; N367-Y369 PolarHBondContact O-N 2.89Å; N367-Y369 VanDerWaalsContact O-N 3.1Å; N367-E370 PolarHBondContact O-N 3.15Å; N367-E370 VanDerWaalsContact O-N 3.1Å |
| 368 | Y | 59.6 | Low | 77.7 | Confident | 204 Ų | 204 | 38 Ų | 38 | 80% | 0.8 | 18% | 0.179 | S | C | * | . | G | 310 helix | trans | 55.2 | 26.5 | 177.2 | -50.3 | -75.1 | 0 | 0 | 0 | 115.2 | ||
| 369 | Y | 62.6 | Low | 77.2 | Confident | 153 Ų | 153 | 44.3 Ų | 44.3 | 60% | 0.6 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | 60.4 | 39.9 | -175.1 | -51 | -89.1 | 0 | 0 | 0 | 113.7 | L365 N367 P371 | L365-Y369 HydrophobicContact CD2-CD1 4.07Å; L365-Y369 HydrophobicContact CD2-CE1 4.5Å; L365-Y369 CarbonylContact O-C 3.55Å; N367-Y369 PolarHBondContact O-N 2.89Å; N367-Y369 VanDerWaalsContact O-N 3.1Å; Y369-P371 VanDerWaalsContact C-CD 3.42Å; Y369-P371 WeakPolarHBondContact O-CD 3.16Å |
| 370 | E | 65.8 | Low | 75.6 | Confident | 132 Ų | 132 | 45.6 Ų | 45.6 | 62% | 0.617 | 21% | 0.213 | S | C | * | . | trans | -93.1 | 82 | 166.9 | -67.5 | -165.5 | 157 | 0 | 0 | 112.2 | L365 G366 N367 N372 | L365-E370 CarbonylContact O-C 3.58Å; L365-E370 PolarHBondContact O-N 2.65Å; G366-E370 WeakPolarHBondContact CA-O 3.48Å; N367-E370 PolarHBondContact O-N 3.15Å; N367-E370 VanDerWaalsContact O-N 3.1Å; E370-N372 PolarHBondContact O-N 3.09Å; E370-N372 PolarHBondContact O-ND2 3.3Å | ||
| 371 | P | 75.2 | Confident | 73.6 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 17% | 0.169 | 25% | 0.249 | C | C | . | . | trans | -64.2 | 138.4 | -175.5 | 28 | -37.6 | 0 | 0 | 0 | 111.9 | S364 Y369 F408 | S364-P371 CarbonylContact O-C 3.6Å; S364-P371 VanDerWaalsContact O-CA 3.26Å; S364-P371 WeakPolarHBondContact O-CA 3.25Å; Y369-P371 VanDerWaalsContact C-CD 3.42Å; Y369-P371 WeakPolarHBondContact O-CD 3.16Å; P371-F408 HydrophobicContact CB-CB 4.17Å; P371-F408 HydrophobicContact CB-CD1 4.05Å; P371-F408 WeakPolarHBondContact CB-O 3.21Å; P371-F408 HydrophobicContact CG-CB 3.74Å; P371-F408 HydrophobicContact CG-CD1 4.15Å; P371-F408 HydrophobicContact CG-CG 4.3Å | ||
| 372 | N | 80.6 | Confident | 71.5 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 156 | -176 | 56.6 | 84.6 | 0 | 0 | 0 | 111.4 | S364 E370 K374 I391 T392 | S364-N372 PolarHBondContact N-O 3.07Å; S364-N372 PolarHBondContact O-N 3.26Å; E370-N372 PolarHBondContact O-N 3.09Å; E370-N372 PolarHBondContact O-ND2 3.3Å; N372-K374 VanDerWaalsContact OD1-CE 3.24Å; N372-K374 WeakPolarHBondContact OD1-CE 3.34Å; N372-I391 CarbonylContact C-O 3.52Å; N372-I391 VanDerWaalsContact CA-O 3.22Å; N372-I391 WeakPolarHBondContact CA-O 3.42Å; N372-I391 WeakPolarHBondContact CB-O 3.36Å; N372-T392 HydrophobicContact CB-CG2 3.94Å |
| 373 | I | 87.2 | Confident | 69.5 | Low | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.8 | 172.8 | -63.2 | -171.2 | 0 | 0 | 0 | 108.4 | I361 V362 S390 I391 F408 V412 I435 | I361-I373 HydrophobicContact CG2-CG2 3.39Å; V362-I373 WeakPolarHBondContact O-CA 3.29Å; I373-S390 CarbonylContact O-C 3.58Å; I373-S390 WeakPolarHBondContact O-CA 3.5Å; I373-I391 HydrophobicContact CB-CB 4.41Å; I373-I391 PolarHBondContact N-O 3.11Å; I373-I391 PolarHBondContact O-N 3.48Å; I373-F408 HydrophobicContact CG1-CE1 4.44Å; I373-V412 HydrophobicContact CD1-CG1 4.39Å; I373-V412 HydrophobicContact CD1-CG2 3.73Å; I373-I435 HydrophobicContact CD1-CB 4.23Å; I373-I435 HydrophobicContact CD1-CD1 3.59Å; I373-I435 HydrophobicContact CD1-CG1 3.55Å; I373-I435 HydrophobicContact CD1-CG2 3.77Å; I373-I435 HydrophobicContact CG1-CD1 4.5Å |
| 374 | K | 86.7 | Confident | 67.3 | Low | 38 Ų | 38 | 74 Ų | 74 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.5 | 179.6 | -66.7 | -179.9 | -175.6 | 175.9 | 0 | 109.5 | F323 V362 N372 F376 L387 | F323-K374 HydrophobicContact CE2-CD 4.31Å; V362-K374 PolarHBondContact N-O 2.96Å; V362-K374 PolarHBondContact O-N 2.94Å; N372-K374 VanDerWaalsContact OD1-CE 3.24Å; N372-K374 WeakPolarHBondContact OD1-CE 3.34Å; K374-F376 HydrophobicContact CB-CD2 4.3Å; K374-F376 HydrophobicContact CB-CE2 3.46Å; K374-F376 VanDerWaalsContact CB-CE2 3.46Å; K374-F376 HydrophobicContact CB-CZ 3.73Å; K374-F376 HydrophobicContact CD-CE2 4.45Å; K374-F376 HydrophobicContact CD-CZ 3.96Å; K374-F376 HydrophobicContact CG-CZ 4.49Å; K374-L387 HydrophobicContact CB-CD1 3.79Å; K374-L387 HydrophobicContact CD-CD1 4.25Å; K374-L387 HydrophobicContact CG-CD1 4.12Å |
| 375 | A | 86.9 | Confident | 65.7 | Low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L359 A360 I361 A388 Y389 | L359-A375 HydrophobicContact CD1-CB 4.24Å; A360-A375 CarbonylContact O-C 3.49Å; A360-A375 WeakPolarHBondContact O-CA 3.46Å; I361-A375 HydrophobicContact CD1-CB 3.54Å; A375-A388 HydrophobicContact CB-CB 4.48Å; A375-A388 PolarHBondContact O-N 3.06Å; A375-Y389 HydrophobicContact CB-CD1 3.9Å; A375-Y389 HydrophobicContact CB-CD2 3.78Å; A375-Y389 HydrophobicContact CB-CE1 3.52Å; A375-Y389 HydrophobicContact CB-CE2 3.37Å; A375-Y389 HydrophobicContact CB-CG 4.01Å; A375-Y389 PolarHBondContact N-O 2.94Å |
| 376 | F | 83.3 | Confident | 65.3 | Low | 17 Ų | 17 | 76.1 Ų | 76.1 | 8% | 0.075 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.4 | -176.3 | -61.2 | -88.5 | 0 | 0 | 0 | 112 | I316 F323 L359 A360 V362 K374 L386 L387 | I316-F376 HydrophobicContact CD1-CB 3.65Å; I316-F376 HydrophobicContact CD1-CD2 4.16Å; I316-F376 HydrophobicContact CD1-CG 3.96Å; I316-F376 HydrophobicContact CG1-CB 4.29Å; I316-F376 HydrophobicContact CG1-CG 4.38Å; I316-F376 HydrophobicContact CG2-CD1 3.67Å; I316-F376 HydrophobicContact CG2-CD2 3.88Å; I316-F376 HydrophobicContact CG2-CE1 3.62Å; I316-F376 HydrophobicContact CG2-CE2 3.83Å; I316-F376 HydrophobicContact CG2-CG 3.79Å; I316-F376 HydrophobicContact CG2-CZ 3.69Å; F323-F376 HydrophobicContact CE2-CE2 4.08Å; F323-F376 HydrophobicContact CE2-CZ 4.06Å; F323-F376 AromaticContact CZ-CE2 3.69Å; F323-F376 HydrophobicContact CZ-CE2 3.69Å; F323-F376 AromaticContact CZ-CZ 3.77Å; F323-F376 HydrophobicContact CZ-CZ 3.77Å; L359-F376 CarbonylContact C-O 3.54Å; L359-F376 VanDerWaalsContact CA-O 3.26Å; L359-F376 WeakPolarHBondContact CA-O 3.24Å; A360-F376 PolarHBondContact N-O 2.69Å; A360-F376 PolarHBondContact O-N 3.08Å; V362-F376 HydrophobicContact CB-CD2 4.36Å; V362-F376 HydrophobicContact CB-CE2 4.07Å; V362-F376 HydrophobicContact CG2-CD2 3.79Å; V362-F376 HydrophobicContact CG2-CE2 3.95Å; K374-F376 HydrophobicContact CB-CD2 4.3Å; K374-F376 HydrophobicContact CB-CE2 3.46Å; K374-F376 VanDerWaalsContact CB-CE2 3.46Å; K374-F376 HydrophobicContact CB-CZ 3.73Å; K374-F376 HydrophobicContact CD-CE2 4.45Å; K374-F376 HydrophobicContact CD-CZ 3.96Å; K374-F376 HydrophobicContact CG-CZ 4.49Å; F376-L386 CarbonylContact C-O 3.59Å; F376-L386 WeakPolarHBondContact CA-O 3.45Å; F376-L386 HydrophobicContact CD1-CB 4.2Å; F376-L387 HydrophobicContact CD1-CB 4.32Å; F376-L387 HydrophobicContact CD1-CD1 4.07Å; F376-L387 HydrophobicContact CE1-CB 4.25Å; F376-L387 HydrophobicContact CE1-CD1 3.69Å; F376-L387 HydrophobicContact CZ-CD1 3.94Å |
| 377 | N | 77.3 | Confident | 65.8 | Low | 31 Ų | 31 | 79.6 Ų | 79.6 | 17% | 0.166 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 136.8 | 172.5 | -164.5 | -31 | 0 | 0 | 0 | 109.8 | E357 L359 K379 L386 | E357-N377 PolarHBondContact OE2-ND2 3.08Å; L359-N377 HydrophobicContact CD2-CB 4.22Å; N377-K379 PolarHBondContact OD1-N 3.24Å; N377-L386 PolarHBondContact N-O 3.29Å; N377-L386 VanDerWaalsContact O-CD2 3.23Å; N377-L386 WeakPolarHBondContact O-CD2 3.47Å |
| 378 | S | 67 | Low | 66.5 | Low | 13 Ų | 13 | 76.9 Ų | 76.9 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -86.1 | -2.8 | 179.3 | 59.3 | 0 | 0 | 0 | 0 | 114.8 | R277 N358 | R277-S378 VanDerWaalsContact NH1-CB 3.28Å; R277-S378 PolarHBondContact NH1-OG 3.27Å; R277-S378 PolarHBondContact NH2-OG 3.03Å; R277-S378 VanDerWaalsContact NH2-OG 3.12Å; N358-S378 PolarHBondContact O-OG 3.29Å |
| 379 | K | 62.5 | Low | 67.3 | Low | 166 Ų | 166 | 67.7 Ų | 67.7 | 72% | 0.722 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -108.8 | -8.7 | -179.9 | -67.5 | -169.3 | 175.3 | -169.6 | 0 | 115.8 | N377 | N377-K379 PolarHBondContact OD1-N 3.24Š|
| 380 | S | 51.8 | Low | 68.1 | Low | 26 Ų | 26 | 61.2 Ų | 61.2 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | trans | -79.5 | 129.4 | 179.7 | 179 | 0 | 0 | 0 | 0 | 111.7 | E382 L386 | S380-E382 PolarHBondContact OG-N 3.09Å; S380-E382 VanDerWaalsContact OG-N 3.14Å; S380-E382 PolarHBondContact OG-O 3.25Å; S380-E382 VanDerWaalsContact OG-O 3.08Å; S380-L386 WeakPolarHBondContact O-CD2 3.48Å | ||
| 381 | T | 45.7 | Very low | 68.7 | Low | 124 Ų | 124 | 55.3 Ų | 55.3 | 76% | 0.761 | 30% | 0.299 | S | S | * | . | trans | -90.6 | -9.4 | 168.3 | 48.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 382 | E | 48.5 | Very low | 68.6 | Low | 142 Ų | 142 | 55.1 Ų | 55.1 | 66% | 0.664 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -98.7 | 134.3 | -176.4 | -66 | -173.5 | 161.5 | 0 | 0 | 111.8 | S380 E384 G385 L386 | S380-E382 PolarHBondContact OG-N 3.09Å; S380-E382 VanDerWaalsContact OG-N 3.14Å; S380-E382 PolarHBondContact OG-O 3.25Å; S380-E382 VanDerWaalsContact OG-O 3.08Å; E382-E384 VanDerWaalsContact C-N 3.27Å; E382-E384 PolarHBondContact O-N 3.41Å; E382-G385 PolarHBondContact O-N 3.37Å; E382-L386 WeakPolarHBondContact O-CG 3.38Å; E382-L386 PolarHBondContact O-N 3.25Å |
| 383 | L | 49.3 | Very low | 67.9 | Low | 140 Ų | 140 | 56.8 Ų | 56.8 | 73% | 0.733 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -32.9 | -174.8 | -110.2 | 137.9 | 0 | 0 | 0 | 113.7 | ||
| 384 | E | 43 | Very low | 66.4 | Low | 196 Ų | 196 | 61.6 Ų | 61.6 | 92% | 0.916 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -23.7 | 179.1 | -61.3 | -167.1 | 152.5 | 0 | 0 | 113.3 | E382 L386 | E382-E384 VanDerWaalsContact C-N 3.27Å; E382-E384 PolarHBondContact O-N 3.41Å; E384-L386 VanDerWaalsContact C-N 3.32Å; E384-L386 PolarHBondContact O-N 3.01Å |
| 385 | G | 49.4 | Very low | 64.8 | Low | 44 Ų | 44 | 65 Ų | 65 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | E382 | E382-G385 PolarHBondContact O-N 3.37Š|
| 386 | L | 66 | Low | 63 | Low | 20 Ų | 20 | 71.7 Ų | 71.7 | 11% | 0.105 | 37% | 0.372 | C | S | . | . | trans | -80.9 | -32.6 | -172.1 | -90.2 | 163.8 | 0 | 0 | 0 | 114.7 | F376 N377 S380 E382 E384 | F376-L386 CarbonylContact C-O 3.59Å; F376-L386 WeakPolarHBondContact CA-O 3.45Å; F376-L386 HydrophobicContact CD1-CB 4.2Å; N377-L386 PolarHBondContact N-O 3.29Å; N377-L386 VanDerWaalsContact O-CD2 3.23Å; N377-L386 WeakPolarHBondContact O-CD2 3.47Å; S380-L386 WeakPolarHBondContact O-CD2 3.48Å; E382-L386 WeakPolarHBondContact O-CG 3.38Å; E382-L386 PolarHBondContact O-N 3.25Å; E384-L386 VanDerWaalsContact C-N 3.32Å; E384-L386 PolarHBondContact O-N 3.01Å | ||
| 387 | L | 75 | Confident | 60.8 | Low | 88 Ų | 88 | 75.2 Ų | 75.2 | 46% | 0.461 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 116.2 | -172.5 | -176 | 72.7 | 0 | 0 | 0 | 111.9 | K374 F376 | K374-L387 HydrophobicContact CB-CD1 3.79Å; K374-L387 HydrophobicContact CD-CD1 4.25Å; K374-L387 HydrophobicContact CG-CD1 4.12Å; F376-L387 HydrophobicContact CD1-CB 4.32Å; F376-L387 HydrophobicContact CD1-CD1 4.07Å; F376-L387 HydrophobicContact CE1-CB 4.25Å; F376-L387 HydrophobicContact CE1-CD1 3.69Å; F376-L387 HydrophobicContact CZ-CD1 3.94Å |
| 388 | A | 73.4 | Confident | 59.1 | Low | 39 Ų | 39 | 81.6 Ų | 81.6 | 32% | 0.322 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -48.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L359 A375 | L359-A388 HydrophobicContact CD1-CB 3.83Å; L359-A388 HydrophobicContact CD2-CB 4.18Å; A375-A388 HydrophobicContact CB-CB 4.48Å; A375-A388 PolarHBondContact O-N 3.06Å |
| 389 | Y | 77.6 | Confident | 57.7 | Low | 10 Ų | 10 | 84.5 Ų | 84.5 | 4% | 0.039 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 168.8 | 175.5 | 56.2 | -96 | 0 | 0 | 0 | 112.1 | W354 L359 I361 A375 I391 Y431 I433 P458 | W354-Y389 AromaticContact CE3-CD1 3.9Å; W354-Y389 HydrophobicContact CE3-CD1 3.9Å; W354-Y389 AromaticContact CE3-CE1 3.95Å; W354-Y389 HydrophobicContact CE3-CE1 3.95Å; W354-Y389 HydrophobicContact CH2-CD1 4.47Å; W354-Y389 AromaticContact CZ3-CD1 3.57Å; W354-Y389 HydrophobicContact CZ3-CD1 3.57Å; W354-Y389 AromaticContact CZ3-CE1 3.63Å; W354-Y389 HydrophobicContact CZ3-CE1 3.63Å; L359-Y389 HydrophobicContact CD1-CD1 4.45Å; L359-Y389 HydrophobicContact CD1-CE1 3.67Å; I361-Y389 WeakPolarHBondContact CD1-OH 3.47Å; A375-Y389 HydrophobicContact CB-CD1 3.9Å; A375-Y389 HydrophobicContact CB-CD2 3.78Å; A375-Y389 HydrophobicContact CB-CE1 3.52Å; A375-Y389 HydrophobicContact CB-CE2 3.37Å; A375-Y389 HydrophobicContact CB-CG 4.01Å; A375-Y389 PolarHBondContact N-O 2.94Å; Y389-I391 HydrophobicContact CD2-CD1 4.39Å; Y389-I391 HydrophobicContact CD2-CG1 4.23Å; Y389-I391 HydrophobicContact CE2-CD1 4.1Å; Y389-I391 HydrophobicContact CE2-CG1 4.43Å; Y389-Y431 PolarHBondContact OH-OH 3.49Å; Y389-I433 HydrophobicContact CE2-CD1 4.11Å; Y389-I433 WeakPolarHBondContact OH-CD1 3.07Å; Y389-P458 HydrophobicContact CD1-CB 4.23Å; Y389-P458 HydrophobicContact CD2-CB 4.39Å; Y389-P458 HydrophobicContact CD2-CG 4.22Å; Y389-P458 HydrophobicContact CE1-CB 3.94Å; Y389-P458 HydrophobicContact CE1-CG 3.88Å; Y389-P458 HydrophobicContact CE2-CB 4.12Å; Y389-P458 HydrophobicContact CE2-CG 3.51Å; Y389-P458 HydrophobicContact CG-CB 4.46Å; Y389-P458 WeakPolarHBondContact OH-CG 3.25Å |
| 390 | S | 78.1 | Confident | 56.7 | Low | 18 Ų | 18 | 84.4 Ų | 84.4 | 13% | 0.126 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146.7 | 175.3 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | I373 T463 | I373-S390 CarbonylContact O-C 3.58Å; I373-S390 WeakPolarHBondContact O-CA 3.5Å; S390-T463 CarbonylContact O-C 3.34Å |
| 391 | I | 78 | Confident | 56 | Low | 7 Ų | 7 | 89.4 Ų | 89.4 | 4% | 0.036 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.2 | 178.3 | -58.3 | 169.7 | 0 | 0 | 0 | 107.3 | N372 I373 Y389 I433 I435 V456 L468 | N372-I391 CarbonylContact C-O 3.52Å; N372-I391 VanDerWaalsContact CA-O 3.22Å; N372-I391 WeakPolarHBondContact CA-O 3.42Å; N372-I391 WeakPolarHBondContact CB-O 3.36Å; I373-I391 HydrophobicContact CB-CB 4.41Å; I373-I391 PolarHBondContact N-O 3.11Å; I373-I391 PolarHBondContact O-N 3.48Å; Y389-I391 HydrophobicContact CD2-CD1 4.39Å; Y389-I391 HydrophobicContact CD2-CG1 4.23Å; Y389-I391 HydrophobicContact CE2-CD1 4.1Å; Y389-I391 HydrophobicContact CE2-CG1 4.43Å; I391-I433 HydrophobicContact CD1-CD1 4.24Å; I391-I435 HydrophobicContact CG2-CD1 4.45Å; I391-V456 HydrophobicContact CD1-CB 4.16Å; I391-V456 HydrophobicContact CD1-CG1 3.97Å; I391-V456 HydrophobicContact CD1-CG2 4.45Å; I391-V456 HydrophobicContact CG2-CG2 4.36Å; I391-L468 HydrophobicContact CG2-CD1 4.06Å |
| 392 | T | 72.9 | Confident | 55.8 | Low | 23 Ų | 23 | 86.7 Ų | 86.7 | 14% | 0.141 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 127.9 | -176.5 | 58.4 | 0 | 0 | 0 | 0 | 109.8 | N372 K394 H464 | N372-T392 HydrophobicContact CB-CG2 3.94Å; T392-K394 PolarHBondContact O-N 3.24Å; T392-K394 VanDerWaalsContact O-N 3.14Å; T392-H464 PolarHBondContact OG1-ND1 2.99Å |
| 393 | N | 66.2 | Low | 55.8 | Low | 51 Ų | 51 | 84.7 Ų | 84.7 | 27% | 0.273 | 48% | 0.479 | S | S | . | . | trans | -82.3 | 91.2 | 176 | -171.2 | -2.2 | 0 | 0 | 0 | 111.2 | N395 F408 Y454 | N393-N395 VanDerWaalsContact C-N 3.31Å; N393-N395 PolarHBondContact O-N 3.44Å; N393-F408 HydrophobicContact CB-CE2 4.19Å; N393-F408 HydrophobicContact CB-CZ 4.34Å; N393-Y454 PolarHBondContact ND2-OH 2.72Å | ||
| 394 | K | 57 | Low | 56.2 | Low | 100 Ų | 100 | 80.5 Ų | 80.5 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | trans | -79.7 | 3.7 | -173.6 | -87.7 | -178.4 | 177.9 | 174.4 | 0 | 115.9 | T392 R396 T466 | T392-K394 PolarHBondContact O-N 3.24Å; T392-K394 VanDerWaalsContact O-N 3.14Å; K394-R396 PolarHBondContact O-N 3.39Å; K394-T466 HydrophobicContact CB-CG2 3.8Å | ||
| 395 | N | 51.6 | Low | 57.5 | Low | 111 Ų | 111 | 75.6 Ų | 75.6 | 59% | 0.594 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 12.9 | -170.6 | -76.1 | 8 | 0 | 0 | 0 | 116 | N393 | N393-N395 VanDerWaalsContact C-N 3.31Å; N393-N395 PolarHBondContact O-N 3.44Å |
| 396 | R | 49.1 | Very low | 58.8 | Low | 140 Ų | 140 | 74.9 Ų | 74.9 | 53% | 0.528 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | 4.3 | 180 | -88.6 | -168.6 | 179 | -165.5 | 1.1 | 116.8 | K394 N398 A399 D404 | K394-R396 PolarHBondContact O-N 3.39Å; R396-N398 PolarHBondContact O-N 2.66Å; R396-A399 PolarHBondContact O-N 2.81Å; R396-A399 VanDerWaalsContact O-N 3.17Å; R396-D404 IonicContact NH1-OD2 3.78Å; R396-D404 PolarHBondContact NH1-OD2 2.79Å |
| 397 | S | 38.3 | Very low | 59.6 | Low | 91 Ų | 91 | 74 Ų | 74 | 64% | 0.636 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 4.6 | -172.8 | 68.5 | 0 | 0 | 0 | 0 | 117.2 | ||
| 398 | N | 41.3 | Very low | 60.2 | Low | 165 Ų | 165 | 70.3 Ų | 70.3 | 88% | 0.882 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | 5.6 | -178.9 | -66.1 | 12.3 | 0 | 0 | 0 | 113 | R396 | R396-N398 PolarHBondContact O-N 2.66Š|
| 399 | A | 38 | Very low | 60.9 | Low | 73 Ų | 73 | 68.5 Ų | 68.5 | 60% | 0.603 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -108 | 154.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | R396 | R396-A399 PolarHBondContact O-N 2.81Å; R396-A399 VanDerWaalsContact O-N 3.17Å |
| 400 | E | 40.1 | Very low | 61.5 | Low | 164 Ų | 164 | 71.2 Ų | 71.2 | 77% | 0.766 | 39% | 0.394 | S | S | * | . | trans | -52.8 | 150.3 | -179.8 | -63.4 | -176.8 | 149.2 | 0 | 0 | 112.6 | S402 | E400-S402 PolarHBondContact O-N 3.27Š| ||
| 401 | P | 38.3 | Very low | 62.2 | Low | 131 Ų | 131 | 71 Ų | 71 | 85% | 0.851 | 39% | 0.391 | S | S | * | . | trans | -72.7 | 38.3 | -176.5 | 31.6 | -37.3 | 0 | 0 | 0 | 114.3 | S403 | P401-S403 PolarHBondContact O-N 3.46Š| ||
| 402 | S | 40.8 | Very low | 63 | Low | 67 Ų | 67 | 70.7 Ų | 70.7 | 47% | 0.469 | 39% | 0.39 | S | S | . | . | trans | -80.1 | 78.8 | -178.3 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | E400 D404 | E400-S402 PolarHBondContact O-N 3.27Å; S402-D404 VanDerWaalsContact C-N 3.35Å; S402-D404 PolarHBondContact O-N 3.26Å | ||
| 403 | S | 48.1 | Very low | 64 | Low | 100 Ų | 100 | 69.7 Ų | 69.7 | 70% | 0.699 | 38% | 0.384 | S | S | * | . | trans | 57.6 | 12.3 | 134.9 | 66.3 | 0 | 0 | 0 | 0 | 121.8 | P401 F405 | P401-S403 PolarHBondContact O-N 3.46Å; S403-F405 PolarHBondContact O-N 3.23Å | ||
| 404 | D | 58 | Low | 65.3 | Low | 52 Ų | 52 | 67.4 Ų | 67.4 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | trans | -88 | 99.7 | -177.5 | -73.1 | -18.1 | 0 | 0 | 0 | 114.1 | R396 S402 T406 K444 | R396-D404 IonicContact NH1-OD2 3.78Å; R396-D404 PolarHBondContact NH1-OD2 2.79Å; S402-D404 VanDerWaalsContact C-N 3.35Å; S402-D404 PolarHBondContact O-N 3.26Å; D404-T406 PolarHBondContact O-N 3.33Å; D404-K444 WeakPolarHBondContact OD1-CE 3.21Å; D404-K444 IonicContact OD1-NZ 2.74Å; D404-K444 PolarHBondContact OD1-NZ 2.83Å; D404-K444 WeakPolarHBondContact OD2-CE 3.06Å; D404-K444 IonicContact OD2-NZ 3.14Å; D404-K444 PolarHBondContact OD2-NZ 2.8Å | ||
| 405 | F | 70.4 | Confident | 67 | Low | 94 Ų | 94 | 62.6 Ų | 62.6 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | trans | -71.8 | 106.5 | 170 | 178 | -110.4 | 0 | 0 | 0 | 111.5 | L365 S403 F439 | L365-F405 HydrophobicContact CD1-CE2 4.46Å; L365-F405 HydrophobicContact CD2-CD2 4.07Å; L365-F405 HydrophobicContact CD2-CE2 3.87Å; L365-F405 HydrophobicContact CG-CE2 4.29Å; S403-F405 PolarHBondContact O-N 3.23Å; F405-F439 AromaticContact CD1-CD2 3.84Å; F405-F439 HydrophobicContact CD1-CD2 3.84Å; F405-F439 HydrophobicContact CD1-CE2 4.38Å; F405-F439 AromaticContact CE1-CD2 3.47Å; F405-F439 HydrophobicContact CE1-CD2 3.47Å; F405-F439 VanDerWaalsContact CE1-CD2 3.47Å; F405-F439 AromaticContact CE1-CE2 3.63Å; F405-F439 HydrophobicContact CE1-CE2 3.63Å; F405-F439 HydrophobicContact CZ-CD2 4.42Å; F405-F439 HydrophobicContact CZ-CE2 4.46Å | ||
| 406 | T | 77.4 | Confident | 68.7 | Low | 29 Ų | 29 | 59.9 Ų | 59.9 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | trans | -81.3 | -15.2 | 178.2 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | D404 F408 A437 F439 E440 | D404-T406 PolarHBondContact O-N 3.33Å; T406-F408 VanDerWaalsContact C-N 3.28Å; T406-F408 PolarHBondContact O-N 3.27Å; T406-F408 PolarHBondContact OG1-N 3.42Å; T406-A437 CarbonylContact O-C 3.58Å; T406-F439 CarbonylContact O-C 3.46Å; T406-F439 PolarHBondContact O-N 3.32Å; T406-F439 VanDerWaalsContact O-N 3.13Å; T406-E440 HydrophobicContact CG2-CG 3.93Å; T406-E440 PolarHBondContact O-N 2.91Å | ||
| 407 | G | 82 | Confident | 70.4 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | trans | 70.5 | 16.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G409 F410 | G407-G409 PolarHBondContact O-N 2.95Å; G407-G409 VanDerWaalsContact O-N 3.16Å; G407-F410 WeakPolarHBondContact O-CB 3.44Å; G407-F410 PolarHBondContact O-N 3.2Å | ||
| 408 | F | 87.2 | Confident | 72.1 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 120.2 | 176 | -178.6 | -83.7 | 0 | 0 | 0 | 111 | P371 I373 N393 T406 I435 A437 Y454 L468 | P371-F408 HydrophobicContact CB-CB 4.17Å; P371-F408 HydrophobicContact CB-CD1 4.05Å; P371-F408 WeakPolarHBondContact CB-O 3.21Å; P371-F408 HydrophobicContact CG-CB 3.74Å; P371-F408 HydrophobicContact CG-CD1 4.15Å; P371-F408 HydrophobicContact CG-CG 4.3Å; I373-F408 HydrophobicContact CG1-CE1 4.44Å; N393-F408 HydrophobicContact CB-CE2 4.19Å; N393-F408 HydrophobicContact CB-CZ 4.34Å; T406-F408 VanDerWaalsContact C-N 3.28Å; T406-F408 PolarHBondContact O-N 3.27Å; T406-F408 PolarHBondContact OG1-N 3.42Å; F408-I435 HydrophobicContact CD1-CG2 4.16Å; F408-I435 HydrophobicContact CD2-CG2 4.09Å; F408-I435 HydrophobicContact CE1-CD1 4.3Å; F408-I435 HydrophobicContact CE1-CG2 4.01Å; F408-I435 HydrophobicContact CE2-CD1 4.3Å; F408-I435 HydrophobicContact CE2-CG2 3.93Å; F408-I435 HydrophobicContact CG-CG2 4.21Å; F408-I435 HydrophobicContact CZ-CD1 3.69Å; F408-I435 HydrophobicContact CZ-CG2 3.9Å; F408-A437 HydrophobicContact CB-CB 4.19Å; F408-Y454 AromaticContact CD2-CD2 3.68Å; F408-Y454 HydrophobicContact CD2-CD2 3.68Å; F408-Y454 AromaticContact CD2-CE2 3.45Å; F408-Y454 HydrophobicContact CD2-CE2 3.45Å; F408-Y454 VanDerWaalsContact CD2-CE2 3.45Å; F408-Y454 HydrophobicContact CE2-CD1 4.45Å; F408-Y454 AromaticContact CE2-CD2 3.52Å; F408-Y454 HydrophobicContact CE2-CD2 3.52Å; F408-Y454 AromaticContact CE2-CE2 3.64Å; F408-Y454 HydrophobicContact CE2-CE2 3.64Å; F408-Y454 AromaticContact CE2-CG 3.94Å; F408-Y454 HydrophobicContact CE2-CG 3.94Å; F408-L468 HydrophobicContact CE2-CD1 4.41Å; F408-L468 HydrophobicContact CZ-CD1 4.27Å |
| 409 | G | 88.6 | Confident | 73.2 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 9.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | S363 G407 T411 G436 | S363-G409 VanDerWaalsContact CB-O 3.28Å; S363-G409 WeakPolarHBondContact CB-O 3.2Å; S363-G409 PolarHBondContact OG-O 3.39Å; G407-G409 PolarHBondContact O-N 2.95Å; G407-G409 VanDerWaalsContact O-N 3.16Å; G409-T411 VanDerWaalsContact C-N 3.27Å; G409-G436 PolarHBondContact N-O 2.79Å |
| 410 | F | 89.7 | Confident | 74.1 | Confident | 67 Ų | 67 | 50.5 Ų | 50.5 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -61.2 | -37.1 | 171 | 178.5 | -93.6 | 0 | 0 | 0 | 111.8 | G407 P438 F439 Y482 | G407-F410 WeakPolarHBondContact O-CB 3.44Å; G407-F410 PolarHBondContact O-N 3.2Å; F410-P438 HydrophobicContact CB-CG 4.29Å; F410-P438 HydrophobicContact CD1-CG 3.82Å; F410-P438 HydrophobicContact CE1-CG 4.41Å; F410-P438 HydrophobicContact CG-CG 4.13Å; F410-F439 HydrophobicContact CD2-CE2 4.2Å; F410-F439 HydrophobicContact CE2-CE2 4.38Å; F410-Y482 HydrophobicContact CE1-CD1 4.46Å; F410-Y482 AromaticContact CE1-CD2 3.79Å; F410-Y482 HydrophobicContact CE1-CD2 3.79Å; F410-Y482 HydrophobicContact CE1-CE1 4.32Å; F410-Y482 AromaticContact CE1-CE2 3.65Å; F410-Y482 HydrophobicContact CE1-CE2 3.65Å; F410-Y482 HydrophobicContact CE1-CG 4.2Å; F410-Y482 AromaticContact CE1-CZ 3.92Å; F410-Y482 HydrophobicContact CZ-CD2 4.26Å; F410-Y482 AromaticContact CZ-CE2 3.67Å; F410-Y482 HydrophobicContact CZ-CE2 3.67Å; F410-Y482 AromaticContact CZ-CZ 3.89Å |
| 411 | T | 93.3 | Very high | 74.2 | Confident | 12 Ų | 12 | 48.2 Ų | 48.2 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.7 | 167.6 | -169.7 | 0 | 0 | 0 | 0 | 109.9 | G409 G436 G481 I484 | G409-T411 VanDerWaalsContact C-N 3.27Å; T411-G436 PolarHBondContact O-N 2.85Å; T411-G481 WeakPolarHBondContact CG2-O 3.33Å; T411-I484 HydrophobicContact CG2-CD1 3.9Å; T411-I484 HydrophobicContact CG2-CG1 3.82Å |
| 412 | V | 94.5 | Very high | 74.3 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 136.3 | -176.4 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | Q326 R328 I361 I373 I433 L434 | Q326-V412 HydrophobicContact CB-CG2 4.18Å; Q326-V412 HydrophobicContact CG-CB 3.78Å; Q326-V412 HydrophobicContact CG-CG2 3.97Å; R328-V412 HydrophobicContact CG-CB 4.39Å; R328-V412 HydrophobicContact CG-CG1 4.33Å; R328-V412 VanDerWaalsContact CG-O 3.26Å; R328-V412 WeakPolarHBondContact CG-O 3.26Å; R328-V412 PolarHBondContact NE-O 2.85Å; I361-V412 HydrophobicContact CG2-CG1 4.04Å; I373-V412 HydrophobicContact CD1-CG1 4.39Å; I373-V412 HydrophobicContact CD1-CG2 3.73Å; V412-I433 HydrophobicContact CG1-CG2 3.87Å; V412-L434 VanDerWaalsContact CA-O 3.31Å; V412-L434 WeakPolarHBondContact CA-O 3.44Å |
| 413 | E | 94.7 | Very high | 74.2 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 156.6 | 174.1 | -168 | 55.4 | -74.9 | 0 | 0 | 110.4 | R328 L434 I484 R486 R562 | R328-E413 WeakPolarHBondContact CD-OE1 3.27Å; R328-E413 IonicContact NE-OE1 3.2Å; R328-E413 PolarHBondContact NE-OE1 3Å; R328-E413 IonicContact NE-OE2 2.95Å; R328-E413 IonicContact NH2-OE2 3.6Å; E413-L434 PolarHBondContact N-O 3.18Å; E413-L434 PolarHBondContact O-N 3.48Å; E413-I484 HydrophobicContact CB-CB 4.25Å; E413-I484 HydrophobicContact CB-CG2 3.91Å; E413-R486 HydrophobicContact CG-CB 4.28Å; E413-R562 IonicContact OE1-CZ 2.74Å; E413-R562 IonicContact OE1-NE 3.91Å; E413-R562 IonicContact OE1-NH2 3.75Å; E413-R562 PolarHBondContact OE1-NH2 2.03Å; E413-R562 IonicContact OE2-CZ 3.84Å; E413-R562 IonicContact OE2-NE 3.8Å; E413-R562 PolarHBondContact OE2-NE 3.2Å; E413-R562 IonicContact OE2-NH2 2.63Å; E413-R562 PolarHBondContact OE2-NH2 2.86Å |
| 414 | T | 93.3 | Very high | 74.1 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.4 | -177 | 65 | 0 | 0 | 0 | 0 | 113.3 | R328 W329 I361 G432 I433 R486 | R328-T414 HydrophobicContact CB-CG2 4.28Å; W329-T414 WeakPolarHBondContact O-CG2 3.37Å; W329-T414 PolarHBondContact O-OG1 3.04Å; I361-T414 HydrophobicContact CG1-CG2 4.42Å; T414-G432 WeakPolarHBondContact CA-O 2.99Å; T414-I433 HydrophobicContact CG2-CG1 4.42Å; T414-R486 WeakPolarHBondContact O-CD 3.49Å; T414-R486 PolarHBondContact O-NH1 2.54Å |
| 415 | V | 91.5 | Very high | 73.6 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.4 | -174.7 | -71.1 | 0 | 0 | 0 | 0 | 111.2 | I417 Y431 G432 L434 R486 D496 V498 V531 | V415-I417 HydrophobicContact CG2-CD1 4.1Å; V415-I417 HydrophobicContact CG2-CG1 4.14Å; V415-Y431 CarbonylContact O-C 3.56Å; V415-Y431 WeakPolarHBondContact O-CA 3.39Å; V415-Y431 WeakPolarHBondContact O-CB 3.25Å; V415-G432 PolarHBondContact N-O 3.01Å; V415-G432 PolarHBondContact O-N 2.72Å; V415-L434 HydrophobicContact CG1-CD1 3.96Å; V415-L434 HydrophobicContact CG2-CD1 4.31Å; V415-R486 HydrophobicContact CG1-CG 4.23Å; V415-D496 HydrophobicContact CB-CB 4.06Å; V415-D496 HydrophobicContact CG1-CB 4.1Å; V415-V498 HydrophobicContact CG1-CG1 3.54Å; V415-V531 HydrophobicContact CG2-CG1 4.4Å |
| 416 | N | 87.6 | Confident | 72.8 | Confident | 54 Ų | 54 | 58 Ų | 58 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 131.2 | 171.1 | -65.1 | -74.6 | 0 | 0 | 0 | 109.9 | P331 I495 D496 | P331-N416 WeakPolarHBondContact CB-OD1 3.21Å; N416-I495 WeakPolarHBondContact O-CG2 3.4Å; N416-D496 VanDerWaalsContact CB-OD2 3.23Å; N416-D496 WeakPolarHBondContact CB-OD2 3.39Å; N416-D496 PolarHBondContact N-OD2 2.97Å; N416-D496 PolarHBondContact ND2-OD2 3.11Å; N416-D496 PolarHBondContact O-N 2.88Å |
| 417 | I | 84.9 | Confident | 71.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -133.2 | 90.4 | 174.7 | -55.1 | 179.7 | 0 | 0 | 0 | 107.5 | V415 T430 I455 I495 V531 C535 | V415-I417 HydrophobicContact CG2-CD1 4.1Å; V415-I417 HydrophobicContact CG2-CG1 4.14Å; I417-T430 CarbonylContact C-O 3.56Å; I417-T430 PolarHBondContact N-O 2.7Å; I417-T430 CarbonylContact O-C 3.58Å; I417-T430 VanDerWaalsContact O-CA 3.32Å; I417-T430 WeakPolarHBondContact O-CA 3.45Å; I417-I455 HydrophobicContact CD1-CD1 4.25Å; I417-I495 HydrophobicContact CG1-CG2 4.11Å; I417-V531 HydrophobicContact CD1-CG1 3.61Å; I417-V531 HydrophobicContact CG1-CG1 3.95Å; I417-C535 HydrophobicContact CD1-CB 4.33Å | ||
| 418 | P | 74.5 | Confident | 71.4 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 34% | 0.344 | 34% | 0.338 | S | S | . | . | trans | -52.4 | 145 | 177.7 | 18.7 | -32.7 | 0 | 0 | 0 | 112.9 | H420 R428 I495 | P418-H420 PolarHBondContact O-N 2.94Å; P418-R428 PolarHBondContact O-NH2 2.93Å; P418-I495 HydrophobicContact CG-CG1 4.23Å | ||
| 419 | Q | 64.6 | Low | 70.8 | Confident | 88 Ų | 88 | 61.1 Ų | 61.1 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | trans | -79.8 | 109.4 | 173.9 | -168.8 | 178.4 | 14.9 | 0 | 0 | 108.9 | S421 | Q419-S421 PolarHBondContact O-N 2.64Š| ||
| 420 | H | 55.9 | Low | 70.2 | Confident | 130 Ų | 130 | 62.5 Ų | 62.5 | 60% | 0.602 | 34% | 0.344 | S | S | * | . | trans | -66 | 108 | 175.6 | -98.7 | -88.7 | 0 | 0 | 0 | 110.8 | P418 K422 | P418-H420 PolarHBondContact O-N 2.94Å; H420-K422 PolarHBondContact O-N 2.91Å | ||
| 421 | S | 42.6 | Very low | 70.1 | Confident | 117 Ų | 117 | 59.6 Ų | 59.6 | 82% | 0.818 | 33% | 0.331 | S | S | * | . | trans | -78.5 | 54 | -175 | 48.6 | 0 | 0 | 0 | 0 | 113.7 | Q419 | Q419-S421 PolarHBondContact O-N 2.64Š| ||
| 422 | K | 41.2 | Very low | 69.8 | Low | 206 Ų | 206 | 59 Ų | 59 | 90% | 0.896 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -137.9 | 67.7 | 171.5 | -72.2 | -167.5 | 177.2 | -179.6 | 0 | 112.3 | H420 | H420-K422 PolarHBondContact O-N 2.91Š|
| 423 | G | 38.9 | Very low | 69.8 | Low | 62 Ų | 62 | 58.9 Ų | 58.9 | 64% | 0.639 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 153.2 | 141.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S425 | G423-S425 PolarHBondContact O-N 2.85Š|
| 424 | K | 45.7 | Very low | 69.8 | Low | 201 Ų | 201 | 58.8 Ų | 58.8 | 87% | 0.874 | 33% | 0.326 | S | S | * | . | trans | -69.6 | 76.9 | 172.9 | -73.9 | -176 | 174.4 | -176.5 | 0 | 109.9 | ||||
| 425 | S | 48.2 | Very low | 69.8 | Low | 90 Ų | 90 | 58.7 Ų | 58.7 | 63% | 0.629 | 33% | 0.326 | S | S | * | . | trans | -129.3 | 122.8 | -174.1 | -172.2 | 0 | 0 | 0 | 0 | 112.2 | G423 | G423-S425 PolarHBondContact O-N 2.85Š| ||
| 426 | V | 53.3 | Low | 69.9 | Low | 90 Ų | 90 | 58.7 Ų | 58.7 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | trans | 18.1 | 117.1 | 166.7 | -170.5 | 0 | 0 | 0 | 0 | 117.2 | R428 E459 | V426-R428 PolarHBondContact O-N 3.44Å; V426-E459 HydrophobicContact CG1-CB 4.44Å; V426-E459 HydrophobicContact CG1-CG 4.13Å | ||
| 427 | S | 58.9 | Low | 70.1 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | trans | -63.3 | 92.6 | 171 | -51.3 | 0 | 0 | 0 | 0 | 111.9 | K460 | S427-K460 PolarHBondContact O-N 2.68Å; S427-K460 VanDerWaalsContact O-N 3.14Å | ||
| 428 | R | 70.8 | Confident | 70.4 | Confident | 48 Ų | 48 | 56.1 Ų | 56.1 | 18% | 0.181 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -104.5 | 157.4 | 170.5 | 70 | 175.5 | -162.1 | -171.5 | 2.1 | 110.7 | P418 V426 E459 S533 | P418-R428 PolarHBondContact O-NH2 2.93Å; V426-R428 PolarHBondContact O-N 3.44Å; R428-E459 HydrophobicContact CB-CG 3.89Å; R428-S533 VanDerWaalsContact CZ-O 3.22Å; R428-S533 PolarHBondContact NH1-O 2.86Å; R428-S533 PolarHBondContact NH2-O 3.31Å |
| 429 | T | 73.9 | Confident | 71 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -58.1 | 152.7 | 169 | 42.9 | 0 | 0 | 0 | 0 | 112.8 | W354 M355 Y431 P458 | W354-T429 HydrophobicContact CH2-CG2 4.17Å; W354-T429 HydrophobicContact CZ3-CG2 3.78Å; M355-T429 HydrophobicContact CB-CG2 4.18Å; M355-T429 HydrophobicContact CG-CG2 3.94Å; T429-Y431 HydrophobicContact CG2-CD1 4.34Å; T429-Y431 HydrophobicContact CG2-CE1 3.62Å; T429-Y431 HydrophobicContact CG2-CE2 4.29Å; T429-Y431 PolarHBondContact O-N 2.86Å; T429-Y431 PolarHBondContact OG1-O 3.1Å; T429-P458 HydrophobicContact CG2-CB 3.95Å; T429-P458 HydrophobicContact CG2-CG 4.34Å; T429-P458 PolarHBondContact N-O 3.05Å; T429-P458 WeakPolarHBondContact OG1-CD 3.47Å; T429-P458 PolarHBondContact OG1-O 3.1Å | ||
| 430 | T | 77.2 | Confident | 71.9 | Confident | 29 Ų | 29 | 53 Ų | 53 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -86.7 | 20.8 | 175.9 | 59.2 | 0 | 0 | 0 | 0 | 113 | I417 | I417-T430 CarbonylContact C-O 3.56Å; I417-T430 PolarHBondContact N-O 2.7Å; I417-T430 CarbonylContact O-C 3.58Å; I417-T430 VanDerWaalsContact O-CA 3.32Å; I417-T430 WeakPolarHBondContact O-CA 3.45Å |
| 431 | Y | 85.9 | Confident | 72.7 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 150.5 | -178.4 | 62.2 | -98.3 | 0 | 0 | 0 | 110.7 | T330 Y389 V415 T429 I433 C457 P458 | T330-Y431 HydrophobicContact CG2-CD1 4.5Å; T330-Y431 HydrophobicContact CG2-CD2 4.15Å; T330-Y431 HydrophobicContact CG2-CE1 3.96Å; T330-Y431 HydrophobicContact CG2-CE2 3.58Å; T330-Y431 VanDerWaalsContact CG2-CZ 3.47Å; Y389-Y431 PolarHBondContact OH-OH 3.49Å; V415-Y431 CarbonylContact O-C 3.56Å; V415-Y431 WeakPolarHBondContact O-CA 3.39Å; V415-Y431 WeakPolarHBondContact O-CB 3.25Å; T429-Y431 HydrophobicContact CG2-CD1 4.34Å; T429-Y431 HydrophobicContact CG2-CE1 3.62Å; T429-Y431 HydrophobicContact CG2-CE2 4.29Å; T429-Y431 PolarHBondContact O-N 2.86Å; T429-Y431 PolarHBondContact OG1-O 3.1Å; Y431-I433 HydrophobicContact CD2-CG1 4.35Å; Y431-I433 HydrophobicContact CE2-CD1 4.35Å; Y431-I433 HydrophobicContact CE2-CG1 4.24Å; Y431-C457 PolarHBondContact O-SG 2.84Å; Y431-P458 HydrophobicContact CE2-CG 4.31Å |
| 432 | G | 88.9 | Confident | 73.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 147.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T414 V415 | T414-G432 WeakPolarHBondContact CA-O 2.99Å; V415-G432 PolarHBondContact N-O 3.01Å; V415-G432 PolarHBondContact O-N 2.72Å |
| 433 | I | 92.7 | Very high | 74.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.8 | 167.2 | -58.3 | 175.1 | 0 | 0 | 0 | 107.9 | I361 Y389 I391 V412 T414 Y431 I435 I455 V456 P458 | I361-I433 HydrophobicContact CD1-CD1 3.77Å; I361-I433 HydrophobicContact CG1-CD1 4.17Å; I361-I433 HydrophobicContact CG2-CD1 4.27Å; I361-I433 HydrophobicContact CG2-CG2 4.48Å; Y389-I433 HydrophobicContact CE2-CD1 4.11Å; Y389-I433 WeakPolarHBondContact OH-CD1 3.07Å; I391-I433 HydrophobicContact CD1-CD1 4.24Å; V412-I433 HydrophobicContact CG1-CG2 3.87Å; T414-I433 HydrophobicContact CG2-CG1 4.42Å; Y431-I433 HydrophobicContact CD2-CG1 4.35Å; Y431-I433 HydrophobicContact CE2-CD1 4.35Å; Y431-I433 HydrophobicContact CE2-CG1 4.24Å; I433-I435 HydrophobicContact CG2-CG1 4.06Å; I433-I455 WeakPolarHBondContact O-CA 3.05Å; I433-V456 PolarHBondContact N-O 3.06Å; I433-V456 PolarHBondContact O-N 3.07Å; I433-P458 HydrophobicContact CD1-CG 4.36Å |
| 434 | L | 94.8 | Very high | 74.9 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 137.6 | 172.5 | -73.8 | 158.4 | 0 | 0 | 0 | 109.8 | V412 E413 V415 V453 Y454 I455 I484 V498 L537 | V412-L434 VanDerWaalsContact CA-O 3.31Å; V412-L434 WeakPolarHBondContact CA-O 3.44Å; E413-L434 PolarHBondContact N-O 3.18Å; E413-L434 PolarHBondContact O-N 3.48Å; V415-L434 HydrophobicContact CG1-CD1 3.96Å; V415-L434 HydrophobicContact CG2-CD1 4.31Å; L434-V453 HydrophobicContact CD2-CG1 3.97Å; L434-Y454 CarbonylContact C-O 3.45Å; L434-Y454 WeakPolarHBondContact CA-O 3.24Å; L434-I455 HydrophobicContact CD2-CB 3.81Å; L434-I455 HydrophobicContact CD2-CD1 4.16Å; L434-I455 HydrophobicContact CD2-CG1 3.94Å; L434-I455 HydrophobicContact CG-CG1 4.38Å; L434-I484 HydrophobicContact CB-CD1 4.15Å; L434-I484 HydrophobicContact CB-CG2 4.29Å; L434-I484 HydrophobicContact CD1-CG2 4.16Å; L434-V498 HydrophobicContact CD1-CB 4.23Å; L434-V498 HydrophobicContact CD1-CG1 3.53Å; L434-V498 HydrophobicContact CD1-CG2 4.06Å; L434-L537 HydrophobicContact CD2-CD1 4.03Å; L434-L537 HydrophobicContact CD2-CD2 4.23Å; L434-L537 HydrophobicContact CD2-CG 4.38Å |
| 435 | I | 94.4 | Very high | 75.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 114.2 | -172.1 | -46.8 | 172.7 | 0 | 0 | 0 | 109.1 | I373 I391 F408 I433 V453 Y454 V456 | I373-I435 HydrophobicContact CD1-CB 4.23Å; I373-I435 HydrophobicContact CD1-CD1 3.59Å; I373-I435 HydrophobicContact CD1-CG1 3.55Å; I373-I435 HydrophobicContact CD1-CG2 3.77Å; I373-I435 HydrophobicContact CG1-CD1 4.5Å; I391-I435 HydrophobicContact CG2-CD1 4.45Å; F408-I435 HydrophobicContact CD1-CG2 4.16Å; F408-I435 HydrophobicContact CD2-CG2 4.09Å; F408-I435 HydrophobicContact CE1-CD1 4.3Å; F408-I435 HydrophobicContact CE1-CG2 4.01Å; F408-I435 HydrophobicContact CE2-CD1 4.3Å; F408-I435 HydrophobicContact CE2-CG2 3.93Å; F408-I435 HydrophobicContact CG-CG2 4.21Å; F408-I435 HydrophobicContact CZ-CD1 3.69Å; F408-I435 HydrophobicContact CZ-CG2 3.9Å; I433-I435 HydrophobicContact CG2-CG1 4.06Å; I435-V453 CarbonylContact O-C 3.6Å; I435-V453 WeakPolarHBondContact O-CA 3.44Å; I435-Y454 PolarHBondContact N-O 2.6Å; I435-Y454 PolarHBondContact O-N 2.63Å; I435-V456 HydrophobicContact CD1-CG2 3.9Å |
| 436 | G | 93.2 | Very high | 75.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 144.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | G409 T411 | G409-G436 PolarHBondContact N-O 2.79Å; T411-G436 PolarHBondContact O-N 2.85Å |
| 437 | A | 91.6 | Very high | 75.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 70.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | T406 F408 F439 E440 G451 R452 Y454 | T406-A437 CarbonylContact O-C 3.58Å; F408-A437 HydrophobicContact CB-CB 4.19Å; A437-F439 PolarHBondContact O-N 3.02Å; A437-E440 HydrophobicContact CB-CB 4.13Å; A437-E440 WeakPolarHBondContact O-CB 3.07Å; A437-E440 PolarHBondContact O-N 3.23Å; A437-E440 VanDerWaalsContact O-N 3.17Å; A437-G451 WeakPolarHBondContact O-CA 3.23Å; A437-R452 WeakPolarHBondContact CA-O 3.3Å; A437-R452 PolarHBondContact N-O 2.88Å; A437-R452 PolarHBondContact O-N 3.04Å; A437-Y454 HydrophobicContact CB-CE2 4.03Å |
| 438 | P | 91.9 | Very high | 75.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -16 | -168.2 | 26 | -34.8 | 0 | 0 | 0 | 115 | F410 F479 F480 Y482 | F410-P438 HydrophobicContact CB-CG 4.29Å; F410-P438 HydrophobicContact CD1-CG 3.82Å; F410-P438 HydrophobicContact CE1-CG 4.41Å; F410-P438 HydrophobicContact CG-CG 4.13Å; P438-F479 HydrophobicContact CB-CB 4.2Å; P438-F480 WeakPolarHBondContact CA-O 3.31Å; P438-Y482 HydrophobicContact CB-CD2 4.45Å; P438-Y482 HydrophobicContact CG-CD2 4.49Å |
| 439 | F | 86.8 | Confident | 76.2 | Confident | 52 Ų | 52 | 41.1 Ų | 41.1 | 23% | 0.228 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 3.8 | 178.7 | -46.2 | -62.1 | 0 | 0 | 0 | 112.4 | F405 T406 F410 A437 F479 | F405-F439 AromaticContact CD1-CD2 3.84Å; F405-F439 HydrophobicContact CD1-CD2 3.84Å; F405-F439 HydrophobicContact CD1-CE2 4.38Å; F405-F439 AromaticContact CE1-CD2 3.47Å; F405-F439 HydrophobicContact CE1-CD2 3.47Å; F405-F439 VanDerWaalsContact CE1-CD2 3.47Å; F405-F439 AromaticContact CE1-CE2 3.63Å; F405-F439 HydrophobicContact CE1-CE2 3.63Å; F405-F439 HydrophobicContact CZ-CD2 4.42Å; F405-F439 HydrophobicContact CZ-CE2 4.46Å; T406-F439 CarbonylContact O-C 3.46Å; T406-F439 PolarHBondContact O-N 3.32Å; T406-F439 VanDerWaalsContact O-N 3.13Å; F410-F439 HydrophobicContact CD2-CE2 4.2Å; F410-F439 HydrophobicContact CE2-CE2 4.38Å; A437-F439 PolarHBondContact O-N 3.02Å; F439-F479 AromaticContact CD1-CD1 3.77Å; F439-F479 HydrophobicContact CD1-CD1 3.77Å; F439-F479 AromaticContact CD1-CE1 3.86Å; F439-F479 HydrophobicContact CD1-CE1 3.86Å; F439-F479 AromaticContact CE1-CD1 3.74Å; F439-F479 HydrophobicContact CE1-CD1 3.74Å; F439-F479 AromaticContact CE1-CE1 3.89Å; F439-F479 HydrophobicContact CE1-CE1 3.89Å |
| 440 | E | 83.3 | Confident | 76.6 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | trans | -67.9 | 139.7 | -179.9 | -152.9 | -178.7 | 129.3 | 0 | 0 | 111.7 | T406 A437 H450 G451 R452 Y454 | T406-E440 HydrophobicContact CG2-CG 3.93Å; T406-E440 PolarHBondContact O-N 2.91Å; A437-E440 HydrophobicContact CB-CB 4.13Å; A437-E440 WeakPolarHBondContact O-CB 3.07Å; A437-E440 PolarHBondContact O-N 3.23Å; A437-E440 VanDerWaalsContact O-N 3.17Å; E440-H450 PolarHBondContact O-CE1 2.9Å; E440-H450 VanDerWaalsContact O-CE1 3.23Å; E440-H450 PolarHBondContact O-ND1 2.89Å; E440-H450 VanDerWaalsContact O-ND1 3.16Å; E440-G451 PolarHBondContact O-N 3.16Å; E440-R452 HydrophobicContact CB-CB 4.33Å; E440-R452 IonicContact OE1-CZ 2.99Å; E440-R452 IonicContact OE1-NE 2.68Å; E440-R452 PolarHBondContact OE1-NE 3.41Å; E440-R452 IonicContact OE1-NH2 3.63Å; E440-R452 PolarHBondContact OE1-NH2 2.88Å; E440-R452 IonicContact OE2-NE 3.62Å; E440-Y454 VanDerWaalsContact CD-OH 3.29Å; E440-Y454 PolarHBondContact OE1-OH 3.37Å; E440-Y454 WeakPolarHBondContact OE2-CE2 3.32Å; E440-Y454 PolarHBondContact OE2-OH 3.22Å | ||
| 441 | S | 72.7 | Confident | 77.2 | Confident | 22 Ų | 22 | 39.7 Ų | 39.7 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | trans | -132.4 | 128.6 | 176.2 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | N447 | S441-N447 VanDerWaalsContact CB-O 3.23Å; S441-N447 WeakPolarHBondContact CB-O 3.42Å | ||
| 442 | S | 59.4 | Low | 77.4 | Confident | 59 Ų | 59 | 40.9 Ų | 40.9 | 41% | 0.413 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -74.9 | -34.5 | -179.4 | 46.2 | 0 | 0 | 0 | 0 | 111 | H450 | S442-H450 PolarHBondContact N-CE1 2.81Å; S442-H450 VanDerWaalsContact N-CE1 3.33Å |
| 443 | T | 56.8 | Low | 77.7 | Confident | 72 Ų | 72 | 40.9 Ų | 40.9 | 44% | 0.442 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -143.2 | 124.4 | 165.6 | 49 | 0 | 0 | 0 | 0 | 109.9 | Q445 Y446 N447 | T443-Q445 VanDerWaalsContact C-N 3.28Å; T443-Q445 PolarHBondContact O-N 2.79Å; T443-Y446 PolarHBondContact O-N 3.28Å; T443-N447 PolarHBondContact O-N 3.06Å; T443-N447 VanDerWaalsContact O-N 3.08Å |
| 444 | K | 51.9 | Low | 77.7 | Confident | 125 Ų | 125 | 41.5 Ų | 41.5 | 54% | 0.543 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -38.3 | -176.3 | -79.1 | -177.3 | 173.4 | 171.4 | 0 | 113.8 | D404 | D404-K444 WeakPolarHBondContact OD1-CE 3.21Å; D404-K444 IonicContact OD1-NZ 2.74Å; D404-K444 PolarHBondContact OD1-NZ 2.83Å; D404-K444 WeakPolarHBondContact OD2-CE 3.06Å; D404-K444 IonicContact OD2-NZ 3.14Å; D404-K444 PolarHBondContact OD2-NZ 2.8Å |
| 445 | Q | 50 | Low | 77.6 | Confident | 178 Ų | 178 | 41.7 Ų | 41.7 | 83% | 0.832 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -27.7 | -177.1 | -78.1 | 173.1 | -33.3 | 0 | 0 | 113.6 | T443 | T443-Q445 VanDerWaalsContact C-N 3.28Å; T443-Q445 PolarHBondContact O-N 2.79Å |
| 446 | Y | 51.3 | Low | 77.3 | Confident | 156 Ų | 156 | 41.9 Ų | 41.9 | 61% | 0.612 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -44.5 | -171.9 | -69.2 | -86.9 | 0 | 0 | 0 | 113.7 | T443 K476 | T443-Y446 PolarHBondContact O-N 3.28Å; Y446-K476 VanDerWaalsContact O-CD 3.25Å; Y446-K476 WeakPolarHBondContact O-CD 3.24Å; Y446-K476 WeakPolarHBondContact O-CE 3.34Å; Y446-K476 PolarHBondContact O-NZ 3.46Å |
| 447 | N | 56.4 | Low | 76.9 | Confident | 52 Ų | 52 | 42.1 Ų | 42.1 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | trans | -130.7 | 74.3 | -175.9 | -80.8 | 5.4 | 0 | 0 | 0 | 112.8 | S441 T443 H450 K476 | S441-N447 VanDerWaalsContact CB-O 3.23Å; S441-N447 WeakPolarHBondContact CB-O 3.42Å; T443-N447 PolarHBondContact O-N 3.06Å; T443-N447 VanDerWaalsContact O-N 3.08Å; N447-H450 HydrophobicContact CB-CB 4.45Å; N447-H450 PolarHBondContact O-ND1 3.17Å; N447-K476 VanDerWaalsContact OD1-CE 3.24Å; N447-K476 WeakPolarHBondContact OD1-CE 3.19Å; N447-K476 WeakPolarHBondContact OD1-CG 3.49Å | ||
| 448 | P | 69.1 | Low | 76.3 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 141.5 | 171.4 | 29 | -35.2 | 0 | 0 | 0 | 111.1 | H450 N477 | P448-H450 PolarHBondContact O-N 3.39Å; P448-N477 PolarHBondContact O-N 3.45Å; P448-N477 PolarHBondContact O-OD1 3.09Å |
| 449 | N | 77.6 | Confident | 75.5 | Confident | 48 Ų | 48 | 44.9 Ų | 44.9 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.7 | 41.9 | 173.9 | -51.5 | -48.6 | 0 | 0 | 0 | 114.7 | G451 N477 E478 F479 | N449-G451 VanDerWaalsContact C-N 3.3Å; N449-N477 PolarHBondContact ND2-OD1 3.2Å; N449-N477 CarbonylContact O-C 3.59Å; N449-N477 WeakPolarHBondContact O-CA 3.38Å; N449-N477 PolarHBondContact O-N 3.39Å; N449-E478 PolarHBondContact O-N 3.28Å; N449-F479 HydrophobicContact CB-CD1 3.89Å; N449-F479 HydrophobicContact CB-CE1 3.58Å; N449-F479 HydrophobicContact CB-CZ 3.99Å; N449-F479 PolarHBondContact O-N 2.72Å |
| 450 | H | 83.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -69.4 | -37.2 | 173.4 | 72.4 | -86.4 | 0 | 0 | 0 | 109.8 | E440 S442 N447 P448 E472 R475 F480 | E440-H450 PolarHBondContact O-CE1 2.9Å; E440-H450 VanDerWaalsContact O-CE1 3.23Å; E440-H450 PolarHBondContact O-ND1 2.89Å; E440-H450 VanDerWaalsContact O-ND1 3.16Å; S442-H450 PolarHBondContact N-CE1 2.81Å; S442-H450 VanDerWaalsContact N-CE1 3.33Å; N447-H450 HydrophobicContact CB-CB 4.45Å; N447-H450 PolarHBondContact O-ND1 3.17Å; P448-H450 PolarHBondContact O-N 3.39Å; H450-E472 IonicContact NE2-OE2 3.51Å; H450-R475 WeakPolarHBondContact CA-O 3.36Å; H450-R475 WeakPolarHBondContact CB-O 3.32Å; H450-F480 WeakPolarHBondContact O-CB 3.27Å; H450-F480 PolarHBondContact O-N 3.45Å | ||
| 451 | G | 88.6 | Confident | 73 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | 83.5 | 147.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A437 E440 N449 G473 F480 | A437-G451 WeakPolarHBondContact O-CA 3.23Å; E440-G451 PolarHBondContact O-N 3.16Å; N449-G451 VanDerWaalsContact C-N 3.3Å; G451-G473 PolarHBondContact O-N 2.9Å; G451-F480 CarbonylContact C-O 3.52Å; G451-F480 VanDerWaalsContact C-O 3.31Å; G451-F480 VanDerWaalsContact CA-O 3.25Å; G451-F480 WeakPolarHBondContact CA-O 3.42Å | ||
| 452 | R | 90.9 | Very high | 72.2 | Confident | 31 Ų | 31 | 56 Ų | 56 | 12% | 0.117 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 146.6 | -176.2 | -169 | -163.7 | -71.8 | -77 | -11.8 | 110.2 | A437 E440 Y454 S470 V471 E472 F480 | A437-R452 WeakPolarHBondContact CA-O 3.3Å; A437-R452 PolarHBondContact N-O 2.88Å; A437-R452 PolarHBondContact O-N 3.04Å; E440-R452 HydrophobicContact CB-CB 4.33Å; E440-R452 IonicContact OE1-CZ 2.99Å; E440-R452 IonicContact OE1-NE 2.68Å; E440-R452 PolarHBondContact OE1-NE 3.41Å; E440-R452 IonicContact OE1-NH2 3.63Å; E440-R452 PolarHBondContact OE1-NH2 2.88Å; E440-R452 IonicContact OE2-NE 3.62Å; R452-Y454 HydrophobicContact CB-CE2 4.45Å; R452-Y454 VanDerWaalsContact CD-CE2 3.46Å; R452-Y454 VanDerWaalsContact CD-OH 3.27Å; R452-Y454 WeakPolarHBondContact CD-OH 3.47Å; R452-Y454 HydrophobicContact CG-CE2 4.16Å; R452-S470 PolarHBondContact NH1-OG 2.9Å; R452-V471 WeakPolarHBondContact CA-O 3.36Å; R452-V471 WeakPolarHBondContact CG-O 3.41Å; R452-E472 HydrophobicContact CG-CG 4.19Å; R452-E472 IonicContact CZ-OE1 3.64Å; R452-E472 VanDerWaalsContact NH1-CG 3.35Å; R452-E472 IonicContact NH1-OE1 3.54Å; R452-E472 PolarHBondContact NH1-OE1 2.83Å; R452-E472 IonicContact NH2-OE1 2.73Å; R452-E472 PolarHBondContact NH2-OE1 3.23Å; R452-F480 PolarHBondContact N-O 3.43Å |
| 453 | V | 94.2 | Very high | 71.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.5 | 167.8 | 176 | 0 | 0 | 0 | 0 | 109.8 | L434 I435 S470 V471 F480 G481 I484 I500 L537 | L434-V453 HydrophobicContact CD2-CG1 3.97Å; I435-V453 CarbonylContact O-C 3.6Å; I435-V453 WeakPolarHBondContact O-CA 3.44Å; V453-S470 CarbonylContact O-C 3.55Å; V453-S470 WeakPolarHBondContact O-CA 3.36Å; V453-S470 WeakPolarHBondContact O-CB 3.38Å; V453-V471 PolarHBondContact N-O 3.09Å; V453-V471 PolarHBondContact O-N 2.85Å; V453-F480 HydrophobicContact CB-CE1 4.02Å; V453-F480 HydrophobicContact CG2-CD1 4.09Å; V453-F480 HydrophobicContact CG2-CE1 3.74Å; V453-F480 HydrophobicContact CG2-CZ 4.41Å; V453-G481 VanDerWaalsContact CG2-CA 3.44Å; V453-I484 HydrophobicContact CG1-CD1 3.71Å; V453-I484 HydrophobicContact CG2-CD1 3.95Å; V453-I484 HydrophobicContact CG2-CG1 4.48Å; V453-I500 HydrophobicContact CB-CD1 4.22Å; V453-I500 HydrophobicContact CG1-CD1 4.09Å; V453-I500 HydrophobicContact CG2-CD1 4.14Å; V453-I500 HydrophobicContact CG2-CG2 3.72Å; V453-L537 HydrophobicContact CG1-CD1 4.41Å |
| 454 | Y | 92.6 | Very high | 71.6 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 150.5 | 174.5 | -57.6 | -99.1 | 0 | 0 | 0 | 110.7 | N393 F408 L434 I435 A437 E440 R452 L468 F469 | N393-Y454 PolarHBondContact ND2-OH 2.72Å; F408-Y454 AromaticContact CD2-CD2 3.68Å; F408-Y454 HydrophobicContact CD2-CD2 3.68Å; F408-Y454 AromaticContact CD2-CE2 3.45Å; F408-Y454 HydrophobicContact CD2-CE2 3.45Å; F408-Y454 VanDerWaalsContact CD2-CE2 3.45Å; F408-Y454 HydrophobicContact CE2-CD1 4.45Å; F408-Y454 AromaticContact CE2-CD2 3.52Å; F408-Y454 HydrophobicContact CE2-CD2 3.52Å; F408-Y454 AromaticContact CE2-CE2 3.64Å; F408-Y454 HydrophobicContact CE2-CE2 3.64Å; F408-Y454 AromaticContact CE2-CG 3.94Å; F408-Y454 HydrophobicContact CE2-CG 3.94Å; L434-Y454 CarbonylContact C-O 3.45Å; L434-Y454 WeakPolarHBondContact CA-O 3.24Å; I435-Y454 PolarHBondContact N-O 2.6Å; I435-Y454 PolarHBondContact O-N 2.63Å; A437-Y454 HydrophobicContact CB-CE2 4.03Å; E440-Y454 VanDerWaalsContact CD-OH 3.29Å; E440-Y454 PolarHBondContact OE1-OH 3.37Å; E440-Y454 WeakPolarHBondContact OE2-CE2 3.32Å; E440-Y454 PolarHBondContact OE2-OH 3.22Å; R452-Y454 HydrophobicContact CB-CE2 4.45Å; R452-Y454 VanDerWaalsContact CD-CE2 3.46Å; R452-Y454 VanDerWaalsContact CD-OH 3.27Å; R452-Y454 WeakPolarHBondContact CD-OH 3.47Å; R452-Y454 HydrophobicContact CG-CE2 4.16Å; Y454-L468 HydrophobicContact CD1-CB 3.72Å; Y454-L468 HydrophobicContact CD1-CD1 4.22Å; Y454-L468 HydrophobicContact CE1-CB 4.4Å; Y454-F469 VanDerWaalsContact CA-O 3.31Å; Y454-F469 WeakPolarHBondContact CA-O 3.37Å |
| 455 | I | 92.2 | Very high | 71.9 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 136.4 | 170 | -170.3 | 174.8 | 0 | 0 | 0 | 110.2 | I417 I433 L434 F469 V531 C535 | I417-I455 HydrophobicContact CD1-CD1 4.25Å; I433-I455 WeakPolarHBondContact O-CA 3.05Å; L434-I455 HydrophobicContact CD2-CB 3.81Å; L434-I455 HydrophobicContact CD2-CD1 4.16Å; L434-I455 HydrophobicContact CD2-CG1 3.94Å; L434-I455 HydrophobicContact CG-CG1 4.38Å; I455-F469 HydrophobicContact CG2-CB 4.01Å; I455-F469 HydrophobicContact CG2-CD1 3.71Å; I455-F469 HydrophobicContact CG2-CG 4.25Å; I455-F469 PolarHBondContact N-O 3.19Å; I455-V531 HydrophobicContact CD1-CG1 3.93Å; I455-C535 WeakPolarHBondContact CG2-O 3.12Å |
| 456 | V | 88.4 | Confident | 72 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 124 | -178.4 | -163.1 | 0 | 0 | 0 | 0 | 110.6 | I391 I433 I435 P458 K465 L468 | I391-V456 HydrophobicContact CD1-CB 4.16Å; I391-V456 HydrophobicContact CD1-CG1 3.97Å; I391-V456 HydrophobicContact CD1-CG2 4.45Å; I391-V456 HydrophobicContact CG2-CG2 4.36Å; I433-V456 PolarHBondContact N-O 3.06Å; I433-V456 PolarHBondContact O-N 3.07Å; I435-V456 HydrophobicContact CD1-CG2 3.9Å; V456-P458 WeakPolarHBondContact O-CD 3.33Å; V456-K465 HydrophobicContact CG1-CD 4.39Å; V456-L468 HydrophobicContact CG1-CD2 4.1Å; V456-L468 HydrophobicContact CG2-CD1 3.91Å; V456-L468 HydrophobicContact CG2-CD2 3.8Å; V456-L468 HydrophobicContact CG2-CG 4.33Å |
| 457 | C | 85.8 | Confident | 72.3 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.034 | 24% | 0.236 | C | C | . | . | trans | -99.6 | 114 | 160 | -67.4 | 0 | 0 | 0 | 0 | 108.4 | Y431 C535 | Y431-C457 PolarHBondContact O-SG 2.84Å; C457-C535 HydrophobicContact CB-CB 3.91Å; C457-C535 WeakPolarHBondContact CB-SG 3.18Å; C457-C535 PolarHBondContact N-SG 3.23Å; C457-C535 WeakPolarHBondContact SG-CB 3.43Å; C457-C535 CovalentContact SG-SG 2.03Å; C457-C535 PolarHBondContact SG-SG 3.17Å | ||
| 458 | P | 79.5 | Confident | 73.1 | Confident | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.045 | 23% | 0.227 | C | C | . | . | trans | -57.8 | 144 | 170.8 | -23.2 | 28.4 | 0 | 0 | 0 | 112.8 | W354 Y389 T429 Y431 I433 V456 | W354-P458 HydrophobicContact CH2-CB 4.23Å; W354-P458 HydrophobicContact CZ3-CB 4.07Å; Y389-P458 HydrophobicContact CD1-CB 4.23Å; Y389-P458 HydrophobicContact CD2-CB 4.39Å; Y389-P458 HydrophobicContact CD2-CG 4.22Å; Y389-P458 HydrophobicContact CE1-CB 3.94Å; Y389-P458 HydrophobicContact CE1-CG 3.88Å; Y389-P458 HydrophobicContact CE2-CB 4.12Å; Y389-P458 HydrophobicContact CE2-CG 3.51Å; Y389-P458 HydrophobicContact CG-CB 4.46Å; Y389-P458 WeakPolarHBondContact OH-CG 3.25Å; T429-P458 HydrophobicContact CG2-CB 3.95Å; T429-P458 HydrophobicContact CG2-CG 4.34Å; T429-P458 PolarHBondContact N-O 3.05Å; T429-P458 WeakPolarHBondContact OG1-CD 3.47Å; T429-P458 PolarHBondContact OG1-O 3.1Å; Y431-P458 HydrophobicContact CE2-CG 4.31Å; I433-P458 HydrophobicContact CD1-CG 4.36Å; V456-P458 WeakPolarHBondContact O-CD 3.33Å | ||
| 459 | E | 74 | Confident | 73.9 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 24% | 0.238 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -127.6 | 158 | 179.8 | -61.1 | 156.4 | -133.6 | 0 | 0 | 110.6 | V426 R428 R461 I462 K465 | V426-E459 HydrophobicContact CG1-CB 4.44Å; V426-E459 HydrophobicContact CG1-CG 4.13Å; R428-E459 HydrophobicContact CB-CG 3.89Å; E459-R461 PolarHBondContact O-N 3.09Å; E459-R461 VanDerWaalsContact O-N 3.16Å; E459-I462 HydrophobicContact CB-CD1 3.7Å; E459-I462 HydrophobicContact CB-CG1 4.04Å; E459-I462 HydrophobicContact CG-CD1 4.12Å; E459-I462 PolarHBondContact O-N 2.69Å; E459-I462 VanDerWaalsContact O-N 3.14Å; E459-K465 IonicContact OE1-NZ 3.57Å; E459-K465 PolarHBondContact OE1-NZ 3.29Å |
| 460 | K | 61.1 | Low | 74.4 | Confident | 81 Ų | 81 | 45 Ų | 45 | 35% | 0.352 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 118.3 | -178.8 | -154.7 | 175.3 | -173 | 172.9 | 0 | 111.9 | G351 D352 M355 S427 | G351-K460 VanDerWaalsContact O-CE 3.31Å; G351-K460 WeakPolarHBondContact O-CE 3.08Å; D352-K460 WeakPolarHBondContact OD1-CD 3.27Å; D352-K460 WeakPolarHBondContact OD1-CE 3.28Å; D352-K460 IonicContact OD1-NZ 3.57Å; D352-K460 PolarHBondContact OD1-NZ 2.98Å; D352-K460 IonicContact OD2-NZ 3.3Å; D352-K460 PolarHBondContact OD2-NZ 3.33Å; M355-K460 HydrophobicContact CE-CB 4.36Å; M355-K460 HydrophobicContact CE-CD 4.22Å; M355-K460 HydrophobicContact CE-CG 4.37Å; S427-K460 PolarHBondContact O-N 2.68Å; S427-K460 VanDerWaalsContact O-N 3.14Å |
| 461 | R | 57.2 | Low | 74.7 | Confident | 204 Ų | 204 | 45.7 Ų | 45.7 | 77% | 0.77 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 10.3 | -178.7 | -51.4 | 176.1 | 174.2 | 164.3 | -0.8 | 117.5 | E459 T463 | E459-R461 PolarHBondContact O-N 3.09Å; E459-R461 VanDerWaalsContact O-N 3.16Å; R461-T463 PolarHBondContact O-N 3.01Å |
| 462 | I | 54.9 | Low | 74.7 | Confident | 45 Ų | 45 | 49.6 Ų | 49.6 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | trans | -80.2 | 107.7 | 174.1 | -63 | -169.5 | 0 | 0 | 0 | 111.4 | E459 K465 | E459-I462 HydrophobicContact CB-CD1 3.7Å; E459-I462 HydrophobicContact CB-CG1 4.04Å; E459-I462 HydrophobicContact CG-CD1 4.12Å; E459-I462 PolarHBondContact O-N 2.69Å; E459-I462 VanDerWaalsContact O-N 3.14Å; I462-K465 HydrophobicContact CD1-CD 4.08Å; I462-K465 HydrophobicContact CG2-CB 3.9Å | ||
| 463 | T | 51 | Low | 74.4 | Confident | 91 Ų | 91 | 48.6 Ų | 48.6 | 56% | 0.558 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -94 | -16.2 | 164 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | S390 R461 | S390-T463 CarbonylContact O-C 3.34Å; R461-T463 PolarHBondContact O-N 3.01Å |
| 464 | H | 53.9 | Low | 73.9 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | trans | -153.1 | 129.6 | 175.8 | -60.5 | -77.9 | 0 | 0 | 0 | 110.2 | T392 | T392-H464 PolarHBondContact OG1-ND1 2.99Š| ||
| 465 | K | 56.5 | Low | 73.3 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 26% | 0.261 | 29% | 0.286 | S | S | . | . | trans | -118.5 | 125 | 173.3 | -166 | 167.7 | -179 | 165.7 | 0 | 109.8 | V456 E459 I462 L468 | V456-K465 HydrophobicContact CG1-CD 4.39Å; E459-K465 IonicContact OE1-NZ 3.57Å; E459-K465 PolarHBondContact OE1-NZ 3.29Å; I462-K465 HydrophobicContact CD1-CD 4.08Å; I462-K465 HydrophobicContact CG2-CB 3.9Å; K465-L468 HydrophobicContact CB-CD2 3.86Å; K465-L468 HydrophobicContact CD-CD2 4.01Å; K465-L468 HydrophobicContact CG-CD2 3.86Å | ||
| 466 | T | 53.8 | Low | 72.6 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 45% | 0.454 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -97.9 | 150 | 171.7 | 42.5 | 0 | 0 | 0 | 0 | 110 | K394 | K394-T466 HydrophobicContact CB-CG2 3.8Š|
| 467 | G | 57.1 | Low | 72.3 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 57% | 0.567 | 31% | 0.309 | S | S | * | . | S | Bend | trans | 69.6 | 49 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 468 | L | 73.4 | Confident | 72.3 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | trans | -61.6 | 139.9 | 172.9 | -58.7 | -178.1 | 0 | 0 | 0 | 110.6 | I391 F408 Y454 V456 K465 | I391-L468 HydrophobicContact CG2-CD1 4.06Å; F408-L468 HydrophobicContact CE2-CD1 4.41Å; F408-L468 HydrophobicContact CZ-CD1 4.27Å; Y454-L468 HydrophobicContact CD1-CB 3.72Å; Y454-L468 HydrophobicContact CD1-CD1 4.22Å; Y454-L468 HydrophobicContact CE1-CB 4.4Å; V456-L468 HydrophobicContact CG1-CD2 4.1Å; V456-L468 HydrophobicContact CG2-CD1 3.91Å; V456-L468 HydrophobicContact CG2-CD2 3.8Å; V456-L468 HydrophobicContact CG2-CG 4.33Å; K465-L468 HydrophobicContact CB-CD2 3.86Å; K465-L468 HydrophobicContact CD-CD2 4.01Å; K465-L468 HydrophobicContact CG-CD2 3.86Å | ||
| 469 | F | 84.7 | Confident | 72.8 | Confident | 79 Ų | 79 | 61.1 Ų | 61.1 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 138.3 | 172.5 | -174.4 | -83.5 | 0 | 0 | 0 | 109.6 | Y454 I455 V471 T536 L537 | Y454-F469 VanDerWaalsContact CA-O 3.31Å; Y454-F469 WeakPolarHBondContact CA-O 3.37Å; I455-F469 HydrophobicContact CG2-CB 4.01Å; I455-F469 HydrophobicContact CG2-CD1 3.71Å; I455-F469 HydrophobicContact CG2-CG 4.25Å; I455-F469 PolarHBondContact N-O 3.19Å; F469-V471 HydrophobicContact CE1-CG2 4Å; F469-T536 HydrophobicContact CB-CG2 4.32Å; F469-T536 HydrophobicContact CD1-CG2 4.3Å; F469-T536 HydrophobicContact CD2-CG2 3.49Å; F469-T536 VanDerWaalsContact CD2-CG2 3.49Å; F469-T536 HydrophobicContact CE2-CG2 3.79Å; F469-T536 HydrophobicContact CG-CG2 3.77Å; F469-T536 HydrophobicContact CZ-CG2 4.32Å; F469-L537 HydrophobicContact CE1-CB 4.14Å; F469-L537 VanDerWaalsContact CE1-N 3.32Å; F469-L537 WeakPolarHBondContact CE1-O 3.11Å; F469-L537 VanDerWaalsContact CZ-O 3.29Å; F469-L537 WeakPolarHBondContact CZ-O 3.37Å |
| 470 | S | 88.5 | Confident | 73.8 | Confident | 33 Ų | 33 | 58.7 Ų | 58.7 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 149.2 | -178 | 72.8 | 0 | 0 | 0 | 0 | 113.6 | R452 V453 | R452-S470 PolarHBondContact NH1-OG 2.9Å; V453-S470 CarbonylContact O-C 3.55Å; V453-S470 WeakPolarHBondContact O-CA 3.36Å; V453-S470 WeakPolarHBondContact O-CB 3.38Å |
| 471 | V | 90.7 | Very high | 75.3 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 9% | 0.085 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 138.7 | 168.7 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | R452 V453 F469 F480 Y529 L537 | R452-V471 WeakPolarHBondContact CA-O 3.36Å; R452-V471 WeakPolarHBondContact CG-O 3.41Å; V453-V471 PolarHBondContact N-O 3.09Å; V453-V471 PolarHBondContact O-N 2.85Å; F469-V471 HydrophobicContact CE1-CG2 4Å; V471-F480 HydrophobicContact CB-CE1 4.38Å; V471-F480 HydrophobicContact CG1-CE1 4.23Å; V471-F480 HydrophobicContact CG1-CZ 4.21Å; V471-Y529 HydrophobicContact CG1-CE1 4.07Å; V471-Y529 WeakPolarHBondContact CG1-OH 3.33Å; V471-L537 HydrophobicContact CG2-CB 3.79Å; V471-L537 HydrophobicContact CG2-CD1 3.97Å |
| 472 | E | 88.5 | Confident | 77.1 | Confident | 83 Ų | 83 | 47.6 Ų | 47.6 | 39% | 0.388 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 145.4 | 178.9 | -67.8 | -179 | -158.8 | 0 | 0 | 110.7 | H450 R452 | H450-E472 IonicContact NE2-OE2 3.51Å; R452-E472 HydrophobicContact CG-CG 4.19Å; R452-E472 IonicContact CZ-OE1 3.64Å; R452-E472 VanDerWaalsContact NH1-CG 3.35Å; R452-E472 IonicContact NH1-OE1 3.54Å; R452-E472 PolarHBondContact NH1-OE1 2.83Å; R452-E472 IonicContact NH2-OE1 2.73Å; R452-E472 PolarHBondContact NH2-OE1 3.23Å |
| 473 | G | 85 | Confident | 79 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | trans | -63.2 | 146.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G451 F480 | G451-G473 PolarHBondContact O-N 2.9Å; G473-F480 VanDerWaalsContact CA-CB 3.44Å | ||
| 474 | T | 83 | Confident | 81.2 | Confident | 89 Ų | 89 | 42.6 Ų | 42.6 | 55% | 0.546 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -82.1 | -20.5 | -171.9 | 69.7 | 0 | 0 | 0 | 0 | 114 | E478 Y527 | T474-E478 PolarHBondContact N-OE2 2.94Å; T474-Y527 HydrophobicContact CG2-CE1 4.27Å; T474-Y527 PolarHBondContact OG1-OH 3.24Å; T474-Y527 VanDerWaalsContact OG1-OH 3.06Å |
| 475 | R | 80.5 | Confident | 83.2 | Confident | 67 Ų | 67 | 38.3 Ų | 38.3 | 25% | 0.253 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -120.1 | 160 | -177.6 | -58.6 | 170.6 | 162 | -179.1 | -7.8 | 112.7 | H450 E478 R525 | H450-R475 WeakPolarHBondContact CA-O 3.36Å; H450-R475 WeakPolarHBondContact CB-O 3.32Å; R475-E478 HydrophobicContact CB-CB 4.02Å; R475-E478 HydrophobicContact CB-CG 3.93Å; R475-E478 WeakPolarHBondContact CB-OE2 3.4Å; R475-E478 PolarHBondContact N-OE2 3.03Å; R475-R525 VanDerWaalsContact NH2-NH2 3.14Å |
| 476 | K | 78 | Confident | 85 | Confident | 85 Ų | 85 | 38.5 Ų | 38.5 | 37% | 0.37 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 144 | 170.7 | -49.2 | -175.3 | -171.6 | -160.7 | 0 | 109.5 | Y446 N447 E478 | Y446-K476 VanDerWaalsContact O-CD 3.25Å; Y446-K476 WeakPolarHBondContact O-CD 3.24Å; Y446-K476 WeakPolarHBondContact O-CE 3.34Å; Y446-K476 PolarHBondContact O-NZ 3.46Å; N447-K476 VanDerWaalsContact OD1-CE 3.24Å; N447-K476 WeakPolarHBondContact OD1-CE 3.19Å; N447-K476 WeakPolarHBondContact OD1-CG 3.49Å; K476-E478 PolarHBondContact O-N 2.77Å; K476-E478 VanDerWaalsContact O-N 3.13Å |
| 477 | N | 80.6 | Confident | 86.8 | Confident | 30 Ų | 30 | 35.3 Ų | 35.3 | 16% | 0.16 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 33.4 | -179.2 | -60.4 | -40 | 0 | 0 | 0 | 114.1 | P448 N449 F479 A504 Q506 | P448-N477 PolarHBondContact O-N 3.45Å; P448-N477 PolarHBondContact O-OD1 3.09Å; N449-N477 PolarHBondContact ND2-OD1 3.2Å; N449-N477 CarbonylContact O-C 3.59Å; N449-N477 WeakPolarHBondContact O-CA 3.38Å; N449-N477 PolarHBondContact O-N 3.39Å; N477-F479 HydrophobicContact CB-CE2 4.36Å; N477-F479 WeakPolarHBondContact O-CD2 3.4Å; N477-F479 WeakPolarHBondContact O-CE2 3Å; N477-A504 WeakPolarHBondContact O-CA 3.48Å; N477-Q506 PolarHBondContact O-NE2 3.23Å |
| 478 | E | 86.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -86.5 | -24.3 | 175 | -136.5 | -173.3 | 167 | 0 | 0 | 111.5 | N449 T474 R475 K476 A502 A504 R525 Y527 | N449-E478 PolarHBondContact O-N 3.28Å; T474-E478 PolarHBondContact N-OE2 2.94Å; R475-E478 HydrophobicContact CB-CB 4.02Å; R475-E478 HydrophobicContact CB-CG 3.93Å; R475-E478 WeakPolarHBondContact CB-OE2 3.4Å; R475-E478 PolarHBondContact N-OE2 3.03Å; K476-E478 PolarHBondContact O-N 2.77Å; K476-E478 VanDerWaalsContact O-N 3.13Å; E478-A502 HydrophobicContact CB-CB 3.97Å; E478-A502 HydrophobicContact CG-CB 3.56Å; E478-A502 CarbonylContact O-C 3.5Å; E478-A502 WeakPolarHBondContact O-CA 3.07Å; E478-A502 WeakPolarHBondContact O-CB 3.37Å; E478-A504 PolarHBondContact O-N 3.15Å; E478-R525 VanDerWaalsContact OE1-CD 3.28Å; E478-R525 WeakPolarHBondContact OE1-CD 3.36Å; E478-Y527 VanDerWaalsContact CD-OH 3.27Å; E478-Y527 PolarHBondContact OE1-OH 3.33Å; E478-Y527 PolarHBondContact OE2-OH 3.16Å | ||
| 479 | F | 91.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 34.1 Ų | 34.1 | 11% | 0.105 | 17% | 0.172 | C | C | . | . | trans | 57.9 | 45.1 | -175.7 | -53.2 | -90.8 | 0 | 0 | 0 | 112.9 | P438 F439 N449 N477 G481 Y482 I505 | P438-F479 HydrophobicContact CB-CB 4.2Å; F439-F479 AromaticContact CD1-CD1 3.77Å; F439-F479 HydrophobicContact CD1-CD1 3.77Å; F439-F479 AromaticContact CD1-CE1 3.86Å; F439-F479 HydrophobicContact CD1-CE1 3.86Å; F439-F479 AromaticContact CE1-CD1 3.74Å; F439-F479 HydrophobicContact CE1-CD1 3.74Å; F439-F479 AromaticContact CE1-CE1 3.89Å; F439-F479 HydrophobicContact CE1-CE1 3.89Å; N449-F479 HydrophobicContact CB-CD1 3.89Å; N449-F479 HydrophobicContact CB-CE1 3.58Å; N449-F479 HydrophobicContact CB-CZ 3.99Å; N449-F479 PolarHBondContact O-N 2.72Å; N477-F479 HydrophobicContact CB-CE2 4.36Å; N477-F479 WeakPolarHBondContact O-CD2 3.4Å; N477-F479 WeakPolarHBondContact O-CE2 3Å; F479-G481 PolarHBondContact O-N 2.84Å; F479-Y482 WeakPolarHBondContact O-CB 2.96Å; F479-Y482 PolarHBondContact O-N 2.79Å; F479-Y482 VanDerWaalsContact O-N 3.17Å; F479-I505 HydrophobicContact CD2-CB 4.31Å; F479-I505 HydrophobicContact CE2-CB 4.21Å; F479-I505 VanDerWaalsContact CE2-O 3.24Å; F479-I505 WeakPolarHBondContact CE2-O 3.44Å | ||
| 480 | F | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 131.1 | 179.2 | 179 | -99.5 | 0 | 0 | 0 | 111.8 | P438 H450 G451 R452 V453 V471 G473 I500 A502 Y527 Y529 | P438-F480 WeakPolarHBondContact CA-O 3.31Å; H450-F480 WeakPolarHBondContact O-CB 3.27Å; H450-F480 PolarHBondContact O-N 3.45Å; G451-F480 CarbonylContact C-O 3.52Å; G451-F480 VanDerWaalsContact C-O 3.31Å; G451-F480 VanDerWaalsContact CA-O 3.25Å; G451-F480 WeakPolarHBondContact CA-O 3.42Å; R452-F480 PolarHBondContact N-O 3.43Å; V453-F480 HydrophobicContact CB-CE1 4.02Å; V453-F480 HydrophobicContact CG2-CD1 4.09Å; V453-F480 HydrophobicContact CG2-CE1 3.74Å; V453-F480 HydrophobicContact CG2-CZ 4.41Å; V471-F480 HydrophobicContact CB-CE1 4.38Å; V471-F480 HydrophobicContact CG1-CE1 4.23Å; V471-F480 HydrophobicContact CG1-CZ 4.21Å; G473-F480 VanDerWaalsContact CA-CB 3.44Å; F480-I500 HydrophobicContact CD1-CG2 4.46Å; F480-I500 HydrophobicContact CD2-CG2 3.94Å; F480-I500 HydrophobicContact CE1-CG2 4.09Å; F480-I500 HydrophobicContact CE2-CB 4Å; F480-I500 HydrophobicContact CE2-CG2 3.5Å; F480-I500 HydrophobicContact CG-CG2 4.4Å; F480-I500 HydrophobicContact CZ-CB 4.14Å; F480-I500 HydrophobicContact CZ-CD1 3.96Å; F480-I500 HydrophobicContact CZ-CG2 3.6Å; F480-A502 HydrophobicContact CB-CB 4.06Å; F480-A502 HydrophobicContact CD2-CB 4.22Å; F480-Y527 AromaticContact CD2-CD2 3.9Å; F480-Y527 HydrophobicContact CD2-CD2 3.9Å; F480-Y527 HydrophobicContact CD2-CE2 4.13Å; F480-Y527 HydrophobicContact CD2-CG 4.4Å; F480-Y527 HydrophobicContact CE2-CD1 4.48Å; F480-Y527 AromaticContact CE2-CD2 3.85Å; F480-Y527 HydrophobicContact CE2-CD2 3.85Å; F480-Y527 HydrophobicContact CE2-CE2 4.44Å; F480-Y527 AromaticContact CE2-CG 3.91Å; F480-Y527 HydrophobicContact CE2-CG 3.91Å; F480-Y529 AromaticContact CE2-CE2 3.86Å; F480-Y529 HydrophobicContact CE2-CE2 3.86Å; F480-Y529 HydrophobicContact CZ-CD2 4.5Å; F480-Y529 AromaticContact CZ-CE2 3.68Å; F480-Y529 HydrophobicContact CZ-CE2 3.68Å |
| 481 | G | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 23.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T411 V453 F479 S501 | T411-G481 WeakPolarHBondContact CG2-O 3.33Å; V453-G481 VanDerWaalsContact CG2-CA 3.44Å; F479-G481 PolarHBondContact O-N 2.84Å; G481-S501 PolarHBondContact N-O 2.69Å |
| 482 | Y | 94.8 | Very high | 87.8 | Confident | 53 Ų | 53 | 29.7 Ų | 29.7 | 21% | 0.208 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -69.7 | -38.6 | 172.3 | -172 | -88.1 | 0 | 0 | 0 | 111.9 | F410 P438 F479 S501 P503 I505 I558 | F410-Y482 HydrophobicContact CE1-CD1 4.46Å; F410-Y482 AromaticContact CE1-CD2 3.79Å; F410-Y482 HydrophobicContact CE1-CD2 3.79Å; F410-Y482 HydrophobicContact CE1-CE1 4.32Å; F410-Y482 AromaticContact CE1-CE2 3.65Å; F410-Y482 HydrophobicContact CE1-CE2 3.65Å; F410-Y482 HydrophobicContact CE1-CG 4.2Å; F410-Y482 AromaticContact CE1-CZ 3.92Å; F410-Y482 HydrophobicContact CZ-CD2 4.26Å; F410-Y482 AromaticContact CZ-CE2 3.67Å; F410-Y482 HydrophobicContact CZ-CE2 3.67Å; F410-Y482 AromaticContact CZ-CZ 3.89Å; P438-Y482 HydrophobicContact CB-CD2 4.45Å; P438-Y482 HydrophobicContact CG-CD2 4.49Å; F479-Y482 WeakPolarHBondContact O-CB 2.96Å; F479-Y482 PolarHBondContact O-N 2.79Å; F479-Y482 VanDerWaalsContact O-N 3.17Å; Y482-S501 PolarHBondContact N-O 3.5Å; Y482-P503 HydrophobicContact CD1-CG 3.99Å; Y482-P503 HydrophobicContact CD2-CG 4.33Å; Y482-P503 HydrophobicContact CG-CG 3.74Å; Y482-I505 HydrophobicContact CD2-CD1 3.82Å; Y482-I505 HydrophobicContact CE1-CD1 4.38Å; Y482-I505 HydrophobicContact CE2-CD1 3.46Å; Y482-I505 VanDerWaalsContact CE2-CD1 3.46Å; Y482-I505 HydrophobicContact CG-CD1 4.41Å; Y482-I558 HydrophobicContact CD1-CD1 4.15Å; Y482-I558 HydrophobicContact CE1-CD1 3.45Å; Y482-I558 VanDerWaalsContact CE1-CD1 3.45Å; Y482-I558 HydrophobicContact CE1-CG1 4.16Å |
| 483 | S | 95.1 | Very high | 87.3 | Confident | 21 Ų | 21 | 28.8 Ų | 28.8 | 15% | 0.147 | 15% | 0.148 | C | C | . | . | trans | -137.5 | 143.8 | 170.2 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | S501 I558 | S483-S501 WeakPolarHBondContact CB-OG 3.3Å; S483-S501 PolarHBondContact N-OG 3.47Å; S483-S501 VanDerWaalsContact N-OG 3.09Å; S483-S501 PolarHBondContact O-N 3.18Å; S483-S501 PolarHBondContact O-OG 2.98Å; S483-I558 PolarHBondContact OG-O 3.41Å | ||
| 484 | I | 96.9 | Very high | 87 | Confident | 9 Ų | 9 | 29.9 Ų | 29.9 | 5% | 0.046 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.1 | 176.5 | -57 | 174.8 | 0 | 0 | 0 | 106.8 | T411 E413 L434 V453 A499 I500 | T411-I484 HydrophobicContact CG2-CD1 3.9Å; T411-I484 HydrophobicContact CG2-CG1 3.82Å; E413-I484 HydrophobicContact CB-CB 4.25Å; E413-I484 HydrophobicContact CB-CG2 3.91Å; L434-I484 HydrophobicContact CB-CD1 4.15Å; L434-I484 HydrophobicContact CB-CG2 4.29Å; L434-I484 HydrophobicContact CD1-CG2 4.16Å; V453-I484 HydrophobicContact CG1-CD1 3.71Å; V453-I484 HydrophobicContact CG2-CD1 3.95Å; V453-I484 HydrophobicContact CG2-CG1 4.48Å; I484-A499 WeakPolarHBondContact CA-O 3.36Å; I484-I500 HydrophobicContact CG1-CG1 4.39Å; I484-I500 HydrophobicContact CG1-CG2 4.45Å; I484-I500 HydrophobicContact CG2-CG1 4.45Å |
| 485 | A | 95.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | V498 A499 L560 S561 | A485-V498 WeakPolarHBondContact O-CA 3.41Å; A485-A499 PolarHBondContact N-O 3.04Å; A485-A499 PolarHBondContact O-N 3.18Å; A485-L560 HydrophobicContact CB-CB 3.68Å; A485-L560 HydrophobicContact CB-CD1 4.11Å; A485-S561 VanDerWaalsContact CB-O 3.31Å; A485-S561 WeakPolarHBondContact CB-O 3.07Å |
| 486 | R | 93.6 | Very high | 87.5 | Confident | 65 Ų | 65 | 23.7 Ų | 23.7 | 25% | 0.245 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 122.4 | 170.6 | -174.2 | 175.6 | 75.3 | -146 | 6.2 | 109.8 | E413 T414 V415 D496 R562 G563 | E413-R486 HydrophobicContact CG-CB 4.28Å; T414-R486 WeakPolarHBondContact O-CD 3.49Å; T414-R486 PolarHBondContact O-NH1 2.54Å; V415-R486 HydrophobicContact CG1-CG 4.23Å; R486-D496 WeakPolarHBondContact CD-OD2 3.24Å; R486-D496 HydrophobicContact CG-CB 3.86Å; R486-R562 CarbonylContact O-C 3.58Å; R486-R562 WeakPolarHBondContact O-CA 3.29Å; R486-G563 PolarHBondContact O-N 2.98Å |
| 487 | L | 91.9 | Very high | 88.2 | Confident | 6 Ų | 6 | 19.6 Ų | 19.6 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -29.1 | 176.4 | -60.3 | 173.3 | 0 | 0 | 0 | 111.5 | F39 I490 D497 A499 I528 P572 F574 | F39-L487 HydrophobicContact CE2-CD1 3.84Å; F39-L487 HydrophobicContact CZ-CD1 3.98Å; L487-I490 HydrophobicContact CB-CG2 4.14Å; L487-D497 PolarHBondContact N-O 3.41Å; L487-A499 HydrophobicContact CD1-CB 4.04Å; L487-A499 HydrophobicContact CD2-CB 3.98Å; L487-A499 HydrophobicContact CG-CB 4.11Å; L487-I528 HydrophobicContact CD1-CD1 3.81Å; L487-I528 HydrophobicContact CD1-CG2 4.06Å; L487-P572 WeakPolarHBondContact O-CB 3.09Å; L487-P572 WeakPolarHBondContact O-CG 3.47Å; L487-F574 HydrophobicContact CD2-CB 3.95Å; L487-F574 HydrophobicContact CD2-CD1 3.84Å; L487-F574 HydrophobicContact CD2-CD2 4.2Å; L487-F574 HydrophobicContact CD2-CE1 4.38Å; L487-F574 HydrophobicContact CD2-CG 3.74Å |
| 488 | G | 87.6 | Confident | 88.9 | Confident | 16 Ų | 16 | 18.2 Ų | 18.2 | 17% | 0.165 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.3 | 176.5 | -164.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I490 D497 | G488-I490 PolarHBondContact O-N 3.01Å; G488-D497 WeakPolarHBondContact O-CB 3.4Å; G488-D497 PolarHBondContact O-N 2.86Å |
| 489 | D | 86.7 | Confident | 89.4 | Confident | 31 Ų | 31 | 18.2 Ų | 18.2 | 17% | 0.166 | 10% | 0.103 | C | C | . | . | trans | -59.5 | 117 | 170 | 175.9 | 1.2 | 0 | 0 | 0 | 109.3 | D491 G492 D493 G494 I495 H629 | D489-D491 PolarHBondContact OD1-N 3.41Å; D489-G492 WeakPolarHBondContact OD1-CA 3.3Å; D489-G492 PolarHBondContact OD1-N 2.86Å; D489-G492 WeakPolarHBondContact OD2-CA 3.27Å; D489-D493 PolarHBondContact OD1-N 3.47Å; D489-G494 WeakPolarHBondContact OD2-CA 3.15Å; D489-G494 PolarHBondContact OD2-N 2.96Å; D489-G494 VanDerWaalsContact OD2-N 3.13Å; D489-I495 WeakPolarHBondContact CA-O 3.46Å; D489-I495 VanDerWaalsContact CB-O 3.31Å; D489-I495 WeakPolarHBondContact CB-O 3.38Å; D489-H629 PolarHBondContact O-CE1 3.21Å; D489-H629 PolarHBondContact O-NE2 2.95Å; D489-H629 IonicContact OD1-CE1 3.15Å; D489-H629 IonicContact OD2-CE1 2.78Å; D489-H629 IonicContact OD2-ND1 3.21Å | ||
| 490 | I | 86 | Confident | 89.7 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -111.9 | 6.5 | 178.8 | 69 | 155.6 | 0 | 0 | 0 | 113.7 | I38 F39 L487 G488 D497 I528 L542 W571 P572 M590 | I38-I490 HydrophobicContact CG2-CD1 4.36Å; F39-I490 HydrophobicContact CE2-CD1 3.99Å; F39-I490 HydrophobicContact CE2-CG2 4.38Å; F39-I490 HydrophobicContact CZ-CG2 4.06Å; L487-I490 HydrophobicContact CB-CG2 4.14Å; G488-I490 PolarHBondContact O-N 3.01Å; I490-D497 HydrophobicContact CG1-CB 3.79Å; I490-D497 WeakPolarHBondContact CG1-OD2 3.49Å; I490-D497 PolarHBondContact N-OD2 3.03Å; I490-I528 HydrophobicContact CD1-CG2 3.6Å; I490-L542 HydrophobicContact CD1-CD1 3.88Å; I490-L542 HydrophobicContact CG1-CD1 4.35Å; I490-W571 WeakPolarHBondContact O-CZ3 2.97Å; I490-P572 HydrophobicContact CG2-CG 3.74Å; I490-M590 HydrophobicContact CB-CE 4.29Å; I490-M590 HydrophobicContact CB-SD 3.87Å; I490-M590 HydrophobicContact CG2-SD 4.23Å; I490-M590 WeakPolarHBondContact O-CE 3.41Å |
| 491 | D | 79.3 | Confident | 89.8 | Confident | 23 Ų | 23 | 17 Ų | 17 | 12% | 0.123 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -132.8 | -4.6 | 176.7 | 76.4 | 6.1 | 0 | 0 | 0 | 115.2 | D489 D493 R530 L628 | D489-D491 PolarHBondContact OD1-N 3.41Å; D491-D493 VanDerWaalsContact OD1-CB 3.3Å; D491-D493 WeakPolarHBondContact OD1-CB 3.19Å; D491-D493 PolarHBondContact OD1-N 3.08Å; D491-R530 IonicContact OD2-CZ 2.72Å; D491-R530 IonicContact OD2-NE 2.71Å; D491-R530 PolarHBondContact OD2-NE 3.2Å; D491-R530 IonicContact OD2-NH2 2.75Å; D491-R530 PolarHBondContact OD2-NH2 3.02Å; D491-L628 WeakPolarHBondContact O-CB 3.4Å; D491-L628 WeakPolarHBondContact O-CD1 3.41Å |
| 492 | G | 75.2 | Confident | 89.8 | Confident | 8 Ų | 8 | 17 Ų | 17 | 8% | 0.082 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 86.7 | 6.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D489 G494 R631 | D489-G492 WeakPolarHBondContact OD1-CA 3.3Å; D489-G492 PolarHBondContact OD1-N 2.86Å; D489-G492 WeakPolarHBondContact OD2-CA 3.27Å; G492-G494 VanDerWaalsContact C-N 3.25Å; G492-G494 PolarHBondContact O-N 3.19Å; G492-R631 PolarHBondContact O-NH2 3.23Å |
| 493 | D | 78.9 | Confident | 89.7 | Confident | 64 Ų | 64 | 14.5 Ų | 14.5 | 34% | 0.342 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -69.6 | -23.3 | 179.7 | 92.1 | -9.8 | 0 | 0 | 0 | 113.1 | D489 D491 I495 R631 | D489-D493 PolarHBondContact OD1-N 3.47Å; D491-D493 VanDerWaalsContact OD1-CB 3.3Å; D491-D493 WeakPolarHBondContact OD1-CB 3.19Å; D491-D493 PolarHBondContact OD1-N 3.08Å; D493-I495 WeakPolarHBondContact OD1-CB 3.47Å; D493-I495 VanDerWaalsContact OD1-CG1 3.26Å; D493-I495 WeakPolarHBondContact OD1-CG1 3.31Å; D493-I495 PolarHBondContact OD1-N 2.82Å; D493-R631 PolarHBondContact O-NH2 3.18Å |
| 494 | G | 78.6 | Confident | 89.4 | Confident | 33 Ų | 33 | 13.5 Ų | 13.5 | 34% | 0.34 | 8% | 0.081 | S | C | . | . | S | Bend | trans | 99.2 | 12 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D489 G492 | D489-G494 WeakPolarHBondContact OD2-CA 3.15Å; D489-G494 PolarHBondContact OD2-N 2.96Å; D489-G494 VanDerWaalsContact OD2-N 3.13Å; G492-G494 VanDerWaalsContact C-N 3.25Å; G492-G494 PolarHBondContact O-N 3.19Å |
| 495 | I | 85.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -108.7 | 146 | 174.9 | -51.2 | 179.9 | 0 | 0 | 0 | 108.6 | N416 I417 P418 D489 D493 V531 S533 | N416-I495 WeakPolarHBondContact O-CG2 3.4Å; I417-I495 HydrophobicContact CG1-CG2 4.11Å; P418-I495 HydrophobicContact CG-CG1 4.23Å; D489-I495 WeakPolarHBondContact CA-O 3.46Å; D489-I495 VanDerWaalsContact CB-O 3.31Å; D489-I495 WeakPolarHBondContact CB-O 3.38Å; D493-I495 WeakPolarHBondContact OD1-CB 3.47Å; D493-I495 VanDerWaalsContact OD1-CG1 3.26Å; D493-I495 WeakPolarHBondContact OD1-CG1 3.31Å; D493-I495 PolarHBondContact OD1-N 2.82Å; I495-V531 HydrophobicContact CG2-CB 3.82Å; I495-V531 HydrophobicContact CG2-CG1 3.77Å; I495-V531 WeakPolarHBondContact CG2-O 3.43Å; I495-S533 VanDerWaalsContact CD1-N 3.28Å |
| 496 | D | 88.6 | Confident | 87.3 | Confident | 24 Ų | 24 | 17.4 Ų | 17.4 | 13% | 0.128 | 10% | 0.1 | C | C | . | . | trans | -80 | 126.4 | 176.5 | -63.4 | -56 | 0 | 0 | 0 | 112.1 | V415 N416 R486 V531 | V415-D496 HydrophobicContact CB-CB 4.06Å; V415-D496 HydrophobicContact CG1-CB 4.1Å; N416-D496 VanDerWaalsContact CB-OD2 3.23Å; N416-D496 WeakPolarHBondContact CB-OD2 3.39Å; N416-D496 PolarHBondContact N-OD2 2.97Å; N416-D496 PolarHBondContact ND2-OD2 3.11Å; N416-D496 PolarHBondContact O-N 2.88Å; R486-D496 WeakPolarHBondContact CD-OD2 3.24Å; R486-D496 HydrophobicContact CG-CB 3.86Å; D496-V531 WeakPolarHBondContact O-CB 3.2Å; D496-V531 WeakPolarHBondContact O-CG2 3.25Å | ||
| 497 | D | 92.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 166.6 | 174.4 | -62 | -52.3 | 0 | 0 | 0 | 113.3 | L487 G488 I490 R530 V531 | L487-D497 PolarHBondContact N-O 3.41Å; G488-D497 WeakPolarHBondContact O-CB 3.4Å; G488-D497 PolarHBondContact O-N 2.86Å; I490-D497 HydrophobicContact CG1-CB 3.79Å; I490-D497 WeakPolarHBondContact CG1-OD2 3.49Å; I490-D497 PolarHBondContact N-OD2 3.03Å; D497-R530 WeakPolarHBondContact OD1-CA 3.23Å; D497-V531 PolarHBondContact OD1-N 2.94Å; D497-V531 VanDerWaalsContact OD1-N 3.07Å |
| 498 | V | 96 | Very high | 83.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 145 | -168.3 | -61.4 | 0 | 0 | 0 | 0 | 115.5 | V415 L434 A485 I500 Y529 V531 L537 | V415-V498 HydrophobicContact CG1-CG1 3.54Å; L434-V498 HydrophobicContact CD1-CB 4.23Å; L434-V498 HydrophobicContact CD1-CG1 3.53Å; L434-V498 HydrophobicContact CD1-CG2 4.06Å; A485-V498 WeakPolarHBondContact O-CA 3.41Å; V498-I500 HydrophobicContact CG2-CD1 4.34Å; V498-I500 HydrophobicContact CG2-CG1 4.25Å; V498-Y529 PolarHBondContact N-O 3.05Å; V498-Y529 PolarHBondContact O-N 2.84Å; V498-V531 HydrophobicContact CG1-CG2 4.32Å; V498-V531 HydrophobicContact CG2-CG2 4.27Å; V498-L537 HydrophobicContact CG2-CD2 4.15Å |
| 499 | A | 96.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110 | I484 A485 L487 V526 Y527 I528 L560 F574 | I484-A499 WeakPolarHBondContact CA-O 3.36Å; A485-A499 PolarHBondContact N-O 3.04Å; A485-A499 PolarHBondContact O-N 3.18Å; L487-A499 HydrophobicContact CD1-CB 4.04Å; L487-A499 HydrophobicContact CD2-CB 3.98Å; L487-A499 HydrophobicContact CG-CB 4.11Å; A499-V526 HydrophobicContact CB-CG1 3.86Å; A499-Y527 CarbonylContact C-O 3.53Å; A499-Y527 WeakPolarHBondContact CA-O 3.46Å; A499-I528 HydrophobicContact CB-CD1 4.06Å; A499-L560 HydrophobicContact CB-CD1 4.08Å; A499-F574 HydrophobicContact CB-CE2 4.49Å |
| 500 | I | 97.5 | Very high | 79.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123 | 175.8 | -57.2 | 175 | 0 | 0 | 0 | 108.3 | V453 F480 I484 V498 Y527 Y529 L537 | V453-I500 HydrophobicContact CB-CD1 4.22Å; V453-I500 HydrophobicContact CG1-CD1 4.09Å; V453-I500 HydrophobicContact CG2-CD1 4.14Å; V453-I500 HydrophobicContact CG2-CG2 3.72Å; F480-I500 HydrophobicContact CD1-CG2 4.46Å; F480-I500 HydrophobicContact CD2-CG2 3.94Å; F480-I500 HydrophobicContact CE1-CG2 4.09Å; F480-I500 HydrophobicContact CE2-CB 4Å; F480-I500 HydrophobicContact CE2-CG2 3.5Å; F480-I500 HydrophobicContact CG-CG2 4.4Å; F480-I500 HydrophobicContact CZ-CB 4.14Å; F480-I500 HydrophobicContact CZ-CD1 3.96Å; F480-I500 HydrophobicContact CZ-CG2 3.6Å; I484-I500 HydrophobicContact CG1-CG1 4.39Å; I484-I500 HydrophobicContact CG1-CG2 4.45Å; I484-I500 HydrophobicContact CG2-CG1 4.45Å; V498-I500 HydrophobicContact CG2-CD1 4.34Å; V498-I500 HydrophobicContact CG2-CG1 4.25Å; I500-Y527 PolarHBondContact N-O 3.23Å; I500-Y527 PolarHBondContact O-N 3.33Å; I500-Y529 HydrophobicContact CD1-CD2 3.81Å; I500-Y529 HydrophobicContact CD1-CE2 4.35Å; I500-Y529 HydrophobicContact CD1-CG 4.49Å; I500-Y529 HydrophobicContact CG1-CD2 4.4Å; I500-L537 HydrophobicContact CD1-CD1 4.11Å |
| 501 | S | 95.7 | Very high | 77.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 151.4 | 178.4 | 69.9 | 0 | 0 | 0 | 0 | 113.8 | G481 Y482 S483 G557 | G481-S501 PolarHBondContact N-O 2.69Å; Y482-S501 PolarHBondContact N-O 3.5Å; S483-S501 WeakPolarHBondContact CB-OG 3.3Å; S483-S501 PolarHBondContact N-OG 3.47Å; S483-S501 VanDerWaalsContact N-OG 3.09Å; S483-S501 PolarHBondContact O-N 3.18Å; S483-S501 PolarHBondContact O-OG 2.98Å; S501-G557 WeakPolarHBondContact CB-O 3.44Å; S501-G557 PolarHBondContact OG-O 3.11Å |
| 502 | A | 94.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 83 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | E478 F480 A504 G524 R525 Y527 | E478-A502 HydrophobicContact CB-CB 3.97Å; E478-A502 HydrophobicContact CG-CB 3.56Å; E478-A502 CarbonylContact O-C 3.5Å; E478-A502 WeakPolarHBondContact O-CA 3.07Å; E478-A502 WeakPolarHBondContact O-CB 3.37Å; F480-A502 HydrophobicContact CB-CB 4.06Å; F480-A502 HydrophobicContact CD2-CB 4.22Å; A502-A504 VanDerWaalsContact C-N 3.25Å; A502-A504 PolarHBondContact O-N 3.04Å; A502-G524 WeakPolarHBondContact O-CA 3.43Å; A502-R525 PolarHBondContact N-O 3.41Å; A502-R525 PolarHBondContact O-N 2.65Å; A502-Y527 HydrophobicContact CB-CD2 4.34Å; A502-Y527 HydrophobicContact CB-CE2 3.79Å |
| 503 | P | 92.7 | Very high | 73.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -70.5 | -12.7 | -169.1 | 24.1 | -32.3 | 0 | 0 | 0 | 115 | Y482 I505 G524 S555 F556 | Y482-P503 HydrophobicContact CD1-CG 3.99Å; Y482-P503 HydrophobicContact CD2-CG 4.33Å; Y482-P503 HydrophobicContact CG-CG 3.74Å; P503-I505 HydrophobicContact CB-CD1 4.49Å; P503-I505 HydrophobicContact CB-CG1 3.96Å; P503-I505 HydrophobicContact CG-CD1 3.9Å; P503-I505 HydrophobicContact CG-CG1 3.82Å; P503-I505 PolarHBondContact O-N 2.92Å; P503-G524 WeakPolarHBondContact O-CA 3.48Å; P503-S555 VanDerWaalsContact O-CA 3.25Å; P503-S555 WeakPolarHBondContact O-CA 3.24Å; P503-F556 WeakPolarHBondContact CA-O 3.45Å | ||
| 504 | A | 87.8 | Confident | 71.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | 53.1 | 49.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N477 E478 A502 Q506 H522 | N477-A504 WeakPolarHBondContact O-CA 3.48Å; E478-A504 PolarHBondContact O-N 3.15Å; A502-A504 VanDerWaalsContact C-N 3.25Å; A502-A504 PolarHBondContact O-N 3.04Å; A504-Q506 WeakPolarHBondContact O-CG 3.16Å; A504-Q506 PolarHBondContact O-N 2.68Å; A504-H522 HydrophobicContact CB-CB 4.11Å | ||
| 505 | I | 78.4 | Confident | 70.1 | Confident | 59 Ų | 59 | 64.9 Ų | 64.9 | 30% | 0.303 | 33% | 0.327 | S | S | . | . | trans | -63.9 | 106 | -176.2 | -57.9 | 166.4 | 0 | 0 | 0 | 110 | F479 Y482 P503 I558 | F479-I505 HydrophobicContact CD2-CB 4.31Å; F479-I505 HydrophobicContact CE2-CB 4.21Å; F479-I505 VanDerWaalsContact CE2-O 3.24Å; F479-I505 WeakPolarHBondContact CE2-O 3.44Å; Y482-I505 HydrophobicContact CD2-CD1 3.82Å; Y482-I505 HydrophobicContact CE1-CD1 4.38Å; Y482-I505 HydrophobicContact CE2-CD1 3.46Å; Y482-I505 VanDerWaalsContact CE2-CD1 3.46Å; Y482-I505 HydrophobicContact CG-CD1 4.41Å; P503-I505 HydrophobicContact CB-CD1 4.49Å; P503-I505 HydrophobicContact CB-CG1 3.96Å; P503-I505 HydrophobicContact CG-CD1 3.9Å; P503-I505 HydrophobicContact CG-CG1 3.82Å; P503-I505 PolarHBondContact O-N 2.92Å; I505-I558 HydrophobicContact CD1-CD1 3.58Å; I505-I558 HydrophobicContact CG1-CD1 4.07Å | ||
| 506 | Q | 70.2 | Confident | 68.1 | Low | 34 Ų | 34 | 72.4 Ų | 72.4 | 16% | 0.159 | 37% | 0.367 | C | S | . | . | trans | -138.7 | 139.2 | -177.4 | -63.7 | 179 | 24.9 | 0 | 0 | 109.7 | N477 A504 | N477-Q506 PolarHBondContact O-NE2 3.23Å; A504-Q506 WeakPolarHBondContact O-CG 3.16Å; A504-Q506 PolarHBondContact O-N 2.68Å | ||
| 507 | S | 55.8 | Low | 66 | Low | 80 Ų | 80 | 76.2 Ų | 76.2 | 56% | 0.559 | 39% | 0.387 | S | S | * | . | trans | -77.3 | 133 | 175.9 | 108.1 | 0 | 0 | 0 | 0 | 110.2 | K509 | S507-K509 PolarHBondContact O-N 3.08Å; S507-K509 PolarHBondContact OG-N 2.7Å | ||
| 508 | K | 52.6 | Low | 63.8 | Low | 152 Ų | 152 | 83.9 Ų | 83.9 | 66% | 0.661 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -5.8 | 172.6 | -79.9 | -174.7 | 172.3 | -177.9 | 0 | 114.7 | E551 | K508-E551 IonicContact NZ-OE1 3.47Å; K508-E551 PolarHBondContact NZ-OE1 2.86Å |
| 509 | K | 44.7 | Very low | 61.8 | Low | 189 Ų | 189 | 86.2 Ų | 86.2 | 82% | 0.822 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 18.5 | -170.3 | -102.1 | -171.5 | 175.6 | -173.9 | 0 | 114.8 | S507 E511 | S507-K509 PolarHBondContact O-N 3.08Å; S507-K509 PolarHBondContact OG-N 2.7Å; K509-E511 PolarHBondContact O-N 3.29Å |
| 510 | M | 42.1 | Very low | 59.8 | Low | 106 Ų | 106 | 89.4 Ų | 89.4 | 52% | 0.522 | 46% | 0.46 | S | S | . | . | trans | -83.2 | 61.5 | 177.2 | -154.4 | 154.6 | 65.3 | 0 | 0 | 111.9 | L512 I519 | M510-L512 HydrophobicContact CE-CD1 4.26Å; M510-L512 HydrophobicContact CG-CD1 3.9Å; M510-L512 HydrophobicContact CG-CG 3.96Å; M510-L512 PolarHBondContact O-N 2.69Å; M510-L512 HydrophobicContact SD-CD1 4.44Å; M510-I519 HydrophobicContact CE-CD1 3.53Å | ||
| 511 | E | 38.4 | Very low | 58.1 | Low | 188 Ų | 188 | 93.2 Ų | 93.2 | 88% | 0.879 | 48% | 0.48 | S | S | * | . | trans | -66.7 | 84.8 | 157.9 | -73.1 | 178.7 | 177 | 0 | 0 | 107.7 | K509 P513 | K509-E511 PolarHBondContact O-N 3.29Å; E511-P513 WeakPolarHBondContact O-CD 3.48Å | ||
| 512 | L | 42.7 | Very low | 57.1 | Low | 77 Ų | 77 | 95 Ų | 95 | 40% | 0.403 | 49% | 0.489 | S | S | . | . | trans | -65.2 | 121.3 | 172.7 | -88.4 | 142.6 | 0 | 0 | 0 | 108.8 | M510 N514 L517 I519 | M510-L512 HydrophobicContact CE-CD1 4.26Å; M510-L512 HydrophobicContact CG-CD1 3.9Å; M510-L512 HydrophobicContact CG-CG 3.96Å; M510-L512 PolarHBondContact O-N 2.69Å; M510-L512 HydrophobicContact SD-CD1 4.44Å; L512-N514 PolarHBondContact O-N 2.91Å; L512-L517 HydrophobicContact CD1-CB 4.39Å; L512-L517 HydrophobicContact CD1-CD2 4.03Å; L512-L517 HydrophobicContact CD2-CD2 4.09Å; L512-I519 HydrophobicContact CD1-CD1 4.11Å | ||
| 513 | P | 36.8 | Very low | 56.7 | Low | 119 Ų | 119 | 95.8 Ų | 95.8 | 77% | 0.773 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -79.7 | 36.5 | -174.9 | 33.7 | -37.1 | 0 | 0 | 0 | 113.1 | E511 | E511-P513 WeakPolarHBondContact O-CD 3.48Š|
| 514 | N | 41.2 | Very low | 56.5 | Low | 136 Ų | 136 | 95.8 Ų | 95.8 | 73% | 0.727 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -158.5 | 125.5 | 174.5 | -82 | -54.1 | 0 | 0 | 0 | 110.4 | L512 N516 | L512-N514 PolarHBondContact O-N 2.91Å; N514-N516 PolarHBondContact O-N 3.14Å |
| 515 | E | 42.4 | Very low | 56.7 | Low | 198 Ų | 198 | 97.4 Ų | 97.4 | 93% | 0.925 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 8.3 | -165.5 | -64.8 | -176.7 | 125.7 | 0 | 0 | 117.4 | ||
| 516 | N | 42.3 | Very low | 57.5 | Low | 158 Ų | 158 | 94.6 Ų | 94.6 | 85% | 0.845 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 16.3 | -166.3 | -74.8 | -25.8 | 0 | 0 | 0 | 116 | N514 | N514-N516 PolarHBondContact O-N 3.14Š|
| 517 | L | 45 | Very low | 58.7 | Low | 105 Ų | 105 | 93 Ų | 93 | 55% | 0.55 | 48% | 0.479 | S | S | . | . | trans | -122.2 | 80.1 | -178.5 | -156.9 | 75.6 | 0 | 0 | 0 | 113.3 | L512 I519 | L512-L517 HydrophobicContact CD1-CB 4.39Å; L512-L517 HydrophobicContact CD1-CD2 4.03Å; L512-L517 HydrophobicContact CD2-CD2 4.09Å; L517-I519 VanDerWaalsContact C-N 3.3Å; L517-I519 HydrophobicContact CD2-CD1 3.72Å; L517-I519 HydrophobicContact CD2-CG1 4.07Å; L517-I519 HydrophobicContact CG-CD1 4.27Å; L517-I519 HydrophobicContact CG-CG1 4.07Å; L517-I519 PolarHBondContact O-N 3.45Å | ||
| 518 | N | 45.7 | Very low | 60.5 | Low | 161 Ų | 161 | 89.2 Ų | 89.2 | 86% | 0.861 | 45% | 0.452 | S | S | * | . | trans | -68.7 | 79.9 | 172 | -75.9 | -21.5 | 0 | 0 | 0 | 111.6 | P520 | N518-P520 WeakPolarHBondContact O-CD 3.29Š| ||
| 519 | I | 54.3 | Low | 62.5 | Low | 48 Ų | 48 | 82.2 Ų | 82.2 | 25% | 0.246 | 42% | 0.422 | C | S | . | . | trans | -78.3 | 117.1 | 167.1 | -62.8 | 168.3 | 0 | 0 | 0 | 107.7 | M510 L512 L517 L521 | M510-I519 HydrophobicContact CE-CD1 3.53Å; L512-I519 HydrophobicContact CD1-CD1 4.11Å; L517-I519 VanDerWaalsContact C-N 3.3Å; L517-I519 HydrophobicContact CD2-CD1 3.72Å; L517-I519 HydrophobicContact CD2-CG1 4.07Å; L517-I519 HydrophobicContact CG-CD1 4.27Å; L517-I519 HydrophobicContact CG-CG1 4.07Å; L517-I519 PolarHBondContact O-N 3.45Å; I519-L521 WeakPolarHBondContact O-CD1 3.22Å; I519-L521 PolarHBondContact O-N 2.92Å; I519-L521 VanDerWaalsContact O-N 3.13Å | ||
| 520 | P | 54.2 | Low | 64.8 | Low | 67 Ų | 67 | 76.7 Ų | 76.7 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | trans | -69.1 | 113.4 | 177.2 | 28.9 | -33.7 | 0 | 0 | 0 | 109.4 | N518 | N518-P520 WeakPolarHBondContact O-CD 3.29Š| ||
| 521 | L | 63.2 | Low | 67.2 | Low | 80 Ų | 80 | 71.6 Ų | 71.6 | 42% | 0.419 | 37% | 0.371 | S | S | . | . | trans | -82.5 | 143.9 | 174.8 | -59.7 | 105.9 | 0 | 0 | 0 | 110.3 | I519 I552 | I519-L521 WeakPolarHBondContact O-CD1 3.22Å; I519-L521 PolarHBondContact O-N 2.92Å; I519-L521 VanDerWaalsContact O-N 3.13Å; L521-I552 HydrophobicContact CB-CB 4.42Å; L521-I552 HydrophobicContact CB-CD1 4.15Å; L521-I552 HydrophobicContact CB-CG1 4.05Å; L521-I552 HydrophobicContact CB-CG2 3.56Å; L521-I552 HydrophobicContact CD2-CG2 3.6Å; L521-I552 HydrophobicContact CG-CG2 4.17Å | ||
| 522 | H | 74.2 | Confident | 69.6 | Low | 37 Ų | 37 | 63.3 Ų | 63.3 | 17% | 0.171 | 33% | 0.333 | C | S | . | . | trans | -133.5 | 155.9 | -172.8 | -64.1 | -35.3 | 0 | 0 | 0 | 111.3 | A504 G553 | A504-H522 HydrophobicContact CB-CB 4.11Å; H522-G553 PolarHBondContact O-N 2.87Å; H522-G553 VanDerWaalsContact O-N 3.11Å | ||
| 523 | S | 85.4 | Confident | 71.6 | Confident | 18 Ų | 18 | 61 Ų | 61 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | trans | -86.4 | 156.2 | 163.8 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | E551 | S523-E551 WeakPolarHBondContact CB-O 3.21Š| ||
| 524 | G | 88.3 | Confident | 73.7 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -68.2 | 155.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A502 P503 D554 F556 | A502-G524 WeakPolarHBondContact O-CA 3.43Å; P503-G524 WeakPolarHBondContact O-CA 3.48Å; G524-D554 PolarHBondContact N-OD1 3.21Å; G524-F556 CarbonylContact C-O 3.55Å; G524-F556 WeakPolarHBondContact CA-O 3.37Å | ||
| 525 | R | 92.7 | Very high | 75.9 | Confident | 34 Ų | 34 | 55.6 Ų | 55.6 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 154.8 | -177.2 | -75.5 | 177.2 | 157.9 | -164.3 | -7.8 | 111.9 | R475 E478 A502 Y527 I544 I545 E546 F556 | R475-R525 VanDerWaalsContact NH2-NH2 3.14Å; E478-R525 VanDerWaalsContact OE1-CD 3.28Å; E478-R525 WeakPolarHBondContact OE1-CD 3.36Å; A502-R525 PolarHBondContact N-O 3.41Å; A502-R525 PolarHBondContact O-N 2.65Å; R525-Y527 HydrophobicContact CB-CD2 4.43Å; R525-Y527 HydrophobicContact CB-CE2 3.81Å; R525-Y527 PolarHBondContact NH1-OH 3.25Å; R525-I544 HydrophobicContact CB-CG2 4.41Å; R525-I544 HydrophobicContact CG-CG2 4.33Å; R525-I545 WeakPolarHBondContact CA-O 3.37Å; R525-E546 HydrophobicContact CG-CG 4.29Å; R525-E546 IonicContact CZ-OE1 3.51Å; R525-E546 IonicContact NE-OE1 2.91Å; R525-E546 PolarHBondContact NE-OE1 3.47Å; R525-E546 IonicContact NH2-OE1 3.29Å; R525-E546 PolarHBondContact NH2-OE1 3.44Å; R525-F556 PolarHBondContact N-O 3.14Å |
| 526 | V | 95 | Very high | 78.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.8 | 169.1 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | A499 I528 I545 F556 L560 F574 V576 | A499-V526 HydrophobicContact CB-CG1 3.86Å; V526-I528 HydrophobicContact CG1-CD1 4.47Å; V526-I545 HydrophobicContact CB-CB 4.37Å; V526-I545 PolarHBondContact N-O 3.44Å; V526-I545 PolarHBondContact O-N 3.05Å; V526-F556 HydrophobicContact CB-CE1 4.43Å; V526-F556 HydrophobicContact CG2-CD1 4.24Å; V526-F556 HydrophobicContact CG2-CE1 3.81Å; V526-L560 HydrophobicContact CG1-CD2 4.19Å; V526-L560 HydrophobicContact CG2-CD2 3.85Å; V526-F574 HydrophobicContact CG1-CE2 4.43Å; V526-V576 HydrophobicContact CG2-CG1 4.04Å; V526-V576 HydrophobicContact CG2-CG2 4.41Å |
| 527 | Y | 95.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.8 | -178.7 | -64.9 | -105.1 | 0 | 0 | 0 | 109.3 | T474 E478 F480 A499 I500 A502 R525 Y529 P541 I544 | T474-Y527 HydrophobicContact CG2-CE1 4.27Å; T474-Y527 PolarHBondContact OG1-OH 3.24Å; T474-Y527 VanDerWaalsContact OG1-OH 3.06Å; E478-Y527 VanDerWaalsContact CD-OH 3.27Å; E478-Y527 PolarHBondContact OE1-OH 3.33Å; E478-Y527 PolarHBondContact OE2-OH 3.16Å; F480-Y527 AromaticContact CD2-CD2 3.9Å; F480-Y527 HydrophobicContact CD2-CD2 3.9Å; F480-Y527 HydrophobicContact CD2-CE2 4.13Å; F480-Y527 HydrophobicContact CD2-CG 4.4Å; F480-Y527 HydrophobicContact CE2-CD1 4.48Å; F480-Y527 AromaticContact CE2-CD2 3.85Å; F480-Y527 HydrophobicContact CE2-CD2 3.85Å; F480-Y527 HydrophobicContact CE2-CE2 4.44Å; F480-Y527 AromaticContact CE2-CG 3.91Å; F480-Y527 HydrophobicContact CE2-CG 3.91Å; A499-Y527 CarbonylContact C-O 3.53Å; A499-Y527 WeakPolarHBondContact CA-O 3.46Å; I500-Y527 PolarHBondContact N-O 3.23Å; I500-Y527 PolarHBondContact O-N 3.33Å; A502-Y527 HydrophobicContact CB-CD2 4.34Å; A502-Y527 HydrophobicContact CB-CE2 3.79Å; R525-Y527 HydrophobicContact CB-CD2 4.43Å; R525-Y527 HydrophobicContact CB-CE2 3.81Å; R525-Y527 PolarHBondContact NH1-OH 3.25Å; Y527-Y529 VanDerWaalsContact CB-CE2 3.47Å; Y527-Y529 HydrophobicContact CD1-CE2 4.26Å; Y527-Y529 HydrophobicContact CG-CE2 4.17Å; Y527-P541 HydrophobicContact CD1-CB 4.23Å; Y527-P541 HydrophobicContact CD1-CG 4.07Å; Y527-I544 HydrophobicContact CD1-CD1 4.03Å; Y527-I544 HydrophobicContact CD1-CG1 3.75Å; Y527-I544 HydrophobicContact CD1-CG2 4.39Å; Y527-I544 HydrophobicContact CE1-CD1 3.62Å; Y527-I544 HydrophobicContact CE1-CG1 3.85Å; Y527-I544 HydrophobicContact CE1-CG2 4.18Å |
| 528 | I | 94.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 120.6 | 175 | -49.9 | -61.7 | 0 | 0 | 0 | 107.7 | F39 L487 I490 A499 V526 P541 L542 Q543 I545 F574 | F39-I528 HydrophobicContact CD2-CD1 4.02Å; F39-I528 HydrophobicContact CD2-CG1 4.05Å; F39-I528 HydrophobicContact CD2-CG2 4.49Å; F39-I528 HydrophobicContact CE2-CD1 4.11Å; F39-I528 HydrophobicContact CE2-CG1 4.39Å; F39-I528 HydrophobicContact CE2-CG2 4.17Å; L487-I528 HydrophobicContact CD1-CD1 3.81Å; L487-I528 HydrophobicContact CD1-CG2 4.06Å; I490-I528 HydrophobicContact CD1-CG2 3.6Å; A499-I528 HydrophobicContact CB-CD1 4.06Å; V526-I528 HydrophobicContact CG1-CD1 4.47Å; I528-P541 CarbonylContact O-C 3.12Å; I528-P541 VanDerWaalsContact O-CA 3.27Å; I528-P541 WeakPolarHBondContact O-CA 3.2Å; I528-P541 WeakPolarHBondContact O-CB 3.43Å; I528-L542 HydrophobicContact CG2-CB 4.38Å; I528-L542 PolarHBondContact O-N 2.93Å; I528-Q543 HydrophobicContact CB-CB 4.22Å; I528-Q543 HydrophobicContact CG1-CB 4.07Å; I528-Q543 PolarHBondContact N-O 2.97Å; I528-I545 HydrophobicContact CD1-CD1 3.9Å; I528-I545 HydrophobicContact CG1-CD1 3.98Å; I528-F574 HydrophobicContact CD1-CE1 4.4Å; I528-F574 HydrophobicContact CD1-CZ 4.14Å |
| 529 | Y | 94.4 | Very high | 84.4 | Confident | 5 Ų | 5 | 33 Ų | 33 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.7 | -178.5 | -82 | -83.7 | 0 | 0 | 0 | 111.6 | V471 F480 V498 I500 Y527 D538 P541 | V471-Y529 HydrophobicContact CG1-CE1 4.07Å; V471-Y529 WeakPolarHBondContact CG1-OH 3.33Å; F480-Y529 AromaticContact CE2-CE2 3.86Å; F480-Y529 HydrophobicContact CE2-CE2 3.86Å; F480-Y529 HydrophobicContact CZ-CD2 4.5Å; F480-Y529 AromaticContact CZ-CE2 3.68Å; F480-Y529 HydrophobicContact CZ-CE2 3.68Å; V498-Y529 PolarHBondContact N-O 3.05Å; V498-Y529 PolarHBondContact O-N 2.84Å; I500-Y529 HydrophobicContact CD1-CD2 3.81Å; I500-Y529 HydrophobicContact CD1-CE2 4.35Å; I500-Y529 HydrophobicContact CD1-CG 4.49Å; I500-Y529 HydrophobicContact CG1-CD2 4.4Å; Y527-Y529 VanDerWaalsContact CB-CE2 3.47Å; Y527-Y529 HydrophobicContact CD1-CE2 4.26Å; Y527-Y529 HydrophobicContact CG-CE2 4.17Å; Y529-D538 VanDerWaalsContact CD1-O 3.22Å; Y529-D538 WeakPolarHBondContact CD1-O 3.43Å; Y529-D538 VanDerWaalsContact CE1-O 3.29Å; Y529-D538 WeakPolarHBondContact CE1-O 3.31Å; Y529-P541 HydrophobicContact CD1-CB 4.31Å; Y529-P541 HydrophobicContact CD2-CB 4.4Å; Y529-P541 HydrophobicContact CE1-CB 3.97Å; Y529-P541 HydrophobicContact CE2-CB 4.08Å |
| 530 | R | 92.6 | Very high | 85.9 | Confident | 73 Ų | 73 | 36.9 Ų | 36.9 | 28% | 0.275 | 19% | 0.193 | S | C | . | . | P | Polyproline II helix | trans | -70.2 | 136.2 | 166.5 | -175.7 | -178.8 | -75.6 | 130.4 | -10.5 | 110.7 | D491 D497 L537 D538 L542 | D491-R530 IonicContact OD2-CZ 2.72Å; D491-R530 IonicContact OD2-NE 2.71Å; D491-R530 PolarHBondContact OD2-NE 3.2Å; D491-R530 IonicContact OD2-NH2 2.75Å; D491-R530 PolarHBondContact OD2-NH2 3.02Å; D497-R530 WeakPolarHBondContact OD1-CA 3.23Å; R530-L537 WeakPolarHBondContact O-CA 3.49Å; R530-D538 HydrophobicContact CB-CB 4.23Å; R530-D538 WeakPolarHBondContact CD-OD2 3.33Å; R530-D538 IonicContact CZ-OD2 3.17Å; R530-D538 IonicContact NH1-OD2 2.75Å; R530-D538 PolarHBondContact NH1-OD2 3.33Å; R530-D538 PolarHBondContact O-N 2.9Å; R530-D538 VanDerWaalsContact O-N 3.14Å; R530-L542 HydrophobicContact CB-CD1 4.02Å; R530-L542 HydrophobicContact CB-CD2 4.46Å; R530-L542 HydrophobicContact CB-CG 4.25Å |
| 531 | V | 92.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -94.3 | 122.3 | 165.9 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | V415 I417 I455 I495 D496 D497 V498 L537 | V415-V531 HydrophobicContact CG2-CG1 4.4Å; I417-V531 HydrophobicContact CD1-CG1 3.61Å; I417-V531 HydrophobicContact CG1-CG1 3.95Å; I455-V531 HydrophobicContact CD1-CG1 3.93Å; I495-V531 HydrophobicContact CG2-CB 3.82Å; I495-V531 HydrophobicContact CG2-CG1 3.77Å; I495-V531 WeakPolarHBondContact CG2-O 3.43Å; D496-V531 WeakPolarHBondContact O-CB 3.2Å; D496-V531 WeakPolarHBondContact O-CG2 3.25Å; D497-V531 PolarHBondContact OD1-N 2.94Å; D497-V531 VanDerWaalsContact OD1-N 3.07Å; V498-V531 HydrophobicContact CG1-CG2 4.32Å; V498-V531 HydrophobicContact CG2-CG2 4.27Å; V531-L537 HydrophobicContact CG2-CD2 3.77Å |
| 532 | T | 89 | Confident | 88.8 | Confident | 13 Ų | 13 | 33.8 Ų | 33.8 | 8% | 0.08 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 154 | -175.8 | 74.2 | 0 | 0 | 0 | 0 | 112.7 | Q534 C535 T536 D538 | T532-Q534 PolarHBondContact O-N 3.25Å; T532-Q534 PolarHBondContact OG1-N 3.3Å; T532-C535 PolarHBondContact O-N 2.99Å; T532-T536 PolarHBondContact N-O 3.19Å; T532-T536 PolarHBondContact OG1-N 3.13Å; T532-T536 VanDerWaalsContact OG1-N 3.11Å; T532-T536 PolarHBondContact OG1-O 2.91Å; T532-T536 VanDerWaalsContact OG1-O 3.08Å; T532-T536 PolarHBondContact OG1-OG1 2.91Å; T532-D538 WeakPolarHBondContact CG2-OD1 3.39Å |
| 533 | S | 83.9 | Confident | 89.5 | Confident | 30 Ų | 30 | 33.4 Ų | 33.4 | 21% | 0.21 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -21.5 | 172.6 | 75 | 0 | 0 | 0 | 0 | 113.9 | R428 I495 C535 | R428-S533 VanDerWaalsContact CZ-O 3.22Å; R428-S533 PolarHBondContact NH1-O 2.86Å; R428-S533 PolarHBondContact NH2-O 3.31Å; I495-S533 VanDerWaalsContact CD1-N 3.28Å; S533-C535 PolarHBondContact O-N 3.12Å |
| 534 | Q | 82.9 | Confident | 89.8 | Confident | 126 Ų | 126 | 35.8 Ų | 35.8 | 59% | 0.589 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -1.5 | 177.6 | -69.1 | 75 | 9.5 | 0 | 0 | 112.9 | T532 | T532-Q534 PolarHBondContact O-N 3.25Å; T532-Q534 PolarHBondContact OG1-N 3.3Å |
| 535 | C | 87 | Confident | 89.9 | Confident | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.095 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 64.6 | 46.3 | -170.8 | -160.9 | 0 | 0 | 0 | 0 | 112.6 | I417 I455 C457 T532 S533 | I417-C535 HydrophobicContact CD1-CB 4.33Å; I455-C535 WeakPolarHBondContact CG2-O 3.12Å; C457-C535 HydrophobicContact CB-CB 3.91Å; C457-C535 WeakPolarHBondContact CB-SG 3.18Å; C457-C535 PolarHBondContact N-SG 3.23Å; C457-C535 WeakPolarHBondContact SG-CB 3.43Å; C457-C535 CovalentContact SG-SG 2.03Å; C457-C535 PolarHBondContact SG-SG 3.17Å; T532-C535 PolarHBondContact O-N 2.99Å; S533-C535 PolarHBondContact O-N 3.12Å |
| 536 | T | 90.2 | Very high | 89.5 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 23% | 0.227 | 20% | 0.198 | C | C | . | . | trans | -127.1 | 166.1 | 170 | 66.5 | 0 | 0 | 0 | 0 | 109.6 | F469 T532 | F469-T536 HydrophobicContact CB-CG2 4.32Å; F469-T536 HydrophobicContact CD1-CG2 4.3Å; F469-T536 HydrophobicContact CD2-CG2 3.49Å; F469-T536 VanDerWaalsContact CD2-CG2 3.49Å; F469-T536 HydrophobicContact CE2-CG2 3.79Å; F469-T536 HydrophobicContact CG-CG2 3.77Å; F469-T536 HydrophobicContact CZ-CG2 4.32Å; T532-T536 PolarHBondContact N-O 3.19Å; T532-T536 PolarHBondContact OG1-N 3.13Å; T532-T536 VanDerWaalsContact OG1-N 3.11Å; T532-T536 PolarHBondContact OG1-O 2.91Å; T532-T536 VanDerWaalsContact OG1-O 3.08Å; T532-T536 PolarHBondContact OG1-OG1 2.91Å | ||
| 537 | L | 90.6 | Very high | 89 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -94.8 | 145.9 | 165.3 | -64.9 | 170.3 | 0 | 0 | 0 | 108.4 | L434 V453 F469 V471 V498 I500 R530 V531 | L434-L537 HydrophobicContact CD2-CD1 4.03Å; L434-L537 HydrophobicContact CD2-CD2 4.23Å; L434-L537 HydrophobicContact CD2-CG 4.38Å; V453-L537 HydrophobicContact CG1-CD1 4.41Å; F469-L537 HydrophobicContact CE1-CB 4.14Å; F469-L537 VanDerWaalsContact CE1-N 3.32Å; F469-L537 WeakPolarHBondContact CE1-O 3.11Å; F469-L537 VanDerWaalsContact CZ-O 3.29Å; F469-L537 WeakPolarHBondContact CZ-O 3.37Å; V471-L537 HydrophobicContact CG2-CB 3.79Å; V471-L537 HydrophobicContact CG2-CD1 3.97Å; V498-L537 HydrophobicContact CG2-CD2 4.15Å; I500-L537 HydrophobicContact CD1-CD1 4.11Å; R530-L537 WeakPolarHBondContact O-CA 3.49Å; V531-L537 HydrophobicContact CG2-CD2 3.77Å |
| 538 | D | 87.8 | Confident | 88.2 | Confident | 43 Ų | 43 | 40.6 Ų | 40.6 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | trans | -59.3 | 136.5 | 171.1 | -92 | -13.8 | 0 | 0 | 0 | 109.8 | Y529 R530 T532 Q540 | Y529-D538 VanDerWaalsContact CD1-O 3.22Å; Y529-D538 WeakPolarHBondContact CD1-O 3.43Å; Y529-D538 VanDerWaalsContact CE1-O 3.29Å; Y529-D538 WeakPolarHBondContact CE1-O 3.31Å; R530-D538 HydrophobicContact CB-CB 4.23Å; R530-D538 WeakPolarHBondContact CD-OD2 3.33Å; R530-D538 IonicContact CZ-OD2 3.17Å; R530-D538 IonicContact NH1-OD2 2.75Å; R530-D538 PolarHBondContact NH1-OD2 3.33Å; R530-D538 PolarHBondContact O-N 2.9Å; R530-D538 VanDerWaalsContact O-N 3.14Å; T532-D538 WeakPolarHBondContact CG2-OD1 3.39Å; D538-Q540 PolarHBondContact O-N 2.96Å; D538-Q540 VanDerWaalsContact O-N 3.15Å | ||
| 539 | P | 85.4 | Confident | 87.4 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -73.1 | -5.8 | -174.4 | 30.3 | -36.8 | 0 | 0 | 0 | 113.8 | Y23 | Y23-P539 HydrophobicContact CE2-CG 4.43Š|
| 540 | Q | 85.3 | Confident | 86.7 | Confident | 129 Ų | 129 | 50.7 Ų | 50.7 | 60% | 0.603 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -122.4 | 133.8 | 170.2 | -69 | -64.7 | -44.7 | 0 | 0 | 108.3 | D538 | D538-Q540 PolarHBondContact O-N 2.96Å; D538-Q540 VanDerWaalsContact O-N 3.15Å |
| 541 | P | 89.5 | Confident | 86.1 | Confident | 27 Ų | 27 | 50.7 Ų | 50.7 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | trans | -66.7 | 143.9 | 174.7 | 30 | -35.8 | 0 | 0 | 0 | 110.5 | Y527 I528 Y529 Q543 I544 | Y527-P541 HydrophobicContact CD1-CB 4.23Å; Y527-P541 HydrophobicContact CD1-CG 4.07Å; I528-P541 CarbonylContact O-C 3.12Å; I528-P541 VanDerWaalsContact O-CA 3.27Å; I528-P541 WeakPolarHBondContact O-CA 3.2Å; I528-P541 WeakPolarHBondContact O-CB 3.43Å; Y529-P541 HydrophobicContact CD1-CB 4.31Å; Y529-P541 HydrophobicContact CD2-CB 4.4Å; Y529-P541 HydrophobicContact CE1-CB 3.97Å; Y529-P541 HydrophobicContact CE2-CB 4.08Å; P541-Q543 VanDerWaalsContact C-N 3.25Å; P541-Q543 PolarHBondContact O-N 2.88Å; P541-I544 HydrophobicContact CB-CG1 4.33Å; P541-I544 HydrophobicContact CG-CD1 4.01Å; P541-I544 HydrophobicContact CG-CG1 3.7Å | ||
| 542 | L | 87.7 | Confident | 85.3 | Confident | 54 Ų | 54 | 54.8 Ų | 54.8 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -63 | -34.9 | 172.4 | -66.1 | 176.6 | 0 | 0 | 0 | 111.5 | I38 I490 I528 R530 | I38-L542 HydrophobicContact CD1-CB 3.81Å; I490-L542 HydrophobicContact CD1-CD1 3.88Å; I490-L542 HydrophobicContact CG1-CD1 4.35Å; I528-L542 HydrophobicContact CG2-CB 4.38Å; I528-L542 PolarHBondContact O-N 2.93Å; R530-L542 HydrophobicContact CB-CD1 4.02Å; R530-L542 HydrophobicContact CB-CD2 4.46Å; R530-L542 HydrophobicContact CB-CG 4.25Å |
| 543 | Q | 89.4 | Confident | 84.4 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 146.7 | 175.1 | -175.5 | 177.5 | -8.5 | 0 | 0 | 110.8 | I38 F39 I528 P541 I545 | I38-Q543 VanDerWaalsContact N-OE1 3.08Å; F39-Q543 PolarHBondContact O-NE2 3.03Å; I528-Q543 HydrophobicContact CB-CB 4.22Å; I528-Q543 HydrophobicContact CG1-CB 4.07Å; I528-Q543 PolarHBondContact N-O 2.97Å; P541-Q543 VanDerWaalsContact C-N 3.25Å; P541-Q543 PolarHBondContact O-N 2.88Å; Q543-I545 HydrophobicContact CG-CG1 4.06Å |
| 544 | I | 91.5 | Very high | 84.5 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 35% | 0.349 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.9 | 164.5 | -53.6 | 176.3 | 0 | 0 | 0 | 107.5 | R525 Y527 P541 | R525-I544 HydrophobicContact CB-CG2 4.41Å; R525-I544 HydrophobicContact CG-CG2 4.33Å; Y527-I544 HydrophobicContact CD1-CD1 4.03Å; Y527-I544 HydrophobicContact CD1-CG1 3.75Å; Y527-I544 HydrophobicContact CD1-CG2 4.39Å; Y527-I544 HydrophobicContact CE1-CD1 3.62Å; Y527-I544 HydrophobicContact CE1-CG1 3.85Å; Y527-I544 HydrophobicContact CE1-CG2 4.18Å; P541-I544 HydrophobicContact CB-CG1 4.33Å; P541-I544 HydrophobicContact CG-CD1 4.01Å; P541-I544 HydrophobicContact CG-CG1 3.7Å |
| 545 | I | 90.4 | Very high | 84.8 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 120.8 | 178.8 | -60.8 | 169.3 | 0 | 0 | 0 | 107.8 | F39 R525 V526 I528 Q543 F556 F574 F588 | F39-I545 HydrophobicContact CB-CD1 3.92Å; R525-I545 WeakPolarHBondContact CA-O 3.37Å; V526-I545 HydrophobicContact CB-CB 4.37Å; V526-I545 PolarHBondContact N-O 3.44Å; V526-I545 PolarHBondContact O-N 3.05Å; I528-I545 HydrophobicContact CD1-CD1 3.9Å; I528-I545 HydrophobicContact CG1-CD1 3.98Å; Q543-I545 HydrophobicContact CG-CG1 4.06Å; I545-F556 HydrophobicContact CG2-CE1 4.06Å; I545-F556 HydrophobicContact CG2-CZ 4.02Å; I545-F574 HydrophobicContact CD1-CE1 4.2Å; I545-F574 HydrophobicContact CD1-CZ 3.71Å; I545-F588 HydrophobicContact CD1-CD1 4.42Å; I545-F588 HydrophobicContact CG2-CD1 4.13Å; I545-F588 HydrophobicContact CG2-CE1 3.4Å; I545-F588 HydrophobicContact CG2-CE2 4.35Å; I545-F588 HydrophobicContact CG2-CZ 3.54Å |
| 546 | E | 85.9 | Confident | 85 | Confident | 89 Ų | 89 | 47.3 Ų | 47.3 | 42% | 0.416 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 158 | 172.5 | -55 | -159.9 | 131.3 | 0 | 0 | 110.9 | R525 | R525-E546 HydrophobicContact CG-CG 4.29Å; R525-E546 IonicContact CZ-OE1 3.51Å; R525-E546 IonicContact NE-OE1 2.91Å; R525-E546 PolarHBondContact NE-OE1 3.47Å; R525-E546 IonicContact NH2-OE1 3.29Å; R525-E546 PolarHBondContact NH2-OE1 3.44Å |
| 547 | S | 83 | Confident | 85.1 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | trans | -52.6 | 128.1 | 171 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | K549 P550 D554 | S547-K549 PolarHBondContact O-N 3.31Å; S547-K549 VanDerWaalsContact O-N 3.08Å; S547-P550 WeakPolarHBondContact O-CD 3.47Å; S547-D554 WeakPolarHBondContact CB-OD2 3.2Å; S547-D554 PolarHBondContact OG-OD2 2.99Å | ||
| 548 | P | 79 | Confident | 85.2 | Confident | 37 Ų | 37 | 46.3 Ų | 46.3 | 24% | 0.24 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -58.2 | -20.5 | 178.1 | -36.1 | 43 | 0 | 0 | 0 | 116.6 | Q41 Y586 F588 | Q41-P548 HydrophobicContact CG-CG 4.05Å; P548-Y586 HydrophobicContact CB-CD1 4.17Å; P548-Y586 HydrophobicContact CB-CE1 3.73Å; P548-Y586 HydrophobicContact CG-CD1 3.63Å; P548-Y586 HydrophobicContact CG-CE1 3.68Å; P548-Y586 HydrophobicContact CG-CG 4.1Å; P548-F588 HydrophobicContact CG-CZ 4.35Å |
| 549 | K | 78.7 | Confident | 85.5 | Confident | 137 Ų | 137 | 44.7 Ų | 44.7 | 60% | 0.596 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -135.5 | 68.3 | 175.6 | -68.3 | -174.3 | 178.8 | 178.2 | 0 | 107.2 | S547 E551 K580 | S547-K549 PolarHBondContact O-N 3.31Å; S547-K549 VanDerWaalsContact O-N 3.08Å; K549-E551 PolarHBondContact O-N 3.47Å; K549-K580 PolarHBondContact O-NZ 3.3Å |
| 550 | P | 78.8 | Confident | 85.9 | Confident | 81 Ų | 81 | 42.6 Ų | 42.6 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | trans | -63.9 | 131.5 | -162.5 | 27.6 | -32.9 | 0 | 0 | 0 | 109.9 | S547 | S547-P550 WeakPolarHBondContact O-CD 3.47Š| ||
| 551 | E | 79.3 | Confident | 86.3 | Confident | 72 Ų | 72 | 36.5 Ų | 36.5 | 34% | 0.336 | 19% | 0.194 | S | C | . | . | trans | -142.2 | 146.6 | 179.5 | -169.7 | 177.8 | 165 | 0 | 0 | 109.5 | K508 S523 K549 G553 D554 K580 | K508-E551 IonicContact NZ-OE1 3.47Å; K508-E551 PolarHBondContact NZ-OE1 2.86Å; S523-E551 WeakPolarHBondContact CB-O 3.21Å; K549-E551 PolarHBondContact O-N 3.47Å; E551-G553 PolarHBondContact O-N 2.63Å; E551-D554 HydrophobicContact CB-CB 4.22Å; E551-D554 PolarHBondContact N-OD2 3.43Å; E551-D554 VanDerWaalsContact N-OD2 3.14Å; E551-D554 VanDerWaalsContact O-CB 3.3Å; E551-D554 WeakPolarHBondContact O-CB 3.29Å; E551-D554 PolarHBondContact O-N 2.04Å; E551-K580 WeakPolarHBondContact OE2-CE 3.24Å; E551-K580 IonicContact OE2-NZ 2.65Å; E551-K580 PolarHBondContact OE2-NZ 3.38Å | ||
| 552 | I | 75.9 | Confident | 86.5 | Confident | 87 Ų | 87 | 38.7 Ų | 38.7 | 45% | 0.446 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 123 | 178.3 | -76.6 | 165 | 0 | 0 | 0 | 110 | L521 D554 | L521-I552 HydrophobicContact CB-CB 4.42Å; L521-I552 HydrophobicContact CB-CD1 4.15Å; L521-I552 HydrophobicContact CB-CG1 4.05Å; L521-I552 HydrophobicContact CB-CG2 3.56Å; L521-I552 HydrophobicContact CD2-CG2 3.6Å; L521-I552 HydrophobicContact CG-CG2 4.17Å; I552-D554 VanDerWaalsContact C-N 3.3Å; I552-D554 PolarHBondContact O-N 2.96Å |
| 553 | G | 70.1 | Confident | 86.6 | Confident | 15 Ų | 15 | 37.4 Ų | 37.4 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 17.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | H522 E551 S555 | H522-G553 PolarHBondContact O-N 2.87Å; H522-G553 VanDerWaalsContact O-N 3.11Å; E551-G553 PolarHBondContact O-N 2.63Å; G553-S555 PolarHBondContact O-N 2.85Å; G553-S555 PolarHBondContact O-OG 3.26Å |
| 554 | D | 86.2 | Confident | 86.4 | Confident | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | trans | -59.6 | -13.7 | 177.5 | 65.6 | 10.9 | 0 | 0 | 0 | 114.5 | G524 S547 E551 I552 F556 S578 L579 K580 | G524-D554 PolarHBondContact N-OD1 3.21Å; S547-D554 WeakPolarHBondContact CB-OD2 3.2Å; S547-D554 PolarHBondContact OG-OD2 2.99Å; E551-D554 HydrophobicContact CB-CB 4.22Å; E551-D554 PolarHBondContact N-OD2 3.43Å; E551-D554 VanDerWaalsContact N-OD2 3.14Å; E551-D554 VanDerWaalsContact O-CB 3.3Å; E551-D554 WeakPolarHBondContact O-CB 3.29Å; E551-D554 PolarHBondContact O-N 2.04Å; I552-D554 VanDerWaalsContact C-N 3.3Å; I552-D554 PolarHBondContact O-N 2.96Å; D554-F556 PolarHBondContact O-N 3.31Å; D554-F556 VanDerWaalsContact O-N 3.17Å; D554-F556 PolarHBondContact OD1-N 2.82Å; D554-S578 PolarHBondContact O-OG 3.02Å; D554-L579 PolarHBondContact O-N 3.46Å; D554-K580 HydrophobicContact CB-CB 4.38Å; D554-K580 HydrophobicContact CB-CD 4.48Å; D554-K580 PolarHBondContact O-N 3.23Å | ||
| 555 | S | 88.5 | Confident | 85.9 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | trans | 55.9 | 32.4 | 177.6 | -51.1 | 0 | 0 | 0 | 0 | 112.5 | P503 G553 G557 I558 | P503-S555 VanDerWaalsContact O-CA 3.25Å; P503-S555 WeakPolarHBondContact O-CA 3.24Å; G553-S555 PolarHBondContact O-N 2.85Å; G553-S555 PolarHBondContact O-OG 3.26Å; S555-G557 PolarHBondContact O-N 2.93Å; S555-I558 WeakPolarHBondContact O-CB 3.46Å; S555-I558 PolarHBondContact O-N 3.34Å | ||
| 556 | F | 92.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 123.1 | 175.9 | 177 | -96.8 | 0 | 0 | 0 | 110.3 | P503 G524 R525 V526 I545 D554 V576 Y586 F588 | P503-F556 WeakPolarHBondContact CA-O 3.45Å; G524-F556 CarbonylContact C-O 3.55Å; G524-F556 WeakPolarHBondContact CA-O 3.37Å; R525-F556 PolarHBondContact N-O 3.14Å; V526-F556 HydrophobicContact CB-CE1 4.43Å; V526-F556 HydrophobicContact CG2-CD1 4.24Å; V526-F556 HydrophobicContact CG2-CE1 3.81Å; I545-F556 HydrophobicContact CG2-CE1 4.06Å; I545-F556 HydrophobicContact CG2-CZ 4.02Å; D554-F556 PolarHBondContact O-N 3.31Å; D554-F556 VanDerWaalsContact O-N 3.17Å; D554-F556 PolarHBondContact OD1-N 2.82Å; F556-V576 HydrophobicContact CD1-CG1 4.39Å; F556-V576 HydrophobicContact CD2-CG1 3.92Å; F556-V576 HydrophobicContact CE1-CG1 4.07Å; F556-V576 HydrophobicContact CE2-CB 3.96Å; F556-V576 HydrophobicContact CE2-CG1 3.55Å; F556-V576 HydrophobicContact CG-CG1 4.32Å; F556-V576 HydrophobicContact CZ-CB 4.04Å; F556-V576 HydrophobicContact CZ-CG1 3.63Å; F556-V576 HydrophobicContact CZ-CG2 4.32Å; F556-Y586 HydrophobicContact CD2-CD2 4.03Å; F556-Y586 HydrophobicContact CD2-CE2 4.24Å; F556-Y586 AromaticContact CE2-CD2 3.73Å; F556-Y586 HydrophobicContact CE2-CD2 3.73Å; F556-Y586 HydrophobicContact CE2-CE2 4.32Å; F556-Y586 HydrophobicContact CE2-CG 4.33Å; F556-F588 HydrophobicContact CE2-CE2 4.25Å; F556-F588 HydrophobicContact CE2-CZ 4.26Å; F556-F588 AromaticContact CZ-CE2 3.87Å; F556-F588 HydrophobicContact CZ-CE2 3.87Å; F556-F588 AromaticContact CZ-CZ 3.73Å; F556-F588 HydrophobicContact CZ-CZ 3.73Å |
| 557 | G | 92.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | 11.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S501 S555 G559 T577 | S501-G557 WeakPolarHBondContact CB-O 3.44Å; S501-G557 PolarHBondContact OG-O 3.11Å; S555-G557 PolarHBondContact O-N 2.93Å; G557-G559 PolarHBondContact O-N 3.28Å; G557-T577 PolarHBondContact N-O 2.97Å |
| 558 | I | 92.6 | Very high | 83.9 | Confident | 18 Ų | 18 | 32.3 Ų | 32.3 | 9% | 0.092 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -59.4 | -26.1 | 173.8 | -165.5 | 73.1 | 0 | 0 | 0 | 112.8 | Y482 S483 I505 S555 T577 L579 | Y482-I558 HydrophobicContact CD1-CD1 4.15Å; Y482-I558 HydrophobicContact CE1-CD1 3.45Å; Y482-I558 VanDerWaalsContact CE1-CD1 3.45Å; Y482-I558 HydrophobicContact CE1-CG1 4.16Å; S483-I558 PolarHBondContact OG-O 3.41Å; I505-I558 HydrophobicContact CD1-CD1 3.58Å; I505-I558 HydrophobicContact CG1-CD1 4.07Å; S555-I558 WeakPolarHBondContact O-CB 3.46Å; S555-I558 PolarHBondContact O-N 3.34Å; I558-T577 WeakPolarHBondContact CG2-OG1 3.37Å; I558-L579 HydrophobicContact CB-CG 4.32Å; I558-L579 HydrophobicContact CD1-CD1 4.19Å; I558-L579 HydrophobicContact CG1-CD1 4.18Å; I558-L579 HydrophobicContact CG1-CD2 4.21Å; I558-L579 HydrophobicContact CG1-CG 4.12Å; I558-L579 HydrophobicContact CG2-CD2 4.04Å; I558-L579 HydrophobicContact CG2-CG 4.09Å |
| 559 | G | 92.5 | Very high | 83.5 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 8% | 0.082 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -148 | 147.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G557 T577 | G557-G559 PolarHBondContact O-N 3.28Å; G559-T577 VanDerWaalsContact CA-OG1 3.27Å; G559-T577 WeakPolarHBondContact CA-OG1 3.07Å; G559-T577 PolarHBondContact N-OG1 3.47Å; G559-T577 PolarHBondContact O-N 2.77Å; G559-T577 PolarHBondContact O-OG1 2.97Å |
| 560 | L | 95.1 | Very high | 83.2 | Confident | 24 Ų | 24 | 26.8 Ų | 26.8 | 13% | 0.126 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -131.8 | 140.2 | -176.9 | -59.9 | 175.4 | 0 | 0 | 0 | 109 | A485 A499 V526 V576 | A485-L560 HydrophobicContact CB-CB 3.68Å; A485-L560 HydrophobicContact CB-CD1 4.11Å; A499-L560 HydrophobicContact CB-CD1 4.08Å; V526-L560 HydrophobicContact CG1-CD2 4.19Å; V526-L560 HydrophobicContact CG2-CD2 3.85Å; L560-V576 HydrophobicContact CD2-CB 4.4Å; L560-V576 HydrophobicContact CD2-CG1 4.04Å; L560-V576 HydrophobicContact CD2-CG2 3.88Å |
| 561 | S | 93.9 | Very high | 83.2 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -80.2 | 152.6 | 163.8 | 75.1 | 0 | 0 | 0 | 0 | 110.6 | A485 F564 A575 | A485-S561 VanDerWaalsContact CB-O 3.31Å; A485-S561 WeakPolarHBondContact CB-O 3.07Å; S561-F564 WeakPolarHBondContact OG-CE1 3.23Å; S561-A575 PolarHBondContact N-O 3.01Å; S561-A575 PolarHBondContact OG-N 3.27Å |
| 562 | R | 92.7 | Very high | 83.5 | Confident | 74 Ų | 74 | 20.2 Ų | 20.2 | 28% | 0.279 | 13% | 0.127 | S | C | . | . | P | Polyproline II helix | trans | -60.1 | 157.4 | 155.6 | -70.8 | 176.8 | 173.8 | 164.1 | -8.2 | 109.1 | D252 E413 R486 F564 | D252-R562 IonicContact OD1-CZ 2.7Å; D252-R562 IonicContact OD1-NH1 2.89Å; D252-R562 PolarHBondContact OD1-NH1 3.28Å; D252-R562 IonicContact OD1-NH2 3.07Å; D252-R562 PolarHBondContact OD1-NH2 3.26Å; D252-R562 IonicContact OD2-NH1 3.96Å; D252-R562 IonicContact OD2-NH2 3.96Å; D252-R562 PolarHBondContact OD2-NH2 2.84Å; D252-R562 VanDerWaalsContact OD2-NH2 3.16Å; E413-R562 IonicContact OE1-CZ 2.74Å; E413-R562 IonicContact OE1-NE 3.91Å; E413-R562 IonicContact OE1-NH2 3.75Å; E413-R562 PolarHBondContact OE1-NH2 2.03Å; E413-R562 IonicContact OE2-CZ 3.84Å; E413-R562 IonicContact OE2-NE 3.8Å; E413-R562 PolarHBondContact OE2-NE 3.2Å; E413-R562 IonicContact OE2-NH2 2.63Å; E413-R562 PolarHBondContact OE2-NH2 2.86Å; R486-R562 CarbonylContact O-C 3.58Å; R486-R562 WeakPolarHBondContact O-CA 3.29Å; R562-F564 WeakPolarHBondContact O-CD1 3.29Å |
| 563 | G | 89.8 | Confident | 83.9 | Confident | 27 Ų | 27 | 16.2 Ų | 16.2 | 28% | 0.278 | 11% | 0.107 | S | C | . | . | P | Polyproline II helix | trans | -67.4 | 142.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R486 E573 | R486-G563 PolarHBondContact O-N 2.98Å; G563-E573 CarbonylContact C-O 3.53Å; G563-E573 WeakPolarHBondContact CA-O 3.44Å |
| 564 | F | 86.2 | Confident | 84.9 | Confident | 13 Ų | 13 | 15.5 Ų | 15.5 | 6% | 0.057 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -143.4 | 132.7 | 175.5 | 56.4 | -89.7 | 0 | 0 | 0 | 110.2 | V88 L90 S561 R562 A566 E573 L587 | V88-F564 HydrophobicContact CG1-CD2 4.09Å; V88-F564 HydrophobicContact CG1-CE2 3.87Å; L90-F564 HydrophobicContact CD2-CE1 4.25Å; L90-F564 HydrophobicContact CD2-CE2 4.12Å; L90-F564 HydrophobicContact CD2-CZ 3.52Å; S561-F564 WeakPolarHBondContact OG-CE1 3.23Å; R562-F564 WeakPolarHBondContact O-CD1 3.29Å; F564-A566 HydrophobicContact CD2-CB 3.99Å; F564-A566 HydrophobicContact CE2-CB 3.92Å; F564-A566 PolarHBondContact O-N 2.99Å; F564-A566 VanDerWaalsContact O-N 3.1Å; F564-E573 HydrophobicContact CD2-CB 4.28Å; F564-E573 HydrophobicContact CE2-CB 3.88Å; F564-E573 HydrophobicContact CZ-CB 4.19Å; F564-E573 PolarHBondContact N-O 2.85Å; F564-E573 WeakPolarHBondContact O-CA 3.06Å; F564-E573 WeakPolarHBondContact O-CB 3.35Å; F564-E573 PolarHBondContact O-N 2.99Å; F564-L587 HydrophobicContact CE2-CD1 4.33Å; F564-L587 HydrophobicContact CZ-CD1 3.81Å |
| 565 | D | 81.1 | Confident | 85.1 | Confident | 51 Ų | 51 | 15.3 Ų | 15.3 | 27% | 0.273 | 10% | 0.098 | S | C | . | . | trans | -79.7 | 87.6 | -178.1 | 154.7 | 52.4 | 0 | 0 | 0 | 109.8 | K79 G568 D569 G570 | K79-D565 WeakPolarHBondContact CD-O 3.37Å; K79-D565 WeakPolarHBondContact CE-O 3.41Å; K79-D565 VanDerWaalsContact NZ-CG 3.31Å; K79-D565 PolarHBondContact NZ-O 3.16Å; K79-D565 IonicContact NZ-OD1 2.82Å; K79-D565 IonicContact NZ-OD2 3.86Å; K79-D565 PolarHBondContact NZ-OD2 3.25Å; D565-G568 WeakPolarHBondContact OD1-CA 3.25Å; D565-G568 PolarHBondContact OD1-N 3.45Å; D565-G568 WeakPolarHBondContact OD2-CA 3.4Å; D565-D569 PolarHBondContact OD1-N 2.96Å; D565-G570 PolarHBondContact OD1-N 3.42Å; D565-G570 VanDerWaalsContact OD1-N 3.16Å | ||
| 566 | A | 75.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -71.8 | -48.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V88 L129 F564 E573 | V88-A566 HydrophobicContact CG1-CB 4.19Å; V88-A566 HydrophobicContact CG2-CB 3.86Å; V88-A566 WeakPolarHBondContact CG2-O 3.28Å; L129-A566 HydrophobicContact CD1-CB 4.28Å; F564-A566 HydrophobicContact CD2-CB 3.99Å; F564-A566 HydrophobicContact CE2-CB 3.92Å; F564-A566 PolarHBondContact O-N 2.99Å; F564-A566 VanDerWaalsContact O-N 3.1Å; A566-E573 WeakPolarHBondContact CA-OE2 3.29Å; A566-E573 HydrophobicContact CB-CB 4.06Å; A566-E573 HydrophobicContact CB-CG 3.79Å; A566-E573 WeakPolarHBondContact CB-OE2 3.33Å; A566-E573 PolarHBondContact N-OE2 3.12Å |
| 567 | D | 71 | Confident | 85.3 | Confident | 7 Ų | 7 | 15 Ų | 15 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -84 | -18.9 | 180 | 61.3 | 22.3 | 0 | 0 | 0 | 113.2 | R86 Y121 W128 D569 K763 | R86-D567 VanDerWaalsContact CD-O 3.24Å; R86-D567 WeakPolarHBondContact CD-O 3.36Å; R86-D567 PolarHBondContact NH1-O 3.4Å; Y121-D567 HydrophobicContact CD2-CB 3.87Å; Y121-D567 HydrophobicContact CE2-CB 3.83Å; W128-D567 HydrophobicContact CE3-CB 3.97Å; W128-D567 VanDerWaalsContact CE3-OD2 3.25Å; W128-D567 HydrophobicContact CZ3-CB 4.37Å; W128-D567 WeakPolarHBondContact CZ3-OD2 3.42Å; D567-D569 VanDerWaalsContact OD1-CB 3.24Å; D567-D569 WeakPolarHBondContact OD1-CB 3.46Å; D567-D569 PolarHBondContact OD1-N 2.86Å; D567-K763 IonicContact OD1-NZ 2.84Å; D567-K763 WeakPolarHBondContact OD2-CD 3.24Å; D567-K763 WeakPolarHBondContact OD2-CE 3.34Å; D567-K763 IonicContact OD2-NZ 2.68Å; D567-K763 PolarHBondContact OD2-NZ 3.44Å |
| 568 | G | 71.1 | Confident | 85.2 | Confident | 16 Ų | 16 | 15.2 Ų | 15.2 | 17% | 0.165 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 80.7 | 31.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R86 D565 | R86-G568 VanDerWaalsContact NH1-C 3.27Å; R86-G568 PolarHBondContact NH1-O 3.33Å; R86-G568 PolarHBondContact NH2-O 3.25Å; D565-G568 WeakPolarHBondContact OD1-CA 3.25Å; D565-G568 PolarHBondContact OD1-N 3.45Å; D565-G568 WeakPolarHBondContact OD2-CA 3.4Å |
| 569 | D | 69.9 | Low | 84.9 | Confident | 15 Ų | 15 | 16.7 Ų | 16.7 | 8% | 0.08 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -87.3 | -12.3 | 172.3 | 93.1 | -15.8 | 0 | 0 | 0 | 113.5 | D565 D567 W571 K592 K763 | D565-D569 PolarHBondContact OD1-N 2.96Å; D567-D569 VanDerWaalsContact OD1-CB 3.24Å; D567-D569 WeakPolarHBondContact OD1-CB 3.46Å; D567-D569 PolarHBondContact OD1-N 2.86Å; D569-W571 PolarHBondContact OD1-N 2.66Å; D569-K592 PolarHBondContact O-NZ 3.37Å; D569-K592 WeakPolarHBondContact OD2-CG 3.48Å; D569-K763 IonicContact OD1-NZ 3.18Å; D569-K763 WeakPolarHBondContact OD2-CE 3.48Å; D569-K763 IonicContact OD2-NZ 3.98Å; D569-K763 PolarHBondContact OD2-NZ 3.13Å |
| 570 | G | 72.9 | Confident | 84.4 | Confident | 42 Ų | 42 | 18.3 Ų | 18.3 | 43% | 0.433 | 11% | 0.111 | S | C | . | . | S | Bend | trans | 108.3 | -13.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D565 | D565-G570 PolarHBondContact OD1-N 3.42Å; D565-G570 VanDerWaalsContact OD1-N 3.16Å |
| 571 | W | 77.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -103.5 | 147.3 | -178.9 | -57.6 | 86 | 0 | 0 | 0 | 110.5 | I490 D569 M590 L593 L628 H629 | I490-W571 WeakPolarHBondContact O-CZ3 2.97Å; D569-W571 PolarHBondContact OD1-N 2.66Å; W571-M590 HydrophobicContact CB-CB 4.17Å; W571-M590 HydrophobicContact CB-CG 4.12Å; W571-M590 HydrophobicContact CB-SD 4.49Å; W571-M590 HydrophobicContact CD2-CE 4.32Å; W571-M590 HydrophobicContact CE3-CE 3.54Å; W571-M590 HydrophobicContact CE3-SD 3.81Å; W571-M590 HydrophobicContact CZ3-CE 3.81Å; W571-L593 HydrophobicContact CH2-CB 3.7Å; W571-L593 HydrophobicContact CH2-CG 4.43Å; W571-L593 HydrophobicContact CZ2-CB 3.9Å; W571-L593 VanDerWaalsContact CZ2-O 3.28Å; W571-L593 WeakPolarHBondContact CZ2-O 3.43Å; W571-L593 HydrophobicContact CZ3-CB 4.08Å; W571-L628 HydrophobicContact CH2-CB 4.42Å; W571-H629 AromaticContact CD2-CD2 3.54Å; W571-H629 AromaticContact CD2-NE2 3.77Å; W571-H629 AromaticContact CE2-CD2 3.5Å; W571-H629 VanDerWaalsContact CE2-CD2 3.5Å; W571-H629 AromaticContact CE3-CD2 3.52Å; W571-H629 AromaticContact CE3-NE2 3.3Å; W571-H629 VanDerWaalsContact CE3-NE2 3.3Å; W571-H629 AromaticContact CH2-CD2 3.5Å; W571-H629 AromaticContact CH2-CG 3.96Å; W571-H629 AromaticContact CH2-NE2 3.82Å; W571-H629 HydrophobicContact CZ2-CB 4.4Å; W571-H629 AromaticContact CZ2-CD2 3.52Å; W571-H629 AromaticContact CZ3-CD2 3.49Å; W571-H629 VanDerWaalsContact CZ3-CD2 3.49Å; W571-H629 WeakPolarHBondContact CZ3-CD2 3.44Å; W571-H629 AromaticContact CZ3-CE1 3.98Å; W571-H629 AromaticContact CZ3-NE2 3.32Å; W571-H629 VanDerWaalsContact CZ3-NE2 3.32Å; W571-H629 WeakPolarHBondContact CZ3-NE2 3.28Å |
| 572 | P | 85.1 | Confident | 82.8 | Confident | 13 Ų | 13 | 24 Ų | 24 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -79 | 143.9 | -173.7 | 29.9 | -33.9 | 0 | 0 | 0 | 113.2 | F39 L487 I490 | F39-P572 WeakPolarHBondContact CE1-O 3.05Å; F39-P572 HydrophobicContact CZ-CG 4.42Å; L487-P572 WeakPolarHBondContact O-CB 3.09Å; L487-P572 WeakPolarHBondContact O-CG 3.47Å; I490-P572 HydrophobicContact CG2-CG 3.74Å |
| 573 | E | 85.4 | Confident | 82.2 | Confident | 3 Ų | 3 | 21.6 Ų | 21.6 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -92.9 | 158.7 | 154.1 | -79.9 | 62.4 | -133.2 | 0 | 0 | 110.3 | G563 F564 A566 L587 F588 T589 K763 | G563-E573 CarbonylContact C-O 3.53Å; G563-E573 WeakPolarHBondContact CA-O 3.44Å; F564-E573 HydrophobicContact CD2-CB 4.28Å; F564-E573 HydrophobicContact CE2-CB 3.88Å; F564-E573 HydrophobicContact CZ-CB 4.19Å; F564-E573 PolarHBondContact N-O 2.85Å; F564-E573 WeakPolarHBondContact O-CA 3.06Å; F564-E573 WeakPolarHBondContact O-CB 3.35Å; F564-E573 PolarHBondContact O-N 2.99Å; A566-E573 WeakPolarHBondContact CA-OE2 3.29Å; A566-E573 HydrophobicContact CB-CB 4.06Å; A566-E573 HydrophobicContact CB-CG 3.79Å; A566-E573 WeakPolarHBondContact CB-OE2 3.33Å; A566-E573 PolarHBondContact N-OE2 3.12Å; E573-L587 HydrophobicContact CB-CD1 4.24Å; E573-F588 VanDerWaalsContact CA-O 3.27Å; E573-F588 WeakPolarHBondContact CA-O 3.49Å; E573-F588 WeakPolarHBondContact CB-O 3.42Å; E573-T589 VanDerWaalsContact OE1-CB 3.25Å; E573-T589 WeakPolarHBondContact OE1-CB 3.23Å; E573-T589 PolarHBondContact OE1-OG1 3.15Å; E573-K763 IonicContact OE1-NZ 2.81Å; E573-K763 PolarHBondContact OE1-NZ 2.78Å |
| 574 | F | 91.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 161.4 | 166.2 | 77.8 | -76 | 0 | 0 | 0 | 112 | F39 L487 A499 V526 I528 I545 V576 F588 | F39-F574 HydrophobicContact CB-CE1 4.27Å; F39-F574 AromaticContact CD1-CD1 3.78Å; F39-F574 HydrophobicContact CD1-CD1 3.78Å; F39-F574 AromaticContact CD1-CE1 3.53Å; F39-F574 HydrophobicContact CD1-CE1 3.53Å; F39-F574 HydrophobicContact CD2-CE1 4.07Å; F39-F574 AromaticContact CE1-CD1 3.61Å; F39-F574 HydrophobicContact CE1-CD1 3.61Å; F39-F574 AromaticContact CE1-CE1 3.75Å; F39-F574 HydrophobicContact CE1-CE1 3.75Å; F39-F574 HydrophobicContact CE2-CE1 4.26Å; F39-F574 HydrophobicContact CG-CD1 4.39Å; F39-F574 AromaticContact CG-CE1 3.69Å; F39-F574 HydrophobicContact CG-CE1 3.69Å; F39-F574 HydrophobicContact CZ-CD1 4.1Å; F39-F574 HydrophobicContact CZ-CE1 4.11Å; L487-F574 HydrophobicContact CD2-CB 3.95Å; L487-F574 HydrophobicContact CD2-CD1 3.84Å; L487-F574 HydrophobicContact CD2-CD2 4.2Å; L487-F574 HydrophobicContact CD2-CE1 4.38Å; L487-F574 HydrophobicContact CD2-CG 3.74Å; A499-F574 HydrophobicContact CB-CE2 4.49Å; V526-F574 HydrophobicContact CG1-CE2 4.43Å; I528-F574 HydrophobicContact CD1-CE1 4.4Å; I528-F574 HydrophobicContact CD1-CZ 4.14Å; I545-F574 HydrophobicContact CD1-CE1 4.2Å; I545-F574 HydrophobicContact CD1-CZ 3.71Å; F574-V576 HydrophobicContact CD2-CG2 3.87Å; F574-V576 HydrophobicContact CE2-CG2 3.34Å; F574-V576 HydrophobicContact CZ-CG2 4.2Å; F574-F588 HydrophobicContact CD1-CB 4.01Å; F574-F588 HydrophobicContact CE1-CB 3.67Å; F574-F588 HydrophobicContact CE1-CG 4.29Å; F574-F588 HydrophobicContact CZ-CB 4.15Å; F574-F588 HydrophobicContact CZ-CD2 4.31Å; F574-F588 HydrophobicContact CZ-CG 4.28Å; F574-F588 PolarHBondContact N-O 2.86Å; F574-F588 PolarHBondContact O-N 3.36Å |
| 575 | A | 91.1 | Very high | 82 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 146.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V75 S561 Y586 | V75-A575 HydrophobicContact CB-CB 4.44Å; V75-A575 HydrophobicContact CG1-CB 3.95Å; V75-A575 HydrophobicContact CG2-CB 3.62Å; S561-A575 PolarHBondContact N-O 3.01Å; S561-A575 PolarHBondContact OG-N 3.27Å; A575-Y586 CarbonylContact C-O 3.48Å; A575-Y586 VanDerWaalsContact CA-O 3.24Å; A575-Y586 WeakPolarHBondContact CA-O 3.3Å |
| 576 | V | 93.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131 | -177 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | V526 F556 L560 F574 P585 Y586 F588 | V526-V576 HydrophobicContact CG2-CG1 4.04Å; V526-V576 HydrophobicContact CG2-CG2 4.41Å; F556-V576 HydrophobicContact CD1-CG1 4.39Å; F556-V576 HydrophobicContact CD2-CG1 3.92Å; F556-V576 HydrophobicContact CE1-CG1 4.07Å; F556-V576 HydrophobicContact CE2-CB 3.96Å; F556-V576 HydrophobicContact CE2-CG1 3.55Å; F556-V576 HydrophobicContact CG-CG1 4.32Å; F556-V576 HydrophobicContact CZ-CB 4.04Å; F556-V576 HydrophobicContact CZ-CG1 3.63Å; F556-V576 HydrophobicContact CZ-CG2 4.32Å; L560-V576 HydrophobicContact CD2-CB 4.4Å; L560-V576 HydrophobicContact CD2-CG1 4.04Å; L560-V576 HydrophobicContact CD2-CG2 3.88Å; F574-V576 HydrophobicContact CD2-CG2 3.87Å; F574-V576 HydrophobicContact CE2-CG2 3.34Å; F574-V576 HydrophobicContact CZ-CG2 4.2Å; V576-P585 WeakPolarHBondContact O-CA 3.38Å; V576-Y586 PolarHBondContact N-O 2.79Å; V576-Y586 PolarHBondContact O-N 2.94Å; V576-F588 HydrophobicContact CB-CE2 4.09Å; V576-F588 HydrophobicContact CG2-CD2 3.84Å; V576-F588 HydrophobicContact CG2-CE2 3.75Å |
| 577 | T | 92.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -94.1 | 163.5 | 174.2 | 61.1 | 0 | 0 | 0 | 0 | 112.5 | W72 T73 V75 G557 I558 G559 P585 | W72-T577 WeakPolarHBondContact O-CB 3.41Å; T73-T577 PolarHBondContact O-OG1 3.01Å; V75-T577 HydrophobicContact CB-CG2 3.82Å; V75-T577 HydrophobicContact CG1-CG2 3.75Å; G557-T577 PolarHBondContact N-O 2.97Å; I558-T577 WeakPolarHBondContact CG2-OG1 3.37Å; G559-T577 VanDerWaalsContact CA-OG1 3.27Å; G559-T577 WeakPolarHBondContact CA-OG1 3.07Å; G559-T577 PolarHBondContact N-OG1 3.47Å; G559-T577 PolarHBondContact O-N 2.77Å; G559-T577 PolarHBondContact O-OG1 2.97Å; T577-P585 HydrophobicContact CG2-CB 4.25Å; T577-P585 HydrophobicContact CG2-CG 4.09Å | ||
| 578 | S | 89.5 | Confident | 83.4 | Confident | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | trans | -146.5 | 145.6 | 176.7 | 164.3 | 0 | 0 | 0 | 0 | 108.2 | D554 K580 | D554-S578 PolarHBondContact O-OG 3.02Å; S578-K580 PolarHBondContact O-N 3.43Å; S578-K580 VanDerWaalsContact OG-CB 3.25Å; S578-K580 WeakPolarHBondContact OG-CB 3.46Å; S578-K580 PolarHBondContact OG-N 3.37Å; S578-K580 VanDerWaalsContact OG-N 3.15Å | ||
| 579 | L | 85.6 | Confident | 83.8 | Confident | 50 Ų | 50 | 20 Ų | 20 | 26% | 0.262 | 12% | 0.116 | S | C | . | . | trans | -81.6 | 4.2 | 175.2 | -59.1 | -179.5 | 0 | 0 | 0 | 112.7 | H71 T73 D554 I558 L581 | H71-L579 HydrophobicContact CB-CD2 4.16Å; H71-L579 PolarHBondContact CE1-O 3.48Å; H71-L579 PolarHBondContact ND1-O 3.41Å; T73-L579 HydrophobicContact CG2-CD2 4.07Å; D554-L579 PolarHBondContact O-N 3.46Å; I558-L579 HydrophobicContact CB-CG 4.32Å; I558-L579 HydrophobicContact CD1-CD1 4.19Å; I558-L579 HydrophobicContact CG1-CD1 4.18Å; I558-L579 HydrophobicContact CG1-CD2 4.21Å; I558-L579 HydrophobicContact CG1-CG 4.12Å; I558-L579 HydrophobicContact CG2-CD2 4.04Å; I558-L579 HydrophobicContact CG2-CG 4.09Å; L579-L581 PolarHBondContact O-N 3.21Å | ||
| 580 | K | 82.9 | Confident | 84.3 | Confident | 42 Ų | 42 | 19.3 Ų | 19.3 | 18% | 0.183 | 11% | 0.112 | C | C | . | . | trans | -59 | 136.1 | 173.5 | -177.2 | 164.2 | 177.8 | 142.3 | 0 | 110.3 | K549 E551 D554 S578 T583 | K549-K580 PolarHBondContact O-NZ 3.3Å; E551-K580 WeakPolarHBondContact OE2-CE 3.24Å; E551-K580 IonicContact OE2-NZ 2.65Å; E551-K580 PolarHBondContact OE2-NZ 3.38Å; D554-K580 HydrophobicContact CB-CB 4.38Å; D554-K580 HydrophobicContact CB-CD 4.48Å; D554-K580 PolarHBondContact O-N 3.23Å; S578-K580 PolarHBondContact O-N 3.43Å; S578-K580 VanDerWaalsContact OG-CB 3.25Å; S578-K580 WeakPolarHBondContact OG-CB 3.46Å; S578-K580 PolarHBondContact OG-N 3.37Å; S578-K580 VanDerWaalsContact OG-N 3.15Å; K580-T583 HydrophobicContact CB-CG2 4.31Å; K580-T583 WeakPolarHBondContact CB-OG1 3.27Å; K580-T583 HydrophobicContact CD-CG2 4.05Å; K580-T583 HydrophobicContact CG-CG2 3.9Å; K580-T583 PolarHBondContact O-OG1 3.39Å | ||
| 581 | L | 78.2 | Confident | 84.3 | Confident | 91 Ų | 91 | 17.7 Ų | 17.7 | 48% | 0.476 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 140 | -179.2 | -70 | 172.6 | 0 | 0 | 0 | 110.4 | L69 H71 L579 T583 | L69-L581 HydrophobicContact CD2-CD2 4.29Å; H71-L581 VanDerWaalsContact CE1-CD2 3.41Å; H71-L581 WeakPolarHBondContact CE1-CD2 3.31Å; L579-L581 PolarHBondContact O-N 3.21Å; L581-T583 VanDerWaalsContact C-N 3.27Å; L581-T583 PolarHBondContact O-N 3.41Å |
| 582 | N | 77 | Confident | 84.2 | Confident | 54 Ų | 54 | 19.5 Ų | 19.5 | 29% | 0.289 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 32.9 | 173.3 | -157.8 | 1.1 | 0 | 0 | 0 | 114.5 | K52 N68 | K52-N582 WeakPolarHBondContact CE-OD1 3.29Å; K52-N582 PolarHBondContact NZ-ND2 3.4Å; K52-N582 VanDerWaalsContact NZ-ND2 3.14Å; K52-N582 PolarHBondContact NZ-O 3.41Å; K52-N582 PolarHBondContact NZ-OD1 3.49Å; N68-N582 PolarHBondContact OD1-ND2 3.38Å |
| 583 | T | 80.1 | Confident | 83.9 | Confident | 22 Ų | 22 | 19.2 Ų | 19.2 | 14% | 0.135 | 10% | 0.1 | C | C | . | . | trans | -122.2 | 121.2 | 171.1 | 52.2 | 0 | 0 | 0 | 0 | 111.3 | K580 L581 | K580-T583 HydrophobicContact CB-CG2 4.31Å; K580-T583 WeakPolarHBondContact CB-OG1 3.27Å; K580-T583 HydrophobicContact CD-CG2 4.05Å; K580-T583 HydrophobicContact CG-CG2 3.9Å; K580-T583 PolarHBondContact O-OG1 3.39Å; L581-T583 VanDerWaalsContact C-N 3.27Å; L581-T583 PolarHBondContact O-N 3.41Å | ||
| 584 | V | 83.4 | Confident | 83.7 | Confident | 13 Ų | 13 | 19.2 Ų | 19.2 | 8% | 0.079 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 165.3 | 168.8 | -68.4 | 0 | 0 | 0 | 0 | 111.3 | S48 L51 K52 V55 | S48-V584 WeakPolarHBondContact O-CG2 3.43Å; L51-V584 HydrophobicContact CB-CG2 4.19Å; L51-V584 HydrophobicContact CD2-CB 3.94Å; L51-V584 HydrophobicContact CD2-CG2 3.76Å; L51-V584 HydrophobicContact CG-CB 4.25Å; L51-V584 HydrophobicContact CG-CG1 4.48Å; L51-V584 HydrophobicContact CG-CG2 4.08Å; K52-V584 HydrophobicContact CB-CG1 4.24Å; K52-V584 HydrophobicContact CB-CG2 4.14Å; V55-V584 HydrophobicContact CB-CG1 4.23Å; V55-V584 HydrophobicContact CG1-CG1 4.32Å; V55-V584 HydrophobicContact CG2-CG1 4.11Å |
| 585 | P | 87.4 | Confident | 83.5 | Confident | 9 Ų | 9 | 21.2 Ų | 21.2 | 6% | 0.058 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 144.2 | 178.9 | -23.1 | 33.5 | 0 | 0 | 0 | 113.2 | V75 F92 V576 T577 | V75-P585 HydrophobicContact CG2-CB 4.19Å; V75-P585 HydrophobicContact CG2-CG 4.32Å; F92-P585 HydrophobicContact CB-CG 3.82Å; F92-P585 HydrophobicContact CD1-CG 3.96Å; F92-P585 HydrophobicContact CD2-CG 4.41Å; F92-P585 HydrophobicContact CG-CG 3.81Å; V576-P585 WeakPolarHBondContact O-CA 3.38Å; T577-P585 HydrophobicContact CG2-CB 4.25Å; T577-P585 HydrophobicContact CG2-CG 4.09Å |
| 586 | Y | 86.3 | Confident | 83.4 | Confident | 18 Ų | 18 | 21.2 Ų | 21.2 | 7% | 0.071 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.8 | 177.6 | -65.4 | -78.9 | 0 | 0 | 0 | 110.8 | P548 F556 A575 V576 | P548-Y586 HydrophobicContact CB-CD1 4.17Å; P548-Y586 HydrophobicContact CB-CE1 3.73Å; P548-Y586 HydrophobicContact CG-CD1 3.63Å; P548-Y586 HydrophobicContact CG-CE1 3.68Å; P548-Y586 HydrophobicContact CG-CG 4.1Å; F556-Y586 HydrophobicContact CD2-CD2 4.03Å; F556-Y586 HydrophobicContact CD2-CE2 4.24Å; F556-Y586 AromaticContact CE2-CD2 3.73Å; F556-Y586 HydrophobicContact CE2-CD2 3.73Å; F556-Y586 HydrophobicContact CE2-CE2 4.32Å; F556-Y586 HydrophobicContact CE2-CG 4.33Å; A575-Y586 CarbonylContact C-O 3.48Å; A575-Y586 VanDerWaalsContact CA-O 3.24Å; A575-Y586 WeakPolarHBondContact CA-O 3.3Å; V576-Y586 PolarHBondContact N-O 2.79Å; V576-Y586 PolarHBondContact O-N 2.94Å |
| 587 | L | 85.4 | Confident | 83.3 | Confident | 21 Ų | 21 | 24.9 Ų | 24.9 | 11% | 0.11 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.5 | 174.8 | -174.8 | 66.8 | 0 | 0 | 0 | 110.7 | F42 L90 L129 F564 E573 | F42-L587 PolarHBondContact N-O 3Å; L90-L587 HydrophobicContact CD2-CD1 4.42Å; L129-L587 HydrophobicContact CD1-CD2 4.46Å; F564-L587 HydrophobicContact CE2-CD1 4.33Å; F564-L587 HydrophobicContact CZ-CD1 3.81Å; E573-L587 HydrophobicContact CB-CD1 4.24Å |
| 588 | F | 85.4 | Confident | 83.2 | Confident | 7 Ų | 7 | 25.8 Ų | 25.8 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.8 | 176.1 | -67.3 | -91.7 | 0 | 0 | 0 | 110.1 | F39 R40 Q41 I545 P548 F556 E573 F574 V576 | F39-F588 HydrophobicContact CB-CB 4.41Å; F39-F588 HydrophobicContact CD1-CB 4.4Å; R40-F588 WeakPolarHBondContact O-CA 3.45Å; Q41-F588 HydrophobicContact CB-CD1 4.03Å; Q41-F588 HydrophobicContact CB-CE1 3.67Å; Q41-F588 HydrophobicContact CB-CZ 4.35Å; Q41-F588 HydrophobicContact CG-CE1 4.31Å; I545-F588 HydrophobicContact CD1-CD1 4.42Å; I545-F588 HydrophobicContact CG2-CD1 4.13Å; I545-F588 HydrophobicContact CG2-CE1 3.4Å; I545-F588 HydrophobicContact CG2-CE2 4.35Å; I545-F588 HydrophobicContact CG2-CZ 3.54Å; P548-F588 HydrophobicContact CG-CZ 4.35Å; F556-F588 HydrophobicContact CE2-CE2 4.25Å; F556-F588 HydrophobicContact CE2-CZ 4.26Å; F556-F588 AromaticContact CZ-CE2 3.87Å; F556-F588 HydrophobicContact CZ-CE2 3.87Å; F556-F588 AromaticContact CZ-CZ 3.73Å; F556-F588 HydrophobicContact CZ-CZ 3.73Å; E573-F588 VanDerWaalsContact CA-O 3.27Å; E573-F588 WeakPolarHBondContact CA-O 3.49Å; E573-F588 WeakPolarHBondContact CB-O 3.42Å; F574-F588 HydrophobicContact CD1-CB 4.01Å; F574-F588 HydrophobicContact CE1-CB 3.67Å; F574-F588 HydrophobicContact CE1-CG 4.29Å; F574-F588 HydrophobicContact CZ-CB 4.15Å; F574-F588 HydrophobicContact CZ-CD2 4.31Å; F574-F588 HydrophobicContact CZ-CG 4.28Å; F574-F588 PolarHBondContact N-O 2.86Å; F574-F588 PolarHBondContact O-N 3.36Å; V576-F588 HydrophobicContact CB-CE2 4.09Å; V576-F588 HydrophobicContact CG2-CD2 3.84Å; V576-F588 HydrophobicContact CG2-CE2 3.75Å |
| 589 | T | 79.3 | Confident | 83.2 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 9% | 0.092 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145.9 | -177.8 | 177 | 0 | 0 | 0 | 0 | 111 | F39 R40 F42 E573 K763 | F39-T589 WeakPolarHBondContact CA-O 3.29Å; R40-T589 PolarHBondContact N-O 3.05Å; R40-T589 PolarHBondContact O-N 2.8Å; F42-T589 HydrophobicContact CD2-CG2 3.95Å; E573-T589 VanDerWaalsContact OE1-CB 3.25Å; E573-T589 WeakPolarHBondContact OE1-CB 3.23Å; E573-T589 PolarHBondContact OE1-OG1 3.15Å; T589-K763 PolarHBondContact OG1-NZ 2.95Å |
| 590 | M | 80.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -106.3 | 114.7 | 176.6 | 178.6 | 163.2 | -177.4 | 0 | 0 | 110.2 | I38 F39 I490 W571 L593 K763 | I38-M590 HydrophobicContact CG2-CE 3.44Å; I38-M590 VanDerWaalsContact CG2-CE 3.44Å; I38-M590 HydrophobicContact CG2-CG 4.13Å; I38-M590 HydrophobicContact CG2-SD 3.66Å; F39-M590 HydrophobicContact CD1-CB 4.01Å; F39-M590 HydrophobicContact CE1-CB 3.88Å; F39-M590 HydrophobicContact CZ-CB 4.5Å; F39-M590 HydrophobicContact CZ-SD 4.43Å; I490-M590 HydrophobicContact CB-CE 4.29Å; I490-M590 HydrophobicContact CB-SD 3.87Å; I490-M590 HydrophobicContact CG2-SD 4.23Å; I490-M590 WeakPolarHBondContact O-CE 3.41Å; W571-M590 HydrophobicContact CB-CB 4.17Å; W571-M590 HydrophobicContact CB-CG 4.12Å; W571-M590 HydrophobicContact CB-SD 4.49Å; W571-M590 HydrophobicContact CD2-CE 4.32Å; W571-M590 HydrophobicContact CE3-CE 3.54Å; W571-M590 HydrophobicContact CE3-SD 3.81Å; W571-M590 HydrophobicContact CZ3-CE 3.81Å; M590-L593 HydrophobicContact CE-CB 3.95Å; M590-L593 HydrophobicContact CE-CD2 4.32Å; M590-K763 WeakPolarHBondContact O-CE 3.46Å; M590-K763 PolarHBondContact O-NZ 3.18Å; M590-K763 VanDerWaalsContact O-NZ 3.14Å | ||
| 591 | P | 74.3 | Confident | 83.5 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 5% | 0.045 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 149.3 | 168.4 | -15.7 | 29.4 | 0 | 0 | 0 | 110.9 | I38 R40 L593 L768 | I38-P591 WeakPolarHBondContact O-CD 3.32Å; R40-P591 HydrophobicContact CG-CG 4.49Å; P591-L593 PolarHBondContact O-N 3.23Å; P591-L593 VanDerWaalsContact O-N 3.17Å; P591-L768 HydrophobicContact CB-CD1 4.22Å; P591-L768 HydrophobicContact CB-CG 4.22Å; P591-L768 HydrophobicContact CG-CD1 4.12Å; P591-L768 HydrophobicContact CG-CG 4.33Å |
| 592 | K | 76 | Confident | 83.9 | Confident | 40 Ų | 40 | 30.1 Ų | 30.1 | 17% | 0.174 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -48.6 | 123.7 | 176.4 | -67.1 | -166.4 | 171.9 | -107.4 | 0 | 112.1 | D569 P767 L768 | D569-K592 PolarHBondContact O-NZ 3.37Å; D569-K592 WeakPolarHBondContact OD2-CG 3.48Å; K592-P767 HydrophobicContact CB-CB 4.27Å; K592-P767 CarbonylContact O-C 3.21Å; K592-P767 VanDerWaalsContact O-CA 3.28Å; K592-P767 WeakPolarHBondContact O-CA 3.44Å; K592-P767 VanDerWaalsContact O-CB 3.24Å; K592-P767 WeakPolarHBondContact O-CB 3.33Å; K592-L768 PolarHBondContact O-N 3.42Å |
| 593 | L | 78 | Confident | 84 | Confident | 8 Ų | 8 | 30.2 Ų | 30.2 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122 | 172.2 | 174.9 | 53.9 | 0 | 0 | 0 | 110.3 | F33 W571 M590 P591 L628 L768 | F33-L593 HydrophobicContact CE1-CD1 4.45Å; F33-L593 HydrophobicContact CE2-CD1 3.66Å; F33-L593 HydrophobicContact CE2-CD2 4Å; F33-L593 HydrophobicContact CE2-CG 4.49Å; F33-L593 HydrophobicContact CZ-CD1 3.35Å; F33-L593 HydrophobicContact CZ-CD2 3.8Å; F33-L593 HydrophobicContact CZ-CG 4.16Å; W571-L593 HydrophobicContact CH2-CB 3.7Å; W571-L593 HydrophobicContact CH2-CG 4.43Å; W571-L593 HydrophobicContact CZ2-CB 3.9Å; W571-L593 VanDerWaalsContact CZ2-O 3.28Å; W571-L593 WeakPolarHBondContact CZ2-O 3.43Å; W571-L593 HydrophobicContact CZ3-CB 4.08Å; M590-L593 HydrophobicContact CE-CB 3.95Å; M590-L593 HydrophobicContact CE-CD2 4.32Å; P591-L593 PolarHBondContact O-N 3.23Å; P591-L593 VanDerWaalsContact O-N 3.17Å; L593-L628 HydrophobicContact CD2-CD1 3.99Å; L593-L628 HydrophobicContact CG-CD1 3.88Å; L593-L768 WeakPolarHBondContact CA-O 3.22Å; L593-L768 HydrophobicContact CD1-CB 4.18Å |
| 594 | L | 82.2 | Confident | 83.8 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 147.6 | 177.8 | -54.6 | 176 | 0 | 0 | 0 | 110.1 | L625 Y626 D627 I634 P767 L768 I769 D770 | L594-L625 HydrophobicContact CD1-CB 4.41Å; L594-L625 HydrophobicContact CD1-CD1 3.96Å; L594-Y626 CarbonylContact C-O 3.52Å; L594-Y626 WeakPolarHBondContact CA-O 3.45Å; L594-D627 HydrophobicContact CD2-CB 3.87Å; L594-I634 HydrophobicContact CD1-CD1 3.65Å; L594-I634 HydrophobicContact CD2-CD1 3.65Å; L594-I634 HydrophobicContact CD2-CG1 4.42Å; L594-I634 HydrophobicContact CG-CD1 4.32Å; L594-P767 HydrophobicContact CD1-CB 3.5Å; L594-P767 VanDerWaalsContact CD1-CB 3.5Å; L594-P767 HydrophobicContact CD1-CG 3.65Å; L594-P767 HydrophobicContact CG-CB 3.9Å; L594-L768 PolarHBondContact N-O 3.4Å; L594-I769 HydrophobicContact CB-CG1 4.25Å; L594-I769 WeakPolarHBondContact O-CA 3.32Å; L594-D770 PolarHBondContact O-N 2.79Å |
| 595 | K | 85.8 | Confident | 83.3 | Confident | 43 Ų | 43 | 38.2 Ų | 38.2 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.2 | 168.8 | -165.7 | 173.4 | -163.9 | -165 | 0 | 110.3 | L625 Y626 L628 D770 E773 | K595-L625 WeakPolarHBondContact O-CA 3.26Å; K595-Y626 PolarHBondContact N-O 2.87Å; K595-Y626 PolarHBondContact O-N 3.27Å; K595-L628 HydrophobicContact CB-CD2 4.26Å; K595-D770 VanDerWaalsContact CE-OD2 3.23Å; K595-D770 WeakPolarHBondContact CE-OD2 3.41Å; K595-D770 HydrophobicContact CG-CB 4.31Å; K595-E773 VanDerWaalsContact CE-OE1 3.24Å; K595-E773 WeakPolarHBondContact CE-OE1 3.21Å; K595-E773 IonicContact NZ-OE1 3.56Å; K595-E773 PolarHBondContact NZ-OE1 3.34Å |
| 596 | S | 89.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 145 | 169.6 | 67.8 | 0 | 0 | 0 | 0 | 111.1 | R624 D770 W771 C774 | S596-R624 CarbonylContact C-O 3.55Å; S596-R624 VanDerWaalsContact CA-O 3.3Å; S596-R624 WeakPolarHBondContact CA-O 3.3Å; S596-D770 WeakPolarHBondContact CB-O 3.49Å; S596-D770 PolarHBondContact N-O 2.84Å; S596-D770 PolarHBondContact OG-O 2.85Å; S596-W771 WeakPolarHBondContact OG-CA 3.26Å; S596-C774 PolarHBondContact OG-SG 2.95Å |
| 597 | Q | 90.8 | Very high | 81.6 | Confident | 77 Ų | 77 | 42.6 Ų | 42.6 | 36% | 0.36 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 122.2 | 170.8 | 179.8 | 178.1 | 63.2 | 0 | 0 | 108.1 | V623 R624 Y633 | Q597-V623 WeakPolarHBondContact O-CA 3.41Å; Q597-R624 PolarHBondContact N-O 2.89Å; Q597-R624 PolarHBondContact O-N 2.73Å; Q597-Y633 PolarHBondContact OE1-OH 2.71Å |
| 598 | C | 90.5 | Very high | 80.4 | Confident | 19 Ų | 19 | 49 Ų | 49 | 13% | 0.128 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 151.7 | -177.4 | -79.8 | 0 | 0 | 0 | 0 | 112.5 | M621 N622 C774 | C598-M621 HydrophobicContact CB-CG 4.28Å; C598-M621 HydrophobicContact CB-SD 4.18Å; C598-M621 VanDerWaalsContact SG-SD 3.64Å; C598-N622 CarbonylContact C-O 3.6Å; C598-N622 WeakPolarHBondContact CA-O 3.41Å; C598-C774 HydrophobicContact CB-CB 3.74Å; C598-C774 WeakPolarHBondContact CB-SG 3.44Å; C598-C774 WeakPolarHBondContact SG-CB 3.39Å; C598-C774 CovalentContact SG-SG 2.03Å; C598-C774 PolarHBondContact SG-SG 3.29Å |
| 599 | R | 89.9 | Confident | 79.3 | Confident | 170 Ų | 170 | 53.4 Ų | 53.4 | 64% | 0.642 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 122.3 | 168.4 | 179.6 | 175.2 | 173.7 | 153.3 | 3.2 | 110.1 | N601 M621 N622 | R599-N601 PolarHBondContact NE-OD1 3.07Å; R599-M621 WeakPolarHBondContact O-CA 3.36Å; R599-N622 PolarHBondContact N-O 2.9Å; R599-N622 PolarHBondContact O-N 3.26Å |
| 600 | V | 87.4 | Confident | 78.6 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.3 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | F619 M621 Q776 I778 | V600-F619 HydrophobicContact CG1-CD1 3.74Å; V600-F619 HydrophobicContact CG1-CE1 4.45Å; V600-M621 HydrophobicContact CG2-CB 4.48Å; V600-M621 HydrophobicContact CG2-CE 3.42Å; V600-M621 VanDerWaalsContact CG2-CE 3.42Å; V600-M621 HydrophobicContact CG2-CG 4.22Å; V600-Q776 HydrophobicContact CG2-CB 4.05Å; V600-I778 HydrophobicContact CG1-CD1 4.22Å |
| 601 | N | 87.1 | Confident | 78.2 | Confident | 51 Ų | 51 | 60.1 Ų | 60.1 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.9 | 175.1 | -60.9 | -38.3 | 0 | 0 | 0 | 109.7 | R599 E620 | R599-N601 PolarHBondContact NE-OD1 3.07Å; N601-E620 HydrophobicContact CB-CB 4.48Å; N601-E620 PolarHBondContact N-O 3.14Å; N601-E620 PolarHBondContact O-N 2.96Å |
| 602 | I | 85.5 | Confident | 78.5 | Confident | 48 Ų | 48 | 69.7 Ų | 69.7 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | trans | -133.6 | 140.5 | 176.6 | -48.8 | 173.5 | 0 | 0 | 0 | 107.2 | I617 F619 I778 | I602-I617 HydrophobicContact CG2-CG2 4.03Å; I602-F619 HydrophobicContact CD1-CD1 3.96Å; I602-F619 HydrophobicContact CD1-CE1 3.32Å; I602-F619 HydrophobicContact CD1-CZ 4.02Å; I602-F619 HydrophobicContact CG1-CD1 3.64Å; I602-F619 HydrophobicContact CG1-CE1 3.55Å; I602-F619 HydrophobicContact CG1-CZ 4.41Å; I602-I778 HydrophobicContact CD1-CB 4.38Å; I602-I778 HydrophobicContact CD1-CD1 3.93Å; I602-I778 HydrophobicContact CD1-CG1 4.21Å; I602-I778 HydrophobicContact CD1-CG2 3.32Å | ||
| 603 | P | 80.6 | Confident | 78.9 | Confident | 55 Ų | 55 | 74.7 Ų | 74.7 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | trans | -60.9 | 131.5 | 172.6 | -22.1 | 33.9 | 0 | 0 | 0 | 111 | L605 Y606 P618 | P603-L605 PolarHBondContact O-N 2.8Å; P603-Y606 HydrophobicContact CB-CD2 4.02Å; P603-Y606 HydrophobicContact CB-CE2 4.27Å; P603-Y606 HydrophobicContact CG-CD2 4.25Å; P603-Y606 HydrophobicContact CG-CE2 4.32Å; P603-Y606 PolarHBondContact O-N 3.41Å; P603-P618 WeakPolarHBondContact CD-O 3.2Å; P603-P618 HydrophobicContact CG-CG 3.91Å | ||
| 604 | P | 74.4 | Confident | 79.3 | Confident | 95 Ų | 95 | 76.7 Ų | 76.7 | 62% | 0.617 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.7 | -174.5 | -28.5 | 34.9 | 0 | 0 | 0 | 115.2 | Y606 S607 | P604-Y606 PolarHBondContact O-N 3.13Å; P604-S607 PolarHBondContact O-N 3.45Å; P604-S607 PolarHBondContact O-OG 3.23Å |
| 605 | L | 74.2 | Confident | 79.5 | Confident | 108 Ų | 108 | 78.5 Ų | 78.5 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -52.3 | -39 | 175 | -171.1 | 65.9 | 0 | 0 | 0 | 112.6 | P603 L609 | P603-L605 PolarHBondContact O-N 2.8Å; L605-L609 HydrophobicContact CD1-CD1 3.56Å; L605-L609 HydrophobicContact CG-CD1 3.74Å; L605-L609 PolarHBondContact O-N 2.96Å |
| 606 | Y | 72.4 | Confident | 79.6 | Confident | 62 Ų | 62 | 80 Ų | 80 | 24% | 0.243 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -84.1 | -12.8 | -175 | -64.3 | -81.7 | 0 | 0 | 0 | 114.3 | P603 P604 T615 I617 P618 L780 | P603-Y606 HydrophobicContact CB-CD2 4.02Å; P603-Y606 HydrophobicContact CB-CE2 4.27Å; P603-Y606 HydrophobicContact CG-CD2 4.25Å; P603-Y606 HydrophobicContact CG-CE2 4.32Å; P603-Y606 PolarHBondContact O-N 3.41Å; P604-Y606 PolarHBondContact O-N 3.13Å; Y606-T615 HydrophobicContact CE1-CG2 4.44Å; Y606-I617 HydrophobicContact CD1-CB 4.46Å; Y606-I617 HydrophobicContact CD1-CG1 4.01Å; Y606-I617 HydrophobicContact CD1-CG2 4.29Å; Y606-I617 HydrophobicContact CG-CG2 4.02Å; Y606-P618 HydrophobicContact CD2-CG 4.37Å; Y606-P618 VanDerWaalsContact CE2-CD 3.45Å; Y606-P618 HydrophobicContact CE2-CG 3.79Å; Y606-L780 WeakPolarHBondContact O-CD2 3.34Å |
| 607 | S | 65.8 | Low | 79.5 | Confident | 58 Ų | 58 | 80 Ų | 80 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -84.5 | -12 | 173.3 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | P604 | P604-S607 PolarHBondContact O-N 3.45Å; P604-S607 PolarHBondContact O-OG 3.23Å |
| 608 | M | 59.5 | Low | 79.5 | Confident | 155 Ų | 155 | 78.1 Ų | 78.1 | 76% | 0.764 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -112.2 | -18.7 | -176 | -58 | -175.4 | -174.6 | 0 | 0 | 114.4 | ||
| 609 | L | 61.1 | Low | 79.4 | Confident | 99 Ų | 99 | 77.6 Ų | 77.6 | 52% | 0.518 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -97.5 | 143.1 | -173 | -82.7 | 166.9 | 0 | 0 | 0 | 113.9 | L605 F611 | L605-L609 HydrophobicContact CD1-CD1 3.56Å; L605-L609 HydrophobicContact CG-CD1 3.74Å; L605-L609 PolarHBondContact O-N 2.96Å; L609-F611 WeakPolarHBondContact O-CD1 3.39Å; L609-F611 PolarHBondContact O-N 3.45Å |
| 610 | H | 65.8 | Low | 79.4 | Confident | 142 Ų | 142 | 72.2 Ų | 72.2 | 66% | 0.657 | 38% | 0.378 | S | S | * | . | trans | -71.6 | 111.2 | 169.6 | -71.9 | 60.1 | 0 | 0 | 0 | 109.7 | L729 | H610-L729 HydrophobicContact CB-CD2 4.35Š| ||
| 611 | F | 72.5 | Confident | 79.5 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -91.5 | 144 | 177.4 | 44.4 | -93.8 | 0 | 0 | 0 | 112.6 | L609 T615 F698 A725 L729 M732 L734 L780 | L609-F611 WeakPolarHBondContact O-CD1 3.39Å; L609-F611 PolarHBondContact O-N 3.45Å; F611-T615 HydrophobicContact CB-CG2 3.83Å; F611-F698 HydrophobicContact CE2-CZ 4.4Å; F611-A725 HydrophobicContact CD2-CB 4.13Å; F611-L729 HydrophobicContact CD2-CB 4.01Å; F611-L729 HydrophobicContact CE1-CB 4.43Å; F611-L729 HydrophobicContact CE1-CD1 3.94Å; F611-L729 HydrophobicContact CE2-CB 3.89Å; F611-L729 HydrophobicContact CE2-CD1 4.1Å; F611-L729 HydrophobicContact CG-CB 4.35Å; F611-L729 HydrophobicContact CZ-CB 4.13Å; F611-L729 HydrophobicContact CZ-CD1 3.56Å; F611-L729 HydrophobicContact CZ-CG 4.36Å; F611-L729 PolarHBondContact O-N 2.84Å; F611-M732 HydrophobicContact CE2-SD 3.99Å; F611-L734 HydrophobicContact CE2-CD1 4.13Å; F611-L734 HydrophobicContact CZ-CD1 3.53Å; F611-L780 HydrophobicContact CE1-CB 4.36Å; F611-L780 HydrophobicContact CE1-CD1 4.02Å; F611-L780 HydrophobicContact CE1-CD2 4.37Å; F611-L780 HydrophobicContact CE1-CG 4.46Å; F611-L780 HydrophobicContact CZ-CD1 3.91Å |
| 612 | R | 79.6 | Confident | 79.7 | Confident | 208 Ų | 208 | 71 Ų | 71 | 79% | 0.785 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -95.4 | 163.1 | 174.8 | -62.3 | -179.1 | -179.8 | -179.1 | -0.7 | 110.2 | G614 T615 | R612-G614 PolarHBondContact O-N 2.91Å; R612-T615 PolarHBondContact N-OG1 3.45Å; R612-T615 VanDerWaalsContact N-OG1 3.09Å; R612-T615 WeakPolarHBondContact O-CB 3.27Å; R612-T615 PolarHBondContact O-N 2.86Å; R612-T615 PolarHBondContact O-OG1 2.71Å |
| 613 | K | 85 | Confident | 79.9 | Confident | 145 Ų | 145 | 68.7 Ų | 68.7 | 63% | 0.63 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 131.4 | 165.2 | 177.2 | 165.8 | -173.9 | 151.6 | 0 | 110.6 | M726 Y727 | K613-M726 WeakPolarHBondContact CD-O 3.34Å; K613-M726 WeakPolarHBondContact CE-O 3.18Å; K613-M726 WeakPolarHBondContact CG-O 3.43Å; K613-M726 PolarHBondContact NZ-O 2.79Å; K613-Y727 WeakPolarHBondContact CA-O 3.14Å; K613-Y727 PolarHBondContact N-O 3.2Å |
| 614 | G | 84.9 | Confident | 80.4 | Confident | 50 Ų | 50 | 71.5 Ų | 71.5 | 52% | 0.515 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -5.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | R612 T616 A725 | R612-G614 PolarHBondContact O-N 2.91Å; G614-T616 PolarHBondContact O-N 3.33Å; G614-A725 PolarHBondContact N-O 2.88Å |
| 615 | T | 87.7 | Confident | 81.1 | Confident | 39 Ų | 39 | 67 Ų | 67 | 24% | 0.239 | 33% | 0.334 | C | S | . | . | trans | -65.3 | 125.2 | 179 | -53.3 | 0 | 0 | 0 | 0 | 111 | Y606 F611 R612 T724 A725 | Y606-T615 HydrophobicContact CE1-CG2 4.44Å; F611-T615 HydrophobicContact CB-CG2 3.83Å; R612-T615 PolarHBondContact N-OG1 3.45Å; R612-T615 VanDerWaalsContact N-OG1 3.09Å; R612-T615 WeakPolarHBondContact O-CB 3.27Å; R612-T615 PolarHBondContact O-N 2.86Å; R612-T615 PolarHBondContact O-OG1 2.71Å; T615-T724 WeakPolarHBondContact O-CA 3.4Å; T615-A725 PolarHBondContact O-N 2.82Å | ||
| 616 | T | 87.7 | Confident | 81.7 | Confident | 74 Ų | 74 | 65.4 Ų | 65.4 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.9 | 174.2 | 42 | 0 | 0 | 0 | 0 | 110.6 | G614 T724 | G614-T616 PolarHBondContact O-N 3.33Å; T616-T724 HydrophobicContact CG2-CG2 3.54Å |
| 617 | I | 87.9 | Confident | 82.2 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.3 | 176 | -54.9 | 176.8 | 0 | 0 | 0 | 108.3 | I602 Y606 F619 F698 H722 L723 | I602-I617 HydrophobicContact CG2-CG2 4.03Å; Y606-I617 HydrophobicContact CD1-CB 4.46Å; Y606-I617 HydrophobicContact CD1-CG1 4.01Å; Y606-I617 HydrophobicContact CD1-CG2 4.29Å; Y606-I617 HydrophobicContact CG-CG2 4.02Å; I617-F619 HydrophobicContact CB-CD2 4.47Å; I617-F619 HydrophobicContact CB-CE2 3.77Å; I617-F619 HydrophobicContact CG2-CD2 4.11Å; I617-F619 HydrophobicContact CG2-CE2 3.44Å; I617-F619 VanDerWaalsContact CG2-CE2 3.44Å; I617-F619 HydrophobicContact CG2-CZ 3.86Å; I617-F619 VanDerWaalsContact O-CD2 3.32Å; I617-F619 WeakPolarHBondContact O-CD2 3.47Å; I617-F698 HydrophobicContact CD1-CE1 4.14Å; I617-H722 WeakPolarHBondContact O-CA 3.34Å; I617-L723 PolarHBondContact N-O 2.77Å; I617-L723 PolarHBondContact O-N 3.02Å |
| 618 | P | 89.9 | Confident | 82.7 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 24% | 0.24 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 134.2 | 175.4 | 31.6 | -33.5 | 0 | 0 | 0 | 111.5 | P603 Y606 | P603-P618 WeakPolarHBondContact CD-O 3.2Å; P603-P618 HydrophobicContact CG-CG 3.91Å; Y606-P618 HydrophobicContact CD2-CG 4.37Å; Y606-P618 VanDerWaalsContact CE2-CD 3.45Å; Y606-P618 HydrophobicContact CE2-CG 3.79Å |
| 619 | F | 89.2 | Confident | 83.3 | Confident | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.6 | 175.7 | -70.8 | -98.8 | 0 | 0 | 0 | 110.5 | V600 I602 I617 F721 L723 L739 I741 I778 | V600-F619 HydrophobicContact CG1-CD1 3.74Å; V600-F619 HydrophobicContact CG1-CE1 4.45Å; I602-F619 HydrophobicContact CD1-CD1 3.96Å; I602-F619 HydrophobicContact CD1-CE1 3.32Å; I602-F619 HydrophobicContact CD1-CZ 4.02Å; I602-F619 HydrophobicContact CG1-CD1 3.64Å; I602-F619 HydrophobicContact CG1-CE1 3.55Å; I602-F619 HydrophobicContact CG1-CZ 4.41Å; I617-F619 HydrophobicContact CB-CD2 4.47Å; I617-F619 HydrophobicContact CB-CE2 3.77Å; I617-F619 HydrophobicContact CG2-CD2 4.11Å; I617-F619 HydrophobicContact CG2-CE2 3.44Å; I617-F619 VanDerWaalsContact CG2-CE2 3.44Å; I617-F619 HydrophobicContact CG2-CZ 3.86Å; I617-F619 VanDerWaalsContact O-CD2 3.32Å; I617-F619 WeakPolarHBondContact O-CD2 3.47Å; F619-F721 HydrophobicContact CB-CD1 4.21Å; F619-F721 HydrophobicContact CB-CD2 3.91Å; F619-F721 HydrophobicContact CB-CE1 3.78Å; F619-F721 HydrophobicContact CB-CE2 3.43Å; F619-F721 VanDerWaalsContact CB-CE2 3.43Å; F619-F721 HydrophobicContact CB-CG 4.27Å; F619-F721 HydrophobicContact CB-CZ 3.37Å; F619-F721 HydrophobicContact CD1-CE2 4.4Å; F619-F721 HydrophobicContact CD1-CZ 4.34Å; F619-F721 HydrophobicContact CD2-CD2 4.43Å; F619-F721 AromaticContact CD2-CE2 3.97Å; F619-F721 HydrophobicContact CD2-CE2 3.97Å; F619-F721 HydrophobicContact CG-CD2 4.41Å; F619-F721 AromaticContact CG-CE2 3.7Å; F619-F721 HydrophobicContact CG-CE2 3.7Å; F619-F721 AromaticContact CG-CZ 3.91Å; F619-F721 HydrophobicContact CG-CZ 3.91Å; F619-F721 PolarHBondContact N-O 3.05Å; F619-F721 PolarHBondContact O-N 2.86Å; F619-F721 VanDerWaalsContact O-N 3.14Å; F619-L723 HydrophobicContact CD2-CB 4.28Å; F619-L723 HydrophobicContact CD2-CD1 4.12Å; F619-L723 HydrophobicContact CD2-CG 3.86Å; F619-L723 HydrophobicContact CE2-CB 3.87Å; F619-L723 HydrophobicContact CE2-CD1 3.65Å; F619-L723 HydrophobicContact CE2-CG 3.72Å; F619-L723 HydrophobicContact CZ-CD1 4.03Å; F619-L739 HydrophobicContact CZ-CD2 4.27Å; F619-I741 HydrophobicContact CD1-CD1 3.62Å; F619-I741 HydrophobicContact CE1-CD1 3.17Å; F619-I741 HydrophobicContact CE2-CD1 4.3Å; F619-I741 HydrophobicContact CG-CD1 4.34Å; F619-I741 HydrophobicContact CZ-CD1 3.58Å; F619-I778 HydrophobicContact CE1-CG1 4.28Å |
| 620 | E | 89.5 | Confident | 83.9 | Confident | 57 Ų | 57 | 57 Ų | 57 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.1 | 170.6 | -177.6 | -179.3 | 107.8 | 0 | 0 | 108.9 | N601 N622 V718 I719 K720 | N601-E620 HydrophobicContact CB-CB 4.48Å; N601-E620 PolarHBondContact N-O 3.14Å; N601-E620 PolarHBondContact O-N 2.96Å; E620-N622 PolarHBondContact OE1-ND2 2.66Å; E620-V718 HydrophobicContact CG-CG1 3.89Å; E620-I719 WeakPolarHBondContact CA-O 3.31Å; E620-K720 HydrophobicContact CG-CG 4.4Å; E620-K720 WeakPolarHBondContact OE2-CE 3.48Å; E620-K720 IonicContact OE2-NZ 3.96Å; E620-K720 PolarHBondContact OE2-NZ 2.9Å |
| 621 | M | 89.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126 | 174 | -176 | -173.8 | -81.3 | 0 | 0 | 110.1 | C598 R599 V600 V623 I719 F721 Y743 | C598-M621 HydrophobicContact CB-CG 4.28Å; C598-M621 HydrophobicContact CB-SD 4.18Å; C598-M621 VanDerWaalsContact SG-SD 3.64Å; R599-M621 WeakPolarHBondContact O-CA 3.36Å; V600-M621 HydrophobicContact CG2-CB 4.48Å; V600-M621 HydrophobicContact CG2-CE 3.42Å; V600-M621 VanDerWaalsContact CG2-CE 3.42Å; V600-M621 HydrophobicContact CG2-CG 4.22Å; M621-V623 HydrophobicContact CG-CG2 4.31Å; M621-V623 HydrophobicContact SD-CG2 4.38Å; M621-I719 HydrophobicContact CB-CB 4.4Å; M621-I719 PolarHBondContact N-O 2.9Å; M621-I719 PolarHBondContact O-N 3.21Å; M621-F721 HydrophobicContact CB-CE1 4.29Å; M621-Y743 WeakPolarHBondContact SD-CB 2.92Å; M621-Y743 HydrophobicContact SD-CD1 3.77Å; M621-Y743 HydrophobicContact SD-CG 3.75Å |
| 622 | N | 90.6 | Very high | 85.1 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126 | 176.4 | -65.7 | -25.7 | 0 | 0 | 0 | 109.5 | C598 R599 E620 Y716 I717 | C598-N622 CarbonylContact C-O 3.6Å; C598-N622 WeakPolarHBondContact CA-O 3.41Å; R599-N622 PolarHBondContact N-O 2.9Å; R599-N622 PolarHBondContact O-N 3.26Å; E620-N622 PolarHBondContact OE1-ND2 2.66Å; N622-Y716 HydrophobicContact CB-CD2 4.16Å; N622-I717 CarbonylContact C-O 3.59Å; N622-I717 WeakPolarHBondContact CA-O 3.06Å |
| 623 | V | 90.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.7 | -173.8 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | Q597 M621 Y716 I717 I719 Y743 W771 | Q597-V623 WeakPolarHBondContact O-CA 3.41Å; M621-V623 HydrophobicContact CG-CG2 4.31Å; M621-V623 HydrophobicContact SD-CG2 4.38Å; V623-Y716 CarbonylContact O-C 3.59Å; V623-Y716 WeakPolarHBondContact O-CA 3.5Å; V623-Y716 VanDerWaalsContact O-CB 3.26Å; V623-Y716 WeakPolarHBondContact O-CB 3.43Å; V623-I717 HydrophobicContact CB-CB 4.24Å; V623-I717 PolarHBondContact N-O 3.49Å; V623-I717 PolarHBondContact O-N 2.79Å; V623-I719 HydrophobicContact CG2-CD1 3.84Å; V623-I719 HydrophobicContact CG2-CG1 4.34Å; V623-Y743 HydrophobicContact CG2-CD1 4.25Å; V623-Y743 HydrophobicContact CG2-CE1 4.03Å; V623-W771 HydrophobicContact CG1-CH2 4.35Å; V623-W771 HydrophobicContact CG1-CZ3 3.78Å |
| 624 | R | 91.2 | Very high | 85.2 | Confident | 114 Ų | 114 | 52.9 Ų | 52.9 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 157.9 | 171.3 | -69.8 | -178.2 | 173.6 | 175.7 | -2.4 | 110.9 | S596 Q597 Y633 | S596-R624 CarbonylContact C-O 3.55Å; S596-R624 VanDerWaalsContact CA-O 3.3Å; S596-R624 WeakPolarHBondContact CA-O 3.3Å; Q597-R624 PolarHBondContact N-O 2.89Å; Q597-R624 PolarHBondContact O-N 2.73Å; R624-Y633 HydrophobicContact CB-CD1 4.36Å; R624-Y633 HydrophobicContact CB-CE1 4.48Å |
| 625 | L | 88.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.8 | 176.8 | -59.3 | 179.2 | 0 | 0 | 0 | 111.2 | L594 K595 Y633 I634 I636 L640 I769 | L594-L625 HydrophobicContact CD1-CB 4.41Å; L594-L625 HydrophobicContact CD1-CD1 3.96Å; K595-L625 WeakPolarHBondContact O-CA 3.26Å; L625-Y633 WeakPolarHBondContact O-CA 3.23Å; L625-I634 HydrophobicContact CB-CG1 4.1Å; L625-I634 PolarHBondContact O-N 2.91Å; L625-I634 VanDerWaalsContact O-N 3.1Å; L625-I636 HydrophobicContact CD1-CG1 4.11Å; L625-I636 HydrophobicContact CD1-CG2 4.41Å; L625-I636 HydrophobicContact CG-CG1 4.24Å; L625-L640 HydrophobicContact CD1-CD1 4.32Å; L625-L640 HydrophobicContact CD1-CD2 4.12Å; L625-I769 HydrophobicContact CD1-CD1 4.18Å; L625-I769 HydrophobicContact CD2-CD1 3.79Å; L625-I769 HydrophobicContact CD2-CG1 4.26Å; L625-I769 HydrophobicContact CD2-CG2 4.16Å |
| 626 | Y | 87.1 | Confident | 84.9 | Confident | 73 Ų | 73 | 53.8 Ų | 53.8 | 29% | 0.286 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129.9 | 179.2 | -173.5 | -96.2 | 0 | 0 | 0 | 110.1 | L594 K595 L628 R631 Q632 Y633 | L594-Y626 CarbonylContact C-O 3.52Å; L594-Y626 WeakPolarHBondContact CA-O 3.45Å; K595-Y626 PolarHBondContact N-O 2.87Å; K595-Y626 PolarHBondContact O-N 3.27Å; Y626-L628 HydrophobicContact CD1-CD2 4.04Å; Y626-L628 HydrophobicContact CE1-CD2 4.28Å; Y626-R631 VanDerWaalsContact OH-CA 3.23Å; Y626-R631 WeakPolarHBondContact OH-CA 3Å; Y626-R631 PolarHBondContact OH-O 2.71Å; Y626-Q632 VanDerWaalsContact CD2-C 3.5Å; Y626-Y633 AromaticContact CD2-CD1 3.97Å; Y626-Y633 HydrophobicContact CD2-CD1 3.97Å; Y626-Y633 HydrophobicContact CD2-CD2 4.07Å; Y626-Y633 AromaticContact CD2-CE1 3.97Å; Y626-Y633 HydrophobicContact CD2-CE1 3.97Å; Y626-Y633 HydrophobicContact CD2-CE2 4.06Å; Y626-Y633 HydrophobicContact CD2-CG 4.02Å; Y626-Y633 HydrophobicContact CE2-CD2 4.49Å; Y626-Y633 HydrophobicContact CE2-CE2 4.38Å |
| 627 | D | 82.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.011 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121.7 | 177.7 | -176.2 | -49.1 | 0 | 0 | 0 | 109.2 | L594 H629 L630 R631 Q632 I634 | L594-D627 HydrophobicContact CD2-CB 3.87Å; D627-H629 PolarHBondContact OD1-N 3.36Å; D627-H629 VanDerWaalsContact OD1-N 3.14Å; D627-L630 HydrophobicContact CB-CB 4.19Å; D627-L630 PolarHBondContact OD1-N 2.9Å; D627-R631 WeakPolarHBondContact O-CA 3.31Å; D627-R631 PolarHBondContact O-N 2.84Å; D627-Q632 PolarHBondContact N-O 3.05Å; D627-Q632 PolarHBondContact O-N 2.87Å; D627-I634 HydrophobicContact CB-CG2 3.68Å |
| 628 | L | 76.5 | Confident | 83.3 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -35 | -170.9 | -61.9 | 171.1 | 0 | 0 | 0 | 112.5 | D491 W571 L593 K595 Y626 R631 | D491-L628 WeakPolarHBondContact O-CB 3.4Å; D491-L628 WeakPolarHBondContact O-CD1 3.41Å; W571-L628 HydrophobicContact CH2-CB 4.42Å; L593-L628 HydrophobicContact CD2-CD1 3.99Å; L593-L628 HydrophobicContact CG-CD1 3.88Å; K595-L628 HydrophobicContact CB-CD2 4.26Å; Y626-L628 HydrophobicContact CD1-CD2 4.04Å; Y626-L628 HydrophobicContact CE1-CD2 4.28Å; L628-R631 VanDerWaalsContact O-CG 3.31Å; L628-R631 WeakPolarHBondContact O-CG 3.26Å |
| 629 | H | 71.1 | Confident | 82.3 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -46 | 176 | -85.3 | -36.7 | 0 | 0 | 0 | 112.3 | D489 W571 D627 R631 | D489-H629 PolarHBondContact O-CE1 3.21Å; D489-H629 PolarHBondContact O-NE2 2.95Å; D489-H629 IonicContact OD1-CE1 3.15Å; D489-H629 IonicContact OD2-CE1 2.78Å; D489-H629 IonicContact OD2-ND1 3.21Å; W571-H629 AromaticContact CD2-CD2 3.54Å; W571-H629 AromaticContact CD2-NE2 3.77Å; W571-H629 AromaticContact CE2-CD2 3.5Å; W571-H629 VanDerWaalsContact CE2-CD2 3.5Å; W571-H629 AromaticContact CE3-CD2 3.52Å; W571-H629 AromaticContact CE3-NE2 3.3Å; W571-H629 VanDerWaalsContact CE3-NE2 3.3Å; W571-H629 AromaticContact CH2-CD2 3.5Å; W571-H629 AromaticContact CH2-CG 3.96Å; W571-H629 AromaticContact CH2-NE2 3.82Å; W571-H629 HydrophobicContact CZ2-CB 4.4Å; W571-H629 AromaticContact CZ2-CD2 3.52Å; W571-H629 AromaticContact CZ3-CD2 3.49Å; W571-H629 VanDerWaalsContact CZ3-CD2 3.49Å; W571-H629 WeakPolarHBondContact CZ3-CD2 3.44Å; W571-H629 AromaticContact CZ3-CE1 3.98Å; W571-H629 AromaticContact CZ3-NE2 3.32Å; W571-H629 VanDerWaalsContact CZ3-NE2 3.32Å; W571-H629 WeakPolarHBondContact CZ3-NE2 3.28Å; D627-H629 PolarHBondContact OD1-N 3.36Å; D627-H629 VanDerWaalsContact OD1-N 3.14Å; H629-R631 PolarHBondContact O-N 3.16Å |
| 630 | L | 75.1 | Confident | 81.7 | Confident | 100 Ų | 100 | 53.4 Ų | 53.4 | 52% | 0.524 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -11.4 | 179.8 | -60.6 | 179.1 | 0 | 0 | 0 | 112.7 | D627 Q632 | D627-L630 HydrophobicContact CB-CB 4.19Å; D627-L630 PolarHBondContact OD1-N 2.9Å; L630-Q632 HydrophobicContact CB-CG 3.82Å; L630-Q632 PolarHBondContact O-N 3.23Å |
| 631 | R | 76.9 | Confident | 81.1 | Confident | 156 Ų | 156 | 52.7 Ų | 52.7 | 59% | 0.589 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 34.4 | 179.7 | -62.9 | -175.1 | 174.2 | -172.5 | -4 | 113.8 | G492 D493 Y626 D627 L628 H629 | G492-R631 PolarHBondContact O-NH2 3.23Å; D493-R631 PolarHBondContact O-NH2 3.18Å; Y626-R631 VanDerWaalsContact OH-CA 3.23Å; Y626-R631 WeakPolarHBondContact OH-CA 3Å; Y626-R631 PolarHBondContact OH-O 2.71Å; D627-R631 WeakPolarHBondContact O-CA 3.31Å; D627-R631 PolarHBondContact O-N 2.84Å; L628-R631 VanDerWaalsContact O-CG 3.31Å; L628-R631 WeakPolarHBondContact O-CG 3.26Å; H629-R631 PolarHBondContact O-N 3.16Å |
| 632 | Q | 85.9 | Confident | 80.3 | Confident | 103 Ų | 103 | 54.1 Ų | 54.1 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 156.1 | -177.5 | 66.5 | -175.9 | -3.1 | 0 | 0 | 111.8 | Y626 D627 L630 | Y626-Q632 VanDerWaalsContact CD2-C 3.5Å; D627-Q632 PolarHBondContact N-O 3.05Å; D627-Q632 PolarHBondContact O-N 2.87Å; L630-Q632 HydrophobicContact CB-CG 3.82Å; L630-Q632 PolarHBondContact O-N 3.23Å |
| 633 | Y | 85 | Confident | 79.4 | Confident | 128 Ų | 128 | 56.6 Ų | 56.6 | 50% | 0.502 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 142.4 | 166.5 | -65 | -82.9 | 0 | 0 | 0 | 109.9 | Q597 R624 L625 Y626 | Q597-Y633 PolarHBondContact OE1-OH 2.71Å; R624-Y633 HydrophobicContact CB-CD1 4.36Å; R624-Y633 HydrophobicContact CB-CE1 4.48Å; L625-Y633 WeakPolarHBondContact O-CA 3.23Å; Y626-Y633 AromaticContact CD2-CD1 3.97Å; Y626-Y633 HydrophobicContact CD2-CD1 3.97Å; Y626-Y633 HydrophobicContact CD2-CD2 4.07Å; Y626-Y633 AromaticContact CD2-CE1 3.97Å; Y626-Y633 HydrophobicContact CD2-CE1 3.97Å; Y626-Y633 HydrophobicContact CD2-CE2 4.06Å; Y626-Y633 HydrophobicContact CD2-CG 4.02Å; Y626-Y633 HydrophobicContact CE2-CD2 4.49Å; Y626-Y633 HydrophobicContact CE2-CE2 4.38Å |
| 634 | I | 82.7 | Confident | 78.4 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 19% | 0.185 | 32% | 0.315 | C | S | . | . | trans | -115.8 | 154.8 | 178.8 | 65.9 | 162.4 | 0 | 0 | 0 | 111.6 | L594 L625 D627 | L594-I634 HydrophobicContact CD1-CD1 3.65Å; L594-I634 HydrophobicContact CD2-CD1 3.65Å; L594-I634 HydrophobicContact CD2-CG1 4.42Å; L594-I634 HydrophobicContact CG-CD1 4.32Å; L625-I634 HydrophobicContact CB-CG1 4.1Å; L625-I634 PolarHBondContact O-N 2.91Å; L625-I634 VanDerWaalsContact O-N 3.1Å; D627-I634 HydrophobicContact CB-CG2 3.68Å | ||
| 635 | N | 84.6 | Confident | 77.1 | Confident | 101 Ų | 101 | 60 Ų | 60 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 143.3 | 168.4 | -68.4 | 5 | 0 | 0 | 0 | 109.6 | P637 Q714 | N635-P637 WeakPolarHBondContact O-CD 3.28Å; N635-Q714 HydrophobicContact CB-CB 4.4Å |
| 636 | I | 81.4 | Confident | 76.3 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 125.9 | -172.9 | -65.5 | -174.9 | 0 | 0 | 0 | 110.4 | L625 A638 L640 L710 Q714 I717 | L625-I636 HydrophobicContact CD1-CG1 4.11Å; L625-I636 HydrophobicContact CD1-CG2 4.41Å; L625-I636 HydrophobicContact CG-CG1 4.24Å; I636-A638 PolarHBondContact O-N 3.29Å; I636-L640 HydrophobicContact CG2-CB 3.89Å; I636-L640 HydrophobicContact CG2-CD2 4.38Å; I636-L710 HydrophobicContact CB-CD1 3.91Å; I636-L710 HydrophobicContact CG2-CD1 4.24Å; I636-Q714 PolarHBondContact N-O 3.11Å; I636-I717 HydrophobicContact CD1-CB 4.34Å; I636-I717 HydrophobicContact CD1-CD1 3.97Å; I636-I717 HydrophobicContact CD1-CG1 3.68Å; I636-I717 HydrophobicContact CG2-CD1 3.7Å; I636-I717 HydrophobicContact CG2-CG1 3.88Å |
| 637 | P | 73.8 | Confident | 75.9 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 137.3 | 176.7 | -23.8 | 33.6 | 0 | 0 | 0 | 111.7 | N635 G639 L640 | N635-P637 WeakPolarHBondContact O-CD 3.28Å; P637-G639 PolarHBondContact O-N 2.76Å; P637-G639 VanDerWaalsContact O-N 3.16Å; P637-L640 VanDerWaalsContact O-CB 3.31Å; P637-L640 WeakPolarHBondContact O-CB 3.47Å; P637-L640 PolarHBondContact O-N 2.95Å |
| 638 | A | 67.9 | Low | 75.9 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 67% | 0.669 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -57 | -34.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I636 L640 I641 | I636-A638 PolarHBondContact O-N 3.29Å; A638-L640 PolarHBondContact O-N 2.91Å; A638-L640 VanDerWaalsContact O-N 3.12Å; A638-I641 PolarHBondContact O-N 3.19Å; A638-I641 VanDerWaalsContact O-N 3.15Å |
| 639 | G | 67.9 | Low | 76.4 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -62.6 | -11.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P637 I641 R646 | P637-G639 PolarHBondContact O-N 2.76Å; P637-G639 VanDerWaalsContact O-N 3.16Å; G639-I641 VanDerWaalsContact C-N 3.3Å; G639-R646 PolarHBondContact O-NH1 3.37Å |
| 640 | L | 77.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -79.1 | -10.8 | 174.2 | -126.3 | 102.3 | 0 | 0 | 0 | 114.4 | L625 I636 P637 A638 H648 I717 P767 I769 W771 | L625-L640 HydrophobicContact CD1-CD1 4.32Å; L625-L640 HydrophobicContact CD1-CD2 4.12Å; I636-L640 HydrophobicContact CG2-CB 3.89Å; I636-L640 HydrophobicContact CG2-CD2 4.38Å; P637-L640 VanDerWaalsContact O-CB 3.31Å; P637-L640 WeakPolarHBondContact O-CB 3.47Å; P637-L640 PolarHBondContact O-N 2.95Å; A638-L640 PolarHBondContact O-N 2.91Å; A638-L640 VanDerWaalsContact O-N 3.12Å; L640-H648 PolarHBondContact O-CE1 2.97Å; L640-I717 HydrophobicContact CB-CD1 4.26Å; L640-I717 HydrophobicContact CD2-CD1 3.56Å; L640-P767 HydrophobicContact CD1-CG 3.85Å; L640-I769 HydrophobicContact CD1-CD1 3.48Å; L640-I769 VanDerWaalsContact CD1-CD1 3.48Å; L640-I769 HydrophobicContact CD2-CD1 3.72Å; L640-I769 HydrophobicContact CG-CD1 4.08Å; L640-W771 HydrophobicContact CD2-CH2 4.21Å |
| 641 | I | 76.6 | Confident | 77.7 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -103.9 | -10.2 | -178.5 | -40.9 | -179.1 | 0 | 0 | 0 | 110.5 | A638 G639 T643 I708 L710 | A638-I641 PolarHBondContact O-N 3.19Å; A638-I641 VanDerWaalsContact O-N 3.15Å; G639-I641 VanDerWaalsContact C-N 3.3Å; I641-T643 PolarHBondContact O-N 3Å; I641-I708 HydrophobicContact CG2-CB 4.37Å; I641-I708 HydrophobicContact CG2-CG2 3.94Å; I641-L710 HydrophobicContact CD1-CB 3.63Å; I641-L710 HydrophobicContact CD1-CD1 3.99Å; I641-L710 HydrophobicContact CD1-CD2 4.1Å; I641-L710 HydrophobicContact CD1-CG 4.1Å |
| 642 | S | 73.1 | Confident | 78.1 | Confident | 31 Ų | 31 | 52.6 Ų | 52.6 | 22% | 0.217 | 27% | 0.273 | C | S | . | . | trans | -74 | 95.6 | -174.2 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | K644 I645 R646 | S642-K644 PolarHBondContact O-N 3.24Å; S642-I645 PolarHBondContact O-N 2.74Å; S642-I645 VanDerWaalsContact O-N 3.08Å; S642-R646 PolarHBondContact O-N 2.93Å | ||
| 643 | T | 72.2 | Confident | 78 | Confident | 86 Ų | 86 | 47.7 Ų | 47.7 | 53% | 0.528 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -3.3 | 171.5 | 55.9 | 0 | 0 | 0 | 0 | 114.5 | I641 I708 | I641-T643 PolarHBondContact O-N 3Å; T643-I708 HydrophobicContact CG2-CD1 4.11Å |
| 644 | K | 68.9 | Low | 77.9 | Confident | 166 Ų | 166 | 42.3 Ų | 42.3 | 72% | 0.722 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -52.4 | 168.1 | -63.2 | -179 | -179.9 | 178.7 | 0 | 110.7 | S642 | S642-K644 PolarHBondContact O-N 3.24Š|
| 645 | I | 65.2 | Low | 77.7 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -24.7 | -170.8 | -51.9 | 166.6 | 0 | 0 | 0 | 111.8 | S642 L747 N748 | S642-I645 PolarHBondContact O-N 2.74Å; S642-I645 VanDerWaalsContact O-N 3.08Å; I645-L747 HydrophobicContact CG2-CD1 3.83Å; I645-N748 WeakPolarHBondContact O-CB 3.48Å; I645-N748 PolarHBondContact O-N 3.37Å |
| 646 | R | 71.1 | Confident | 77.3 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 5% | 0.045 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.2 | -179.4 | -81.5 | 179.3 | 152.6 | 105.5 | -0.7 | 113 | G639 S642 H648 S745 G746 L747 E765 | G639-R646 PolarHBondContact O-NH1 3.37Å; S642-R646 PolarHBondContact O-N 2.93Å; R646-H648 PolarHBondContact O-CD2 2.81Å; R646-S745 WeakPolarHBondContact CD-OG 3.43Å; R646-G746 CarbonylContact C-O 3.54Å; R646-G746 VanDerWaalsContact CA-O 3.28Å; R646-G746 WeakPolarHBondContact CA-O 3.2Å; R646-L747 HydrophobicContact CG-CD1 4.29Å; R646-E765 PolarHBondContact NH1-O 3.16Å |
| 647 | H | 78.2 | Confident | 76.9 | Confident | 115 Ų | 115 | 39.5 Ų | 39.5 | 53% | 0.532 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 108.6 | 168.1 | -171.7 | -96.7 | 0 | 0 | 0 | 109.1 | E649 S745 G746 | H647-E649 IonicContact CE1-OE2 2.71Å; H647-E649 IonicContact ND1-OE2 3.66Å; H647-S745 WeakPolarHBondContact O-CA 3.23Å; H647-G746 PolarHBondContact N-O 2.97Å; H647-G746 PolarHBondContact O-N 3.27Å |
| 648 | H | 83.2 | Confident | 76.7 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 8% | 0.083 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.5 | 176.8 | -66.4 | -88.6 | 0 | 0 | 0 | 109.7 | L640 R646 I708 Y743 S745 | L640-H648 PolarHBondContact O-CE1 2.97Å; R646-H648 PolarHBondContact O-CD2 2.81Å; H648-I708 HydrophobicContact CB-CD1 3.68Å; H648-I708 WeakPolarHBondContact ND1-CD1 3.34Å; H648-Y743 HydrophobicContact CB-CE2 4.27Å; H648-Y743 AromaticContact ND1-CZ 3.85Å; H648-Y743 PolarHBondContact ND1-OH 2.88Å; H648-S745 PolarHBondContact CE1-OG 2.99Å; H648-S745 PolarHBondContact ND1-OG 2.75Å |
| 649 | E | 85.4 | Confident | 76.5 | Confident | 73 Ų | 73 | 38.6 Ų | 38.6 | 34% | 0.341 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.6 | -171.7 | -169.5 | -175.8 | 155 | 0 | 0 | 110 | H647 Y743 K744 | H647-E649 IonicContact CE1-OE2 2.71Å; H647-E649 IonicContact ND1-OE2 3.66Å; E649-Y743 WeakPolarHBondContact O-CA 3.28Å; E649-Y743 WeakPolarHBondContact O-CD2 3.38Å; E649-K744 HydrophobicContact CB-CG 4.1Å; E649-K744 PolarHBondContact N-O 2.85Å; E649-K744 PolarHBondContact O-N 3.21Å; E649-K744 WeakPolarHBondContact OE2-CE 3.4Å; E649-K744 IonicContact OE2-NZ 2.96Å |
| 650 | V | 87.3 | Confident | 76.4 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.6 | 164.8 | 164.9 | 0 | 0 | 0 | 0 | 107.1 | P652 I705 F721 I741 S742 Y743 | V650-P652 WeakPolarHBondContact O-CD 3.49Å; V650-I705 HydrophobicContact CB-CD1 3.88Å; V650-I705 HydrophobicContact CG2-CD1 3.47Å; V650-I705 VanDerWaalsContact CG2-CD1 3.47Å; V650-F721 HydrophobicContact CG1-CD2 4.1Å; V650-F721 HydrophobicContact CG1-CE1 4.44Å; V650-F721 HydrophobicContact CG1-CE2 3.73Å; V650-F721 HydrophobicContact CG1-CZ 3.92Å; V650-F721 HydrophobicContact CG2-CD1 4.11Å; V650-F721 HydrophobicContact CG2-CE1 4.03Å; V650-F721 HydrophobicContact CG2-CG 4.46Å; V650-F721 HydrophobicContact CG2-CZ 4.32Å; V650-I741 HydrophobicContact CG1-CG2 3.86Å; V650-S742 CarbonylContact C-O 3.59Å; V650-S742 VanDerWaalsContact CA-O 3.31Å; V650-S742 WeakPolarHBondContact CA-O 3.15Å; V650-Y743 HydrophobicContact CG2-CD2 3.9Å |
| 651 | N | 87 | Confident | 75.6 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 112.4 | 167.7 | -172.7 | -22 | 0 | 0 | 0 | 107.4 | D653 V654 N657 S742 | N651-D653 VanDerWaalsContact C-N 3.29Å; N651-D653 PolarHBondContact O-N 3.47Å; N651-D653 PolarHBondContact OD1-N 2.95Å; N651-V654 HydrophobicContact CB-CG2 3.96Å; N651-V654 PolarHBondContact OD1-N 3.08Å; N651-N657 PolarHBondContact OD1-ND2 3.42Å; N651-S742 WeakPolarHBondContact CB-OG 3.06Å; N651-S742 PolarHBondContact N-O 3.45Å; N651-S742 PolarHBondContact O-N 2.96Å |
| 652 | P | 85 | Confident | 74.6 | Confident | 18 Ų | 18 | 47.7 Ų | 47.7 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -71.8 | -24.1 | -170.8 | 30.8 | -37.3 | 0 | 0 | 0 | 112.8 | V650 F698 L723 L739 | V650-P652 WeakPolarHBondContact O-CD 3.49Å; P652-F698 HydrophobicContact CB-CB 4.32Å; P652-F698 WeakPolarHBondContact CG-O 3.47Å; P652-L723 HydrophobicContact CB-CD1 4.18Å; P652-L723 HydrophobicContact CB-CD2 3.58Å; P652-L739 VanDerWaalsContact O-CD1 3.26Å; P652-L739 WeakPolarHBondContact O-CD1 3.44Å |
| 653 | D | 84.8 | Confident | 73.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -158 | 85.4 | 179.4 | -168.2 | -5.7 | 0 | 0 | 0 | 109.8 | N651 L655 W656 N657 R697 L739 K740 | N651-D653 VanDerWaalsContact C-N 3.29Å; N651-D653 PolarHBondContact O-N 3.47Å; N651-D653 PolarHBondContact OD1-N 2.95Å; D653-L655 VanDerWaalsContact C-N 3.3Å; D653-L655 PolarHBondContact O-N 2.98Å; D653-W656 HydrophobicContact CB-CB 4Å; D653-W656 VanDerWaalsContact CG-CB 3.43Å; D653-W656 PolarHBondContact O-N 3.32Å; D653-W656 PolarHBondContact OD1-N 3.19Å; D653-W656 VanDerWaalsContact OD2-CB 3.31Å; D653-W656 WeakPolarHBondContact OD2-CB 3.17Å; D653-N657 PolarHBondContact O-N 3.44Å; D653-R697 IonicContact OD1-NH2 3.01Å; D653-R697 PolarHBondContact OD1-NH2 2.82Å; D653-R697 VanDerWaalsContact OD1-NH2 3.15Å; D653-R697 IonicContact OD2-CZ 3.6Å; D653-R697 IonicContact OD2-NE 2.58Å; D653-R697 PolarHBondContact OD2-NE 2.81Å; D653-R697 IonicContact OD2-NH2 2.6Å; D653-R697 PolarHBondContact OD2-NH2 2.76Å; D653-L739 HydrophobicContact CB-CD1 3.96Å; D653-K740 CarbonylContact C-O 3.58Å; D653-K740 WeakPolarHBondContact CA-O 3.46Å | ||
| 654 | V | 82.6 | Confident | 72.5 | Confident | 15 Ų | 15 | 50 Ų | 50 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.4 | -47.4 | -175.5 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | N651 W656 N657 D658 K740 S742 | N651-V654 HydrophobicContact CB-CG2 3.96Å; N651-V654 PolarHBondContact OD1-N 3.08Å; V654-W656 VanDerWaalsContact C-N 3.3Å; V654-W656 PolarHBondContact O-N 3.42Å; V654-N657 PolarHBondContact O-N 3.36Å; V654-D658 PolarHBondContact O-N 2.89Å; V654-K740 HydrophobicContact CB-CB 4.32Å; V654-K740 HydrophobicContact CB-CD 4.23Å; V654-K740 HydrophobicContact CB-CG 4.2Å; V654-K740 HydrophobicContact CG1-CD 4.43Å; V654-K740 HydrophobicContact CG2-CG 4.36Å; V654-K740 WeakPolarHBondContact CG2-O 3.44Å; V654-K740 PolarHBondContact N-O 3.08Å; V654-S742 WeakPolarHBondContact CG2-OG 3.36Å |
| 655 | L | 79 | Confident | 71.3 | Confident | 44 Ų | 44 | 45.2 Ų | 45.2 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -30.8 | -176.1 | -65.3 | 173.6 | 0 | 0 | 0 | 112.7 | D653 V737 P738 K740 L777 | D653-L655 VanDerWaalsContact C-N 3.3Å; D653-L655 PolarHBondContact O-N 2.98Å; L655-V737 HydrophobicContact CB-CG1 4.23Å; L655-P738 HydrophobicContact CD1-CG 4.18Å; L655-K740 HydrophobicContact CD1-CB 3.9Å; L655-K740 HydrophobicContact CD2-CD 4.33Å; L655-K740 HydrophobicContact CG-CB 3.87Å; L655-K740 HydrophobicContact CG-CD 4.15Å; L655-L777 HydrophobicContact CD1-CD2 4.49Å |
| 656 | W | 75.1 | Confident | 69.9 | Low | 5 Ų | 5 | 50.7 Ų | 50.7 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -78.4 | -38.3 | 174.7 | -170.2 | -92.2 | 0 | 0 | 0 | 112.3 | D653 V654 Y659 L660 F684 T688 L691 T695 R697 | D653-W656 HydrophobicContact CB-CB 4Å; D653-W656 VanDerWaalsContact CG-CB 3.43Å; D653-W656 PolarHBondContact O-N 3.32Å; D653-W656 PolarHBondContact OD1-N 3.19Å; D653-W656 VanDerWaalsContact OD2-CB 3.31Å; D653-W656 WeakPolarHBondContact OD2-CB 3.17Å; V654-W656 VanDerWaalsContact C-N 3.3Å; V654-W656 PolarHBondContact O-N 3.42Å; W656-Y659 WeakPolarHBondContact O-CB 3.33Å; W656-Y659 PolarHBondContact O-N 3.01Å; W656-L660 WeakPolarHBondContact O-CG 3.42Å; W656-L660 PolarHBondContact O-N 3.47Å; W656-F684 AromaticContact CE3-CE1 3.63Å; W656-F684 HydrophobicContact CE3-CE1 3.63Å; W656-F684 HydrophobicContact CE3-CZ 4.45Å; W656-F684 HydrophobicContact CZ3-CD1 4.22Å; W656-F684 AromaticContact CZ3-CE1 3.72Å; W656-F684 HydrophobicContact CZ3-CE1 3.72Å; W656-T688 HydrophobicContact CH2-CG2 3.82Å; W656-T688 HydrophobicContact CZ3-CG2 3.88Å; W656-L691 HydrophobicContact CH2-CB 4.19Å; W656-L691 HydrophobicContact CH2-CD1 3.68Å; W656-L691 HydrophobicContact CZ3-CD1 4.01Å; W656-T695 PolarHBondContact NE1-O 3.14Å; W656-R697 HydrophobicContact CD2-CG 3.71Å; W656-R697 HydrophobicContact CE3-CG 3.72Å; W656-R697 HydrophobicContact CG-CG 4.2Å; W656-R697 HydrophobicContact CH2-CG 4.43Å; W656-R697 HydrophobicContact CZ2-CG 4.41Å; W656-R697 HydrophobicContact CZ3-CG 4.09Å |
| 657 | N | 73.8 | Confident | 68.2 | Low | 36 Ų | 36 | 57.6 Ų | 57.6 | 19% | 0.193 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69 | -38.1 | 178.4 | -76.2 | -25.1 | 0 | 0 | 0 | 112.2 | N651 D653 V654 Y659 L660 Y661 | N651-N657 PolarHBondContact OD1-ND2 3.42Å; D653-N657 PolarHBondContact O-N 3.44Å; V654-N657 PolarHBondContact O-N 3.36Å; N657-Y659 VanDerWaalsContact C-N 3.26Å; N657-Y659 PolarHBondContact O-N 3.4Å; N657-L660 PolarHBondContact O-N 3.42Å; N657-Y661 WeakPolarHBondContact O-CD2 2.97Å; N657-Y661 PolarHBondContact O-N 2.83Å |
| 658 | D | 68.2 | Low | 66 | Low | 83 Ų | 83 | 58.8 Ų | 58.8 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.2 | -37 | 172.3 | -67.2 | -20.3 | 0 | 0 | 0 | 111.8 | V654 S662 | V654-D658 PolarHBondContact O-N 2.89Å; D658-S662 PolarHBondContact O-N 3.11Å; D658-S662 PolarHBondContact O-OG 2.98Å |
| 659 | Y | 65.2 | Low | 63.5 | Low | 7 Ų | 7 | 63.5 Ų | 63.5 | 3% | 0.027 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 173.7 | 171.2 | -104.1 | 0 | 0 | 0 | 112.9 | W656 N657 S662 L681 F684 D685 | W656-Y659 WeakPolarHBondContact O-CB 3.33Å; W656-Y659 PolarHBondContact O-N 3.01Å; N657-Y659 VanDerWaalsContact C-N 3.26Å; N657-Y659 PolarHBondContact O-N 3.4Å; Y659-S662 PolarHBondContact O-OG 3.22Å; Y659-S662 VanDerWaalsContact O-OG 3.09Å; Y659-L681 HydrophobicContact CD2-CD1 3.79Å; Y659-L681 HydrophobicContact CD2-CG 3.66Å; Y659-L681 HydrophobicContact CE2-CB 4.46Å; Y659-L681 HydrophobicContact CE2-CD1 4.43Å; Y659-L681 HydrophobicContact CE2-CG 3.79Å; Y659-F684 AromaticContact CD1-CD1 3.55Å; Y659-F684 HydrophobicContact CD1-CD1 3.55Å; Y659-F684 AromaticContact CD1-CE1 3.75Å; Y659-F684 HydrophobicContact CD1-CE1 3.75Å; Y659-F684 HydrophobicContact CD1-CG 4.5Å; Y659-F684 HydrophobicContact CD2-CB 3.6Å; Y659-F684 AromaticContact CD2-CD1 3.4Å; Y659-F684 HydrophobicContact CD2-CD1 3.4Å; Y659-F684 VanDerWaalsContact CD2-CD1 3.4Å; Y659-F684 HydrophobicContact CD2-CD2 4.28Å; Y659-F684 HydrophobicContact CD2-CE1 4.01Å; Y659-F684 AromaticContact CD2-CG 3.54Å; Y659-F684 HydrophobicContact CD2-CG 3.54Å; Y659-F684 AromaticContact CE1-CD1 3.75Å; Y659-F684 HydrophobicContact CE1-CD1 3.75Å; Y659-F684 HydrophobicContact CE1-CE1 4.35Å; Y659-F684 HydrophobicContact CE2-CB 3.27Å; Y659-F684 AromaticContact CE2-CD1 3.65Å; Y659-F684 HydrophobicContact CE2-CD1 3.65Å; Y659-F684 AromaticContact CE2-CG 3.71Å; Y659-F684 HydrophobicContact CE2-CG 3.71Å; Y659-F684 HydrophobicContact CG-CB 4.45Å; Y659-F684 AromaticContact CG-CD1 3.37Å; Y659-F684 HydrophobicContact CG-CD1 3.37Å; Y659-F684 AromaticContact CG-CE1 3.54Å; Y659-F684 HydrophobicContact CG-CE1 3.54Å; Y659-F684 AromaticContact CG-CG 3.98Å; Y659-F684 HydrophobicContact CG-CG 3.98Å; Y659-F684 HydrophobicContact CG-CZ 4.29Å; Y659-F684 AromaticContact CZ-CD1 3.79Å; Y659-D685 PolarHBondContact OH-OD1 3.06Å; Y659-D685 VanDerWaalsContact OH-OD1 3.1Å |
| 660 | L | 64.7 | Low | 61.4 | Low | 42 Ų | 42 | 63.9 Ų | 63.9 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.1 | -47.2 | 177.5 | -70.9 | 176.5 | 0 | 0 | 0 | 112.2 | W656 N657 S662 N663 K693 | W656-L660 WeakPolarHBondContact O-CG 3.42Å; W656-L660 PolarHBondContact O-N 3.47Å; N657-L660 PolarHBondContact O-N 3.42Å; L660-S662 PolarHBondContact O-N 2.03Å; L660-N663 PolarHBondContact O-N 2.88Å; L660-K693 WeakPolarHBondContact CD2-O 3.46Å |
| 661 | Y | 61.1 | Low | 59.3 | Low | 166 Ų | 166 | 67.9 Ų | 67.9 | 65% | 0.651 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.1 | -42.5 | -176.2 | -94.8 | -77 | 0 | 0 | 0 | 112.9 | N657 N663 S664 T665 | N657-Y661 WeakPolarHBondContact O-CD2 2.97Å; N657-Y661 PolarHBondContact O-N 2.83Å; Y661-N663 PolarHBondContact O-N 3.18Å; Y661-S664 PolarHBondContact O-N 3.35Å; Y661-S664 PolarHBondContact O-OG 2.95Å; Y661-T665 PolarHBondContact O-OG1 2.9Å |
| 662 | S | 55.1 | Low | 57.1 | Low | 27 Ų | 27 | 71.3 Ų | 71.3 | 19% | 0.189 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67 | -17.1 | -176.6 | 48 | 0 | 0 | 0 | 0 | 114.8 | D658 Y659 L660 L681 | D658-S662 PolarHBondContact O-N 3.11Å; D658-S662 PolarHBondContact O-OG 2.98Å; Y659-S662 PolarHBondContact O-OG 3.22Å; Y659-S662 VanDerWaalsContact O-OG 3.09Å; L660-S662 PolarHBondContact O-N 2.03Å; S662-L681 WeakPolarHBondContact OG-CD1 3.43Å; S662-L681 WeakPolarHBondContact OG-CD2 3.32Å |
| 663 | N | 51.7 | Low | 54.9 | Low | 86 Ų | 86 | 74.2 Ų | 74.2 | 46% | 0.46 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -12.7 | 169.9 | -88 | -39.8 | 0 | 0 | 0 | 113.8 | L660 Y661 | L660-N663 PolarHBondContact O-N 2.88Å; Y661-N663 PolarHBondContact O-N 3.18Å |
| 664 | S | 50.2 | Low | 52.7 | Low | 79 Ų | 79 | 77.3 Ų | 77.3 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -23.6 | -172.3 | 73.6 | 0 | 0 | 0 | 0 | 114.9 | Y661 | Y661-S664 PolarHBondContact O-N 3.35Å; Y661-S664 PolarHBondContact O-OG 2.95Å |
| 665 | T | 43.7 | Very low | 50.6 | Low | 67 Ų | 67 | 81.8 Ų | 81.8 | 41% | 0.411 | 45% | 0.445 | S | S | . | . | trans | -118.3 | 75.6 | -170.1 | 44.2 | 0 | 0 | 0 | 0 | 112.5 | Y661 Q667 | Y661-T665 PolarHBondContact O-OG1 2.9Å; T665-Q667 PolarHBondContact O-N 3.19Å; T665-Q667 VanDerWaalsContact O-N 3.07Å | ||
| 666 | T | 35.8 | Very low | 49 | Very low | 134 Ų | 134 | 85.1 Ų | 85.1 | 82% | 0.822 | 46% | 0.458 | S | S | * | . | trans | -75.9 | 16.7 | 177.2 | 48.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 667 | Q | 34.6 | Very low | 47.4 | Very low | 158 Ų | 158 | 87.8 Ų | 87.8 | 74% | 0.738 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -134.7 | 135.7 | 179.8 | -64.7 | -176 | -9.5 | 0 | 0 | 111.1 | T665 | T665-Q667 PolarHBondContact O-N 3.19Å; T665-Q667 VanDerWaalsContact O-N 3.07Å |
| 668 | T | 32 | Very low | 45.7 | Very low | 140 Ų | 140 | 94.2 Ų | 94.2 | 86% | 0.859 | 49% | 0.492 | S | S | * | . | trans | 58 | 69 | 172.8 | 66.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 669 | F | 32.4 | Very low | 44.4 | Very low | 116 Ų | 116 | 92.1 Ų | 92.1 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | trans | -129 | 153.3 | 153.1 | -90.5 | -84.2 | 0 | 0 | 0 | 110.9 | M673 L674 | F669-M673 HydrophobicContact CD1-SD 3.72Å; F669-M673 HydrophobicContact CE1-SD 4Å; F669-L674 HydrophobicContact CB-CD1 4.25Å; F669-L674 HydrophobicContact CB-CG 4.2Å | ||
| 670 | S | 40 | Very low | 43.2 | Very low | 81 Ų | 81 | 96 Ų | 96 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | trans | -65.7 | 148.3 | -177.3 | 61 | 0 | 0 | 0 | 0 | 112.1 | D672 M673 L674 | S670-D672 PolarHBondContact O-N 2.74Å; S670-D672 VanDerWaalsContact O-N 3.12Å; S670-M673 PolarHBondContact O-N 3.26Å; S670-L674 PolarHBondContact O-N 3.25Å | ||
| 671 | S | 42.5 | Very low | 42.2 | Very low | 93 Ų | 93 | 95.1 Ų | 95.1 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.7 | -26.1 | -168.6 | 50.6 | 0 | 0 | 0 | 0 | 115.1 | M675 | S671-M675 WeakPolarHBondContact O-CG 3.22Å |
| 672 | D | 42.7 | Very low | 41.4 | Very low | 101 Ų | 101 | 90.4 Ų | 90.4 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -84 | -23.9 | 178.3 | -73.1 | -24.9 | 0 | 0 | 0 | 113 | S670 | S670-D672 PolarHBondContact O-N 2.74Å; S670-D672 VanDerWaalsContact O-N 3.12Å |
| 673 | M | 38 | Very low | 40.8 | Very low | 79 Ų | 79 | 92.2 Ų | 92.2 | 39% | 0.389 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -78.8 | -41.6 | 179.4 | -162.4 | 171.3 | -175.2 | 0 | 0 | 111.6 | F669 S670 M675 K676 Q677 | F669-M673 HydrophobicContact CD1-SD 3.72Å; F669-M673 HydrophobicContact CE1-SD 4Å; S670-M673 PolarHBondContact O-N 3.26Å; M673-M675 VanDerWaalsContact C-N 3.25Å; M673-M675 PolarHBondContact O-N 3.13Å; M673-K676 PolarHBondContact O-N 2.93Å; M673-Q677 PolarHBondContact O-N 3.04Å |
| 674 | L | 38 | Very low | 40.6 | Very low | 65 Ų | 65 | 89 Ų | 89 | 34% | 0.34 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -29.1 | 176.8 | -89.9 | 162.6 | 0 | 0 | 0 | 113.8 | F669 S670 R678 | F669-L674 HydrophobicContact CB-CD1 4.25Å; F669-L674 HydrophobicContact CB-CG 4.2Å; S670-L674 PolarHBondContact O-N 3.25Å; L674-R678 WeakPolarHBondContact O-CB 3.47Å; L674-R678 VanDerWaalsContact O-CG 3.31Å; L674-R678 WeakPolarHBondContact O-CG 3.47Å; L674-R678 PolarHBondContact O-N 3.24Å |
| 675 | M | 39 | Very low | 40.7 | Very low | 108 Ų | 108 | 88.6 Ų | 88.6 | 53% | 0.532 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -76.5 | -35.2 | -179.5 | -69.6 | -68.4 | -95.9 | 0 | 0 | 112.7 | S671 M673 I902 | S671-M675 WeakPolarHBondContact O-CG 3.22Å; M673-M675 VanDerWaalsContact C-N 3.25Å; M673-M675 PolarHBondContact O-N 3.13Å; M675-I902 HydrophobicContact CE-CG2 4.15Å |
| 676 | K | 45.1 | Very low | 40.8 | Very low | 114 Ų | 114 | 92 Ų | 92 | 50% | 0.496 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.2 | -44.1 | 174.8 | -83.9 | -171.6 | 172.4 | -173.6 | 0 | 112.4 | M673 R678 V679 | M673-K676 PolarHBondContact O-N 2.93Å; K676-R678 PolarHBondContact O-N 3.16Å; K676-V679 PolarHBondContact O-N 3.41Å |
| 677 | Q | 41.3 | Very low | 41.4 | Very low | 62 Ų | 62 | 92.4 Ų | 92.4 | 29% | 0.29 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 178.5 | -87.6 | 176 | -37.1 | 0 | 0 | 112.8 | M673 V679 E680 L681 | M673-Q677 PolarHBondContact O-N 3.04Å; Q677-V679 VanDerWaalsContact C-N 3.33Å; Q677-V679 PolarHBondContact O-N 2.85Å; Q677-E680 PolarHBondContact O-N 3.25Å; Q677-L681 WeakPolarHBondContact O-CB 3Å; Q677-L681 VanDerWaalsContact O-CD1 3.32Å; Q677-L681 WeakPolarHBondContact O-CD1 3.41Å; Q677-L681 PolarHBondContact O-N 3.01Å |
| 678 | R | 37.8 | Very low | 42.3 | Very low | 170 Ų | 170 | 85.6 Ų | 85.6 | 64% | 0.642 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61 | -35.6 | 178.9 | -82.8 | -177.9 | -177.5 | -170.7 | 2.3 | 114.5 | L674 K676 L681 S682 | L674-R678 WeakPolarHBondContact O-CB 3.47Å; L674-R678 VanDerWaalsContact O-CG 3.31Å; L674-R678 WeakPolarHBondContact O-CG 3.47Å; L674-R678 PolarHBondContact O-N 3.24Å; K676-R678 PolarHBondContact O-N 3.16Å; R678-L681 PolarHBondContact O-N 2.81Å; R678-S682 PolarHBondContact O-N 3.31Å; R678-S682 PolarHBondContact O-OG 3.32Å |
| 679 | V | 40.6 | Very low | 43.1 | Very low | 39 Ų | 39 | 86.9 Ų | 86.9 | 24% | 0.236 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -72.3 | -36.6 | 179.9 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | K676 Q677 L681 S682 T683 S904 | K676-V679 PolarHBondContact O-N 3.41Å; Q677-V679 VanDerWaalsContact C-N 3.33Å; Q677-V679 PolarHBondContact O-N 2.85Å; V679-L681 VanDerWaalsContact C-N 3.35Å; V679-S682 PolarHBondContact O-OG 2.67Å; V679-S682 VanDerWaalsContact O-OG 3.09Å; V679-T683 PolarHBondContact O-OG1 2.8Å; V679-S904 WeakPolarHBondContact CG1-OG 3.3Å |
| 680 | E | 40 | Very low | 44.2 | Very low | 88 Ų | 88 | 89.5 Ų | 89.5 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.7 | -30.4 | 173.1 | -60 | -164.1 | 172.1 | 0 | 0 | 112.3 | Q677 T683 F684 K908 | Q677-E680 PolarHBondContact O-N 3.25Å; E680-T683 PolarHBondContact O-OG1 2.06Å; E680-F684 PolarHBondContact O-N 3.07Å; E680-K908 HydrophobicContact CG-CD 4.5Å; E680-K908 WeakPolarHBondContact OE1-CE 3.22Å; E680-K908 IonicContact OE1-NZ 3.14Å; E680-K908 VanDerWaalsContact OE2-CE 3.25Å; E680-K908 WeakPolarHBondContact OE2-CE 3.44Å; E680-K908 IonicContact OE2-NZ 3Å; E680-K908 PolarHBondContact OE2-NZ 3.14Å |
| 681 | L | 44.2 | Very low | 45.1 | Very low | 24 Ų | 24 | 86.5 Ų | 86.5 | 13% | 0.126 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -73.2 | -41.2 | 175.5 | -100.2 | 64.9 | 0 | 0 | 0 | 113.1 | Y659 S662 Q677 R678 V679 T683 F684 D685 | Y659-L681 HydrophobicContact CD2-CD1 3.79Å; Y659-L681 HydrophobicContact CD2-CG 3.66Å; Y659-L681 HydrophobicContact CE2-CB 4.46Å; Y659-L681 HydrophobicContact CE2-CD1 4.43Å; Y659-L681 HydrophobicContact CE2-CG 3.79Å; S662-L681 WeakPolarHBondContact OG-CD1 3.43Å; S662-L681 WeakPolarHBondContact OG-CD2 3.32Å; Q677-L681 WeakPolarHBondContact O-CB 3Å; Q677-L681 VanDerWaalsContact O-CD1 3.32Å; Q677-L681 WeakPolarHBondContact O-CD1 3.41Å; Q677-L681 PolarHBondContact O-N 3.01Å; R678-L681 PolarHBondContact O-N 2.81Å; V679-L681 VanDerWaalsContact C-N 3.35Å; L681-T683 VanDerWaalsContact C-N 3.26Å; L681-T683 PolarHBondContact O-N 3.29Å; L681-F684 WeakPolarHBondContact O-CB 2.9Å; L681-F684 PolarHBondContact O-N 2.98Å; L681-F684 VanDerWaalsContact O-N 3.14Å; L681-D685 PolarHBondContact O-N 3.02Å |
| 682 | S | 44.4 | Very low | 46 | Very low | 68 Ų | 68 | 87.9 Ų | 87.9 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.3 | -29.9 | -179.2 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | R678 V679 | R678-S682 PolarHBondContact O-N 3.31Å; R678-S682 PolarHBondContact O-OG 3.32Å; V679-S682 PolarHBondContact O-OG 2.67Å; V679-S682 VanDerWaalsContact O-OG 3.09Å |
| 683 | T | 43.7 | Very low | 46.9 | Very low | 64 Ų | 64 | 88.1 Ų | 88.1 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.3 | -36.5 | 173.1 | 49.9 | 0 | 0 | 0 | 0 | 112 | V679 E680 L681 F687 | V679-T683 PolarHBondContact O-OG1 2.8Å; E680-T683 PolarHBondContact O-OG1 2.06Å; L681-T683 VanDerWaalsContact C-N 3.26Å; L681-T683 PolarHBondContact O-N 3.29Å; T683-F687 WeakPolarHBondContact O-CD2 3.48Å |
| 684 | F | 47.6 | Very low | 48.3 | Very low | 18 Ų | 18 | 91.2 Ų | 91.2 | 8% | 0.079 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 171.5 | -105.6 | -111 | 0 | 0 | 0 | 112.9 | W656 Y659 E680 L681 M686 F687 T688 V737 | W656-F684 AromaticContact CE3-CE1 3.63Å; W656-F684 HydrophobicContact CE3-CE1 3.63Å; W656-F684 HydrophobicContact CE3-CZ 4.45Å; W656-F684 HydrophobicContact CZ3-CD1 4.22Å; W656-F684 AromaticContact CZ3-CE1 3.72Å; W656-F684 HydrophobicContact CZ3-CE1 3.72Å; Y659-F684 AromaticContact CD1-CD1 3.55Å; Y659-F684 HydrophobicContact CD1-CD1 3.55Å; Y659-F684 AromaticContact CD1-CE1 3.75Å; Y659-F684 HydrophobicContact CD1-CE1 3.75Å; Y659-F684 HydrophobicContact CD1-CG 4.5Å; Y659-F684 HydrophobicContact CD2-CB 3.6Å; Y659-F684 AromaticContact CD2-CD1 3.4Å; Y659-F684 HydrophobicContact CD2-CD1 3.4Å; Y659-F684 VanDerWaalsContact CD2-CD1 3.4Å; Y659-F684 HydrophobicContact CD2-CD2 4.28Å; Y659-F684 HydrophobicContact CD2-CE1 4.01Å; Y659-F684 AromaticContact CD2-CG 3.54Å; Y659-F684 HydrophobicContact CD2-CG 3.54Å; Y659-F684 AromaticContact CE1-CD1 3.75Å; Y659-F684 HydrophobicContact CE1-CD1 3.75Å; Y659-F684 HydrophobicContact CE1-CE1 4.35Å; Y659-F684 HydrophobicContact CE2-CB 3.27Å; Y659-F684 AromaticContact CE2-CD1 3.65Å; Y659-F684 HydrophobicContact CE2-CD1 3.65Å; Y659-F684 AromaticContact CE2-CG 3.71Å; Y659-F684 HydrophobicContact CE2-CG 3.71Å; Y659-F684 HydrophobicContact CG-CB 4.45Å; Y659-F684 AromaticContact CG-CD1 3.37Å; Y659-F684 HydrophobicContact CG-CD1 3.37Å; Y659-F684 AromaticContact CG-CE1 3.54Å; Y659-F684 HydrophobicContact CG-CE1 3.54Å; Y659-F684 AromaticContact CG-CG 3.98Å; Y659-F684 HydrophobicContact CG-CG 3.98Å; Y659-F684 HydrophobicContact CG-CZ 4.29Å; Y659-F684 AromaticContact CZ-CD1 3.79Å; E680-F684 PolarHBondContact O-N 3.07Å; L681-F684 WeakPolarHBondContact O-CB 2.9Å; L681-F684 PolarHBondContact O-N 2.98Å; L681-F684 VanDerWaalsContact O-N 3.14Å; F684-M686 PolarHBondContact O-N 2.91Å; F684-F687 PolarHBondContact O-N 2.8Å; F684-T688 HydrophobicContact CD1-CG2 3.91Å; F684-T688 WeakPolarHBondContact O-CB 3.32Å; F684-T688 WeakPolarHBondContact O-CG2 3.39Å; F684-T688 PolarHBondContact O-N 2.85Å; F684-T688 PolarHBondContact O-OG1 2.91Å; F684-V737 HydrophobicContact CD2-CG2 4.4Å; F684-V737 HydrophobicContact CE1-CG2 4.43Å; F684-V737 HydrophobicContact CE2-CG1 4.15Å; F684-V737 HydrophobicContact CE2-CG2 3.7Å; F684-V737 HydrophobicContact CZ-CB 4.33Å; F684-V737 HydrophobicContact CZ-CG1 3.64Å; F684-V737 HydrophobicContact CZ-CG2 3.74Å |
| 685 | D | 50.3 | Low | 49.9 | Very low | 71 Ų | 71 | 90.8 Ų | 90.8 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.9 | -27.3 | -174.9 | -112.5 | -2 | 0 | 0 | 0 | 113.2 | Y659 L681 K693 | Y659-D685 PolarHBondContact OH-OD1 3.06Å; Y659-D685 VanDerWaalsContact OH-OD1 3.1Å; L681-D685 PolarHBondContact O-N 3.02Å; D685-K693 VanDerWaalsContact OD1-CE 3.26Å; D685-K693 WeakPolarHBondContact OD1-CE 3.2Å; D685-K693 IonicContact OD1-NZ 3.88Å; D685-K693 PolarHBondContact OD1-NZ 2.9Å; D685-K693 IonicContact OD2-NZ 3.21Å |
| 686 | M | 45.9 | Very low | 51.8 | Low | 138 Ų | 138 | 87.4 Ų | 87.4 | 68% | 0.68 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -77 | -21.9 | 178.6 | -161.1 | 175.4 | 72.4 | 0 | 0 | 113.6 | F684 | F684-M686 PolarHBondContact O-N 2.91Å |
| 687 | F | 48.9 | Very low | 53.7 | Low | 144 Ų | 144 | 82 Ų | 82 | 63% | 0.632 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -113.8 | -18 | -175.8 | -68.3 | -70 | 0 | 0 | 0 | 114.5 | T683 F684 M689 | T683-F687 WeakPolarHBondContact O-CD2 3.48Å; F684-F687 PolarHBondContact O-N 2.8Å; F687-M689 VanDerWaalsContact C-N 3.26Å; F687-M689 PolarHBondContact O-N 3.28Å |
| 688 | T | 54 | Low | 55.9 | Low | 14 Ų | 14 | 79 Ų | 79 | 9% | 0.086 | 39% | 0.391 | C | S | . | . | trans | -83.1 | 10.5 | -179.1 | 51.7 | 0 | 0 | 0 | 0 | 114.8 | W656 F684 Q690 L691 | W656-T688 HydrophobicContact CH2-CG2 3.82Å; W656-T688 HydrophobicContact CZ3-CG2 3.88Å; F684-T688 HydrophobicContact CD1-CG2 3.91Å; F684-T688 WeakPolarHBondContact O-CB 3.32Å; F684-T688 WeakPolarHBondContact O-CG2 3.39Å; F684-T688 PolarHBondContact O-N 2.85Å; F684-T688 PolarHBondContact O-OG1 2.91Å; T688-Q690 PolarHBondContact O-N 3.03Å; T688-L691 PolarHBondContact O-N 3.32Å | ||
| 689 | M | 48.7 | Very low | 58.3 | Low | 168 Ų | 168 | 75.1 Ų | 75.1 | 83% | 0.828 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -14.4 | -175.8 | -105.6 | -139.4 | 71.1 | 0 | 0 | 116.2 | F687 | F687-M689 VanDerWaalsContact C-N 3.26Å; F687-M689 PolarHBondContact O-N 3.28Å |
| 690 | Q | 54.7 | Low | 60.4 | Low | 171 Ų | 171 | 74.7 Ų | 74.7 | 80% | 0.799 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -14.5 | 174.7 | -70.1 | 179.7 | -30.3 | 0 | 0 | 114.1 | T688 | T688-Q690 PolarHBondContact O-N 3.03Š|
| 691 | L | 59.5 | Low | 62.4 | Low | 17 Ų | 17 | 72.6 Ų | 72.6 | 9% | 0.089 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -96.7 | 133.1 | -178.8 | -63.9 | 176 | 0 | 0 | 0 | 110.2 | W656 T688 K693 Y727 E731 | W656-L691 HydrophobicContact CH2-CB 4.19Å; W656-L691 HydrophobicContact CH2-CD1 3.68Å; W656-L691 HydrophobicContact CZ3-CD1 4.01Å; T688-L691 PolarHBondContact O-N 3.32Å; L691-K693 PolarHBondContact O-N 3.31Å; L691-Y727 HydrophobicContact CD2-CD1 3.45Å; L691-Y727 VanDerWaalsContact CD2-CD1 3.45Å; L691-Y727 HydrophobicContact CD2-CD2 3.82Å; L691-Y727 HydrophobicContact CD2-CE1 3.5Å; L691-Y727 VanDerWaalsContact CD2-CE1 3.5Å; L691-Y727 HydrophobicContact CD2-CE2 3.85Å; L691-Y727 HydrophobicContact CD2-CG 3.59Å; L691-E731 HydrophobicContact CD2-CB 4.19Å |
| 692 | H | 62.4 | Low | 63.8 | Low | 122 Ų | 122 | 75.1 Ų | 75.1 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | trans | -71.5 | 116.5 | 179.2 | -170.4 | -93.9 | 0 | 0 | 0 | 109.6 | L694 T695 Y727 | H692-L694 PolarHBondContact O-N 3.43Å; H692-T695 PolarHBondContact O-N 2.67Å; H692-T695 VanDerWaalsContact O-N 3.1Å; H692-T695 PolarHBondContact O-OG1 3.5Å; H692-T695 VanDerWaalsContact O-OG1 3.08Å; H692-Y727 PolarHBondContact N-OH 2.81Å; H692-Y727 VanDerWaalsContact N-OH 3.07Å; H692-Y727 PolarHBondContact O-OH 2.84Å | ||
| 693 | K | 61.5 | Low | 64.9 | Low | 106 Ų | 106 | 78.9 Ų | 78.9 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -2.3 | -167.9 | -71.3 | -167.5 | 171.7 | -166.4 | 0 | 116.9 | L660 D685 L691 | L660-K693 WeakPolarHBondContact CD2-O 3.46Å; D685-K693 VanDerWaalsContact OD1-CE 3.26Å; D685-K693 WeakPolarHBondContact OD1-CE 3.2Å; D685-K693 IonicContact OD1-NZ 3.88Å; D685-K693 PolarHBondContact OD1-NZ 2.9Å; D685-K693 IonicContact OD2-NZ 3.21Å; L691-K693 PolarHBondContact O-N 3.31Å |
| 694 | L | 66 | Low | 66.1 | Low | 144 Ų | 144 | 84.1 Ų | 84.1 | 75% | 0.754 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -6.4 | -178.6 | -69 | 170.3 | 0 | 0 | 0 | 114 | H692 | H692-L694 PolarHBondContact O-N 3.43Š|
| 695 | T | 71.8 | Confident | 67.3 | Low | 57 Ų | 57 | 84 Ų | 84 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -109.4 | 127.4 | -176.4 | 28.1 | 0 | 0 | 0 | 0 | 111 | W656 H692 Y727 | W656-T695 PolarHBondContact NE1-O 3.14Å; H692-T695 PolarHBondContact O-N 2.67Å; H692-T695 VanDerWaalsContact O-N 3.1Å; H692-T695 PolarHBondContact O-OG1 3.5Å; H692-T695 VanDerWaalsContact O-OG1 3.08Å; T695-Y727 PolarHBondContact OG1-OH 3.36Å |
| 696 | P | 80.1 | Confident | 68 | Low | 36 Ų | 36 | 84.7 Ų | 84.7 | 23% | 0.234 | 43% | 0.43 | C | S | . | . | trans | -66.6 | 153.2 | -179.3 | 30.3 | -36.2 | 0 | 0 | 0 | 111 | M726 | P696-M726 WeakPolarHBondContact O-CB 3.5Å; P696-M726 WeakPolarHBondContact O-CG 3.12Å | ||
| 697 | R | 84.6 | Confident | 69.5 | Low | 1 Ų | 1 | 81.1 Ų | 81.1 | 0% | 0.004 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -66.6 | -41.4 | 175.5 | -63.1 | -172.2 | -59 | 173.7 | 2.4 | 111.9 | D653 W656 M726 M732 V737 P738 | D653-R697 IonicContact OD1-NH2 3.01Å; D653-R697 PolarHBondContact OD1-NH2 2.82Å; D653-R697 VanDerWaalsContact OD1-NH2 3.15Å; D653-R697 IonicContact OD2-CZ 3.6Å; D653-R697 IonicContact OD2-NE 2.58Å; D653-R697 PolarHBondContact OD2-NE 2.81Å; D653-R697 IonicContact OD2-NH2 2.6Å; D653-R697 PolarHBondContact OD2-NH2 2.76Å; W656-R697 HydrophobicContact CD2-CG 3.71Å; W656-R697 HydrophobicContact CE3-CG 3.72Å; W656-R697 HydrophobicContact CG-CG 4.2Å; W656-R697 HydrophobicContact CH2-CG 4.43Å; W656-R697 HydrophobicContact CZ2-CG 4.41Å; W656-R697 HydrophobicContact CZ3-CG 4.09Å; R697-M726 WeakPolarHBondContact O-CB 3.37Å; R697-M726 PolarHBondContact O-N 3.02Å; R697-M732 HydrophobicContact CB-CE 4.34Å; R697-M732 HydrophobicContact CB-SD 4.27Å; R697-M732 PolarHBondContact NH1-O 3.05Å; R697-M732 WeakPolarHBondContact O-CE 3.45Å; R697-V737 PolarHBondContact NH1-O 2.86Å; R697-V737 PolarHBondContact NH2-O 2.74Å; R697-P738 PolarHBondContact NH2-O 2.8Å |
| 698 | F | 87.5 | Confident | 71.1 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.7 | 176 | -64.7 | -86.3 | 0 | 0 | 0 | 110.2 | F611 I617 P652 L723 T724 A725 M732 L734 L739 | F611-F698 HydrophobicContact CE2-CZ 4.4Å; I617-F698 HydrophobicContact CD1-CE1 4.14Å; P652-F698 HydrophobicContact CB-CB 4.32Å; P652-F698 WeakPolarHBondContact CG-O 3.47Å; F698-L723 HydrophobicContact CB-CB 4.35Å; F698-L723 HydrophobicContact CB-CD1 4.28Å; F698-L723 HydrophobicContact CD1-CB 4.25Å; F698-T724 WeakPolarHBondContact CA-O 3.37Å; F698-A725 HydrophobicContact CD1-CB 4.45Å; F698-A725 HydrophobicContact CE1-CB 4.15Å; F698-M732 HydrophobicContact CE1-CE 4.29Å; F698-M732 HydrophobicContact CE1-SD 4.21Å; F698-M732 HydrophobicContact CE2-CE 4.41Å; F698-M732 HydrophobicContact CE2-SD 3.7Å; F698-M732 HydrophobicContact CZ-CE 4.15Å; F698-M732 HydrophobicContact CZ-SD 3.52Å; F698-M732 VanDerWaalsContact CZ-SD 3.52Å; F698-L734 HydrophobicContact CE2-CD2 4.02Å; F698-L734 HydrophobicContact CZ-CD1 4.24Å; F698-L734 HydrophobicContact CZ-CD2 4.48Å; F698-L739 HydrophobicContact CD2-CD1 3.47Å; F698-L739 VanDerWaalsContact CD2-CD1 3.47Å; F698-L739 HydrophobicContact CD2-CD2 4.19Å; F698-L739 HydrophobicContact CD2-CG 4.4Å; F698-L739 HydrophobicContact CE1-CD2 4.39Å; F698-L739 HydrophobicContact CE2-CB 4.47Å; F698-L739 HydrophobicContact CE2-CD1 3.69Å; F698-L739 HydrophobicContact CE2-CD2 3.88Å; F698-L739 HydrophobicContact CE2-CG 4.22Å; F698-L739 HydrophobicContact CG-CD1 4.23Å; F698-L739 HydrophobicContact CZ-CD2 3.99Å |
| 699 | Q | 86.9 | Confident | 72.6 | Confident | 88 Ų | 88 | 81.8 Ų | 81.8 | 41% | 0.411 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 144.4 | 173.1 | -174.8 | 174.5 | -10.7 | 0 | 0 | 109.7 | A701 L723 T724 M726 | Q699-A701 PolarHBondContact O-N 2.71Å; Q699-L723 CarbonylContact O-C 3.54Å; Q699-L723 WeakPolarHBondContact O-CA 3.39Å; Q699-T724 PolarHBondContact N-O 3.39Å; Q699-T724 PolarHBondContact O-N 3.01Å; Q699-T724 PolarHBondContact O-OG1 2.88Å; Q699-T724 VanDerWaalsContact O-OG1 3.05Å; Q699-M726 HydrophobicContact CB-CE 4.06Å; Q699-M726 HydrophobicContact CB-CG 4.34Å; Q699-M726 HydrophobicContact CB-SD 4.29Å |
| 700 | L | 86.5 | Confident | 74.2 | Confident | 29 Ų | 29 | 76.5 Ų | 76.5 | 15% | 0.152 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 120.7 | 170.5 | -164.7 | 69.8 | 0 | 0 | 0 | 108.4 | D702 I705 F721 L723 | L700-D702 VanDerWaalsContact C-N 3.29Å; L700-D702 WeakPolarHBondContact CD2-O 3.37Å; L700-D702 VanDerWaalsContact CG-O 3.29Å; L700-D702 WeakPolarHBondContact CG-O 3.23Å; L700-D702 PolarHBondContact O-N 3.27Å; L700-I705 HydrophobicContact CD2-CG1 4.12Å; L700-F721 HydrophobicContact CD1-CB 3.9Å; L700-F721 HydrophobicContact CD1-CD2 3.92Å; L700-F721 HydrophobicContact CD1-CG 4.25Å; L700-L723 HydrophobicContact CD1-CD2 3.89Å |
| 701 | A | 81.8 | Confident | 75.5 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -65.4 | -36.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q699 H722 T724 | Q699-A701 PolarHBondContact O-N 2.71Å; A701-H722 HydrophobicContact CB-CB 3.8Å; A701-H722 PolarHBondContact N-O 2.87Å; A701-T724 HydrophobicContact CB-CG2 3.9Å |
| 702 | D | 73 | Confident | 76.3 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 42% | 0.417 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -101 | 114.5 | 174.5 | -57.7 | -60.9 | 0 | 0 | 0 | 108.4 | L700 K704 H722 | L700-D702 VanDerWaalsContact C-N 3.29Å; L700-D702 WeakPolarHBondContact CD2-O 3.37Å; L700-D702 VanDerWaalsContact CG-O 3.29Å; L700-D702 WeakPolarHBondContact CG-O 3.23Å; L700-D702 PolarHBondContact O-N 3.27Å; D702-K704 PolarHBondContact O-N 3.45Å; D702-H722 IonicContact OD2-ND1 2.63Å; D702-H722 PolarHBondContact OD2-ND1 2.96Å |
| 703 | N | 68.4 | Low | 77 | Confident | 146 Ų | 146 | 72 Ų | 72 | 78% | 0.781 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -57.4 | -10.1 | -177.5 | -78.1 | -12.6 | 0 | 0 | 0 | 115 | ||
| 704 | K | 67.4 | Low | 77.8 | Confident | 174 Ų | 174 | 71.6 Ų | 71.6 | 76% | 0.757 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -140.1 | 140 | 169.8 | -72.8 | -170.3 | 175.1 | -173.6 | 0 | 110.5 | D702 S706 | D702-K704 PolarHBondContact O-N 3.45Å; K704-S706 PolarHBondContact O-N 3.21Å; K704-S706 VanDerWaalsContact O-N 3.17Å |
| 705 | I | 74 | Confident | 78.6 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 8% | 0.077 | 36% | 0.364 | C | S | . | . | trans | -73.6 | 105.5 | 172.2 | -54 | 173.4 | 0 | 0 | 0 | 108.8 | V650 L700 I708 I719 | V650-I705 HydrophobicContact CB-CD1 3.88Å; V650-I705 HydrophobicContact CG2-CD1 3.47Å; V650-I705 VanDerWaalsContact CG2-CD1 3.47Å; L700-I705 HydrophobicContact CD2-CG1 4.12Å; I705-I708 HydrophobicContact CG2-CD1 4.1Å; I705-I708 HydrophobicContact CG2-CG1 3.76Å; I705-I719 HydrophobicContact CG2-CG2 3.67Å | ||
| 706 | S | 64.9 | Low | 79.3 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 60% | 0.601 | 36% | 0.357 | S | S | * | . | trans | -100.3 | -28 | 178.2 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | K704 I708 | K704-S706 PolarHBondContact O-N 3.21Å; K704-S706 VanDerWaalsContact O-N 3.17Å; S706-I708 PolarHBondContact O-N 3.49Å; S706-I708 VanDerWaalsContact O-N 3.15Å | ||
| 707 | N | 76.2 | Confident | 79.7 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | trans | -89.3 | 72.4 | -179.1 | -82.2 | -59.5 | 0 | 0 | 0 | 111.9 | R709 K720 | N707-R709 PolarHBondContact OD1-NH2 3.22Å; N707-K720 HydrophobicContact CB-CB 4.19Å; N707-K720 PolarHBondContact O-N 2.98Å; N707-K720 VanDerWaalsContact O-N 3.07Å | ||
| 708 | I | 83.1 | Confident | 79.9 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 8% | 0.077 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.6 | 167.7 | -50 | -175.5 | 0 | 0 | 0 | 107.2 | I641 T643 H648 I705 S706 I717 | I641-I708 HydrophobicContact CG2-CB 4.37Å; I641-I708 HydrophobicContact CG2-CG2 3.94Å; T643-I708 HydrophobicContact CG2-CD1 4.11Å; H648-I708 HydrophobicContact CB-CD1 3.68Å; H648-I708 WeakPolarHBondContact ND1-CD1 3.34Å; I705-I708 HydrophobicContact CG2-CD1 4.1Å; I705-I708 HydrophobicContact CG2-CG1 3.76Å; S706-I708 PolarHBondContact O-N 3.49Å; S706-I708 VanDerWaalsContact O-N 3.15Å; I708-I717 HydrophobicContact CG2-CG2 3.43Å; I708-I717 VanDerWaalsContact CG2-CG2 3.43Å |
| 709 | R | 85.7 | Confident | 79.9 | Confident | 157 Ų | 157 | 65.9 Ų | 65.9 | 59% | 0.592 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.4 | -178.1 | -60.1 | -175.6 | -169.6 | 176.6 | 5 | 110.5 | N707 I717 V718 | N707-R709 PolarHBondContact OD1-NH2 3.22Å; R709-I717 WeakPolarHBondContact O-CA 3.31Å; R709-V718 PolarHBondContact N-O 3.04Å; R709-V718 PolarHBondContact O-N 3.26Å |
| 710 | L | 83.2 | Confident | 80.1 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 30% | 0.298 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 141.1 | 166 | -160.1 | 55 | 0 | 0 | 0 | 109.2 | I636 I641 Q714 | I636-L710 HydrophobicContact CB-CD1 3.91Å; I636-L710 HydrophobicContact CG2-CD1 4.24Å; I641-L710 HydrophobicContact CD1-CB 3.63Å; I641-L710 HydrophobicContact CD1-CD1 3.99Å; I641-L710 HydrophobicContact CD1-CD2 4.1Å; I641-L710 HydrophobicContact CD1-CG 4.1Å; L710-Q714 HydrophobicContact CD2-CB 3.91Å; L710-Q714 HydrophobicContact CD2-CG 3.71Å; L710-Q714 HydrophobicContact CG-CB 4.34Å; L710-Q714 HydrophobicContact CG-CG 4.43Å |
| 711 | D | 81.1 | Confident | 80.2 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 17% | 0.171 | 35% | 0.347 | C | S | . | . | trans | -64.5 | 156.5 | 164.6 | 180 | 62.1 | 0 | 0 | 0 | 111.9 | S713 Q714 Y716 | D711-S713 PolarHBondContact O-N 3.08Å; D711-S713 VanDerWaalsContact OD2-CB 3.25Å; D711-S713 WeakPolarHBondContact OD2-CB 3.42Å; D711-S713 PolarHBondContact OD2-N 2.84Å; D711-S713 PolarHBondContact OD2-OG 2.75Å; D711-Q714 PolarHBondContact O-N 3.18Å; D711-Y716 HydrophobicContact CB-CD1 3.6Å; D711-Y716 HydrophobicContact CB-CD2 4.11Å; D711-Y716 HydrophobicContact CB-CE1 3.35Å; D711-Y716 HydrophobicContact CB-CE2 3.92Å; D711-Y716 HydrophobicContact CB-CG 3.95Å; D711-Y716 VanDerWaalsContact CB-CZ 3.49Å; D711-Y716 WeakPolarHBondContact CB-O 3.31Å; D711-Y716 VanDerWaalsContact CG-OH 3.24Å; D711-Y716 PolarHBondContact N-O 2.95Å; D711-Y716 WeakPolarHBondContact OD1-CE1 3.41Å; D711-Y716 VanDerWaalsContact OD1-CZ 3.23Å; D711-Y716 PolarHBondContact OD1-OH 2.63Å; D711-Y716 WeakPolarHBondContact OD2-CE1 3.42Å | ||
| 712 | S | 76.8 | Confident | 80.7 | Confident | 123 Ų | 123 | 66.8 Ų | 66.8 | 86% | 0.86 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.7 | 177.5 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | Q714 | S712-Q714 VanDerWaalsContact C-N 3.34Š|
| 713 | S | 77.1 | Confident | 81.4 | Confident | 60 Ų | 60 | 63 Ų | 63 | 42% | 0.42 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -2.7 | 175.6 | 69.4 | 0 | 0 | 0 | 0 | 114.8 | D711 S715 | D711-S713 PolarHBondContact O-N 3.08Å; D711-S713 VanDerWaalsContact OD2-CB 3.25Å; D711-S713 WeakPolarHBondContact OD2-CB 3.42Å; D711-S713 PolarHBondContact OD2-N 2.84Å; D711-S713 PolarHBondContact OD2-OG 2.75Å; S713-S715 PolarHBondContact O-N 3.41Å; S713-S715 VanDerWaalsContact O-N 3.1Å; S713-S715 WeakPolarHBondContact OG-CB 3.45Å; S713-S715 PolarHBondContact OG-N 2.93Å; S713-S715 PolarHBondContact OG-OG 3.03Å |
| 714 | Q | 77.2 | Confident | 82.5 | Confident | 99 Ų | 99 | 57.3 Ų | 57.3 | 46% | 0.463 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 60.1 | 8.4 | -170.7 | -49.8 | -167.1 | -18.7 | 0 | 0 | 116 | N635 I636 L710 D711 S712 | N635-Q714 HydrophobicContact CB-CB 4.4Å; I636-Q714 PolarHBondContact N-O 3.11Å; L710-Q714 HydrophobicContact CD2-CB 3.91Å; L710-Q714 HydrophobicContact CD2-CG 3.71Å; L710-Q714 HydrophobicContact CG-CB 4.34Å; L710-Q714 HydrophobicContact CG-CG 4.43Å; D711-Q714 PolarHBondContact O-N 3.18Å; S712-Q714 VanDerWaalsContact C-N 3.34Å |
| 715 | S | 82.3 | Confident | 83.5 | Confident | 39 Ų | 39 | 49 Ų | 49 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -90.7 | -17.9 | -172.9 | 69.6 | 0 | 0 | 0 | 0 | 115.3 | S713 | S713-S715 PolarHBondContact O-N 3.41Å; S713-S715 VanDerWaalsContact O-N 3.1Å; S713-S715 WeakPolarHBondContact OG-CB 3.45Å; S713-S715 PolarHBondContact OG-N 2.93Å; S713-S715 PolarHBondContact OG-OG 3.03Å |
| 716 | Y | 86.8 | Confident | 84.1 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | trans | -143.6 | 149.4 | 174.6 | 62.3 | -78 | 0 | 0 | 0 | 113.3 | N622 V623 D711 V718 | N622-Y716 HydrophobicContact CB-CD2 4.16Å; V623-Y716 CarbonylContact O-C 3.59Å; V623-Y716 WeakPolarHBondContact O-CA 3.5Å; V623-Y716 VanDerWaalsContact O-CB 3.26Å; V623-Y716 WeakPolarHBondContact O-CB 3.43Å; D711-Y716 HydrophobicContact CB-CD1 3.6Å; D711-Y716 HydrophobicContact CB-CD2 4.11Å; D711-Y716 HydrophobicContact CB-CE1 3.35Å; D711-Y716 HydrophobicContact CB-CE2 3.92Å; D711-Y716 HydrophobicContact CB-CG 3.95Å; D711-Y716 VanDerWaalsContact CB-CZ 3.49Å; D711-Y716 WeakPolarHBondContact CB-O 3.31Å; D711-Y716 VanDerWaalsContact CG-OH 3.24Å; D711-Y716 PolarHBondContact N-O 2.95Å; D711-Y716 WeakPolarHBondContact OD1-CE1 3.41Å; D711-Y716 VanDerWaalsContact OD1-CZ 3.23Å; D711-Y716 PolarHBondContact OD1-OH 2.63Å; D711-Y716 WeakPolarHBondContact OD2-CE1 3.42Å; Y716-V718 HydrophobicContact CD2-CG2 3.67Å; Y716-V718 HydrophobicContact CE2-CG2 3.43Å; Y716-V718 VanDerWaalsContact CE2-CG2 3.43Å | ||
| 717 | I | 88.2 | Confident | 85 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 134.5 | 166.5 | -68.6 | 154.7 | 0 | 0 | 0 | 107.9 | N622 V623 I636 L640 I708 R709 I719 | N622-I717 CarbonylContact C-O 3.59Å; N622-I717 WeakPolarHBondContact CA-O 3.06Å; V623-I717 HydrophobicContact CB-CB 4.24Å; V623-I717 PolarHBondContact N-O 3.49Å; V623-I717 PolarHBondContact O-N 2.79Å; I636-I717 HydrophobicContact CD1-CB 4.34Å; I636-I717 HydrophobicContact CD1-CD1 3.97Å; I636-I717 HydrophobicContact CD1-CG1 3.68Å; I636-I717 HydrophobicContact CG2-CD1 3.7Å; I636-I717 HydrophobicContact CG2-CG1 3.88Å; L640-I717 HydrophobicContact CB-CD1 4.26Å; L640-I717 HydrophobicContact CD2-CD1 3.56Å; I708-I717 HydrophobicContact CG2-CG2 3.43Å; I708-I717 VanDerWaalsContact CG2-CG2 3.43Å; R709-I717 WeakPolarHBondContact O-CA 3.31Å; I717-I719 HydrophobicContact CG2-CD1 4.21Å; I717-I719 HydrophobicContact CG2-CG1 3.63Å |
| 718 | V | 89 | Confident | 85.1 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121.9 | 169 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | E620 R709 Y716 K720 | E620-V718 HydrophobicContact CG-CG1 3.89Å; R709-V718 PolarHBondContact N-O 3.04Å; R709-V718 PolarHBondContact O-N 3.26Å; Y716-V718 HydrophobicContact CD2-CG2 3.67Å; Y716-V718 HydrophobicContact CE2-CG2 3.43Å; Y716-V718 VanDerWaalsContact CE2-CG2 3.43Å; V718-K720 HydrophobicContact CG1-CG 4.13Å |
| 719 | I | 89.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.6 | 178.4 | -48 | -176.3 | 0 | 0 | 0 | 108.1 | E620 M621 V623 I705 I717 F721 Y743 | E620-I719 WeakPolarHBondContact CA-O 3.31Å; M621-I719 HydrophobicContact CB-CB 4.4Å; M621-I719 PolarHBondContact N-O 2.9Å; M621-I719 PolarHBondContact O-N 3.21Å; V623-I719 HydrophobicContact CG2-CD1 3.84Å; V623-I719 HydrophobicContact CG2-CG1 4.34Å; I705-I719 HydrophobicContact CG2-CG2 3.67Å; I717-I719 HydrophobicContact CG2-CD1 4.21Å; I717-I719 HydrophobicContact CG2-CG1 3.63Å; I719-F721 HydrophobicContact CG2-CD1 4.34Å; I719-Y743 HydrophobicContact CD1-CD1 3.89Å; I719-Y743 HydrophobicContact CD1-CD2 3.95Å; I719-Y743 HydrophobicContact CD1-CE1 3.38Å; I719-Y743 HydrophobicContact CD1-CE2 3.46Å; I719-Y743 VanDerWaalsContact CD1-CE2 3.46Å; I719-Y743 HydrophobicContact CD1-CG 4.14Å; I719-Y743 WeakPolarHBondContact CD1-OH 3.41Å |
| 720 | K | 89.5 | Confident | 83.8 | Confident | 99 Ų | 99 | 45.6 Ų | 45.6 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.9 | 177.7 | -58.6 | -165.6 | 177.5 | -136 | 0 | 110.3 | E620 N707 V718 | E620-K720 HydrophobicContact CG-CG 4.4Å; E620-K720 WeakPolarHBondContact OE2-CE 3.48Å; E620-K720 IonicContact OE2-NZ 3.96Å; E620-K720 PolarHBondContact OE2-NZ 2.9Å; N707-K720 HydrophobicContact CB-CB 4.19Å; N707-K720 PolarHBondContact O-N 2.98Å; N707-K720 VanDerWaalsContact O-N 3.07Å; V718-K720 HydrophobicContact CG1-CG 4.13Å |
| 721 | F | 90.3 | Very high | 83.2 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 160.8 | 179.1 | 62.7 | -85.9 | 0 | 0 | 0 | 111.1 | F619 M621 V650 L700 I719 L723 I741 | F619-F721 HydrophobicContact CB-CD1 4.21Å; F619-F721 HydrophobicContact CB-CD2 3.91Å; F619-F721 HydrophobicContact CB-CE1 3.78Å; F619-F721 HydrophobicContact CB-CE2 3.43Å; F619-F721 VanDerWaalsContact CB-CE2 3.43Å; F619-F721 HydrophobicContact CB-CG 4.27Å; F619-F721 HydrophobicContact CB-CZ 3.37Å; F619-F721 HydrophobicContact CD1-CE2 4.4Å; F619-F721 HydrophobicContact CD1-CZ 4.34Å; F619-F721 HydrophobicContact CD2-CD2 4.43Å; F619-F721 AromaticContact CD2-CE2 3.97Å; F619-F721 HydrophobicContact CD2-CE2 3.97Å; F619-F721 HydrophobicContact CG-CD2 4.41Å; F619-F721 AromaticContact CG-CE2 3.7Å; F619-F721 HydrophobicContact CG-CE2 3.7Å; F619-F721 AromaticContact CG-CZ 3.91Å; F619-F721 HydrophobicContact CG-CZ 3.91Å; F619-F721 PolarHBondContact N-O 3.05Å; F619-F721 PolarHBondContact O-N 2.86Å; F619-F721 VanDerWaalsContact O-N 3.14Å; M621-F721 HydrophobicContact CB-CE1 4.29Å; V650-F721 HydrophobicContact CG1-CD2 4.1Å; V650-F721 HydrophobicContact CG1-CE1 4.44Å; V650-F721 HydrophobicContact CG1-CE2 3.73Å; V650-F721 HydrophobicContact CG1-CZ 3.92Å; V650-F721 HydrophobicContact CG2-CD1 4.11Å; V650-F721 HydrophobicContact CG2-CE1 4.03Å; V650-F721 HydrophobicContact CG2-CG 4.46Å; V650-F721 HydrophobicContact CG2-CZ 4.32Å; L700-F721 HydrophobicContact CD1-CB 3.9Å; L700-F721 HydrophobicContact CD1-CD2 3.92Å; L700-F721 HydrophobicContact CD1-CG 4.25Å; I719-F721 HydrophobicContact CG2-CD1 4.34Å; F721-L723 HydrophobicContact CD2-CD2 3.99Å; F721-L723 HydrophobicContact CD2-CG 4.16Å; F721-L723 HydrophobicContact CE2-CD1 4.34Å; F721-L723 HydrophobicContact CE2-CD2 4.12Å; F721-L723 HydrophobicContact CE2-CG 4.03Å; F721-I741 HydrophobicContact CE2-CG2 4.41Å; F721-I741 HydrophobicContact CZ-CG2 4.07Å |
| 722 | H | 90.5 | Very high | 82.7 | Confident | 77 Ų | 77 | 46 Ų | 46 | 36% | 0.356 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.9 | 178.6 | -54.1 | 100.3 | 0 | 0 | 0 | 109.4 | I617 A701 D702 | I617-H722 WeakPolarHBondContact O-CA 3.34Å; A701-H722 HydrophobicContact CB-CB 3.8Å; A701-H722 PolarHBondContact N-O 2.87Å; D702-H722 IonicContact OD2-ND1 2.63Å; D702-H722 PolarHBondContact OD2-ND1 2.96Å |
| 723 | L | 89.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.4 | 169.9 | -60.1 | -172.5 | 0 | 0 | 0 | 109.9 | I617 F619 P652 F698 Q699 L700 F721 I741 | I617-L723 PolarHBondContact N-O 2.77Å; I617-L723 PolarHBondContact O-N 3.02Å; F619-L723 HydrophobicContact CD2-CB 4.28Å; F619-L723 HydrophobicContact CD2-CD1 4.12Å; F619-L723 HydrophobicContact CD2-CG 3.86Å; F619-L723 HydrophobicContact CE2-CB 3.87Å; F619-L723 HydrophobicContact CE2-CD1 3.65Å; F619-L723 HydrophobicContact CE2-CG 3.72Å; F619-L723 HydrophobicContact CZ-CD1 4.03Å; P652-L723 HydrophobicContact CB-CD1 4.18Å; P652-L723 HydrophobicContact CB-CD2 3.58Å; F698-L723 HydrophobicContact CB-CB 4.35Å; F698-L723 HydrophobicContact CB-CD1 4.28Å; F698-L723 HydrophobicContact CD1-CB 4.25Å; Q699-L723 CarbonylContact O-C 3.54Å; Q699-L723 WeakPolarHBondContact O-CA 3.39Å; L700-L723 HydrophobicContact CD1-CD2 3.89Å; F721-L723 HydrophobicContact CD2-CD2 3.99Å; F721-L723 HydrophobicContact CD2-CG 4.16Å; F721-L723 HydrophobicContact CE2-CD1 4.34Å; F721-L723 HydrophobicContact CE2-CD2 4.12Å; F721-L723 HydrophobicContact CE2-CG 4.03Å; L723-I741 HydrophobicContact CD1-CD1 3.73Å; L723-I741 HydrophobicContact CD1-CG1 4.27Å |
| 724 | T | 89.6 | Confident | 82 | Confident | 25 Ų | 25 | 41.5 Ų | 41.5 | 15% | 0.153 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.7 | 171.9 | 41.4 | 0 | 0 | 0 | 0 | 110.1 | T615 T616 F698 Q699 A701 M726 | T615-T724 WeakPolarHBondContact O-CA 3.4Å; T616-T724 HydrophobicContact CG2-CG2 3.54Å; F698-T724 WeakPolarHBondContact CA-O 3.37Å; Q699-T724 PolarHBondContact N-O 3.39Å; Q699-T724 PolarHBondContact O-N 3.01Å; Q699-T724 PolarHBondContact O-OG1 2.88Å; Q699-T724 VanDerWaalsContact O-OG1 3.05Å; A701-T724 HydrophobicContact CB-CG2 3.9Å; T724-M726 VanDerWaalsContact CB-CE 3.48Å; T724-M726 WeakPolarHBondContact O-CE 3.1Å; T724-M726 PolarHBondContact O-N 2.99Å; T724-M726 VanDerWaalsContact OG1-CE 3.22Å; T724-M726 WeakPolarHBondContact OG1-CE 2.93Å |
| 725 | A | 88.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 119.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F611 G614 T615 F698 Y727 M732 | F611-A725 HydrophobicContact CD2-CB 4.13Å; G614-A725 PolarHBondContact N-O 2.88Å; T615-A725 PolarHBondContact O-N 2.82Å; F698-A725 HydrophobicContact CD1-CB 4.45Å; F698-A725 HydrophobicContact CE1-CB 4.15Å; A725-Y727 VanDerWaalsContact C-N 3.29Å; A725-Y727 PolarHBondContact O-N 3.02Å; A725-M732 HydrophobicContact CB-CE 3.69Å |
| 726 | M | 87.8 | Confident | 80.2 | Confident | 39 Ų | 39 | 41.3 Ų | 41.3 | 19% | 0.192 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -81.9 | -7.6 | -178.9 | -67.3 | -61.9 | 102.1 | 0 | 0 | 114.3 | K613 P696 R697 Q699 T724 | K613-M726 WeakPolarHBondContact CD-O 3.34Å; K613-M726 WeakPolarHBondContact CE-O 3.18Å; K613-M726 WeakPolarHBondContact CG-O 3.43Å; K613-M726 PolarHBondContact NZ-O 2.79Å; P696-M726 WeakPolarHBondContact O-CB 3.5Å; P696-M726 WeakPolarHBondContact O-CG 3.12Å; R697-M726 WeakPolarHBondContact O-CB 3.37Å; R697-M726 PolarHBondContact O-N 3.02Å; Q699-M726 HydrophobicContact CB-CE 4.06Å; Q699-M726 HydrophobicContact CB-CG 4.34Å; Q699-M726 HydrophobicContact CB-SD 4.29Å; T724-M726 VanDerWaalsContact CB-CE 3.48Å; T724-M726 WeakPolarHBondContact O-CE 3.1Å; T724-M726 PolarHBondContact O-N 2.99Å; T724-M726 VanDerWaalsContact OG1-CE 3.22Å; T724-M726 WeakPolarHBondContact OG1-CE 2.93Å |
| 727 | Y | 83.4 | Confident | 79.3 | Confident | 17 Ų | 17 | 39.9 Ų | 39.9 | 7% | 0.067 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -143.3 | 171.4 | -173.9 | -63.2 | -78.5 | 0 | 0 | 0 | 109.8 | K613 L691 H692 T695 A725 E731 M732 | K613-Y727 WeakPolarHBondContact CA-O 3.14Å; K613-Y727 PolarHBondContact N-O 3.2Å; L691-Y727 HydrophobicContact CD2-CD1 3.45Å; L691-Y727 VanDerWaalsContact CD2-CD1 3.45Å; L691-Y727 HydrophobicContact CD2-CD2 3.82Å; L691-Y727 HydrophobicContact CD2-CE1 3.5Å; L691-Y727 VanDerWaalsContact CD2-CE1 3.5Å; L691-Y727 HydrophobicContact CD2-CE2 3.85Å; L691-Y727 HydrophobicContact CD2-CG 3.59Å; H692-Y727 PolarHBondContact N-OH 2.81Å; H692-Y727 VanDerWaalsContact N-OH 3.07Å; H692-Y727 PolarHBondContact O-OH 2.84Å; T695-Y727 PolarHBondContact OG1-OH 3.36Å; A725-Y727 VanDerWaalsContact C-N 3.29Å; A725-Y727 PolarHBondContact O-N 3.02Å; Y727-E731 VanDerWaalsContact CA-OE2 3.28Å; Y727-E731 WeakPolarHBondContact CA-OE2 3.35Å; Y727-E731 VanDerWaalsContact CB-OE2 3.24Å; Y727-E731 WeakPolarHBondContact CB-OE2 3.29Å; Y727-M732 HydrophobicContact CD2-CE 4.42Å; Y727-M732 WeakPolarHBondContact O-CE 3.4Å |
| 728 | G | 77.8 | Confident | 78.6 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | trans | -77 | 157.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E730 E731 M732 | G728-E730 PolarHBondContact O-N 2.87Å; G728-E731 PolarHBondContact N-OE2 3.01Å; G728-E731 WeakPolarHBondContact O-CB 3.26Å; G728-E731 PolarHBondContact O-N 3.45Å; G728-M732 WeakPolarHBondContact O-CG 3.32Å; G728-M732 PolarHBondContact O-N 3.24Å; G728-M732 VanDerWaalsContact O-N 3.14Å | ||
| 729 | L | 72.7 | Confident | 78.4 | Confident | 21 Ų | 21 | 41.2 Ų | 41.2 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -52.6 | -41.6 | 175.1 | 172.4 | 61.7 | 0 | 0 | 0 | 112.5 | H610 F611 E731 M732 L734 A781 | H610-L729 HydrophobicContact CB-CD2 4.35Å; F611-L729 HydrophobicContact CD2-CB 4.01Å; F611-L729 HydrophobicContact CE1-CB 4.43Å; F611-L729 HydrophobicContact CE1-CD1 3.94Å; F611-L729 HydrophobicContact CE2-CB 3.89Å; F611-L729 HydrophobicContact CE2-CD1 4.1Å; F611-L729 HydrophobicContact CG-CB 4.35Å; F611-L729 HydrophobicContact CZ-CB 4.13Å; F611-L729 HydrophobicContact CZ-CD1 3.56Å; F611-L729 HydrophobicContact CZ-CG 4.36Å; F611-L729 PolarHBondContact O-N 2.84Å; L729-E731 VanDerWaalsContact C-N 3.3Å; L729-E731 PolarHBondContact O-N 3.18Å; L729-M732 PolarHBondContact O-N 3.17Å; L729-L734 HydrophobicContact CD1-CD1 3.91Å; L729-A781 HydrophobicContact CD1-CB 4.48Å; L729-A781 HydrophobicContact CD2-CB 4.35Å |
| 730 | E | 68.6 | Low | 78.3 | Confident | 173 Ų | 173 | 44.4 Ų | 44.4 | 81% | 0.808 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.7 | -32.5 | 178.6 | -65.4 | 174 | -164.1 | 0 | 0 | 112.8 | G728 | G728-E730 PolarHBondContact O-N 2.87Å |
| 731 | E | 71.2 | Confident | 78.3 | Confident | 93 Ų | 93 | 39.7 Ų | 39.7 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -80.1 | -31.1 | 179.7 | -60.2 | 172.8 | 157.4 | 0 | 0 | 112.1 | L691 Y727 G728 L729 | L691-E731 HydrophobicContact CD2-CB 4.19Å; Y727-E731 VanDerWaalsContact CA-OE2 3.28Å; Y727-E731 WeakPolarHBondContact CA-OE2 3.35Å; Y727-E731 VanDerWaalsContact CB-OE2 3.24Å; Y727-E731 WeakPolarHBondContact CB-OE2 3.29Å; G728-E731 PolarHBondContact N-OE2 3.01Å; G728-E731 WeakPolarHBondContact O-CB 3.26Å; G728-E731 PolarHBondContact O-N 3.45Å; L729-E731 VanDerWaalsContact C-N 3.3Å; L729-E731 PolarHBondContact O-N 3.18Å |
| 732 | M | 70.9 | Confident | 78.2 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -79 | -17 | -172.4 | -71.8 | -169.1 | -179.2 | 0 | 0 | 115.5 | F611 R697 F698 A725 Y727 G728 L729 L734 | F611-M732 HydrophobicContact CE2-SD 3.99Å; R697-M732 HydrophobicContact CB-CE 4.34Å; R697-M732 HydrophobicContact CB-SD 4.27Å; R697-M732 PolarHBondContact NH1-O 3.05Å; R697-M732 WeakPolarHBondContact O-CE 3.45Å; F698-M732 HydrophobicContact CE1-CE 4.29Å; F698-M732 HydrophobicContact CE1-SD 4.21Å; F698-M732 HydrophobicContact CE2-CE 4.41Å; F698-M732 HydrophobicContact CE2-SD 3.7Å; F698-M732 HydrophobicContact CZ-CE 4.15Å; F698-M732 HydrophobicContact CZ-SD 3.52Å; F698-M732 VanDerWaalsContact CZ-SD 3.52Å; A725-M732 HydrophobicContact CB-CE 3.69Å; Y727-M732 HydrophobicContact CD2-CE 4.42Å; Y727-M732 WeakPolarHBondContact O-CE 3.4Å; G728-M732 WeakPolarHBondContact O-CG 3.32Å; G728-M732 PolarHBondContact O-N 3.24Å; G728-M732 VanDerWaalsContact O-N 3.14Å; L729-M732 PolarHBondContact O-N 3.17Å; M732-L734 VanDerWaalsContact C-N 3.33Å; M732-L734 HydrophobicContact CB-CD1 4.29Å; M732-L734 HydrophobicContact CB-CD2 4.23Å; M732-L734 HydrophobicContact CB-CG 3.87Å; M732-L734 PolarHBondContact O-N 2.89Å; M732-L734 HydrophobicContact SD-CD1 4.3Å |
| 733 | N | 67.7 | Low | 78.2 | Confident | 77 Ų | 77 | 37.3 Ų | 37.3 | 41% | 0.412 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41 | 54.1 | -177.3 | -164.7 | -12.3 | 0 | 0 | 0 | 114.1 | N735 S736 V737 | N733-N735 PolarHBondContact O-N 2.79Å; N733-N735 VanDerWaalsContact O-N 3.11Å; N733-S736 PolarHBondContact ND2-OG 2.91Å; N733-S736 PolarHBondContact O-N 2.95Å; N733-S736 PolarHBondContact O-OG 2.95Å; N733-S736 PolarHBondContact OD1-OG 3.06Å; N733-V737 PolarHBondContact O-N 3.34Å |
| 734 | L | 70.8 | Confident | 78.1 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -14.3 | -175.8 | -64.1 | 167.1 | 0 | 0 | 0 | 113.9 | F611 F698 L729 M732 S736 V737 P738 L739 L780 | F611-L734 HydrophobicContact CE2-CD1 4.13Å; F611-L734 HydrophobicContact CZ-CD1 3.53Å; F698-L734 HydrophobicContact CE2-CD2 4.02Å; F698-L734 HydrophobicContact CZ-CD1 4.24Å; F698-L734 HydrophobicContact CZ-CD2 4.48Å; L729-L734 HydrophobicContact CD1-CD1 3.91Å; M732-L734 VanDerWaalsContact C-N 3.33Å; M732-L734 HydrophobicContact CB-CD1 4.29Å; M732-L734 HydrophobicContact CB-CD2 4.23Å; M732-L734 HydrophobicContact CB-CG 3.87Å; M732-L734 PolarHBondContact O-N 2.89Å; M732-L734 HydrophobicContact SD-CD1 4.3Å; L734-S736 VanDerWaalsContact C-N 3.29Å; L734-S736 PolarHBondContact O-N 2.88Å; L734-V737 CarbonylContact O-C 3.46Å; L734-P738 WeakPolarHBondContact O-CA 3.42Å; L734-L739 HydrophobicContact CD2-CB 4.45Å; L734-L780 HydrophobicContact CD1-CB 4.06Å; L734-L780 HydrophobicContact CD1-CD1 3.81Å |
| 735 | N | 62.4 | Low | 77.8 | Confident | 64 Ų | 64 | 39.6 Ų | 39.6 | 34% | 0.342 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -27.1 | 172.9 | -64.4 | -9.7 | 0 | 0 | 0 | 112.7 | N733 | N733-N735 PolarHBondContact O-N 2.79Å; N733-N735 VanDerWaalsContact O-N 3.11Å |
| 736 | S | 60.3 | Low | 77 | Confident | 71 Ų | 71 | 40.6 Ų | 40.6 | 50% | 0.497 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -31 | -179 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | N733 L734 | N733-S736 PolarHBondContact ND2-OG 2.91Å; N733-S736 PolarHBondContact O-N 2.95Å; N733-S736 PolarHBondContact O-OG 2.95Å; N733-S736 PolarHBondContact OD1-OG 3.06Å; L734-S736 VanDerWaalsContact C-N 3.29Å; L734-S736 PolarHBondContact O-N 2.88Å |
| 737 | V | 66.7 | Low | 76.1 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 16% | 0.158 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -124.7 | 93.5 | 170 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | L655 F684 R697 N733 L734 | L655-V737 HydrophobicContact CB-CG1 4.23Å; F684-V737 HydrophobicContact CD2-CG2 4.4Å; F684-V737 HydrophobicContact CE1-CG2 4.43Å; F684-V737 HydrophobicContact CE2-CG1 4.15Å; F684-V737 HydrophobicContact CE2-CG2 3.7Å; F684-V737 HydrophobicContact CZ-CB 4.33Å; F684-V737 HydrophobicContact CZ-CG1 3.64Å; F684-V737 HydrophobicContact CZ-CG2 3.74Å; R697-V737 PolarHBondContact NH1-O 2.86Å; R697-V737 PolarHBondContact NH2-O 2.74Å; N733-V737 PolarHBondContact O-N 3.34Å; L734-V737 CarbonylContact O-C 3.46Å |
| 738 | P | 74.9 | Confident | 75.3 | Confident | 48 Ų | 48 | 41.6 Ų | 41.6 | 31% | 0.312 | 23% | 0.227 | S | C | . | . | trans | -62.5 | 159.3 | -177.9 | 26.9 | -35.3 | 0 | 0 | 0 | 111.4 | L655 R697 L734 K740 L777 | L655-P738 HydrophobicContact CD1-CG 4.18Å; R697-P738 PolarHBondContact NH2-O 2.8Å; L734-P738 WeakPolarHBondContact O-CA 3.42Å; P738-K740 PolarHBondContact O-N 3.08Å; P738-L777 HydrophobicContact CB-CD2 3.99Å; P738-L777 HydrophobicContact CG-CD2 3.75Å | ||
| 739 | L | 83.9 | Confident | 74.3 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 119.3 | 174.3 | 177.5 | 58.6 | 0 | 0 | 0 | 109 | F619 P652 D653 F698 L734 I741 I778 L780 | F619-L739 HydrophobicContact CZ-CD2 4.27Å; P652-L739 VanDerWaalsContact O-CD1 3.26Å; P652-L739 WeakPolarHBondContact O-CD1 3.44Å; D653-L739 HydrophobicContact CB-CD1 3.96Å; F698-L739 HydrophobicContact CD2-CD1 3.47Å; F698-L739 VanDerWaalsContact CD2-CD1 3.47Å; F698-L739 HydrophobicContact CD2-CD2 4.19Å; F698-L739 HydrophobicContact CD2-CG 4.4Å; F698-L739 HydrophobicContact CE1-CD2 4.39Å; F698-L739 HydrophobicContact CE2-CB 4.47Å; F698-L739 HydrophobicContact CE2-CD1 3.69Å; F698-L739 HydrophobicContact CE2-CD2 3.88Å; F698-L739 HydrophobicContact CE2-CG 4.22Å; F698-L739 HydrophobicContact CG-CD1 4.23Å; F698-L739 HydrophobicContact CZ-CD2 3.99Å; L734-L739 HydrophobicContact CD2-CB 4.45Å; L739-I741 HydrophobicContact CD1-CG1 4.37Å; L739-I741 HydrophobicContact CD2-CD1 4.31Å; L739-I741 HydrophobicContact CG-CD1 4.46Å; L739-I741 HydrophobicContact CG-CG1 4.17Å; L739-I778 HydrophobicContact CB-CB 4.14Å; L739-I778 HydrophobicContact CD2-CB 4.27Å; L739-I778 HydrophobicContact CD2-CG2 4.3Å; L739-I778 HydrophobicContact CG-CB 4.24Å; L739-I778 PolarHBondContact O-N 2.9Å; L739-L780 HydrophobicContact CD2-CD1 4.24Å |
| 740 | K | 87.8 | Confident | 73.6 | Confident | 68 Ų | 68 | 48.8 Ų | 48.8 | 30% | 0.296 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117 | 174.3 | -174.3 | 178.2 | 174.2 | -177.1 | 0 | 109.3 | D653 V654 L655 P738 S775 L777 | D653-K740 CarbonylContact C-O 3.58Å; D653-K740 WeakPolarHBondContact CA-O 3.46Å; V654-K740 HydrophobicContact CB-CB 4.32Å; V654-K740 HydrophobicContact CB-CD 4.23Å; V654-K740 HydrophobicContact CB-CG 4.2Å; V654-K740 HydrophobicContact CG1-CD 4.43Å; V654-K740 HydrophobicContact CG2-CG 4.36Å; V654-K740 WeakPolarHBondContact CG2-O 3.44Å; V654-K740 PolarHBondContact N-O 3.08Å; L655-K740 HydrophobicContact CD1-CB 3.9Å; L655-K740 HydrophobicContact CD2-CD 4.33Å; L655-K740 HydrophobicContact CG-CB 3.87Å; L655-K740 HydrophobicContact CG-CD 4.15Å; P738-K740 PolarHBondContact O-N 3.08Å; K740-S775 WeakPolarHBondContact CE-OG 3.41Å; K740-L777 HydrophobicContact CB-CD2 3.91Å; K740-L777 HydrophobicContact CG-CD2 4.27Å |
| 741 | I | 88.5 | Confident | 72.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 144.4 | 177.9 | -59.1 | 174.1 | 0 | 0 | 0 | 108.1 | F619 V650 F721 L723 L739 S775 Q776 I778 | F619-I741 HydrophobicContact CD1-CD1 3.62Å; F619-I741 HydrophobicContact CE1-CD1 3.17Å; F619-I741 HydrophobicContact CE2-CD1 4.3Å; F619-I741 HydrophobicContact CG-CD1 4.34Å; F619-I741 HydrophobicContact CZ-CD1 3.58Å; V650-I741 HydrophobicContact CG1-CG2 3.86Å; F721-I741 HydrophobicContact CE2-CG2 4.41Å; F721-I741 HydrophobicContact CZ-CG2 4.07Å; L723-I741 HydrophobicContact CD1-CD1 3.73Å; L723-I741 HydrophobicContact CD1-CG1 4.27Å; L739-I741 HydrophobicContact CD1-CG1 4.37Å; L739-I741 HydrophobicContact CD2-CD1 4.31Å; L739-I741 HydrophobicContact CG-CD1 4.46Å; L739-I741 HydrophobicContact CG-CG1 4.17Å; I741-S775 CarbonylContact O-C 3.54Å; I741-S775 VanDerWaalsContact O-CA 3.26Å; I741-S775 WeakPolarHBondContact O-CA 2.98Å; I741-S775 PolarHBondContact O-OG 2.71Å; I741-Q776 PolarHBondContact N-O 3.13Å; I741-Q776 PolarHBondContact O-N 2.78Å; I741-I778 HydrophobicContact CD1-CG1 3.97Å; I741-I778 HydrophobicContact CG1-CG1 4.33Å |
| 742 | S | 89.5 | Confident | 71.9 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 158.9 | 165.6 | 70.7 | 0 | 0 | 0 | 0 | 112.1 | V650 N651 V654 C774 | V650-S742 CarbonylContact C-O 3.59Å; V650-S742 VanDerWaalsContact CA-O 3.31Å; V650-S742 WeakPolarHBondContact CA-O 3.15Å; N651-S742 WeakPolarHBondContact CB-OG 3.06Å; N651-S742 PolarHBondContact N-O 3.45Å; N651-S742 PolarHBondContact O-N 2.96Å; V654-S742 WeakPolarHBondContact CG2-OG 3.36Å; S742-C774 CarbonylContact C-O 3.54Å; S742-C774 VanDerWaalsContact CA-O 3.25Å; S742-C774 WeakPolarHBondContact CA-O 3.45Å |
| 743 | Y | 89.5 | Confident | 70.8 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.9 | 174.7 | 167.4 | -111.2 | 0 | 0 | 0 | 109.9 | M621 V623 H648 E649 V650 I719 W771 C774 | M621-Y743 WeakPolarHBondContact SD-CB 2.92Å; M621-Y743 HydrophobicContact SD-CD1 3.77Å; M621-Y743 HydrophobicContact SD-CG 3.75Å; V623-Y743 HydrophobicContact CG2-CD1 4.25Å; V623-Y743 HydrophobicContact CG2-CE1 4.03Å; H648-Y743 HydrophobicContact CB-CE2 4.27Å; H648-Y743 AromaticContact ND1-CZ 3.85Å; H648-Y743 PolarHBondContact ND1-OH 2.88Å; E649-Y743 WeakPolarHBondContact O-CA 3.28Å; E649-Y743 WeakPolarHBondContact O-CD2 3.38Å; V650-Y743 HydrophobicContact CG2-CD2 3.9Å; I719-Y743 HydrophobicContact CD1-CD1 3.89Å; I719-Y743 HydrophobicContact CD1-CD2 3.95Å; I719-Y743 HydrophobicContact CD1-CE1 3.38Å; I719-Y743 HydrophobicContact CD1-CE2 3.46Å; I719-Y743 VanDerWaalsContact CD1-CE2 3.46Å; I719-Y743 HydrophobicContact CD1-CG 4.14Å; I719-Y743 WeakPolarHBondContact CD1-OH 3.41Å; Y743-W771 HydrophobicContact CD1-CE3 4.01Å; Y743-W771 AromaticContact CD1-CZ3 3.8Å; Y743-W771 HydrophobicContact CD1-CZ3 3.8Å; Y743-W771 AromaticContact CE1-CE3 3.99Å; Y743-W771 HydrophobicContact CE1-CE3 3.99Å; Y743-W771 AromaticContact CE1-CH2 3.78Å; Y743-W771 HydrophobicContact CE1-CH2 3.78Å; Y743-W771 AromaticContact CE1-CZ3 3.37Å; Y743-W771 HydrophobicContact CE1-CZ3 3.37Å; Y743-C774 PolarHBondContact N-O 2.88Å; Y743-C774 WeakPolarHBondContact O-CB 3.24Å |
| 744 | K | 86.7 | Confident | 69.5 | Low | 66 Ų | 66 | 50.2 Ų | 50.2 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 151.9 | 167.8 | 67.2 | 175.9 | -174 | 170.4 | 0 | 110.8 | E35 E649 W771 | E35-K744 VanDerWaalsContact CD-NZ 3.31Å; E35-K744 IonicContact OE1-NZ 2.66Å; E35-K744 PolarHBondContact OE1-NZ 2.91Å; E35-K744 IonicContact OE2-NZ 3.67Å; E35-K744 PolarHBondContact OE2-NZ 2.94Å; E649-K744 HydrophobicContact CB-CG 4.1Å; E649-K744 PolarHBondContact N-O 2.85Å; E649-K744 PolarHBondContact O-N 3.21Å; E649-K744 WeakPolarHBondContact OE2-CE 3.4Å; E649-K744 IonicContact OE2-NZ 2.96Å; K744-W771 HydrophobicContact CB-CG 4.36Å |
| 745 | S | 83.5 | Confident | 68.2 | Low | 6 Ų | 6 | 57.3 Ų | 57.3 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 106.6 | 169 | -172 | 0 | 0 | 0 | 0 | 109.8 | R646 H647 H648 W771 | R646-S745 WeakPolarHBondContact CD-OG 3.43Å; H647-S745 WeakPolarHBondContact O-CA 3.23Å; H648-S745 PolarHBondContact CE1-OG 2.99Å; H648-S745 PolarHBondContact ND1-OG 2.75Å; S745-W771 PolarHBondContact O-NE1 2.81Å |
| 746 | G | 73.2 | Confident | 67.4 | Low | 21 Ų | 21 | 62.4 Ų | 62.4 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 146.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R646 H647 | R646-G746 CarbonylContact C-O 3.54Å; R646-G746 VanDerWaalsContact CA-O 3.28Å; R646-G746 WeakPolarHBondContact CA-O 3.2Å; H647-G746 PolarHBondContact N-O 2.97Å; H647-G746 PolarHBondContact O-N 3.27Å |
| 747 | L | 68.6 | Low | 66.7 | Low | 23 Ų | 23 | 62.6 Ų | 62.6 | 12% | 0.12 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 131 | 171.1 | -170.6 | 73 | 0 | 0 | 0 | 109.6 | I645 R646 L749 H766 | I645-L747 HydrophobicContact CG2-CD1 3.83Å; R646-L747 HydrophobicContact CG-CD1 4.29Å; L747-L749 VanDerWaalsContact C-N 3.33Å; L747-L749 HydrophobicContact CD2-CD2 4.44Å; L747-L749 PolarHBondContact O-N 3.07Å; L747-H766 HydrophobicContact CD1-CB 4.35Å; L747-H766 WeakPolarHBondContact CD1-ND1 3.47Å; L747-H766 HydrophobicContact CD2-CB 4.32Å |
| 748 | N | 65.2 | Low | 65.5 | Low | 55 Ų | 55 | 63.8 Ų | 63.8 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | trans | -79.6 | 82.9 | 174.3 | -171.7 | 9.3 | 0 | 0 | 0 | 110.8 | I645 T750 E751 | I645-N748 WeakPolarHBondContact O-CB 3.48Å; I645-N748 PolarHBondContact O-N 3.37Å; N748-T750 PolarHBondContact O-N 2.76Å; N748-T750 PolarHBondContact OD1-OG1 2.73Å; N748-E751 PolarHBondContact O-N 3.45Å; N748-E751 VanDerWaalsContact O-N 3.08Å | ||
| 749 | L | 58.2 | Low | 64.2 | Low | 94 Ų | 94 | 68.3 Ų | 68.3 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.4 | -23.5 | -177.9 | -80.1 | 155.7 | 0 | 0 | 0 | 114.4 | L747 E751 C752 | L747-L749 VanDerWaalsContact C-N 3.33Å; L747-L749 HydrophobicContact CD2-CD2 4.44Å; L747-L749 PolarHBondContact O-N 3.07Å; L749-E751 VanDerWaalsContact C-N 3.31Å; L749-E751 PolarHBondContact O-N 3.28Å; L749-C752 PolarHBondContact O-N 3Å |
| 750 | T | 57.9 | Low | 62.4 | Low | 93 Ų | 93 | 73.1 Ų | 73.1 | 57% | 0.571 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.5 | -30.1 | 178.3 | 63.8 | 0 | 0 | 0 | 0 | 113.2 | N748 | N748-T750 PolarHBondContact O-N 2.76Å; N748-T750 PolarHBondContact OD1-OG1 2.73Å |
| 751 | E | 52.2 | Low | 60.7 | Low | 92 Ų | 92 | 71.4 Ų | 71.4 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -78.1 | -27 | 178.3 | -68.7 | -168.6 | -173 | 0 | 0 | 112.8 | N748 L749 N753 | N748-E751 PolarHBondContact O-N 3.45Å; N748-E751 VanDerWaalsContact O-N 3.08Å; L749-E751 VanDerWaalsContact C-N 3.31Å; L749-E751 PolarHBondContact O-N 3.28Å; E751-N753 VanDerWaalsContact C-N 3.31Å; E751-N753 PolarHBondContact O-N 2.79Å |
| 752 | C | 52.6 | Low | 59 | Low | 20 Ų | 20 | 73.5 Ų | 73.5 | 14% | 0.135 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -75.9 | -15 | 175 | -71 | 0 | 0 | 0 | 0 | 114.2 | L749 C761 | L749-C752 PolarHBondContact O-N 3Å; C752-C761 WeakPolarHBondContact CA-SG 3.31Å; C752-C761 HydrophobicContact CB-CB 3.97Å; C752-C761 WeakPolarHBondContact CB-SG 3.14Å; C752-C761 WeakPolarHBondContact SG-CB 3.3Å; C752-C761 CovalentContact SG-SG 2.04Å; C752-C761 PolarHBondContact SG-SG 3.04Å |
| 753 | N | 47.3 | Very low | 57.6 | Low | 115 Ų | 115 | 73.7 Ų | 73.7 | 62% | 0.615 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -3.1 | -174.6 | -79.7 | -15.3 | 0 | 0 | 0 | 114.8 | E751 | E751-N753 VanDerWaalsContact C-N 3.31Å; E751-N753 PolarHBondContact O-N 2.79Å |
| 754 | F | 40.6 | Very low | 56 | Low | 148 Ų | 148 | 77.9 Ų | 77.9 | 65% | 0.649 | 40% | 0.397 | S | S | * | . | trans | -92.5 | 120.9 | 177 | -93.5 | -87.8 | 0 | 0 | 0 | 112.1 | Q756 N757 | F754-Q756 PolarHBondContact O-N 3.21Å; F754-N757 PolarHBondContact O-N 3.46Å | ||
| 755 | M | 42.5 | Very low | 54.6 | Low | 161 Ų | 161 | 77.6 Ų | 77.6 | 79% | 0.793 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 2.9 | -179.2 | -71.2 | -157.1 | 75.1 | 0 | 0 | 116.7 | ||
| 756 | Q | 46.3 | Very low | 53.7 | Low | 171 Ų | 171 | 77.8 Ų | 77.8 | 80% | 0.799 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 3.1 | -176.8 | -68.1 | -179.4 | -21.9 | 0 | 0 | 113.8 | F754 | F754-Q756 PolarHBondContact O-N 3.21Š|
| 757 | N | 44.4 | Very low | 53.6 | Low | 76 Ų | 76 | 77.2 Ų | 77.2 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | trans | -137.4 | 38.4 | -179.1 | -84.6 | -66.3 | 0 | 0 | 0 | 113.2 | F754 D759 K760 | F754-N757 PolarHBondContact O-N 3.46Å; N757-D759 PolarHBondContact O-N 3.15Å; N757-D759 VanDerWaalsContact O-N 3.11Å; N757-K760 HydrophobicContact CB-CD 4.42Å; N757-K760 PolarHBondContact O-N 2.79Å; N757-K760 PolarHBondContact OD1-NZ 3.29Å | ||
| 758 | L | 43.1 | Very low | 53.9 | Low | 50 Ų | 50 | 76.3 Ų | 76.3 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -56.2 | -30.6 | -176.1 | -90.9 | 84 | 0 | 0 | 0 | 113.9 | T45 S126 L127 K760 | T45-L758 HydrophobicContact CG2-CD2 4.2Å; S126-L758 WeakPolarHBondContact CB-O 3.28Å; L127-L758 HydrophobicContact CD1-CD2 3.96Å; L758-K760 PolarHBondContact O-N 2.82Å |
| 759 | D | 46 | Very low | 54.6 | Low | 144 Ų | 144 | 74.5 Ų | 74.5 | 77% | 0.77 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -67.5 | 3.1 | -173.8 | -49.7 | -26.7 | 0 | 0 | 0 | 115.2 | N757 | N757-D759 PolarHBondContact O-N 3.15Å; N757-D759 VanDerWaalsContact O-N 3.11Å |
| 760 | K | 46.5 | Very low | 55.7 | Low | 101 Ų | 101 | 70.8 Ų | 70.8 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -112.9 | -6.7 | -173.2 | -68.5 | 172.6 | -177 | 156.8 | 0 | 115.4 | N757 L758 H766 | N757-K760 HydrophobicContact CB-CD 4.42Å; N757-K760 PolarHBondContact O-N 2.79Å; N757-K760 PolarHBondContact OD1-NZ 3.29Å; L758-K760 PolarHBondContact O-N 2.82Å; K760-H766 PolarHBondContact O-NE2 3.32Å; K760-H766 VanDerWaalsContact O-NE2 3.08Å |
| 761 | C | 52 | Low | 57 | Low | 33 Ų | 33 | 68 Ų | 68 | 22% | 0.223 | 34% | 0.335 | C | S | . | . | trans | -112.6 | 49.7 | -172.8 | -61.3 | 0 | 0 | 0 | 0 | 113.3 | C752 | C752-C761 WeakPolarHBondContact CA-SG 3.31Å; C752-C761 HydrophobicContact CB-CB 3.97Å; C752-C761 WeakPolarHBondContact CB-SG 3.14Å; C752-C761 WeakPolarHBondContact SG-CB 3.3Å; C752-C761 CovalentContact SG-SG 2.04Å; C752-C761 PolarHBondContact SG-SG 3.04Å | ||
| 762 | N | 54.3 | Low | 58.3 | Low | 44 Ų | 44 | 65.3 Ų | 65.3 | 24% | 0.235 | 33% | 0.326 | C | S | . | . | trans | -65.5 | 120.2 | 179 | -162.4 | 13.5 | 0 | 0 | 0 | 111.8 | W128 Q764 E765 H766 | W128-N762 WeakPolarHBondContact CZ2-OD1 3.41Å; W128-N762 PolarHBondContact NE1-OD1 2.84Å; N762-Q764 PolarHBondContact O-N 2.81Å; N762-Q764 VanDerWaalsContact O-N 3.09Å; N762-E765 HydrophobicContact CB-CB 4.12Å; N762-E765 HydrophobicContact CB-CG 4.03Å; N762-E765 PolarHBondContact ND2-OE1 3.44Å; N762-E765 PolarHBondContact O-N 2.77Å; N762-H766 PolarHBondContact O-CD2 3.23Å; N762-H766 PolarHBondContact O-N 2.95Å | ||
| 763 | K | 58.9 | Low | 59.8 | Low | 31 Ų | 31 | 68.2 Ų | 68.2 | 14% | 0.135 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.9 | -176.8 | 162.3 | -176.2 | 173.6 | -155.3 | 0 | 113 | W128 D567 D569 E573 T589 M590 | W128-K763 HydrophobicContact CD2-CB 4.43Å; W128-K763 HydrophobicContact CE3-CB 4.01Å; W128-K763 HydrophobicContact CE3-CD 4.06Å; W128-K763 HydrophobicContact CE3-CG 4.32Å; W128-K763 VanDerWaalsContact CH2-C 3.5Å; W128-K763 HydrophobicContact CH2-CB 3.33Å; W128-K763 HydrophobicContact CH2-CD 4.18Å; W128-K763 HydrophobicContact CH2-CG 3.64Å; W128-K763 HydrophobicContact CZ2-CB 3.78Å; W128-K763 HydrophobicContact CZ3-CB 3.47Å; W128-K763 VanDerWaalsContact CZ3-CB 3.47Å; W128-K763 HydrophobicContact CZ3-CD 3.5Å; W128-K763 VanDerWaalsContact CZ3-CD 3.5Å; W128-K763 HydrophobicContact CZ3-CG 3.5Å; D567-K763 IonicContact OD1-NZ 2.84Å; D567-K763 WeakPolarHBondContact OD2-CD 3.24Å; D567-K763 WeakPolarHBondContact OD2-CE 3.34Å; D567-K763 IonicContact OD2-NZ 2.68Å; D567-K763 PolarHBondContact OD2-NZ 3.44Å; D569-K763 IonicContact OD1-NZ 3.18Å; D569-K763 WeakPolarHBondContact OD2-CE 3.48Å; D569-K763 IonicContact OD2-NZ 3.98Å; D569-K763 PolarHBondContact OD2-NZ 3.13Å; E573-K763 IonicContact OE1-NZ 2.81Å; E573-K763 PolarHBondContact OE1-NZ 2.78Å; T589-K763 PolarHBondContact OG1-NZ 2.95Å; M590-K763 WeakPolarHBondContact O-CE 3.46Å; M590-K763 PolarHBondContact O-NZ 3.18Å; M590-K763 VanDerWaalsContact O-NZ 3.14Å |
| 764 | Q | 55.6 | Low | 61.7 | Low | 91 Ų | 91 | 62.8 Ų | 62.8 | 43% | 0.425 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -24.3 | 175.2 | -98.5 | 160.5 | 48.9 | 0 | 0 | 113.4 | W128 N762 | W128-Q764 HydrophobicContact CH2-CB 3.8Å; W128-Q764 HydrophobicContact CH2-CG 3.62Å; W128-Q764 HydrophobicContact CZ2-CB 3.77Å; W128-Q764 HydrophobicContact CZ2-CG 3.96Å; N762-Q764 PolarHBondContact O-N 2.81Å; N762-Q764 VanDerWaalsContact O-N 3.09Å |
| 765 | E | 57 | Low | 63.9 | Low | 60 Ų | 60 | 57.7 Ų | 57.7 | 28% | 0.28 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -15.1 | 176.4 | -71.1 | 172.2 | -138.6 | 0 | 0 | 112.2 | R646 N762 P767 | R646-E765 PolarHBondContact NH1-O 3.16Å; N762-E765 HydrophobicContact CB-CB 4.12Å; N762-E765 HydrophobicContact CB-CG 4.03Å; N762-E765 PolarHBondContact ND2-OE1 3.44Å; N762-E765 PolarHBondContact O-N 2.77Å; E765-P767 WeakPolarHBondContact O-CD 3.43Å |
| 766 | H | 65.1 | Low | 65.9 | Low | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.051 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -119.1 | 56.2 | -173.3 | -58.1 | -43 | 0 | 0 | 0 | 113.3 | L747 K760 N762 | L747-H766 HydrophobicContact CD1-CB 4.35Å; L747-H766 WeakPolarHBondContact CD1-ND1 3.47Å; L747-H766 HydrophobicContact CD2-CB 4.32Å; K760-H766 PolarHBondContact O-NE2 3.32Å; K760-H766 VanDerWaalsContact O-NE2 3.08Å; N762-H766 PolarHBondContact O-CD2 3.23Å; N762-H766 PolarHBondContact O-N 2.95Å |
| 767 | P | 72 | Confident | 67.7 | Low | 8 Ų | 8 | 50.4 Ų | 50.4 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | trans | -62.9 | 150.3 | 174.2 | 28.6 | -35.9 | 0 | 0 | 0 | 111.6 | K592 L594 L640 E765 I769 | K592-P767 HydrophobicContact CB-CB 4.27Å; K592-P767 CarbonylContact O-C 3.21Å; K592-P767 VanDerWaalsContact O-CA 3.28Å; K592-P767 WeakPolarHBondContact O-CA 3.44Å; K592-P767 VanDerWaalsContact O-CB 3.24Å; K592-P767 WeakPolarHBondContact O-CB 3.33Å; L594-P767 HydrophobicContact CD1-CB 3.5Å; L594-P767 VanDerWaalsContact CD1-CB 3.5Å; L594-P767 HydrophobicContact CD1-CG 3.65Å; L594-P767 HydrophobicContact CG-CB 3.9Å; L640-P767 HydrophobicContact CD1-CG 3.85Å; E765-P767 WeakPolarHBondContact O-CD 3.43Å; P767-I769 HydrophobicContact CB-CG1 4.36Å; P767-I769 HydrophobicContact CG-CD1 4.06Å; P767-I769 HydrophobicContact CG-CG1 4.11Å | ||
| 768 | L | 75.2 | Confident | 69.5 | Low | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 122.2 | 160.8 | -78.3 | 161.9 | 0 | 0 | 0 | 107.4 | F33 Q36 P591 K592 L593 L594 | F33-L768 HydrophobicContact CE1-CB 4.5Å; F33-L768 HydrophobicContact CE1-CD1 4.31Å; F33-L768 HydrophobicContact CE1-CD2 4.14Å; Q36-L768 HydrophobicContact CB-CD2 3.71Å; P591-L768 HydrophobicContact CB-CD1 4.22Å; P591-L768 HydrophobicContact CB-CG 4.22Å; P591-L768 HydrophobicContact CG-CD1 4.12Å; P591-L768 HydrophobicContact CG-CG 4.33Å; K592-L768 PolarHBondContact O-N 3.42Å; L593-L768 WeakPolarHBondContact CA-O 3.22Å; L593-L768 HydrophobicContact CD1-CB 4.18Å; L594-L768 PolarHBondContact N-O 3.4Å |
| 769 | I | 79.6 | Confident | 70.7 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 9% | 0.087 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.1 | -180 | -65.8 | 172.5 | 0 | 0 | 0 | 109.7 | L594 L625 L640 P767 W771 | L594-I769 HydrophobicContact CB-CG1 4.25Å; L594-I769 WeakPolarHBondContact O-CA 3.32Å; L625-I769 HydrophobicContact CD1-CD1 4.18Å; L625-I769 HydrophobicContact CD2-CD1 3.79Å; L625-I769 HydrophobicContact CD2-CG1 4.26Å; L625-I769 HydrophobicContact CD2-CG2 4.16Å; L640-I769 HydrophobicContact CD1-CD1 3.48Å; L640-I769 VanDerWaalsContact CD1-CD1 3.48Å; L640-I769 HydrophobicContact CD2-CD1 3.72Å; L640-I769 HydrophobicContact CG-CD1 4.08Å; P767-I769 HydrophobicContact CB-CG1 4.36Å; P767-I769 HydrophobicContact CG-CD1 4.06Å; P767-I769 HydrophobicContact CG-CG1 4.11Å; I769-W771 HydrophobicContact CB-CD2 4.47Å; I769-W771 HydrophobicContact CB-CZ2 3.9Å; I769-W771 HydrophobicContact CD1-CH2 4.21Å; I769-W771 HydrophobicContact CD1-CZ2 3.76Å; I769-W771 HydrophobicContact CG1-CZ2 4.43Å; I769-W771 HydrophobicContact CG2-CD2 3.72Å; I769-W771 VanDerWaalsContact CG2-CE2 3.45Å; I769-W771 HydrophobicContact CG2-CE3 4.11Å; I769-W771 HydrophobicContact CG2-CG 4.2Å; I769-W771 HydrophobicContact CG2-CH2 4.01Å; I769-W771 HydrophobicContact CG2-CZ2 3.61Å; I769-W771 HydrophobicContact CG2-CZ3 4.24Å; I769-W771 PolarHBondContact O-N 3.28Å |
| 770 | D | 80.8 | Confident | 71.6 | Confident | 17 Ų | 17 | 46.4 Ų | 46.4 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 109 | 163.8 | 169.7 | 18 | 0 | 0 | 0 | 109.3 | S32 L594 K595 S596 S772 | S32-D770 WeakPolarHBondContact CB-OD1 3.25Å; S32-D770 PolarHBondContact OG-OD1 3.29Å; L594-D770 PolarHBondContact O-N 2.79Å; K595-D770 VanDerWaalsContact CE-OD2 3.23Å; K595-D770 WeakPolarHBondContact CE-OD2 3.41Å; K595-D770 HydrophobicContact CG-CB 4.31Å; S596-D770 WeakPolarHBondContact CB-O 3.49Å; S596-D770 PolarHBondContact N-O 2.84Å; S596-D770 PolarHBondContact OG-O 2.85Å; D770-S772 VanDerWaalsContact CG-OG 3.23Å; D770-S772 WeakPolarHBondContact OD1-CB 3.3Å; D770-S772 PolarHBondContact OD1-N 2.95Å; D770-S772 PolarHBondContact OD1-OG 3.22Å; D770-S772 PolarHBondContact OD2-OG 2.88Å; D770-S772 VanDerWaalsContact OD2-OG 3.04Å |
| 771 | W | 85.1 | Confident | 72 | Confident | 35 Ų | 35 | 43.7 Ų | 43.7 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 10.9 | 177.2 | -63.7 | 106.5 | 0 | 0 | 0 | 113.9 | S596 V623 L640 Y743 K744 S745 I769 E773 C774 | S596-W771 WeakPolarHBondContact OG-CA 3.26Å; V623-W771 HydrophobicContact CG1-CH2 4.35Å; V623-W771 HydrophobicContact CG1-CZ3 3.78Å; L640-W771 HydrophobicContact CD2-CH2 4.21Å; Y743-W771 HydrophobicContact CD1-CE3 4.01Å; Y743-W771 AromaticContact CD1-CZ3 3.8Å; Y743-W771 HydrophobicContact CD1-CZ3 3.8Å; Y743-W771 AromaticContact CE1-CE3 3.99Å; Y743-W771 HydrophobicContact CE1-CE3 3.99Å; Y743-W771 AromaticContact CE1-CH2 3.78Å; Y743-W771 HydrophobicContact CE1-CH2 3.78Å; Y743-W771 AromaticContact CE1-CZ3 3.37Å; Y743-W771 HydrophobicContact CE1-CZ3 3.37Å; K744-W771 HydrophobicContact CB-CG 4.36Å; S745-W771 PolarHBondContact O-NE1 2.81Å; I769-W771 HydrophobicContact CB-CD2 4.47Å; I769-W771 HydrophobicContact CB-CZ2 3.9Å; I769-W771 HydrophobicContact CD1-CH2 4.21Å; I769-W771 HydrophobicContact CD1-CZ2 3.76Å; I769-W771 HydrophobicContact CG1-CZ2 4.43Å; I769-W771 HydrophobicContact CG2-CD2 3.72Å; I769-W771 VanDerWaalsContact CG2-CE2 3.45Å; I769-W771 HydrophobicContact CG2-CE3 4.11Å; I769-W771 HydrophobicContact CG2-CG 4.2Å; I769-W771 HydrophobicContact CG2-CH2 4.01Å; I769-W771 HydrophobicContact CG2-CZ2 3.61Å; I769-W771 HydrophobicContact CG2-CZ3 4.24Å; I769-W771 PolarHBondContact O-N 3.28Å; W771-E773 PolarHBondContact O-N 2.79Å; W771-C774 HydrophobicContact CE3-CB 4.13Å; W771-C774 WeakPolarHBondContact O-CB 3.37Å; W771-C774 PolarHBondContact O-N 3.13Å |
| 772 | S | 79.9 | Confident | 71.9 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | -44.8 | -175.4 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | D770 C774 | D770-S772 VanDerWaalsContact CG-OG 3.23Å; D770-S772 WeakPolarHBondContact OD1-CB 3.3Å; D770-S772 PolarHBondContact OD1-N 2.95Å; D770-S772 PolarHBondContact OD1-OG 3.22Å; D770-S772 PolarHBondContact OD2-OG 2.88Å; D770-S772 VanDerWaalsContact OD2-OG 3.04Å; S772-C774 PolarHBondContact O-N 3.4Å |
| 773 | E | 83.4 | Confident | 71.7 | Confident | 80 Ų | 80 | 51.5 Ų | 51.5 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -0.5 | 177.9 | -59.3 | -169.8 | -175 | 0 | 0 | 113.2 | K595 W771 S775 | K595-E773 VanDerWaalsContact CE-OE1 3.24Å; K595-E773 WeakPolarHBondContact CE-OE1 3.21Å; K595-E773 IonicContact NZ-OE1 3.56Å; K595-E773 PolarHBondContact NZ-OE1 3.34Å; W771-E773 PolarHBondContact O-N 2.79Å; E773-S775 VanDerWaalsContact C-N 3.3Å; E773-S775 PolarHBondContact O-N 3.09Å |
| 774 | C | 87.9 | Confident | 71.3 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 33.1 | 176.4 | -63.2 | 0 | 0 | 0 | 0 | 113.9 | S596 C598 S742 Y743 W771 S772 | S596-C774 PolarHBondContact OG-SG 2.95Å; C598-C774 HydrophobicContact CB-CB 3.74Å; C598-C774 WeakPolarHBondContact CB-SG 3.44Å; C598-C774 WeakPolarHBondContact SG-CB 3.39Å; C598-C774 CovalentContact SG-SG 2.03Å; C598-C774 PolarHBondContact SG-SG 3.29Å; S742-C774 CarbonylContact C-O 3.54Å; S742-C774 VanDerWaalsContact CA-O 3.25Å; S742-C774 WeakPolarHBondContact CA-O 3.45Å; Y743-C774 PolarHBondContact N-O 2.88Å; Y743-C774 WeakPolarHBondContact O-CB 3.24Å; W771-C774 HydrophobicContact CE3-CB 4.13Å; W771-C774 WeakPolarHBondContact O-CB 3.37Å; W771-C774 PolarHBondContact O-N 3.13Å; S772-C774 PolarHBondContact O-N 3.4Å |
| 775 | S | 86.2 | Confident | 71.4 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 29% | 0.287 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 131.1 | 164.2 | -169.4 | 0 | 0 | 0 | 0 | 112.3 | K740 I741 E773 | K740-S775 WeakPolarHBondContact CE-OG 3.41Å; I741-S775 CarbonylContact O-C 3.54Å; I741-S775 VanDerWaalsContact O-CA 3.26Å; I741-S775 WeakPolarHBondContact O-CA 2.98Å; I741-S775 PolarHBondContact O-OG 2.71Å; E773-S775 VanDerWaalsContact C-N 3.3Å; E773-S775 PolarHBondContact O-N 3.09Å |
| 776 | Q | 85.3 | Confident | 71.1 | Confident | 73 Ų | 73 | 57.5 Ų | 57.5 | 34% | 0.341 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 141.9 | -173.6 | -166.3 | 177.6 | -28 | 0 | 0 | 111.3 | V600 I741 | V600-Q776 HydrophobicContact CG2-CB 4.05Å; I741-Q776 PolarHBondContact N-O 3.13Å; I741-Q776 PolarHBondContact O-N 2.78Å |
| 777 | L | 84.2 | Confident | 70.5 | Confident | 105 Ų | 105 | 63 Ų | 63 | 55% | 0.55 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 138 | 172.8 | -78 | 162.6 | 0 | 0 | 0 | 110.9 | L655 P738 K740 | L655-L777 HydrophobicContact CD1-CD2 4.49Å; P738-L777 HydrophobicContact CB-CD2 3.99Å; P738-L777 HydrophobicContact CG-CD2 3.75Å; K740-L777 HydrophobicContact CB-CD2 3.91Å; K740-L777 HydrophobicContact CG-CD2 4.27Å |
| 778 | I | 81.2 | Confident | 69.8 | Low | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.051 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.9 | -177.9 | -54.5 | -51.4 | 0 | 0 | 0 | 109.3 | V600 I602 F619 L739 I741 L780 | V600-I778 HydrophobicContact CG1-CD1 4.22Å; I602-I778 HydrophobicContact CD1-CB 4.38Å; I602-I778 HydrophobicContact CD1-CD1 3.93Å; I602-I778 HydrophobicContact CD1-CG1 4.21Å; I602-I778 HydrophobicContact CD1-CG2 3.32Å; F619-I778 HydrophobicContact CE1-CG1 4.28Å; L739-I778 HydrophobicContact CB-CB 4.14Å; L739-I778 HydrophobicContact CD2-CB 4.27Å; L739-I778 HydrophobicContact CD2-CG2 4.3Å; L739-I778 HydrophobicContact CG-CB 4.24Å; L739-I778 PolarHBondContact O-N 2.9Å; I741-I778 HydrophobicContact CD1-CG1 3.97Å; I741-I778 HydrophobicContact CG1-CG1 4.33Å; I778-L780 HydrophobicContact CG2-CD1 4.45Å; I778-L780 HydrophobicContact CG2-CG 4.3Å |
| 779 | Q | 69.1 | Low | 69.1 | Low | 161 Ų | 161 | 72.2 Ų | 72.2 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | trans | -100.3 | 134 | -178.9 | -69.9 | -178.3 | -21.7 | 0 | 0 | 112 | ||||
| 780 | L | 64.9 | Low | 68.5 | Low | 16 Ų | 16 | 78.8 Ų | 78.8 | 8% | 0.084 | 43% | 0.43 | C | S | . | . | trans | -145.4 | 107.9 | -178 | -60.1 | 169.6 | 0 | 0 | 0 | 108.8 | Y606 F611 L734 L739 I778 | Y606-L780 WeakPolarHBondContact O-CD2 3.34Å; F611-L780 HydrophobicContact CE1-CB 4.36Å; F611-L780 HydrophobicContact CE1-CD1 4.02Å; F611-L780 HydrophobicContact CE1-CD2 4.37Å; F611-L780 HydrophobicContact CE1-CG 4.46Å; F611-L780 HydrophobicContact CZ-CD1 3.91Å; L734-L780 HydrophobicContact CD1-CB 4.06Å; L734-L780 HydrophobicContact CD1-CD1 3.81Å; L739-L780 HydrophobicContact CD2-CD1 4.24Å; I778-L780 HydrophobicContact CG2-CD1 4.45Å; I778-L780 HydrophobicContact CG2-CG 4.3Å | ||
| 781 | A | 54.2 | Low | 68 | Low | 44 Ų | 44 | 79.7 Ų | 79.7 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | trans | 89.3 | 162.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | L729 | L729-A781 HydrophobicContact CD1-CB 4.48Å; L729-A781 HydrophobicContact CD2-CB 4.35Å | ||
| 782 | Q | 49.7 | Very low | 67.7 | Low | 176 Ų | 176 | 79.3 Ų | 79.3 | 82% | 0.822 | 44% | 0.44 | S | S | * | . | trans | -140.4 | 153.6 | -177.7 | -74.6 | -175.2 | -20.3 | 0 | 0 | 113 | ||||
| 783 | P | 50.9 | Low | 67.9 | Low | 64 Ų | 64 | 77.8 Ų | 77.8 | 42% | 0.416 | 43% | 0.43 | S | S | . | . | trans | -108.2 | 172.9 | -172.8 | 40.3 | -36 | 0 | 0 | 0 | 118.5 | Y928 | P783-Y928 HydrophobicContact CG-CD1 3.87Å; P783-Y928 HydrophobicContact CG-CE1 4.38Å | ||
| 784 | V | 51.2 | Low | 68 | Low | 128 Ų | 128 | 75.2 Ų | 75.2 | 78% | 0.776 | 42% | 0.418 | S | S | * | . | trans | -132.9 | 146.5 | -172.6 | 180 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 785 | C | 56 | Low | 68 | Low | 35 Ų | 35 | 75.1 Ų | 75.1 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | trans | -93.1 | 141.8 | 173.9 | -79.2 | 0 | 0 | 0 | 0 | 113.4 | C791 W930 | C785-C791 HydrophobicContact CB-CB 4.29Å; C785-C791 WeakPolarHBondContact CB-SG 3.49Å; C785-C791 WeakPolarHBondContact SG-CB 3.32Å; C785-C791 CovalentContact SG-SG 2.06Å; C785-C791 PolarHBondContact SG-SG 3.48Å; C785-W930 VanDerWaalsContact SG-CH2 3.5Å | ||
| 786 | I | 51.8 | Low | 68 | Low | 145 Ų | 145 | 73.6 Ų | 73.6 | 74% | 0.744 | 41% | 0.407 | S | S | * | . | trans | -144.1 | 142.4 | 176.6 | -62.6 | 179.8 | 0 | 0 | 0 | 108 | ||||
| 787 | P | 52.8 | Low | 68 | Low | 126 Ų | 126 | 71 Ų | 71 | 82% | 0.818 | 40% | 0.395 | S | S | * | . | S | Bend | cis | -96.3 | -5.5 | 5.9 | 38.3 | -36.3 | 0 | 0 | 0 | 115.3 | ||
| 788 | A | 57.5 | Low | 67.9 | Low | 38 Ų | 38 | 70 Ų | 70 | 31% | 0.314 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -82.2 | 140.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E790 T851 | A788-E790 VanDerWaalsContact CB-O 3.32Å; A788-E790 WeakPolarHBondContact CB-O 3.34Å; A788-E790 PolarHBondContact O-N 2.94Å; A788-T851 HydrophobicContact CB-CG2 4.21Å |
| 789 | N | 59.3 | Low | 67.8 | Low | 169 Ų | 169 | 74.8 Ų | 74.8 | 90% | 0.904 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -63.6 | -21.2 | 175 | -65.9 | -2.8 | 0 | 0 | 0 | 112.7 | ||
| 790 | E | 66.6 | Low | 68.4 | Low | 154 Ų | 154 | 68.5 Ų | 68.5 | 72% | 0.72 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -131.4 | 140.8 | 178.8 | -64.5 | -179.9 | -178.6 | 0 | 0 | 109.9 | A788 | A788-E790 VanDerWaalsContact CB-O 3.32Å; A788-E790 WeakPolarHBondContact CB-O 3.34Å; A788-E790 PolarHBondContact O-N 2.94Å |
| 791 | C | 70.1 | Confident | 69.3 | Low | 36 Ų | 36 | 69.8 Ų | 69.8 | 24% | 0.243 | 40% | 0.396 | C | S | . | . | trans | -93.6 | 125.7 | -178.9 | -15.7 | 0 | 0 | 0 | 0 | 110.3 | C785 T988 N989 | C785-C791 HydrophobicContact CB-CB 4.29Å; C785-C791 WeakPolarHBondContact CB-SG 3.49Å; C785-C791 WeakPolarHBondContact SG-CB 3.32Å; C785-C791 CovalentContact SG-SG 2.06Å; C785-C791 PolarHBondContact SG-SG 3.48Å; C791-T988 HydrophobicContact CB-CG2 3.82Å; C791-T988 WeakPolarHBondContact O-CB 3.47Å; C791-N989 PolarHBondContact O-N 3.39Å | ||
| 792 | S | 80.3 | Confident | 70.8 | Confident | 28 Ų | 28 | 69 Ų | 69 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146.5 | -179.5 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | T851 N989 | S792-T851 PolarHBondContact N-OG1 3.39Å; S792-T851 CarbonylContact O-C 3.5Å; S792-T851 PolarHBondContact O-N 2.81Å; S792-T851 PolarHBondContact O-OG1 2.85Å; S792-N989 WeakPolarHBondContact CA-O 3.48Å; S792-N989 WeakPolarHBondContact CB-O 3.47Å |
| 793 | S | 82.6 | Confident | 72.3 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 170.9 | -174.2 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | S853 T988 N989 D990 | S793-S853 WeakPolarHBondContact CB-OG 3.36Å; S793-S853 PolarHBondContact OG-OG 2.85Å; S793-T988 VanDerWaalsContact CB-OG1 3.3Å; S793-T988 WeakPolarHBondContact CB-OG1 3.45Å; S793-T988 PolarHBondContact OG-O 3.18Å; S793-T988 PolarHBondContact OG-OG1 3.4Å; S793-N989 PolarHBondContact N-O 3.39Å; S793-D990 WeakPolarHBondContact O-CA 3.41Å |
| 794 | D | 86.7 | Confident | 73.7 | Confident | 25 Ų | 25 | 60.4 Ų | 60.4 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | trans | -150.1 | 108.5 | 168.9 | 178.7 | -6.2 | 0 | 0 | 0 | 106 | N847 L848 | D794-N847 PolarHBondContact N-OD1 2.74Å; D794-N847 CarbonylContact O-C 3.6Å; D794-N847 WeakPolarHBondContact O-CA 3.2Å; D794-N847 PolarHBondContact O-OD1 2.78Å; D794-L848 HydrophobicContact CB-CB 4.25Å; D794-L848 PolarHBondContact O-N 3.36Å | ||
| 795 | L | 87.3 | Confident | 74.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.9 | -170.3 | -67.5 | 168 | 0 | 0 | 0 | 110.3 | L845 I846 N847 L856 V984 N995 N996 | L795-L845 HydrophobicContact CB-CD1 4.36Å; L795-L845 HydrophobicContact CD2-CD1 4.4Å; L795-I846 WeakPolarHBondContact CA-O 3.19Å; L795-N847 HydrophobicContact CD2-CB 3.93Å; L795-L856 HydrophobicContact CD1-CD1 4.15Å; L795-L856 HydrophobicContact CD1-CD2 3.9Å; L795-L856 HydrophobicContact CD1-CG 4.02Å; L795-L856 HydrophobicContact CD2-CD2 4.28Å; L795-V984 HydrophobicContact CB-CG1 4.1Å; L795-V984 HydrophobicContact CD1-CG2 3.85Å; L795-N995 WeakPolarHBondContact O-CB 3.31Å; L795-N996 WeakPolarHBondContact CB-OD1 3.28Å; L795-N996 PolarHBondContact O-OD1 2.8Å |
| 796 | S | 85.4 | Confident | 75.1 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 152 | 178.9 | 53.5 | 0 | 0 | 0 | 0 | 113 | L845 I846 L848 | S796-L845 WeakPolarHBondContact O-CA 3.06Å; S796-I846 PolarHBondContact N-O 2.99Å; S796-I846 PolarHBondContact O-N 3.2Å; S796-I846 VanDerWaalsContact OG-CG2 3.22Å; S796-I846 WeakPolarHBondContact OG-CG2 3.21Å; S796-L848 WeakPolarHBondContact OG-CD1 3.4Å |
| 797 | F | 86.1 | Confident | 75.5 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 145 | 174.7 | -64.1 | -64.4 | 0 | 0 | 0 | 111.7 | I800 L843 K844 L845 I858 I982 V984 E998 | F797-I800 HydrophobicContact CB-CD1 4.36Å; F797-L843 HydrophobicContact CD1-CD1 3.56Å; F797-L843 HydrophobicContact CE1-CD1 3.7Å; F797-K844 CarbonylContact C-O 3.56Å; F797-K844 VanDerWaalsContact CA-O 3.26Å; F797-K844 WeakPolarHBondContact CA-O 3.48Å; F797-L845 HydrophobicContact CD1-CB 4.44Å; F797-L845 HydrophobicContact CD1-CD1 4.1Å; F797-L845 HydrophobicContact CE1-CB 4.47Å; F797-L845 HydrophobicContact CE1-CD1 3.9Å; F797-I858 HydrophobicContact CZ-CG2 4.3Å; F797-I982 HydrophobicContact CE1-CD1 4.05Å; F797-I982 HydrophobicContact CE1-CG1 4.39Å; F797-I982 HydrophobicContact CE2-CG1 4.44Å; F797-I982 HydrophobicContact CE2-CG2 4.25Å; F797-I982 HydrophobicContact CZ-CD1 4.05Å; F797-I982 HydrophobicContact CZ-CG1 3.88Å; F797-I982 HydrophobicContact CZ-CG2 4.39Å; F797-V984 HydrophobicContact CE2-CB 4.4Å; F797-V984 HydrophobicContact CE2-CG1 4.01Å; F797-V984 HydrophobicContact CZ-CB 3.91Å; F797-V984 HydrophobicContact CZ-CG1 3.94Å; F797-E998 HydrophobicContact CB-CG 4.11Å; F797-E998 HydrophobicContact CD2-CB 4.16Å; F797-E998 HydrophobicContact CD2-CG 3.92Å; F797-E998 HydrophobicContact CG-CG 4.4Å |
| 798 | M | 82.4 | Confident | 75.7 | Confident | 82 Ų | 82 | 48.7 Ų | 48.7 | 40% | 0.404 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 159.8 | 179.5 | -66.1 | -176.4 | 176.1 | 0 | 0 | 111.7 | I800 K844 I846 | M798-I800 PolarHBondContact O-N 3.39Å; M798-K844 HydrophobicContact CB-CB 4.32Å; M798-K844 PolarHBondContact N-O 2.98Å; M798-K844 PolarHBondContact O-N 3.38Å; M798-I846 HydrophobicContact CE-CG2 3.92Å; M798-I846 HydrophobicContact SD-CG2 4.06Å |
| 799 | N | 78.8 | Confident | 75.2 | Confident | 111 Ų | 111 | 49.7 Ų | 49.7 | 59% | 0.594 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.3 | 46.9 | 174.3 | -63.4 | 32.7 | 0 | 0 | 0 | 114.6 | K844 | N799-K844 HydrophobicContact CB-CD 4.05Å; N799-K844 HydrophobicContact CB-CG 4.43Å; N799-K844 PolarHBondContact ND2-NZ 2.86Å; N799-K844 VanDerWaalsContact ND2-NZ 3.15Å |
| 800 | I | 81.2 | Confident | 74.6 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 129.3 | 178.7 | -56.3 | 176.4 | 0 | 0 | 0 | 110.1 | F797 M798 Q842 L843 E998 I1000 | F797-I800 HydrophobicContact CB-CD1 4.36Å; M798-I800 PolarHBondContact O-N 3.39Å; I800-Q842 CarbonylContact C-O 3.57Å; I800-Q842 VanDerWaalsContact CA-O 3.3Å; I800-Q842 WeakPolarHBondContact CA-O 3.25Å; I800-L843 HydrophobicContact CG1-CB 4.01Å; I800-E998 HydrophobicContact CD1-CB 3.98Å; I800-E998 HydrophobicContact CD1-CG 3.55Å; I800-E998 WeakPolarHBondContact CD1-OE1 3.42Å; I800-I1000 HydrophobicContact CG2-CD1 3.54Å; I800-I1000 HydrophobicContact CG2-CG1 4.34Å |
| 801 | S | 84.4 | Confident | 73.4 | Confident | 44 Ų | 44 | 42.7 Ų | 42.7 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 140.1 | 176 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | I841 Q842 | S801-I841 CarbonylContact O-C 3.52Å; S801-I841 VanDerWaalsContact O-CA 3.24Å; S801-I841 WeakPolarHBondContact O-CA 3.39Å; S801-Q842 PolarHBondContact N-O 2.91Å; S801-Q842 PolarHBondContact O-N 3.15Å |
| 802 | W | 85.4 | Confident | 72 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 11% | 0.106 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 103.2 | 178.8 | -174.4 | -13.2 | 0 | 0 | 0 | 110.7 | K827 Q839 V840 I841 F862 I945 F980 I1000 Y1002 | W802-K827 HydrophobicContact CB-CD 4.25Å; W802-K827 HydrophobicContact CD2-CB 3.96Å; W802-K827 HydrophobicContact CD2-CD 4.09Å; W802-K827 HydrophobicContact CD2-CG 3.66Å; W802-K827 HydrophobicContact CE3-CB 3.84Å; W802-K827 HydrophobicContact CE3-CG 4.06Å; W802-K827 HydrophobicContact CG-CB 4.43Å; W802-K827 HydrophobicContact CG-CD 3.8Å; W802-K827 HydrophobicContact CG-CG 3.95Å; W802-K827 HydrophobicContact CZ2-CG 4.21Å; W802-K827 HydrophobicContact CZ3-CB 4.19Å; W802-K827 HydrophobicContact CZ3-CG 4.48Å; W802-K827 PolarHBondContact O-NZ 3.33Å; W802-Q839 VanDerWaalsContact NE1-CB 3.28Å; W802-V840 WeakPolarHBondContact CA-O 3.37Å; W802-I841 HydrophobicContact CB-CG1 4.24Å; W802-I841 HydrophobicContact CD2-CD1 3.89Å; W802-I841 HydrophobicContact CD2-CG1 3.85Å; W802-I841 HydrophobicContact CE3-CD1 3.96Å; W802-I841 HydrophobicContact CE3-CG1 4.33Å; W802-I841 HydrophobicContact CG-CD1 4.37Å; W802-I841 HydrophobicContact CG-CG1 3.79Å; W802-I841 HydrophobicContact CH2-CD1 4.48Å; W802-I841 HydrophobicContact CZ2-CD1 4.4Å; W802-I841 HydrophobicContact CZ3-CD1 4.26Å; W802-F862 HydrophobicContact CH2-CE2 4.49Å; W802-F862 AromaticContact CH2-CZ 3.9Å; W802-F862 HydrophobicContact CH2-CZ 3.9Å; W802-F862 HydrophobicContact CZ2-CZ 4.16Å; W802-I945 HydrophobicContact CZ2-CD1 4.24Å; W802-F980 HydrophobicContact CH2-CB 4.2Å; W802-F980 HydrophobicContact CZ3-CB 3.84Å; W802-I1000 HydrophobicContact CE3-CB 4.04Å; W802-I1000 HydrophobicContact CE3-CD1 4.25Å; W802-I1000 HydrophobicContact CE3-CG2 3.74Å; W802-I1000 HydrophobicContact CZ3-CB 4.14Å; W802-I1000 HydrophobicContact CZ3-CG2 4.16Å; W802-Y1002 AromaticContact CH2-CD1 3.9Å; W802-Y1002 HydrophobicContact CH2-CD1 3.9Å; W802-Y1002 HydrophobicContact CH2-CG 4.12Å; W802-Y1002 HydrophobicContact CZ3-CD1 4.46Å |
| 803 | S | 82.8 | Confident | 69.8 | Low | 24 Ų | 24 | 53 Ų | 53 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 151.9 | -174.5 | 69.7 | 0 | 0 | 0 | 0 | 112.8 | S807 Q839 V840 | S803-S807 WeakPolarHBondContact CB-OG 3.47Å; S803-Q839 VanDerWaalsContact C-OE1 3.32Å; S803-Q839 WeakPolarHBondContact O-CA 3Å; S803-Q839 PolarHBondContact O-OE1 3.17Å; S803-V840 PolarHBondContact N-O 3.05Å; S803-V840 PolarHBondContact O-N 2.92Å |
| 804 | P | 78.7 | Confident | 67.4 | Low | 34 Ų | 34 | 62.9 Ų | 62.9 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 142.9 | 172.2 | 29.5 | -33.7 | 0 | 0 | 0 | 110.1 | H806 S807 Q838 | P804-H806 PolarHBondContact O-N 2.03Å; P804-S807 PolarHBondContact O-N 2.75Å; P804-S807 PolarHBondContact O-OG 3.34Å; P804-Q838 WeakPolarHBondContact CA-O 3.32Å |
| 805 | I | 72.8 | Confident | 64.7 | Low | 17 Ų | 17 | 70.8 Ų | 70.8 | 9% | 0.087 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -32.1 | -173.5 | -67.1 | -172.7 | 0 | 0 | 0 | 113 | F14 S807 L808 M809 Q838 V840 Y942 | F14-I805 HydrophobicContact CE1-CD1 4.5Å; F14-I805 HydrophobicContact CZ-CD1 3.89Å; I805-S807 VanDerWaalsContact C-N 3.33Å; I805-S807 PolarHBondContact O-N 3.28Å; I805-L808 PolarHBondContact O-N 3.34Å; I805-M809 HydrophobicContact CG2-CE 4.01Å; I805-Q838 HydrophobicContact CB-CB 4.41Å; I805-Q838 HydrophobicContact CD1-CB 3.86Å; I805-Q838 HydrophobicContact CG1-CB 4.1Å; I805-Q838 PolarHBondContact N-O 3.33Å; I805-V840 HydrophobicContact CD1-CG2 4.07Å; I805-V840 HydrophobicContact CG1-CB 4.47Å; I805-V840 HydrophobicContact CG1-CG2 3.69Å; I805-Y942 HydrophobicContact CD1-CD1 3.7Å; I805-Y942 HydrophobicContact CD1-CE1 4.17Å |
| 806 | H | 65.1 | Low | 61.9 | Low | 66 Ų | 66 | 78.3 Ų | 78.3 | 31% | 0.306 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -32.4 | 179.4 | -164.6 | -52.3 | 0 | 0 | 0 | 113.6 | Y7 P804 L808 M809 | Y7-H806 PolarHBondContact OH-CD2 3.01Å; Y7-H806 VanDerWaalsContact OH-CD2 3.29Å; Y7-H806 PolarHBondContact OH-NE2 3.49Å; P804-H806 PolarHBondContact O-N 2.03Å; H806-L808 VanDerWaalsContact C-N 3.3Å; H806-L808 PolarHBondContact O-N 3.1Å; H806-M809 PolarHBondContact O-N 3.19Å; H806-M809 VanDerWaalsContact O-N 3.13Å |
| 807 | S | 60.6 | Low | 59.2 | Low | 39 Ų | 39 | 83 Ų | 83 | 27% | 0.273 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.4 | -32 | -178.8 | 57 | 0 | 0 | 0 | 0 | 112.3 | S803 P804 I805 M809 T810 T811 | S803-S807 WeakPolarHBondContact CB-OG 3.47Å; P804-S807 PolarHBondContact O-N 2.75Å; P804-S807 PolarHBondContact O-OG 3.34Å; I805-S807 VanDerWaalsContact C-N 3.33Å; I805-S807 PolarHBondContact O-N 3.28Å; S807-M809 PolarHBondContact O-N 3.14Å; S807-T810 PolarHBondContact O-N 3.46Å; S807-T810 PolarHBondContact O-OG1 2.96Å; S807-T811 WeakPolarHBondContact O-CG2 3.22Å; S807-T811 PolarHBondContact O-N 2.85Å; S807-T811 PolarHBondContact O-OG1 2.77Å |
| 808 | L | 56.9 | Low | 56.4 | Low | 66 Ų | 66 | 91 Ų | 91 | 35% | 0.346 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.8 | -15.1 | 173.8 | -78.5 | 147.9 | 0 | 0 | 0 | 113.7 | I805 H806 V840 | I805-L808 PolarHBondContact O-N 3.34Å; H806-L808 VanDerWaalsContact C-N 3.3Å; H806-L808 PolarHBondContact O-N 3.1Å; L808-V840 HydrophobicContact CD1-CB 4Å; L808-V840 HydrophobicContact CD1-CG1 3.95Å |
| 809 | M | 45.3 | Very low | 53.9 | Low | 59 Ų | 59 | 91.8 Ų | 91.8 | 29% | 0.291 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -87.6 | -29.8 | 173.7 | -53.3 | -167.5 | -151.3 | 0 | 0 | 112.6 | R10 I805 H806 S807 | R10-M809 PolarHBondContact NH1-SD 3.04Å; I805-M809 HydrophobicContact CG2-CE 4.01Å; H806-M809 PolarHBondContact O-N 3.19Å; H806-M809 VanDerWaalsContact O-N 3.13Å; S807-M809 PolarHBondContact O-N 3.14Å |
| 810 | T | 46.9 | Very low | 51.4 | Low | 82 Ų | 82 | 92.3 Ų | 92.3 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -86.7 | -14.4 | -174.6 | 42.6 | 0 | 0 | 0 | 0 | 113.9 | S807 Q812 | S807-T810 PolarHBondContact O-N 3.46Å; S807-T810 PolarHBondContact O-OG1 2.96Å; T810-Q812 PolarHBondContact O-N 2.93Å |
| 811 | T | 42.1 | Very low | 49 | Very low | 94 Ų | 94 | 95.6 Ų | 95.6 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -86.3 | 8.1 | -174.3 | 45.4 | 0 | 0 | 0 | 0 | 115.5 | S807 S813 | S807-T811 WeakPolarHBondContact O-CG2 3.22Å; S807-T811 PolarHBondContact O-N 2.85Å; S807-T811 PolarHBondContact O-OG1 2.77Å; T811-S813 PolarHBondContact O-N 3.38Å |
| 812 | Q | 40.8 | Very low | 46.6 | Very low | 184 Ų | 184 | 99.4 Ų | 99.4 | 86% | 0.86 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -76 | 0.1 | 174 | -75.1 | -169.3 | -32 | 0 | 0 | 114.6 | T810 | T810-Q812 PolarHBondContact O-N 2.93Š|
| 813 | S | 34.4 | Very low | 44.3 | Very low | 97 Ų | 97 | 106 Ų | 106 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -115 | -4.1 | -174.8 | 60.6 | 0 | 0 | 0 | 0 | 116.7 | T811 | T811-S813 PolarHBondContact O-N 3.38Š|
| 814 | Y | 32 | Very low | 42.6 | Very low | 211 Ų | 211 | 109.4 Ų | 109.4 | 83% | 0.827 | 59% | 0.589 | S | S | * | * | trans | -133.5 | 104.8 | 174.8 | -100 | -97.2 | 0 | 0 | 0 | 111.3 | ||||
| 815 | K | 30.2 | Very low | 41.7 | Very low | 190 Ų | 190 | 113 Ų | 113 | 83% | 0.826 | 60% | 0.602 | S | S | * | * | trans | -78.2 | 156 | 156.7 | -82.7 | -176.8 | 172.8 | -178.9 | 0 | 108.8 | ||||
| 816 | N | 28.8 | Very low | 41.5 | Very low | 158 Ų | 158 | 115 Ų | 115 | 85% | 0.845 | 61% | 0.612 | S | S | * | * | trans | 78.9 | 77.3 | 172.5 | -53 | -2.1 | 0 | 0 | 0 | 116.4 | ||||
| 817 | S | 28.7 | Very low | 42.4 | Very low | 110 Ų | 110 | 113.1 Ų | 113.1 | 77% | 0.769 | 60% | 0.603 | S | S | * | * | trans | -152.6 | 76.2 | 142.2 | 66.3 | 0 | 0 | 0 | 0 | 109.6 | T819 | S817-T819 PolarHBondContact O-N 3.23Š| ||
| 818 | L | 25.9 | Very low | 43.4 | Very low | 185 Ų | 185 | 115.4 Ų | 115.4 | 97% | 0.969 | 61% | 0.611 | S | S | * | * | trans | -88.9 | 90 | 168.9 | -97.3 | 154 | 0 | 0 | 0 | 107.8 | ||||
| 819 | T | 29.6 | Very low | 44.7 | Very low | 100 Ų | 100 | 112.3 Ų | 112.3 | 61% | 0.613 | 60% | 0.595 | S | S | * | * | trans | -142 | 118.1 | 175.5 | 48.8 | 0 | 0 | 0 | 0 | 109.9 | S817 | S817-T819 PolarHBondContact O-N 3.23Š| ||
| 820 | E | 28 | Very low | 46.6 | Very low | 121 Ų | 121 | 114.2 Ų | 114.2 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | trans | 46.5 | 92.8 | 152.9 | -64.2 | 175 | -179 | 0 | 0 | 117.8 | N822 C1492 | E820-N822 PolarHBondContact O-N 3.1Å; E820-C1492 PolarHBondContact OE1-N 2.67Å | ||
| 821 | V | 30.6 | Very low | 48.4 | Very low | 98 Ų | 98 | 111 Ų | 111 | 59% | 0.594 | 58% | 0.58 | S | S | * | * | trans | -89.5 | 96.8 | 164.8 | 162.3 | 0 | 0 | 0 | 0 | 108.8 | F825 | V821-F825 HydrophobicContact CB-CZ 4.37Å; V821-F825 HydrophobicContact CG1-CE2 3.34Å; V821-F825 HydrophobicContact CG1-CZ 3.51Å; V821-F825 HydrophobicContact CG2-CZ 4.26Å | ||
| 822 | N | 32.2 | Very low | 50 | Low | 125 Ų | 125 | 106.6 Ų | 106.6 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | trans | -73.5 | 138.7 | 173.5 | -88.1 | -33.6 | 0 | 0 | 0 | 111.8 | E820 S824 | E820-N822 PolarHBondContact O-N 3.1Å; N822-S824 VanDerWaalsContact C-N 3.27Å; N822-S824 PolarHBondContact O-N 2.94Å | ||
| 823 | N | 37.3 | Very low | 51.9 | Low | 165 Ų | 165 | 99.9 Ų | 99.9 | 88% | 0.882 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -75.6 | 43.3 | -163.8 | -73.5 | -28.9 | 0 | 0 | 0 | 116.1 | ||
| 824 | S | 46.9 | Very low | 53.8 | Low | 96 Ų | 96 | 97.2 Ų | 97.2 | 67% | 0.671 | 50% | 0.503 | S | S | * | . | trans | -145.1 | 59.5 | -180 | 58.9 | 0 | 0 | 0 | 0 | 114.3 | N822 I826 | N822-S824 VanDerWaalsContact C-N 3.27Å; N822-S824 PolarHBondContact O-N 2.94Å; S824-I826 PolarHBondContact O-N 2.86Å | ||
| 825 | F | 60.6 | Low | 56 | Low | 110 Ų | 110 | 90.7 Ų | 90.7 | 48% | 0.482 | 48% | 0.482 | S | S | . | . | trans | -74.7 | 95.8 | 178.1 | -71.1 | -65.9 | 0 | 0 | 0 | 113.8 | V821 I1000 | V821-F825 HydrophobicContact CB-CZ 4.37Å; V821-F825 HydrophobicContact CG1-CE2 3.34Å; V821-F825 HydrophobicContact CG1-CZ 3.51Å; V821-F825 HydrophobicContact CG2-CZ 4.26Å; F825-I1000 VanDerWaalsContact O-CG2 3.31Å; F825-I1000 WeakPolarHBondContact O-CG2 3.42Å | ||
| 826 | I | 68.8 | Low | 58.4 | Low | 59 Ų | 59 | 82.5 Ų | 82.5 | 30% | 0.303 | 45% | 0.447 | S | S | . | . | trans | -90.7 | 115.7 | 162.7 | -51 | -179.2 | 0 | 0 | 0 | 108.9 | S824 I828 P1001 R1003 | S824-I826 PolarHBondContact O-N 2.86Å; I826-I828 PolarHBondContact O-N 2.88Å; I826-P1001 HydrophobicContact CB-CG 4.45Å; I826-P1001 HydrophobicContact CG1-CG 3.97Å; I826-P1001 HydrophobicContact CG2-CG 4.35Å; I826-R1003 HydrophobicContact CG2-CG 3.72Å | ||
| 827 | K | 83.1 | Confident | 60.9 | Low | 26 Ų | 26 | 76.7 Ų | 76.7 | 11% | 0.113 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.5 | -176.6 | 176.5 | 65.3 | 175.9 | -170.2 | 0 | 111.3 | W802 L829 P1001 Y1002 R1003 | W802-K827 HydrophobicContact CB-CD 4.25Å; W802-K827 HydrophobicContact CD2-CB 3.96Å; W802-K827 HydrophobicContact CD2-CD 4.09Å; W802-K827 HydrophobicContact CD2-CG 3.66Å; W802-K827 HydrophobicContact CE3-CB 3.84Å; W802-K827 HydrophobicContact CE3-CG 4.06Å; W802-K827 HydrophobicContact CG-CB 4.43Å; W802-K827 HydrophobicContact CG-CD 3.8Å; W802-K827 HydrophobicContact CG-CG 3.95Å; W802-K827 HydrophobicContact CZ2-CG 4.21Å; W802-K827 HydrophobicContact CZ3-CB 4.19Å; W802-K827 HydrophobicContact CZ3-CG 4.48Å; W802-K827 PolarHBondContact O-NZ 3.33Å; K827-L829 HydrophobicContact CD-CD2 4.47Å; K827-L829 HydrophobicContact CG-CD2 4.05Å; K827-L829 HydrophobicContact CG-CG 4.26Å; K827-P1001 PolarHBondContact N-O 2.87Å; K827-Y1002 CarbonylContact O-C 3.59Å; K827-Y1002 WeakPolarHBondContact O-CA 3.37Å; K827-Y1002 WeakPolarHBondContact O-CB 3.34Å; K827-R1003 PolarHBondContact O-N 2.85Å |
| 828 | I | 82.9 | Confident | 63.6 | Low | 88 Ų | 88 | 74.1 Ų | 74.1 | 45% | 0.451 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.8 | 172.2 | -56 | 174.5 | 0 | 0 | 0 | 109.8 | I826 L1005 | I826-I828 PolarHBondContact O-N 2.88Å; I828-L1005 HydrophobicContact CG2-CB 3.71Å; I828-L1005 HydrophobicContact CG2-CD2 4.18Å |
| 829 | L | 84.1 | Confident | 66.5 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126.6 | 177.9 | -59.9 | 169.8 | 0 | 0 | 0 | 110.3 | K827 Q839 I945 Y1002 R1003 I1004 L1005 | K827-L829 HydrophobicContact CD-CD2 4.47Å; K827-L829 HydrophobicContact CG-CD2 4.05Å; K827-L829 HydrophobicContact CG-CG 4.26Å; L829-Q839 HydrophobicContact CD2-CG 4.16Å; L829-I945 HydrophobicContact CD1-CD1 3.4Å; L829-I945 VanDerWaalsContact CD1-CD1 3.4Å; L829-I945 HydrophobicContact CD2-CD1 3.89Å; L829-I945 HydrophobicContact CG-CD1 4.31Å; L829-Y1002 HydrophobicContact CD1-CD2 3.62Å; L829-Y1002 HydrophobicContact CD1-CE2 4.19Å; L829-Y1002 HydrophobicContact CD1-CG 4.33Å; L829-R1003 PolarHBondContact N-O 3.19Å; L829-I1004 CarbonylContact O-C 3.6Å; L829-I1004 WeakPolarHBondContact O-CA 3.22Å; L829-L1005 PolarHBondContact O-N 2.83Å |
| 830 | K | 84.8 | Confident | 69.2 | Low | 100 Ų | 100 | 60.7 Ų | 60.7 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 122.9 | 179 | -58.6 | 166.3 | -172.8 | 160.9 | 0 | 111.5 | H833 E836 L1005 | K830-H833 HydrophobicContact CB-CB 4.04Å; K830-E836 HydrophobicContact CB-CG 3.98Å; K830-L1005 WeakPolarHBondContact CA-O 3.37Å; K830-L1005 HydrophobicContact CG-CD2 4.17Å |
| 831 | Y | 84.1 | Confident | 72.1 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 143.1 | 171.8 | -172.2 | -94.5 | 0 | 0 | 0 | 111 | H833 I879 G947 L1005 F1006 I1061 P1279 I1281 I1282 | Y831-H833 PolarHBondContact O-N 3.15Å; Y831-I879 HydrophobicContact CD2-CD1 4.47Å; Y831-G947 WeakPolarHBondContact CE2-O 3.42Å; Y831-L1005 PolarHBondContact N-O 2.91Å; Y831-F1006 AromaticContact CD1-CD2 3.94Å; Y831-F1006 HydrophobicContact CD1-CD2 3.94Å; Y831-F1006 HydrophobicContact CD1-CE2 4.35Å; Y831-I1061 HydrophobicContact CD1-CD1 4.48Å; Y831-I1061 HydrophobicContact CD1-CG1 4.44Å; Y831-P1279 HydrophobicContact CE1-CB 4.14Å; Y831-P1279 HydrophobicContact CE1-CG 3.91Å; Y831-I1281 HydrophobicContact CE2-CG2 3.56Å; Y831-I1281 WeakPolarHBondContact OH-CG2 3.41Å; Y831-I1282 HydrophobicContact CD1-CD1 4.45Å; Y831-I1282 HydrophobicContact CD1-CG1 4.18Å; Y831-I1282 HydrophobicContact CD2-CD1 3.69Å; Y831-I1282 HydrophobicContact CD2-CG1 4.08Å; Y831-I1282 HydrophobicContact CE1-CG1 4.26Å; Y831-I1282 HydrophobicContact CE2-CD1 4.15Å; Y831-I1282 HydrophobicContact CE2-CG1 4.16Å; Y831-I1282 HydrophobicContact CG-CD1 3.86Å; Y831-I1282 HydrophobicContact CG-CG1 4.08Å |
| 832 | G | 76.2 | Confident | 74.8 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -17.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | P834 L948 L949 W1060 | G832-P834 WeakPolarHBondContact O-CD 3.39Å; G832-L948 WeakPolarHBondContact CA-O 3.42Å; G832-L948 PolarHBondContact N-O 3.28Å; G832-L949 WeakPolarHBondContact O-CD2 3.24Å; G832-W1060 WeakPolarHBondContact O-CB 3.35Å |
| 833 | H | 79.9 | Confident | 77.5 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 19% | 0.194 | 24% | 0.239 | C | C | . | . | trans | -86.7 | 116.9 | -173.4 | -161.8 | -60.5 | 0 | 0 | 0 | 111.5 | K830 Y831 N835 E836 W1060 | K830-H833 HydrophobicContact CB-CB 4.04Å; Y831-H833 PolarHBondContact O-N 3.15Å; H833-N835 VanDerWaalsContact C-N 3.34Å; H833-N835 PolarHBondContact ND1-N 3.06Å; H833-N835 PolarHBondContact O-N 3.27Å; H833-E836 HydrophobicContact CB-CG 3.95Å; H833-E836 WeakPolarHBondContact O-CB 3.26Å; H833-E836 PolarHBondContact O-N 3.12Å; H833-W1060 AromaticContact CD2-CD1 3.45Å; H833-W1060 VanDerWaalsContact CD2-CD1 3.45Å; H833-W1060 AromaticContact CD2-NE1 3.43Å; H833-W1060 PolarHBondContact CD2-NE1 2.82Å; H833-W1060 AromaticContact NE2-CD1 3.9Å; H833-W1060 AromaticContact NE2-NE1 3.35Å; H833-W1060 PolarHBondContact NE2-NE1 2.81Å | ||
| 834 | P | 75.3 | Confident | 80 | Confident | 42 Ų | 42 | 41.5 Ų | 41.5 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -61.5 | -38.8 | -172.2 | 22.2 | -32.8 | 0 | 0 | 0 | 113.2 | G832 E836 Q837 W1060 | G832-P834 WeakPolarHBondContact O-CD 3.39Å; P834-E836 PolarHBondContact O-N 3.01Å; P834-E836 VanDerWaalsContact O-N 3.08Å; P834-Q837 WeakPolarHBondContact O-CB 3.44Å; P834-Q837 PolarHBondContact O-N 3.02Å; P834-W1060 HydrophobicContact CG-CD2 4.28Å; P834-W1060 HydrophobicContact CG-CE3 3.84Å; P834-W1060 HydrophobicContact CG-CH2 4.23Å; P834-W1060 HydrophobicContact CG-CZ3 3.82Å |
| 835 | N | 77.6 | Confident | 81.9 | Confident | 73 Ų | 73 | 36.9 Ų | 36.9 | 39% | 0.39 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -61.8 | -16.5 | 177.9 | -59.3 | 1.3 | 0 | 0 | 0 | 114.5 | H833 | H833-N835 VanDerWaalsContact C-N 3.34Å; H833-N835 PolarHBondContact ND1-N 3.06Å; H833-N835 PolarHBondContact O-N 3.27Å |
| 836 | E | 81.2 | Confident | 83.2 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 9% | 0.089 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -83.3 | -13.7 | 177.5 | -62 | -75.5 | -168.7 | 0 | 0 | 112.6 | K830 H833 P834 Q838 Q839 L948 | K830-E836 HydrophobicContact CB-CG 3.98Å; H833-E836 HydrophobicContact CB-CG 3.95Å; H833-E836 WeakPolarHBondContact O-CB 3.26Å; H833-E836 PolarHBondContact O-N 3.12Å; P834-E836 PolarHBondContact O-N 3.01Å; P834-E836 VanDerWaalsContact O-N 3.08Å; E836-Q838 VanDerWaalsContact C-N 3.27Å; E836-Q838 PolarHBondContact O-N 2.82Å; E836-Q839 PolarHBondContact O-NE2 2.88Å; E836-Q839 PolarHBondContact OE2-NE2 2.87Å; E836-L948 HydrophobicContact CB-CD1 4.12Å |
| 837 | Q | 81.4 | Confident | 84.1 | Confident | 36 Ų | 36 | 29.7 Ų | 29.7 | 17% | 0.168 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -67.2 | -29.2 | 175.4 | -62.5 | -167.8 | -64.5 | 0 | 0 | 112.3 | P834 F944 I945 L948 | P834-Q837 WeakPolarHBondContact O-CB 3.44Å; P834-Q837 PolarHBondContact O-N 3.02Å; Q837-F944 HydrophobicContact CB-CD2 4.21Å; Q837-F944 HydrophobicContact CB-CE2 3.75Å; Q837-F944 HydrophobicContact CB-CZ 4.35Å; Q837-F944 CarbonylContact O-C 3.53Å; Q837-F944 WeakPolarHBondContact O-CA 3.3Å; Q837-I945 PolarHBondContact O-N 2.88Å; Q837-L948 HydrophobicContact CG-CB 4.38Å |
| 838 | Q | 84.4 | Confident | 84.1 | Confident | 56 Ų | 56 | 32.1 Ų | 32.1 | 26% | 0.262 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 107.4 | -178.8 | -74.3 | -170.5 | -5.5 | 0 | 0 | 111.2 | P804 I805 E836 F944 | P804-Q838 WeakPolarHBondContact CA-O 3.32Å; I805-Q838 HydrophobicContact CB-CB 4.41Å; I805-Q838 HydrophobicContact CD1-CB 3.86Å; I805-Q838 HydrophobicContact CG1-CB 4.1Å; I805-Q838 PolarHBondContact N-O 3.33Å; E836-Q838 VanDerWaalsContact C-N 3.27Å; E836-Q838 PolarHBondContact O-N 2.82Å; Q838-F944 HydrophobicContact CG-CD2 4.36Å |
| 839 | Q | 87.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 157.3 | 179.7 | -55.2 | -74.2 | -32.8 | 0 | 0 | 111.1 | W802 S803 L829 E836 V943 I945 | W802-Q839 VanDerWaalsContact NE1-CB 3.28Å; S803-Q839 VanDerWaalsContact C-OE1 3.32Å; S803-Q839 WeakPolarHBondContact O-CA 3Å; S803-Q839 PolarHBondContact O-OE1 3.17Å; L829-Q839 HydrophobicContact CD2-CG 4.16Å; E836-Q839 PolarHBondContact O-NE2 2.88Å; E836-Q839 PolarHBondContact OE2-NE2 2.87Å; Q839-V943 HydrophobicContact CB-CB 4.39Å; Q839-V943 PolarHBondContact N-O 2.94Å; Q839-V943 PolarHBondContact O-N 2.6Å; Q839-I945 HydrophobicContact CG-CD1 3.9Å; Q839-I945 HydrophobicContact CG-CG1 4.49Å |
| 840 | V | 87.5 | Confident | 83.6 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 132.9 | 169.3 | 159.3 | 0 | 0 | 0 | 0 | 109.1 | W802 S803 I805 L808 Q842 D940 I941 Y942 | W802-V840 WeakPolarHBondContact CA-O 3.37Å; S803-V840 PolarHBondContact N-O 3.05Å; S803-V840 PolarHBondContact O-N 2.92Å; I805-V840 HydrophobicContact CD1-CG2 4.07Å; I805-V840 HydrophobicContact CG1-CB 4.47Å; I805-V840 HydrophobicContact CG1-CG2 3.69Å; L808-V840 HydrophobicContact CD1-CB 4Å; L808-V840 HydrophobicContact CD1-CG1 3.95Å; V840-Q842 HydrophobicContact CG1-CG 3.52Å; V840-D940 HydrophobicContact CG1-CB 4.49Å; V840-I941 CarbonylContact C-O 3.55Å; V840-I941 WeakPolarHBondContact CA-O 3.31Å; V840-Y942 HydrophobicContact CG2-CD1 3.3Å; V840-Y942 HydrophobicContact CG2-CD2 4.27Å; V840-Y942 HydrophobicContact CG2-CE1 3.42Å; V840-Y942 VanDerWaalsContact CG2-CE1 3.42Å; V840-Y942 HydrophobicContact CG2-CE2 4.35Å; V840-Y942 HydrophobicContact CG2-CG 3.74Å |
| 841 | I | 88.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 111.4 | 171.6 | -52.8 | 177.4 | 0 | 0 | 0 | 106.8 | S801 W802 L843 I941 V943 F980 I1000 | S801-I841 CarbonylContact O-C 3.52Å; S801-I841 VanDerWaalsContact O-CA 3.24Å; S801-I841 WeakPolarHBondContact O-CA 3.39Å; W802-I841 HydrophobicContact CB-CG1 4.24Å; W802-I841 HydrophobicContact CD2-CD1 3.89Å; W802-I841 HydrophobicContact CD2-CG1 3.85Å; W802-I841 HydrophobicContact CE3-CD1 3.96Å; W802-I841 HydrophobicContact CE3-CG1 4.33Å; W802-I841 HydrophobicContact CG-CD1 4.37Å; W802-I841 HydrophobicContact CG-CG1 3.79Å; W802-I841 HydrophobicContact CH2-CD1 4.48Å; W802-I841 HydrophobicContact CZ2-CD1 4.4Å; W802-I841 HydrophobicContact CZ3-CD1 4.26Å; I841-L843 HydrophobicContact CG2-CD2 4.38Å; I841-I941 HydrophobicContact CB-CB 4.33Å; I841-I941 PolarHBondContact N-O 3.13Å; I841-I941 PolarHBondContact O-N 3.3Å; I841-V943 HydrophobicContact CD1-CG2 3.98Å; I841-V943 HydrophobicContact CG1-CG2 4.33Å; I841-F980 HydrophobicContact CD1-CB 4.24Å; I841-F980 HydrophobicContact CD1-CD1 3.53Å; I841-F980 HydrophobicContact CD1-CD2 4.04Å; I841-F980 HydrophobicContact CD1-CE1 3.78Å; I841-F980 HydrophobicContact CD1-CE2 4.26Å; I841-F980 HydrophobicContact CD1-CG 3.66Å; I841-F980 HydrophobicContact CD1-CZ 4.14Å; I841-F980 HydrophobicContact CG2-CE1 4.38Å; I841-I1000 HydrophobicContact CG2-CD1 3.93Å |
| 842 | Q | 87.4 | Confident | 83.1 | Confident | 43 Ų | 43 | 32.2 Ų | 32.2 | 20% | 0.201 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.3 | 176.9 | -46.4 | -169.6 | -92.8 | 0 | 0 | 109.3 | I800 S801 V840 D940 | I800-Q842 CarbonylContact C-O 3.57Å; I800-Q842 VanDerWaalsContact CA-O 3.3Å; I800-Q842 WeakPolarHBondContact CA-O 3.25Å; S801-Q842 PolarHBondContact N-O 2.91Å; S801-Q842 PolarHBondContact O-N 3.15Å; V840-Q842 HydrophobicContact CG1-CG 3.52Å; Q842-D940 WeakPolarHBondContact CG-OD1 3.41Å; Q842-D940 PolarHBondContact NE2-OD1 2.7Å |
| 843 | L | 88.8 | Confident | 83.1 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 159 | 176.8 | 59.2 | 106.6 | 0 | 0 | 0 | 110.4 | F797 I800 I841 Q938 I939 I941 I982 | F797-L843 HydrophobicContact CD1-CD1 3.56Å; F797-L843 HydrophobicContact CE1-CD1 3.7Å; I800-L843 HydrophobicContact CG1-CB 4.01Å; I841-L843 HydrophobicContact CG2-CD2 4.38Å; L843-Q938 WeakPolarHBondContact O-CA 3.29Å; L843-I939 HydrophobicContact CD1-CB 3.95Å; L843-I939 HydrophobicContact CD1-CD1 4.1Å; L843-I939 HydrophobicContact CD1-CG1 4.35Å; L843-I939 HydrophobicContact CG-CB 4.11Å; L843-I939 PolarHBondContact N-O 3.42Å; L843-I939 PolarHBondContact O-N 3.06Å; L843-I941 HydrophobicContact CD2-CD1 3.92Å; L843-I982 HydrophobicContact CD1-CD1 3.9Å; L843-I982 HydrophobicContact CD2-CD1 3.64Å; L843-I982 HydrophobicContact CG-CD1 4.45Å |
| 844 | K | 88.3 | Confident | 83 | Confident | 60 Ų | 60 | 30.7 Ų | 30.7 | 26% | 0.261 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 133.5 | 175.4 | -65.8 | 174.1 | 179.9 | 172.7 | 0 | 109.4 | F797 M798 N799 L891 I936 I937 | F797-K844 CarbonylContact C-O 3.56Å; F797-K844 VanDerWaalsContact CA-O 3.26Å; F797-K844 WeakPolarHBondContact CA-O 3.48Å; M798-K844 HydrophobicContact CB-CB 4.32Å; M798-K844 PolarHBondContact N-O 2.98Å; M798-K844 PolarHBondContact O-N 3.38Å; N799-K844 HydrophobicContact CB-CD 4.05Å; N799-K844 HydrophobicContact CB-CG 4.43Å; N799-K844 PolarHBondContact ND2-NZ 2.86Å; N799-K844 VanDerWaalsContact ND2-NZ 3.15Å; K844-L891 HydrophobicContact CD-CD1 4.39Å; K844-I936 HydrophobicContact CB-CG2 3.94Å; K844-I936 HydrophobicContact CD-CG2 4.04Å; K844-I936 HydrophobicContact CG-CG2 4.15Å; K844-I937 CarbonylContact C-O 3.42Å; K844-I937 WeakPolarHBondContact CA-O 3.34Å |
| 845 | L | 88.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.4 | 170.7 | 177.7 | 68.8 | 0 | 0 | 0 | 108.8 | L795 S796 F797 L856 I858 I931 I937 I939 V984 | L795-L845 HydrophobicContact CB-CD1 4.36Å; L795-L845 HydrophobicContact CD2-CD1 4.4Å; S796-L845 WeakPolarHBondContact O-CA 3.06Å; F797-L845 HydrophobicContact CD1-CB 4.44Å; F797-L845 HydrophobicContact CD1-CD1 4.1Å; F797-L845 HydrophobicContact CE1-CB 4.47Å; F797-L845 HydrophobicContact CE1-CD1 3.9Å; L845-L856 HydrophobicContact CD2-CD2 3.69Å; L845-I858 HydrophobicContact CD2-CD1 3.89Å; L845-I931 HydrophobicContact CD2-CD1 4.28Å; L845-I937 HydrophobicContact CB-CB 4.49Å; L845-I937 PolarHBondContact N-O 3.47Å; L845-I937 PolarHBondContact O-N 3.26Å; L845-I939 HydrophobicContact CB-CD1 4.42Å; L845-V984 HydrophobicContact CD1-CG1 4.36Å; L845-V984 HydrophobicContact CD1-CG2 4.48Å |
| 846 | I | 87.9 | Confident | 83.2 | Confident | 17 Ų | 17 | 25.8 Ų | 25.8 | 9% | 0.087 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.5 | 176.5 | -172.1 | 173.9 | 0 | 0 | 0 | 110.7 | L795 S796 M798 L848 E935 I936 | L795-I846 WeakPolarHBondContact CA-O 3.19Å; S796-I846 PolarHBondContact N-O 2.99Å; S796-I846 PolarHBondContact O-N 3.2Å; S796-I846 VanDerWaalsContact OG-CG2 3.22Å; S796-I846 WeakPolarHBondContact OG-CG2 3.21Å; M798-I846 HydrophobicContact CE-CG2 3.92Å; M798-I846 HydrophobicContact SD-CG2 4.06Å; I846-L848 HydrophobicContact CD1-CD2 3.86Å; I846-L848 HydrophobicContact CG1-CD2 4.18Å; I846-L848 HydrophobicContact CG2-CD2 4.29Å; I846-L848 HydrophobicContact CG2-CG 4.23Å; I846-E935 WeakPolarHBondContact CA-O 3.19Å; I846-I936 HydrophobicContact CD1-CD1 4.44Å; I846-I936 HydrophobicContact CD1-CG1 3.95Å; I846-I936 HydrophobicContact CG1-CG1 4.19Å |
| 847 | N | 86.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 105.5 | 168.3 | 179.9 | 22 | 0 | 0 | 0 | 109.3 | D794 L795 G849 T851 I931 P933 N934 | D794-N847 PolarHBondContact N-OD1 2.74Å; D794-N847 CarbonylContact O-C 3.6Å; D794-N847 WeakPolarHBondContact O-CA 3.2Å; D794-N847 PolarHBondContact O-OD1 2.78Å; L795-N847 HydrophobicContact CD2-CB 3.93Å; N847-G849 VanDerWaalsContact C-N 3.29Å; N847-G849 WeakPolarHBondContact OD1-CA 3.01Å; N847-G849 PolarHBondContact OD1-N 2.8Å; N847-T851 PolarHBondContact ND2-O 2.74Å; N847-I931 HydrophobicContact CB-CB 4.37Å; N847-I931 HydrophobicContact CB-CG2 3.65Å; N847-I931 PolarHBondContact ND2-O 2.83Å; N847-P933 WeakPolarHBondContact O-CA 3.49Å; N847-N934 PolarHBondContact O-N 3.43Å |
| 848 | L | 83.8 | Confident | 83.8 | Confident | 77 Ų | 77 | 24.7 Ų | 24.7 | 40% | 0.403 | 14% | 0.135 | S | C | . | . | trans | -84.3 | -4.9 | 173.5 | -61 | 175.8 | 0 | 0 | 0 | 112.3 | D794 S796 I846 | D794-L848 HydrophobicContact CB-CB 4.25Å; D794-L848 PolarHBondContact O-N 3.36Å; S796-L848 WeakPolarHBondContact OG-CD1 3.4Å; I846-L848 HydrophobicContact CD1-CD2 3.86Å; I846-L848 HydrophobicContact CG1-CD2 4.18Å; I846-L848 HydrophobicContact CG2-CD2 4.29Å; I846-L848 HydrophobicContact CG2-CG 4.23Å | ||
| 849 | G | 78.7 | Confident | 84 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -70.8 | 160.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N847 T851 P933 | N847-G849 VanDerWaalsContact C-N 3.29Å; N847-G849 WeakPolarHBondContact OD1-CA 3.01Å; N847-G849 PolarHBondContact OD1-N 2.8Å; G849-T851 VanDerWaalsContact C-N 3.27Å; G849-T851 PolarHBondContact O-N 2.87Å; G849-P933 WeakPolarHBondContact O-CB 3.23Å; G849-P933 WeakPolarHBondContact O-CG 3.05Å |
| 850 | P | 78.9 | Confident | 84.2 | Confident | 105 Ų | 105 | 23.6 Ų | 23.6 | 68% | 0.682 | 13% | 0.131 | S | C | * | . | S | Bend | trans | -74.3 | -14.4 | -174.8 | 30.4 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 851 | T | 80.5 | Confident | 84.1 | Confident | 29 Ų | 29 | 28.3 Ų | 28.3 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -134.2 | -178.5 | -179.1 | 83 | 0 | 0 | 0 | 0 | 112.3 | A788 S792 N847 G849 | A788-T851 HydrophobicContact CB-CG2 4.21Å; S792-T851 PolarHBondContact N-OG1 3.39Å; S792-T851 CarbonylContact O-C 3.5Å; S792-T851 PolarHBondContact O-N 2.81Å; S792-T851 PolarHBondContact O-OG1 2.85Å; N847-T851 PolarHBondContact ND2-O 2.74Å; G849-T851 VanDerWaalsContact C-N 3.27Å; G849-T851 PolarHBondContact O-N 2.87Å |
| 852 | K | 75.9 | Confident | 83.9 | Confident | 67 Ų | 67 | 28.5 Ų | 28.5 | 29% | 0.291 | 15% | 0.15 | S | C | . | . | trans | -71.4 | 142 | 180 | -54.8 | -172.4 | -161.8 | -169.8 | 0 | 111.2 | W930 I931 Y932 | K852-W930 HydrophobicContact CB-CB 4.06Å; K852-W930 HydrophobicContact CB-CD2 4.02Å; K852-W930 HydrophobicContact CB-CE3 3.43Å; K852-W930 VanDerWaalsContact CB-CE3 3.43Å; K852-W930 HydrophobicContact CB-CG 4.3Å; K852-W930 HydrophobicContact CB-CZ3 4.22Å; K852-W930 HydrophobicContact CD-CB 3.91Å; K852-W930 HydrophobicContact CD-CD2 3.99Å; K852-W930 HydrophobicContact CD-CE3 4.2Å; K852-W930 HydrophobicContact CD-CG 3.87Å; K852-W930 HydrophobicContact CG-CB 4.43Å; K852-W930 HydrophobicContact CG-CE3 4.47Å; K852-I931 WeakPolarHBondContact CA-O 3.38Å; K852-Y932 HydrophobicContact CD-CD1 4.26Å; K852-Y932 HydrophobicContact CD-CE1 3.73Å; K852-Y932 HydrophobicContact CG-CD1 4.15Å; K852-Y932 HydrophobicContact CG-CE1 4.13Å; K852-Y932 PolarHBondContact NZ-OH 2.92Å | ||
| 853 | S | 77.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -105.4 | 133.7 | 172.6 | -158.4 | 0 | 0 | 0 | 0 | 111.5 | S793 L856 W930 I931 S986 T988 | S793-S853 WeakPolarHBondContact CB-OG 3.36Å; S793-S853 PolarHBondContact OG-OG 2.85Å; S853-L856 VanDerWaalsContact OG-CD1 3.26Å; S853-L856 WeakPolarHBondContact OG-CD1 3.44Å; S853-W930 CarbonylContact O-C 3.58Å; S853-W930 VanDerWaalsContact O-CA 3.29Å; S853-W930 WeakPolarHBondContact O-CA 3.36Å; S853-I931 PolarHBondContact N-O 3.35Å; S853-I931 PolarHBondContact O-N 2.83Å; S853-S986 PolarHBondContact OG-OG 2.81Å; S853-T988 WeakPolarHBondContact CA-OG1 3.34Å; S853-T988 PolarHBondContact OG-OG1 2.68Å |
| 854 | T | 77 | Confident | 82.8 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 8% | 0.08 | 15% | 0.151 | C | C | . | . | trans | -129.1 | 168.3 | 174.4 | -170.5 | 0 | 0 | 0 | 0 | 110.1 | L856 P927 L929 W930 S986 E987 T988 | T854-L856 PolarHBondContact O-N 3.25Å; T854-P927 PolarHBondContact OG1-O 2.81Å; T854-P927 VanDerWaalsContact OG1-O 3.12Å; T854-L929 PolarHBondContact OG1-O 2.86Å; T854-W930 HydrophobicContact CG2-CE3 4.1Å; T854-W930 HydrophobicContact CG2-CH2 3.74Å; T854-W930 HydrophobicContact CG2-CZ3 3.46Å; T854-W930 VanDerWaalsContact CG2-CZ3 3.46Å; T854-S986 PolarHBondContact O-OG 3.5Å; T854-E987 PolarHBondContact O-N 2.92Å; T854-T988 HydrophobicContact CG2-CG2 4.08Å | ||
| 855 | G | 74.1 | Confident | 81.8 | Confident | 11 Ų | 11 | 27 Ų | 27 | 11% | 0.113 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 65.6 | 27.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S857 | G855-S857 PolarHBondContact O-N 2.94Š|
| 856 | L | 83 | Confident | 80.4 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -63.7 | 133.9 | 178.5 | -102.9 | 96.4 | 0 | 0 | 0 | 111.5 | L795 L845 S853 T854 S924 L925 I931 V984 K985 | L795-L856 HydrophobicContact CD1-CD1 4.15Å; L795-L856 HydrophobicContact CD1-CD2 3.9Å; L795-L856 HydrophobicContact CD1-CG 4.02Å; L795-L856 HydrophobicContact CD2-CD2 4.28Å; L845-L856 HydrophobicContact CD2-CD2 3.69Å; S853-L856 VanDerWaalsContact OG-CD1 3.26Å; S853-L856 WeakPolarHBondContact OG-CD1 3.44Å; T854-L856 PolarHBondContact O-N 3.25Å; L856-S924 CarbonylContact O-C 3.5Å; L856-S924 VanDerWaalsContact O-CA 3.32Å; L856-S924 WeakPolarHBondContact O-CA 3.43Å; L856-L925 HydrophobicContact CB-CB 3.87Å; L856-L925 HydrophobicContact CB-CD2 4.25Å; L856-L925 HydrophobicContact CD1-CD2 4.38Å; L856-L925 PolarHBondContact O-N 2.88Å; L856-I931 HydrophobicContact CD1-CD1 3.58Å; L856-I931 HydrophobicContact CD1-CG1 4.13Å; L856-I931 HydrophobicContact CD2-CD1 3.5Å; L856-I931 VanDerWaalsContact CD2-CD1 3.5Å; L856-I931 HydrophobicContact CG-CD1 4.11Å; L856-V984 HydrophobicContact CD2-CG2 3.7Å; L856-V984 HydrophobicContact CG-CG2 4.39Å; L856-K985 CarbonylContact C-O 3.31Å; L856-K985 WeakPolarHBondContact CA-O 3.43Å | ||
| 857 | S | 86 | Confident | 78.7 | Confident | 33 Ų | 33 | 33.4 Ų | 33.4 | 23% | 0.231 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 117.2 | 170.3 | 44.8 | 0 | 0 | 0 | 0 | 110.3 | G855 I923 K985 | G855-S857 PolarHBondContact O-N 2.94Å; S857-I923 CarbonylContact C-O 3.48Å; S857-I923 WeakPolarHBondContact CA-O 3.17Å; S857-K985 PolarHBondContact N-O 3.33Å; S857-K985 PolarHBondContact O-N 2.81Å |
| 858 | I | 88.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.8 | 176.9 | -44 | 170.3 | 0 | 0 | 0 | 107.7 | F797 L845 W910 L922 I923 I939 I982 Q983 V984 | F797-I858 HydrophobicContact CZ-CG2 4.3Å; L845-I858 HydrophobicContact CD2-CD1 3.89Å; I858-W910 HydrophobicContact CD1-CZ3 4.24Å; I858-L922 WeakPolarHBondContact O-CA 3.5Å; I858-I923 HydrophobicContact CB-CB 4.08Å; I858-I923 HydrophobicContact CB-CD1 4.26Å; I858-I923 HydrophobicContact CD1-CD1 4.4Å; I858-I923 HydrophobicContact CD1-CG2 4.47Å; I858-I923 PolarHBondContact N-O 3.48Å; I858-I923 PolarHBondContact O-N 2.97Å; I858-I939 HydrophobicContact CD1-CD1 3.45Å; I858-I939 VanDerWaalsContact CD1-CD1 3.45Å; I858-I982 HydrophobicContact CG2-CD1 3.86Å; I858-I982 HydrophobicContact CG2-CG1 3.69Å; I858-Q983 CarbonylContact C-O 3.49Å; I858-Q983 VanDerWaalsContact CA-O 3.3Å; I858-Q983 WeakPolarHBondContact CA-O 3.45Å; I858-Q983 WeakPolarHBondContact CG2-O 3.45Å; I858-V984 HydrophobicContact CG1-CB 4.35Å; I858-V984 HydrophobicContact CG1-CG2 4Å |
| 859 | L | 89.7 | Confident | 75.1 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 17% | 0.173 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.6 | 178 | -176.9 | 70.7 | 0 | 0 | 0 | 109.5 | L920 T921 L922 Q983 | L859-L920 HydrophobicContact CD1-CD1 3.92Å; L859-L920 HydrophobicContact CD1-CD2 3.95Å; L859-L920 HydrophobicContact CD1-CG 3.82Å; L859-L920 HydrophobicContact CG-CD1 4.4Å; L859-T921 WeakPolarHBondContact CA-O 3.37Å; L859-L922 HydrophobicContact CD1-CD1 4.46Å; L859-Q983 HydrophobicContact CB-CB 4.49Å; L859-Q983 PolarHBondContact N-O 2.87Å; L859-Q983 PolarHBondContact O-N 2.85Å |
| 860 | T | 89.7 | Confident | 73.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 143.7 | 170.3 | 62.3 | 0 | 0 | 0 | 0 | 110 | I883 L920 T921 I941 F980 E981 I982 | T860-I883 WeakPolarHBondContact OG1-CD1 3.26Å; T860-L920 VanDerWaalsContact O-CA 3.3Å; T860-L920 WeakPolarHBondContact O-CA 3.42Å; T860-L920 WeakPolarHBondContact O-CD1 3.46Å; T860-T921 PolarHBondContact N-O 2.93Å; T860-T921 PolarHBondContact O-N 2.84Å; T860-T921 VanDerWaalsContact O-N 3.08Å; T860-T921 WeakPolarHBondContact OG1-CB 3.18Å; T860-T921 PolarHBondContact OG1-N 2.99Å; T860-T921 PolarHBondContact OG1-O 3.41Å; T860-T921 PolarHBondContact OG1-OG1 2.8Å; T860-I941 HydrophobicContact CG2-CD1 3.84Å; T860-F980 HydrophobicContact CG2-CZ 4.02Å; T860-E981 CarbonylContact C-O 3.44Å; T860-E981 WeakPolarHBondContact CA-O 3.38Å; T860-I982 HydrophobicContact CG2-CB 4.35Å; T860-I982 HydrophobicContact CG2-CD1 3.98Å; T860-I982 HydrophobicContact CG2-CG1 3.86Å |
| 861 | R | 86.6 | Confident | 71.6 | Confident | 101 Ų | 101 | 47.2 Ų | 47.2 | 38% | 0.381 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 134.7 | 175.7 | 179.9 | 177.7 | -74.1 | 132.8 | -7 | 111.4 | H863 L919 L920 E981 | R861-H863 VanDerWaalsContact CD-CE1 3.45Å; R861-H863 WeakPolarHBondContact CD-CE1 3.3Å; R861-H863 WeakPolarHBondContact CD-NE2 3.44Å; R861-L919 CarbonylContact C-O 3.26Å; R861-L919 WeakPolarHBondContact CA-O 3.44Å; R861-L920 HydrophobicContact CB-CD1 4.02Å; R861-L920 HydrophobicContact CG-CD1 4.26Å; R861-E981 HydrophobicContact CB-CB 4.38Å; R861-E981 PolarHBondContact N-O 3.17Å; R861-E981 IonicContact NH1-OE2 3.49Å; R861-E981 PolarHBondContact O-N 3.11Å |
| 862 | F | 83.7 | Confident | 69.8 | Low | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 117.4 | 171.3 | -136.4 | -71.4 | 0 | 0 | 0 | 110.4 | W802 N864 I883 L919 V943 F980 Y1002 | W802-F862 HydrophobicContact CH2-CE2 4.49Å; W802-F862 AromaticContact CH2-CZ 3.9Å; W802-F862 HydrophobicContact CH2-CZ 3.9Å; W802-F862 HydrophobicContact CZ2-CZ 4.16Å; F862-N864 WeakPolarHBondContact CD1-OD1 3.3Å; F862-I883 HydrophobicContact CD2-CG1 4.48Å; F862-L919 PolarHBondContact N-O 3.01Å; F862-V943 HydrophobicContact CD2-CG1 4.33Å; F862-V943 HydrophobicContact CE2-CB 4.44Å; F862-V943 HydrophobicContact CE2-CG1 3.45Å; F862-V943 VanDerWaalsContact CE2-CG1 3.45Å; F862-V943 HydrophobicContact CE2-CG2 4.1Å; F862-V943 HydrophobicContact CZ-CG1 3.94Å; F862-F980 AromaticContact CD2-CD2 3.53Å; F862-F980 HydrophobicContact CD2-CD2 3.53Å; F862-F980 HydrophobicContact CD2-CE2 4.14Å; F862-F980 HydrophobicContact CE2-CB 4.43Å; F862-F980 AromaticContact CE2-CD2 3.72Å; F862-F980 HydrophobicContact CE2-CD2 3.72Å; F862-F980 HydrophobicContact CE2-CE2 4.48Å; F862-F980 HydrophobicContact CE2-CG 4.48Å; F862-F980 HydrophobicContact CG-CD2 4.35Å; F862-Y1002 HydrophobicContact CD1-CE1 4.27Å; F862-Y1002 HydrophobicContact CE1-CD1 4.31Å; F862-Y1002 AromaticContact CE1-CE1 3.45Å; F862-Y1002 HydrophobicContact CE1-CE1 3.45Å; F862-Y1002 VanDerWaalsContact CE1-CE1 3.45Å; F862-Y1002 AromaticContact CE1-CZ 3.72Å; F862-Y1002 HydrophobicContact CZ-CE1 4.18Å |
| 863 | H | 78 | Confident | 68.1 | Low | 40 Ų | 40 | 55.4 Ų | 55.4 | 19% | 0.185 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 99.2 | 171.6 | -62.3 | -92.7 | 0 | 0 | 0 | 108.3 | R861 P978 K979 E981 | R861-H863 VanDerWaalsContact CD-CE1 3.45Å; R861-H863 WeakPolarHBondContact CD-CE1 3.3Å; R861-H863 WeakPolarHBondContact CD-NE2 3.44Å; H863-P978 WeakPolarHBondContact O-CA 3.41Å; H863-K979 HydrophobicContact CB-CG 3.99Å; H863-K979 WeakPolarHBondContact CB-O 3.35Å; H863-K979 PolarHBondContact N-O 2.79Å; H863-K979 PolarHBondContact O-N 2.82Å; H863-K979 VanDerWaalsContact O-N 3.17Å; H863-E981 IonicContact CD2-OE2 3.35Å; H863-E981 IonicContact CE1-OE2 2.76Å; H863-E981 IonicContact NE2-OE1 3.77Å; H863-E981 IonicContact NE2-OE2 3.09Å; H863-E981 PolarHBondContact NE2-OE2 2.85Å |
| 864 | N | 74.9 | Confident | 66.3 | Low | 11 Ų | 11 | 59.9 Ų | 59.9 | 6% | 0.059 | 31% | 0.307 | C | S | . | . | trans | -81.3 | 164.5 | -176.2 | -76.3 | -28.7 | 0 | 0 | 0 | 113.5 | F862 Y866 Q880 G881 L919 | F862-N864 WeakPolarHBondContact CD1-OD1 3.3Å; N864-Y866 HydrophobicContact CB-CE1 4.35Å; N864-Y866 HydrophobicContact CB-CE2 4.03Å; N864-Y866 VanDerWaalsContact O-CD2 3.27Å; N864-Y866 WeakPolarHBondContact O-CD2 3.4Å; N864-Y866 WeakPolarHBondContact O-CE2 3.36Å; N864-Y866 PolarHBondContact O-N 2.89Å; N864-Q880 HydrophobicContact CB-CG 4.26Å; N864-Q880 VanDerWaalsContact CG-CA 3.47Å; N864-Q880 WeakPolarHBondContact ND2-CB 3.24Å; N864-Q880 WeakPolarHBondContact OD1-CA 3.44Å; N864-G881 PolarHBondContact ND2-O 2.98Å; N864-G881 PolarHBondContact OD1-N 3.38Å; N864-G881 PolarHBondContact OD1-O 3.26Å; N864-L919 WeakPolarHBondContact ND2-CD2 3.23Å | ||
| 865 | W | 67.8 | Low | 64.6 | Low | 22 Ų | 22 | 65.4 Ų | 65.4 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | trans | -75.1 | 112.5 | 163.8 | -65.4 | 74.1 | 0 | 0 | 0 | 109.3 | S878 I879 P978 Y1002 I1004 Y1285 F1306 I1307 | W865-S878 WeakPolarHBondContact O-CB 3.48Å; W865-I879 HydrophobicContact CB-CB 4.35Å; W865-I879 HydrophobicContact CG-CB 4.48Å; W865-I879 PolarHBondContact N-O 2.97Å; W865-P978 HydrophobicContact CD2-CB 4.41Å; W865-P978 HydrophobicContact CD2-CG 4.21Å; W865-P978 HydrophobicContact CG-CB 4.19Å; W865-P978 HydrophobicContact CZ2-CG 4.01Å; W865-P978 VanDerWaalsContact NE1-CB 3.34Å; W865-Y1002 AromaticContact CD1-CE2 3.56Å; W865-Y1002 AromaticContact CD1-CZ 3.74Å; W865-Y1002 AromaticContact NE1-CE2 3.38Å; W865-Y1002 AromaticContact NE1-CZ 3.93Å; W865-I1004 HydrophobicContact CD2-CD1 4.17Å; W865-I1004 VanDerWaalsContact CE2-CD1 3.49Å; W865-I1004 HydrophobicContact CH2-CD1 4.11Å; W865-I1004 HydrophobicContact CZ2-CD1 3.46Å; W865-I1004 VanDerWaalsContact CZ2-CD1 3.46Å; W865-I1004 HydrophobicContact CZ2-CG1 4.02Å; W865-Y1285 HydrophobicContact CB-CE1 3.79Å; W865-Y1285 HydrophobicContact CB-CE2 4.05Å; W865-Y1285 VanDerWaalsContact CB-CZ 3.45Å; W865-Y1285 VanDerWaalsContact CB-OH 3.25Å; W865-Y1285 WeakPolarHBondContact CB-OH 3.33Å; W865-Y1285 HydrophobicContact CD2-CD1 4.37Å; W865-Y1285 HydrophobicContact CD2-CD2 4.35Å; W865-Y1285 HydrophobicContact CD2-CE1 4.31Å; W865-Y1285 HydrophobicContact CD2-CE2 4.3Å; W865-Y1285 HydrophobicContact CD2-CG 4.41Å; W865-Y1285 AromaticContact CE3-CD1 3.34Å; W865-Y1285 HydrophobicContact CE3-CD1 3.34Å; W865-Y1285 AromaticContact CE3-CD2 3.83Å; W865-Y1285 HydrophobicContact CE3-CD2 3.83Å; W865-Y1285 AromaticContact CE3-CE1 3.63Å; W865-Y1285 HydrophobicContact CE3-CE1 3.63Å; W865-Y1285 HydrophobicContact CE3-CE2 4.09Å; W865-Y1285 AromaticContact CE3-CG 3.47Å; W865-Y1285 HydrophobicContact CE3-CG 3.47Å; W865-Y1285 VanDerWaalsContact CE3-CG 3.47Å; W865-Y1285 HydrophobicContact CG-CE1 4.46Å; W865-Y1285 HydrophobicContact CG-CE2 4.38Å; W865-Y1285 AromaticContact CZ3-CD1 3.75Å; W865-Y1285 HydrophobicContact CZ3-CD1 3.75Å; W865-Y1285 HydrophobicContact CZ3-CD2 4.09Å; W865-Y1285 HydrophobicContact CZ3-CE1 4.47Å; W865-Y1285 AromaticContact CZ3-CG 3.55Å; W865-Y1285 HydrophobicContact CZ3-CG 3.55Å; W865-Y1285 PolarHBondContact O-OH 2.93Å; W865-Y1285 VanDerWaalsContact O-OH 3.07Å; W865-F1306 HydrophobicContact CH2-CB 3.2Å; W865-F1306 HydrophobicContact CH2-CG 4.34Å; W865-F1306 HydrophobicContact CZ2-CB 3.65Å; W865-F1306 WeakPolarHBondContact CZ2-O 3.33Å; W865-F1306 HydrophobicContact CZ3-CB 4Å; W865-I1307 HydrophobicContact CH2-CD1 3.97Å; W865-I1307 HydrophobicContact CH2-CG1 3.83Å; W865-I1307 HydrophobicContact CZ2-CG1 4.46Å; W865-I1307 HydrophobicContact CZ3-CD1 4.32Å | ||
| 866 | Y | 59.6 | Low | 63.4 | Low | 103 Ų | 103 | 67.7 Ų | 67.7 | 40% | 0.404 | 35% | 0.348 | S | S | . | . | trans | -98.8 | 133 | 174.2 | -62.6 | -79.4 | 0 | 0 | 0 | 110.6 | N864 L919 | N864-Y866 HydrophobicContact CB-CE1 4.35Å; N864-Y866 HydrophobicContact CB-CE2 4.03Å; N864-Y866 VanDerWaalsContact O-CD2 3.27Å; N864-Y866 WeakPolarHBondContact O-CD2 3.4Å; N864-Y866 WeakPolarHBondContact O-CE2 3.36Å; N864-Y866 PolarHBondContact O-N 2.89Å; Y866-L919 WeakPolarHBondContact OH-CD1 3.13Å | ||
| 867 | L | 52.1 | Low | 61.9 | Low | 50 Ų | 50 | 70.1 Ų | 70.1 | 26% | 0.262 | 36% | 0.361 | S | S | . | . | trans | -95.8 | 108.2 | 162.7 | -81.4 | 157.7 | 0 | 0 | 0 | 106.6 | D877 I1281 A1284 Y1285 I1288 | L867-D877 WeakPolarHBondContact CD1-O 3.4Å; L867-I1281 HydrophobicContact CD1-CG1 4.3Å; L867-A1284 HydrophobicContact CD2-CB 3.61Å; L867-Y1285 HydrophobicContact CD1-CE1 4.2Å; L867-Y1285 HydrophobicContact CD2-CD1 4.4Å; L867-Y1285 HydrophobicContact CD2-CE1 4.07Å; L867-Y1285 HydrophobicContact CG-CD1 4.49Å; L867-Y1285 HydrophobicContact CG-CE1 3.7Å; L867-I1288 HydrophobicContact CD2-CD1 4.25Å | ||
| 868 | V | 48.1 | Very low | 60.8 | Low | 71 Ų | 71 | 69 Ų | 69 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | trans | -110.2 | 85.9 | 179.3 | -169.8 | 0 | 0 | 0 | 0 | 109.3 | M972 | V868-M972 HydrophobicContact CB-SD 3.97Å; V868-M972 HydrophobicContact CG1-CE 3.66Å; V868-M972 HydrophobicContact CG1-SD 3.61Å; V868-M972 HydrophobicContact CG2-SD 4.21Å | ||
| 869 | D | 45.2 | Very low | 60.1 | Low | 83 Ų | 83 | 69 Ų | 69 | 44% | 0.444 | 35% | 0.353 | S | S | . | . | trans | -140.1 | 110 | 170.2 | -89.1 | -49 | 0 | 0 | 0 | 110.3 | ||||
| 870 | N | 41.3 | Very low | 59.4 | Low | 146 Ų | 146 | 67.6 Ų | 67.6 | 78% | 0.781 | 35% | 0.345 | S | S | * | . | trans | 63.4 | 143.8 | 169.7 | -62.7 | -43.1 | 0 | 0 | 0 | 119.2 | N872 L873 | N870-N872 PolarHBondContact O-N 3.08Å; N870-L873 PolarHBondContact O-N 2.9Å | ||
| 871 | E | 42.9 | Very low | 59 | Low | 173 Ų | 173 | 67.6 Ų | 67.6 | 81% | 0.808 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 5.3 | -164.5 | -53.3 | -171.3 | 131.6 | 0 | 0 | 117.3 | ||
| 872 | N | 44.2 | Very low | 58.8 | Low | 157 Ų | 157 | 65.6 Ų | 65.6 | 84% | 0.84 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | -1.8 | -171.7 | -72.5 | -36.1 | 0 | 0 | 0 | 114.5 | N870 | N870-N872 PolarHBondContact O-N 3.08Š|
| 873 | L | 39.9 | Very low | 58.9 | Low | 112 Ų | 112 | 65.6 Ų | 65.6 | 59% | 0.586 | 34% | 0.34 | S | S | * | . | trans | -84.8 | 124.6 | 170.9 | -122.1 | 78.3 | 0 | 0 | 0 | 110.4 | N870 D877 | N870-L873 PolarHBondContact O-N 2.9Å; L873-D877 HydrophobicContact CD2-CB 4.28Å | ||
| 874 | T | 40 | Very low | 59 | Low | 93 Ų | 93 | 66 Ų | 66 | 57% | 0.571 | 35% | 0.345 | S | S | * | . | trans | -70.8 | 152.2 | 175.3 | 42.3 | 0 | 0 | 0 | 0 | 111.2 | T876 | T874-T876 PolarHBondContact O-N 2.84Å; T874-T876 PolarHBondContact O-OG1 3.43Å; T874-T876 PolarHBondContact OG1-OG1 2.79Å | ||
| 875 | L | 41 | Very low | 59.4 | Low | 129 Ų | 129 | 67.7 Ų | 67.7 | 68% | 0.675 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -2.6 | -177.3 | -134.1 | 91.1 | 0 | 0 | 0 | 115.3 | S878 Q880 | L875-S878 PolarHBondContact O-OG 2.84Å; L875-Q880 PolarHBondContact O-NE2 2.8Å |
| 876 | T | 47.8 | Very low | 60.2 | Low | 59 Ų | 59 | 67.2 Ų | 67.2 | 36% | 0.362 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -23.8 | -173 | 43.6 | 0 | 0 | 0 | 0 | 114.6 | T874 S878 | T874-T876 PolarHBondContact O-N 2.84Å; T874-T876 PolarHBondContact O-OG1 3.43Å; T874-T876 PolarHBondContact OG1-OG1 2.79Å; T876-S878 PolarHBondContact O-N 2.79Å |
| 877 | D | 53.1 | Low | 61.2 | Low | 52 Ų | 52 | 63.2 Ų | 63.2 | 28% | 0.278 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -99.6 | 19.9 | -159.3 | -61.5 | 4.9 | 0 | 0 | 0 | 113.1 | L867 L873 I1281 | L867-D877 WeakPolarHBondContact CD1-O 3.4Å; L873-D877 HydrophobicContact CD2-CB 4.28Å; D877-I1281 VanDerWaalsContact O-CD1 3.28Å; D877-I1281 WeakPolarHBondContact O-CD1 3.03Å |
| 878 | S | 63.2 | Low | 62.7 | Low | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -129 | 157.6 | -173.7 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | W865 L875 T876 Q880 | W865-S878 WeakPolarHBondContact O-CB 3.48Å; L875-S878 PolarHBondContact O-OG 2.84Å; T876-S878 PolarHBondContact O-N 2.79Å; S878-Q880 PolarHBondContact O-N 3.47Å; S878-Q880 PolarHBondContact OG-NE2 2.83Å |
| 879 | I | 73.7 | Confident | 64.2 | Low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -84.8 | 103.9 | -177 | -66.7 | 173.9 | 0 | 0 | 0 | 110.1 | Y831 W865 I945 Q946 L948 I1004 I1281 Y1285 | Y831-I879 HydrophobicContact CD2-CD1 4.47Å; W865-I879 HydrophobicContact CB-CB 4.35Å; W865-I879 HydrophobicContact CG-CB 4.48Å; W865-I879 PolarHBondContact N-O 2.97Å; I879-I945 HydrophobicContact CG2-CG2 4Å; I879-Q946 WeakPolarHBondContact CA-O 3.48Å; I879-L948 HydrophobicContact CG2-CD2 4.49Å; I879-I1004 HydrophobicContact CD1-CD1 3.35Å; I879-I1004 HydrophobicContact CD1-CG1 4.31Å; I879-I1004 HydrophobicContact CG1-CD1 4.49Å; I879-I1004 HydrophobicContact CG2-CD1 4.36Å; I879-I1281 HydrophobicContact CD1-CD1 4.16Å; I879-I1281 HydrophobicContact CD1-CG1 4.26Å; I879-I1281 HydrophobicContact CG1-CD1 3.63Å; I879-I1281 HydrophobicContact CG1-CG1 4.18Å; I879-Y1285 HydrophobicContact CB-CE2 4.34Å; I879-Y1285 HydrophobicContact CD1-CD2 4.4Å; I879-Y1285 HydrophobicContact CD1-CE2 3.95Å; I879-Y1285 HydrophobicContact CG1-CE2 4.09Å; I879-Y1285 PolarHBondContact N-OH 3.3Å | ||
| 880 | Q | 75.4 | Confident | 65.4 | Low | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.019 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 115.4 | -170.4 | -66.2 | -179.4 | 8 | 0 | 0 | 112.4 | N864 L875 S878 I945 Q946 | N864-Q880 HydrophobicContact CB-CG 4.26Å; N864-Q880 VanDerWaalsContact CG-CA 3.47Å; N864-Q880 WeakPolarHBondContact ND2-CB 3.24Å; N864-Q880 WeakPolarHBondContact OD1-CA 3.44Å; L875-Q880 PolarHBondContact O-NE2 2.8Å; S878-Q880 PolarHBondContact O-N 3.47Å; S878-Q880 PolarHBondContact OG-NE2 2.83Å; Q880-I945 WeakPolarHBondContact O-CA 3.39Å; Q880-Q946 HydrophobicContact CB-CB 4.42Å; Q880-Q946 PolarHBondContact N-O 3.29Å; Q880-Q946 PolarHBondContact O-N 3.24Å |
| 881 | G | 80 | Confident | 66.6 | Low | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 137.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N864 L919 F944 | N864-G881 PolarHBondContact ND2-O 2.98Å; N864-G881 PolarHBondContact OD1-N 3.38Å; N864-G881 PolarHBondContact OD1-O 3.26Å; G881-L919 VanDerWaalsContact O-CD2 3.23Å; G881-L919 WeakPolarHBondContact O-CD2 3.49Å; G881-F944 CarbonylContact C-O 3.58Å; G881-F944 WeakPolarHBondContact CA-O 3.49Å |
| 882 | K | 83.7 | Confident | 67.2 | Low | 59 Ų | 59 | 56.6 Ų | 56.6 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 133.3 | 174 | -69.9 | 178.1 | 177.1 | 163.4 | 0 | 108.8 | N917 G918 L919 V943 F944 | K882-N917 WeakPolarHBondContact CE-O 3.4Å; K882-G918 CarbonylContact C-O 3.59Å; K882-G918 WeakPolarHBondContact CA-O 3.34Å; K882-L919 HydrophobicContact CG-CD2 4.38Å; K882-V943 CarbonylContact O-C 3.52Å; K882-V943 WeakPolarHBondContact O-CA 3.41Å; K882-F944 PolarHBondContact N-O 3.14Å; K882-F944 PolarHBondContact O-N 3.26Å |
| 883 | I | 84.7 | Confident | 67.7 | Low | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 123.8 | 178.1 | -59.2 | 154.1 | 0 | 0 | 0 | 107.6 | T860 F862 I886 I914 G918 T921 I941 V943 F980 | T860-I883 WeakPolarHBondContact OG1-CD1 3.26Å; F862-I883 HydrophobicContact CD2-CG1 4.48Å; I883-I886 HydrophobicContact CG2-CD1 3.98Å; I883-I886 HydrophobicContact CG2-CG1 3.88Å; I883-I914 HydrophobicContact CG2-CD1 4.46Å; I883-G918 PolarHBondContact N-O 2.9Å; I883-T921 HydrophobicContact CB-CG2 3.82Å; I883-T921 HydrophobicContact CD1-CG2 3.64Å; I883-T921 HydrophobicContact CG1-CG2 4.35Å; I883-T921 HydrophobicContact CG2-CG2 3.7Å; I883-I941 HydrophobicContact CG1-CG2 4.34Å; I883-I941 HydrophobicContact CG2-CG2 3.73Å; I883-V943 HydrophobicContact CG1-CG2 4.45Å; I883-F980 HydrophobicContact CD1-CE2 3.92Å; I883-F980 HydrophobicContact CG1-CE2 4.27Å |
| 884 | T | 81 | Confident | 67.9 | Low | 49 Ų | 49 | 57.3 Ų | 57.3 | 30% | 0.301 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -32.2 | -170.7 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | Y942 F944 | T884-Y942 PolarHBondContact N-O 2.85Å; T884-Y942 PolarHBondContact OG1-O 3.49Å; T884-F944 HydrophobicContact CG2-CB 3.49Å; T884-F944 VanDerWaalsContact CG2-CB 3.49Å |
| 885 | M | 82.4 | Confident | 67.6 | Low | 46 Ų | 46 | 61.4 Ų | 61.4 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 150.2 | 179.2 | -168.6 | -177.4 | -163.1 | 0 | 0 | 108.8 | F17 N887 Y942 | F17-M885 HydrophobicContact CD1-CE 4.22Å; F17-M885 HydrophobicContact CE1-CE 3.67Å; F17-M885 HydrophobicContact CZ-CE 3.96Å; M885-N887 VanDerWaalsContact CE-OD1 3.31Å; M885-N887 WeakPolarHBondContact CE-OD1 3.32Å; M885-Y942 HydrophobicContact CB-CD2 3.97Å; M885-Y942 HydrophobicContact CB-CG 4.03Å; M885-Y942 HydrophobicContact CG-CD2 4.33Å; M885-Y942 WeakPolarHBondContact O-CB 3.26Å; M885-Y942 PolarHBondContact O-N 3.07Å |
| 886 | I | 84.2 | Confident | 67.1 | Low | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 123 | 171.2 | -59.7 | 177.9 | 0 | 0 | 0 | 106.8 | I883 I888 I912 T921 I923 I939 D940 I941 | I883-I886 HydrophobicContact CG2-CD1 3.98Å; I883-I886 HydrophobicContact CG2-CG1 3.88Å; I886-I888 HydrophobicContact CG2-CD1 4.42Å; I886-I888 HydrophobicContact CG2-CG1 4.07Å; I886-I912 HydrophobicContact CB-CD1 4.11Å; I886-I912 HydrophobicContact CB-CG2 4.17Å; I886-I912 HydrophobicContact CD1-CG2 3.98Å; I886-I912 HydrophobicContact CG1-CG2 4.39Å; I886-I912 HydrophobicContact CG2-CD1 4.25Å; I886-T921 HydrophobicContact CD1-CG2 4.09Å; I886-T921 VanDerWaalsContact CD1-OG1 3.28Å; I886-T921 WeakPolarHBondContact CD1-OG1 3.44Å; I886-I923 HydrophobicContact CD1-CD1 3.94Å; I886-I923 HydrophobicContact CD1-CG1 3.97Å; I886-I923 HydrophobicContact CG2-CD1 3.9Å; I886-I939 HydrophobicContact CG2-CG2 3.81Å; I886-D940 WeakPolarHBondContact CA-O 2.96Å; I886-I941 HydrophobicContact CG1-CG1 4.39Å; I886-I941 HydrophobicContact CG1-CG2 4.23Å; I886-I941 HydrophobicContact CG2-CG1 4.35Å |
| 887 | N | 82 | Confident | 66.3 | Low | 19 Ų | 19 | 63.7 Ų | 63.7 | 10% | 0.102 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.6 | 172.8 | -70.2 | -24 | 0 | 0 | 0 | 108.9 | M885 T905 I939 D940 Y942 | M885-N887 VanDerWaalsContact CE-OD1 3.31Å; M885-N887 WeakPolarHBondContact CE-OD1 3.32Å; N887-T905 HydrophobicContact CB-CG2 4.12Å; N887-T905 WeakPolarHBondContact OD1-CG2 3.5Å; N887-I939 CarbonylContact O-C 3.58Å; N887-I939 WeakPolarHBondContact O-CA 3.5Å; N887-D940 HydrophobicContact CB-CB 4.28Å; N887-D940 PolarHBondContact N-O 3.13Å; N887-D940 PolarHBondContact O-N 2.82Å; N887-Y942 HydrophobicContact CB-CE2 4.17Å; N887-Y942 WeakPolarHBondContact ND2-CE2 3.44Å; N887-Y942 PolarHBondContact ND2-OH 2.62Å; N887-Y942 VanDerWaalsContact ND2-OH 3.14Å |
| 888 | I | 82.6 | Confident | 65.1 | Low | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.8 | 178.5 | -54.8 | 173.3 | 0 | 0 | 0 | 107.5 | I886 W910 I912 I923 I937 Q938 I939 | I886-I888 HydrophobicContact CG2-CD1 4.42Å; I886-I888 HydrophobicContact CG2-CG1 4.07Å; I888-W910 HydrophobicContact CB-CG 4.5Å; I888-W910 HydrophobicContact CD1-CB 3.69Å; I888-W910 HydrophobicContact CD1-CD2 3.82Å; I888-W910 HydrophobicContact CD1-CE3 4.23Å; I888-W910 HydrophobicContact CD1-CG 3.59Å; I888-W910 HydrophobicContact CG2-CD2 4.32Å; I888-W910 HydrophobicContact CG2-CG 4.27Å; I888-W910 HydrophobicContact CG2-CZ2 4.36Å; I888-I912 HydrophobicContact CD1-CD1 3.97Å; I888-I912 HydrophobicContact CD1-CG1 4.44Å; I888-I912 HydrophobicContact CG1-CD1 4.48Å; I888-I923 HydrophobicContact CD1-CG2 3.46Å; I888-I923 VanDerWaalsContact CD1-CG2 3.46Å; I888-I937 HydrophobicContact CG2-CG2 3.42Å; I888-I937 VanDerWaalsContact CG2-CG2 3.42Å; I888-Q938 CarbonylContact C-O 3.59Å; I888-Q938 WeakPolarHBondContact CA-O 3.25Å; I888-I939 HydrophobicContact CG1-CG1 4.43Å; I888-I939 HydrophobicContact CG1-CG2 4.37Å; I888-I939 HydrophobicContact CG2-CG1 4.41Å |
| 889 | K | 79.1 | Confident | 63.5 | Low | 90 Ų | 90 | 73.3 Ų | 73.3 | 39% | 0.391 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 125.5 | -176.8 | -63.3 | 167.1 | -175.3 | 150.4 | 0 | 109.6 | I937 Q938 D940 | K889-I937 CarbonylContact O-C 3.54Å; K889-Q938 HydrophobicContact CB-CB 4.39Å; K889-Q938 PolarHBondContact N-O 2.8Å; K889-Q938 PolarHBondContact O-N 3.04Å; K889-D940 IonicContact NZ-OD2 2.9Å; K889-D940 PolarHBondContact NZ-OD2 3.45Å |
| 890 | K | 72 | Confident | 61.2 | Low | 120 Ų | 120 | 80.1 Ų | 80.1 | 52% | 0.522 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.6 | 168.7 | -178.4 | 167.4 | 175 | 148 | 0 | 110.1 | E935 | K890-E935 WeakPolarHBondContact CD-OE1 3.47Å; K890-E935 WeakPolarHBondContact CE-OE1 3.17Å; K890-E935 IonicContact NZ-OE1 3.37Å; K890-E935 PolarHBondContact NZ-OE1 3.08Å; K890-E935 IonicContact NZ-OE2 2.66Å; K890-E935 PolarHBondContact NZ-OE2 3.48Å |
| 891 | L | 66.5 | Low | 59 | Low | 64 Ų | 64 | 87.9 Ų | 87.9 | 34% | 0.335 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 130.2 | 176.6 | -76 | 162.7 | 0 | 0 | 0 | 110.2 | K844 I936 Q938 | K844-L891 HydrophobicContact CD-CD1 4.39Å; L891-I936 HydrophobicContact CB-CB 4.24Å; L891-I936 HydrophobicContact CD1-CB 4.43Å; L891-I936 HydrophobicContact CD1-CG2 3.8Å; L891-I936 PolarHBondContact N-O 2.78Å; L891-Q938 HydrophobicContact CD1-CB 3.98Å; L891-Q938 HydrophobicContact CG-CB 4.4Å |
| 892 | S | 55.8 | Low | 56.6 | Low | 105 Ų | 105 | 93.3 Ų | 93.3 | 73% | 0.734 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 148.2 | 174.4 | -178 | 0 | 0 | 0 | 0 | 111.2 | N894 | S892-N894 PolarHBondContact O-N 3.38Š|
| 893 | K | 52.9 | Low | 54.1 | Low | 145 Ų | 145 | 97.1 Ų | 97.1 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -71.9 | -6 | -178.6 | -84.9 | -177.5 | 176.6 | 170.6 | 0 | 115.1 | P933 N934 | K893-P933 PolarHBondContact NZ-O 2.84Å; K893-P933 VanDerWaalsContact NZ-O 3.16Å; K893-N934 WeakPolarHBondContact CE-O 3.42Å |
| 894 | N | 45.5 | Very low | 51.5 | Low | 139 Ų | 139 | 99.5 Ų | 99.5 | 74% | 0.743 | 54% | 0.542 | S | S | * | . | trans | -117.7 | 128.9 | 178.6 | -71.6 | 4.7 | 0 | 0 | 0 | 111.7 | S892 | S892-N894 PolarHBondContact O-N 3.38Š| ||
| 895 | E | 33.6 | Very low | 49.4 | Very low | 178 Ų | 178 | 100.1 Ų | 100.1 | 83% | 0.832 | 55% | 0.546 | S | S | * | . | trans | -77.6 | 179.4 | 178.6 | -59.9 | -172.7 | 128.6 | 0 | 0 | 113.6 | ||||
| 896 | T | 29.8 | Very low | 47.6 | Very low | 139 Ų | 139 | 100.2 Ų | 100.2 | 85% | 0.853 | 55% | 0.547 | S | S | * | . | trans | 78.2 | 50.6 | 158.8 | 69.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 897 | S | 31.7 | Very low | 45.7 | Very low | 97 Ų | 97 | 103.6 Ų | 103.6 | 68% | 0.678 | 58% | 0.577 | S | S | * | * | trans | -152.6 | 128.4 | 142.7 | 57 | 0 | 0 | 0 | 0 | 113.4 | I899 | S897-I899 PolarHBondContact O-N 3.3Š| ||
| 898 | S | 26.5 | Very low | 44.2 | Very low | 130 Ų | 130 | 107.9 Ų | 107.9 | 91% | 0.909 | 60% | 0.595 | S | S | * | * | trans | -79.2 | 94.1 | 173.9 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 899 | I | 29.6 | Very low | 43.4 | Very low | 133 Ų | 133 | 110 Ų | 110 | 68% | 0.682 | 61% | 0.606 | S | S | * | * | trans | -119.3 | 134.7 | 173.2 | -61.5 | 179.1 | 0 | 0 | 0 | 109.2 | S897 L901 | S897-I899 PolarHBondContact O-N 3.3Å; I899-L901 PolarHBondContact O-N 2.84Å | ||
| 900 | N | 27.2 | Very low | 43.1 | Very low | 144 Ų | 144 | 106.5 Ų | 106.5 | 77% | 0.77 | 59% | 0.59 | S | S | * | * | trans | -65.3 | 88.2 | -174.3 | -69.8 | -42.6 | 0 | 0 | 0 | 112.5 | I902 | N900-I902 VanDerWaalsContact C-N 3.27Å; N900-I902 HydrophobicContact CB-CG1 4.46Å; N900-I902 PolarHBondContact O-N 2.89Å | ||
| 901 | L | 27.6 | Very low | 43.3 | Very low | 166 Ų | 166 | 104 Ų | 104 | 87% | 0.869 | 59% | 0.585 | S | S | * | * | trans | -77.9 | 80.6 | 168.5 | -83.8 | 162.6 | 0 | 0 | 0 | 110.7 | I899 N903 | I899-L901 PolarHBondContact O-N 2.84Å; L901-N903 PolarHBondContact O-N 2.91Å | ||
| 902 | I | 30.3 | Very low | 44 | Very low | 115 Ų | 115 | 103.8 Ų | 103.8 | 59% | 0.59 | 58% | 0.583 | S | S | * | * | trans | -67.3 | 117.8 | 170.3 | -64.4 | 166.5 | 0 | 0 | 0 | 109 | M675 N900 S904 | M675-I902 HydrophobicContact CE-CG2 4.15Å; N900-I902 VanDerWaalsContact C-N 3.27Å; N900-I902 HydrophobicContact CB-CG1 4.46Å; N900-I902 PolarHBondContact O-N 2.89Å; I902-S904 PolarHBondContact O-N 3.23Å; I902-S904 VanDerWaalsContact O-N 3.11Å | ||
| 903 | N | 31.1 | Very low | 45.2 | Very low | 138 Ų | 138 | 103.5 Ų | 103.5 | 74% | 0.738 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 32.8 | 62.3 | 156.6 | -65.2 | 0.4 | 0 | 0 | 0 | 117.7 | L901 | L901-N903 PolarHBondContact O-N 2.91Š|
| 904 | S | 29.4 | Very low | 46.6 | Very low | 55 Ų | 55 | 99.7 Ų | 99.7 | 39% | 0.385 | 56% | 0.559 | S | S | . | * | trans | -118.7 | 86.5 | 164.6 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | V679 I902 | V679-S904 WeakPolarHBondContact CG1-OG 3.3Å; I902-S904 PolarHBondContact O-N 3.23Å; I902-S904 VanDerWaalsContact O-N 3.11Å | ||
| 905 | T | 36.9 | Very low | 48.2 | Very low | 62 Ų | 62 | 97.8 Ų | 97.8 | 38% | 0.38 | 55% | 0.546 | S | S | . | . | trans | -86.8 | 134.5 | 173.7 | 42 | 0 | 0 | 0 | 0 | 110.8 | N887 A907 | N887-T905 HydrophobicContact CB-CG2 4.12Å; N887-T905 WeakPolarHBondContact OD1-CG2 3.5Å; T905-A907 PolarHBondContact O-N 2.95Å | ||
| 906 | D | 45.2 | Very low | 50 | Low | 49 Ų | 49 | 98.3 Ų | 98.3 | 26% | 0.262 | 55% | 0.548 | S | S | . | . | trans | -70.8 | 51.4 | -175.3 | -66.1 | -51.3 | 0 | 0 | 0 | 114.2 | K908 I909 W910 | D906-K908 PolarHBondContact O-N 3.06Å; D906-I909 HydrophobicContact CB-CB 4.15Å; D906-I909 HydrophobicContact CB-CD1 4.17Å; D906-I909 HydrophobicContact CB-CG1 4.36Å; D906-I909 PolarHBondContact O-N 3.06Å; D906-W910 PolarHBondContact O-N 3.48Å | ||
| 907 | A | 44.3 | Very low | 51.9 | Low | 82 Ų | 82 | 94.8 Ų | 94.8 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -7.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T905 | T905-A907 PolarHBondContact O-N 2.95Š|
| 908 | K | 51 | Low | 53.8 | Low | 110 Ų | 110 | 90.6 Ų | 90.6 | 48% | 0.478 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -17 | 170.4 | -75.7 | -173.7 | 175.5 | 173.6 | 0 | 113.9 | E680 D906 | E680-K908 HydrophobicContact CG-CD 4.5Å; E680-K908 WeakPolarHBondContact OE1-CE 3.22Å; E680-K908 IonicContact OE1-NZ 3.14Å; E680-K908 VanDerWaalsContact OE2-CE 3.25Å; E680-K908 WeakPolarHBondContact OE2-CE 3.44Å; E680-K908 IonicContact OE2-NZ 3Å; E680-K908 PolarHBondContact OE2-NZ 3.14Å; D906-K908 PolarHBondContact O-N 3.06Å |
| 909 | I | 66 | Low | 56.3 | Low | 50 Ų | 50 | 85.4 Ų | 85.4 | 26% | 0.256 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -42.2 | -179.3 | -64.5 | -178 | 0 | 0 | 0 | 110.2 | D906 L925 S926 L929 | D906-I909 HydrophobicContact CB-CB 4.15Å; D906-I909 HydrophobicContact CB-CD1 4.17Å; D906-I909 HydrophobicContact CB-CG1 4.36Å; D906-I909 PolarHBondContact O-N 3.06Å; I909-L925 HydrophobicContact CG2-CD1 3.64Å; I909-S926 PolarHBondContact O-N 3.09Å; I909-L929 HydrophobicContact CB-CD1 4.19Å; I909-L929 HydrophobicContact CD1-CD1 4.44Å; I909-L929 HydrophobicContact CG1-CD1 3.86Å; I909-L929 HydrophobicContact CG2-CD1 3.86Å; I909-L929 HydrophobicContact CG2-CD2 3.73Å; I909-L929 HydrophobicContact CG2-CG 4.27Å |
| 910 | W | 72.5 | Confident | 58.8 | Low | 15 Ų | 15 | 81.6 Ų | 81.6 | 6% | 0.057 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.5 | -178.3 | -61.5 | 93.3 | 0 | 0 | 0 | 110.7 | I858 I888 D906 I923 L925 I931 I937 | I858-W910 HydrophobicContact CD1-CZ3 4.24Å; I888-W910 HydrophobicContact CB-CG 4.5Å; I888-W910 HydrophobicContact CD1-CB 3.69Å; I888-W910 HydrophobicContact CD1-CD2 3.82Å; I888-W910 HydrophobicContact CD1-CE3 4.23Å; I888-W910 HydrophobicContact CD1-CG 3.59Å; I888-W910 HydrophobicContact CG2-CD2 4.32Å; I888-W910 HydrophobicContact CG2-CG 4.27Å; I888-W910 HydrophobicContact CG2-CZ2 4.36Å; D906-W910 PolarHBondContact O-N 3.48Å; W910-I923 HydrophobicContact CB-CG2 4.49Å; W910-I923 HydrophobicContact CD2-CG2 4.37Å; W910-I923 HydrophobicContact CE3-CG2 3.63Å; W910-I923 HydrophobicContact CZ3-CG2 4.19Å; W910-L925 HydrophobicContact CD2-CD1 3.86Å; W910-L925 HydrophobicContact CE3-CB 3.95Å; W910-L925 HydrophobicContact CE3-CD1 4Å; W910-L925 HydrophobicContact CH2-CB 4.32Å; W910-L925 HydrophobicContact CH2-CD1 4.05Å; W910-L925 HydrophobicContact CZ2-CD1 3.84Å; W910-L925 HydrophobicContact CZ3-CB 3.8Å; W910-L925 HydrophobicContact CZ3-CD1 4.12Å; W910-L925 HydrophobicContact CZ3-CG 4.47Å; W910-I931 HydrophobicContact CH2-CD1 4.17Å; W910-I937 HydrophobicContact CH2-CD1 4.41Å; W910-I937 HydrophobicContact CZ2-CD1 3.89Å; W910-I937 HydrophobicContact CZ2-CG1 4.34Å; W910-I937 HydrophobicContact CZ2-CG2 3.95Å |
| 911 | T | 76.4 | Confident | 61.6 | Low | 69 Ų | 69 | 74.8 Ų | 74.8 | 42% | 0.423 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132.5 | 166.4 | 56.3 | 0 | 0 | 0 | 0 | 108.8 | I923 S924 | T911-I923 CarbonylContact O-C 2.98Å; T911-I923 WeakPolarHBondContact O-CA 3.43Å; T911-S924 PolarHBondContact N-O 3.06Å; T911-S924 PolarHBondContact O-N 3.43Å; T911-S924 WeakPolarHBondContact OG1-CB 3.39Å; T911-S924 PolarHBondContact OG1-O 2.88Å; T911-S924 PolarHBondContact OG1-OG 2.9Å |
| 912 | I | 80.7 | Confident | 64.4 | Low | 58 Ų | 58 | 70.1 Ų | 70.1 | 30% | 0.297 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 99.9 | -175.6 | -54 | -178.8 | 0 | 0 | 0 | 108.3 | I886 I888 I914 I923 | I886-I912 HydrophobicContact CB-CD1 4.11Å; I886-I912 HydrophobicContact CB-CG2 4.17Å; I886-I912 HydrophobicContact CD1-CG2 3.98Å; I886-I912 HydrophobicContact CG1-CG2 4.39Å; I886-I912 HydrophobicContact CG2-CD1 4.25Å; I888-I912 HydrophobicContact CD1-CD1 3.97Å; I888-I912 HydrophobicContact CD1-CG1 4.44Å; I888-I912 HydrophobicContact CG1-CD1 4.48Å; I912-I914 HydrophobicContact CG2-CG1 4.2Å; I912-I923 HydrophobicContact CG1-CG2 4.37Å |
| 913 | N | 81.5 | Confident | 67.1 | Low | 99 Ų | 99 | 64.7 Ų | 64.7 | 53% | 0.529 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 96.8 | -179.9 | -69.1 | -35.8 | 0 | 0 | 0 | 109.5 | T921 L922 | N913-T921 CarbonylContact O-C 3.54Å; N913-T921 VanDerWaalsContact O-CA 3.31Å; N913-T921 WeakPolarHBondContact O-CA 3.49Å; N913-L922 HydrophobicContact CB-CB 4.39Å; N913-L922 PolarHBondContact N-O 3.24Å; N913-L922 PolarHBondContact O-N 3.48Å |
| 914 | I | 81.3 | Confident | 69.5 | Low | 66 Ų | 66 | 59.3 Ų | 59.3 | 34% | 0.338 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 121.3 | 170.4 | -54.9 | -172.7 | 0 | 0 | 0 | 107.7 | I883 I912 T921 | I883-I914 HydrophobicContact CG2-CD1 4.46Å; I912-I914 HydrophobicContact CG2-CG1 4.2Å; I914-T921 HydrophobicContact CB-CG2 4.07Å; I914-T921 HydrophobicContact CD1-CG2 4.45Å; I914-T921 HydrophobicContact CG1-CG2 3.74Å; I914-T921 HydrophobicContact CG2-CG2 3.98Å |
| 915 | H | 78.9 | Confident | 71.9 | Confident | 98 Ų | 98 | 57.1 Ų | 57.1 | 45% | 0.454 | 31% | 0.307 | S | S | . | . | trans | -67 | 149.1 | 176.9 | -177.7 | -95.5 | 0 | 0 | 0 | 110.5 | N917 G918 L920 | H915-N917 PolarHBondContact ND1-ND2 3.28Å; H915-N917 PolarHBondContact ND1-OD1 2.94Å; H915-N917 PolarHBondContact O-N 3.38Å; H915-G918 WeakPolarHBondContact O-CA 3.47Å; H915-G918 PolarHBondContact O-N 3.27Å; H915-L920 HydrophobicContact CB-CB 4Å; H915-L920 VanDerWaalsContact CB-O 3.32Å; H915-L920 WeakPolarHBondContact CB-O 3.4Å; H915-L920 PolarHBondContact N-O 2.91Å | ||
| 916 | E | 72.7 | Confident | 73.5 | Confident | 190 Ų | 190 | 55.7 Ų | 55.7 | 89% | 0.888 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -31.2 | -168.9 | -63.2 | -176.7 | 165.3 | 0 | 0 | 115 | G918 | E916-G918 VanDerWaalsContact C-N 3.3Å; E916-G918 PolarHBondContact O-N 3.41Å |
| 917 | N | 68 | Low | 74.1 | Confident | 65 Ų | 65 | 57 Ų | 57 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -7.6 | 177.8 | 65.1 | 8.5 | 0 | 0 | 0 | 114.4 | K882 H915 L919 | K882-N917 WeakPolarHBondContact CE-O 3.4Å; H915-N917 PolarHBondContact ND1-ND2 3.28Å; H915-N917 PolarHBondContact ND1-OD1 2.94Å; H915-N917 PolarHBondContact O-N 3.38Å; N917-L919 HydrophobicContact CB-CD1 4.4Å; N917-L919 HydrophobicContact CB-CG 4.03Å; N917-L919 PolarHBondContact O-N 2.81Å; N917-L919 WeakPolarHBondContact OD1-CB 3.42Å; N917-L919 PolarHBondContact OD1-N 2.82Å |
| 918 | G | 73 | Confident | 74.8 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 71.8 | 2.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K882 I883 H915 E916 | K882-G918 CarbonylContact C-O 3.59Å; K882-G918 WeakPolarHBondContact CA-O 3.34Å; I883-G918 PolarHBondContact N-O 2.9Å; H915-G918 WeakPolarHBondContact O-CA 3.47Å; H915-G918 PolarHBondContact O-N 3.27Å; E916-G918 VanDerWaalsContact C-N 3.3Å; E916-G918 PolarHBondContact O-N 3.41Å |
| 919 | L | 78.3 | Confident | 75.5 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -88.4 | -20 | -172.9 | -52.5 | -172.3 | 0 | 0 | 0 | 113.5 | R861 F862 N864 Y866 G881 K882 N917 | R861-L919 CarbonylContact C-O 3.26Å; R861-L919 WeakPolarHBondContact CA-O 3.44Å; F862-L919 PolarHBondContact N-O 3.01Å; N864-L919 WeakPolarHBondContact ND2-CD2 3.23Å; Y866-L919 WeakPolarHBondContact OH-CD1 3.13Å; G881-L919 VanDerWaalsContact O-CD2 3.23Å; G881-L919 WeakPolarHBondContact O-CD2 3.49Å; K882-L919 HydrophobicContact CG-CD2 4.38Å; N917-L919 HydrophobicContact CB-CD1 4.4Å; N917-L919 HydrophobicContact CB-CG 4.03Å; N917-L919 PolarHBondContact O-N 2.81Å; N917-L919 WeakPolarHBondContact OD1-CB 3.42Å; N917-L919 PolarHBondContact OD1-N 2.82Å |
| 920 | L | 83.4 | Confident | 75.8 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137 | -176.8 | -158.9 | 85.5 | 0 | 0 | 0 | 108.4 | L859 T860 R861 H915 | L859-L920 HydrophobicContact CD1-CD1 3.92Å; L859-L920 HydrophobicContact CD1-CD2 3.95Å; L859-L920 HydrophobicContact CD1-CG 3.82Å; L859-L920 HydrophobicContact CG-CD1 4.4Å; T860-L920 VanDerWaalsContact O-CA 3.3Å; T860-L920 WeakPolarHBondContact O-CA 3.42Å; T860-L920 WeakPolarHBondContact O-CD1 3.46Å; R861-L920 HydrophobicContact CB-CD1 4.02Å; R861-L920 HydrophobicContact CG-CD1 4.26Å; H915-L920 HydrophobicContact CB-CB 4Å; H915-L920 VanDerWaalsContact CB-O 3.32Å; H915-L920 WeakPolarHBondContact CB-O 3.4Å; H915-L920 PolarHBondContact N-O 2.91Å |
| 921 | T | 85.1 | Confident | 76.2 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.3 | 166 | 85.1 | 0 | 0 | 0 | 0 | 110.3 | L859 T860 I883 I886 N913 I914 | L859-T921 WeakPolarHBondContact CA-O 3.37Å; T860-T921 PolarHBondContact N-O 2.93Å; T860-T921 PolarHBondContact O-N 2.84Å; T860-T921 VanDerWaalsContact O-N 3.08Å; T860-T921 WeakPolarHBondContact OG1-CB 3.18Å; T860-T921 PolarHBondContact OG1-N 2.99Å; T860-T921 PolarHBondContact OG1-O 3.41Å; T860-T921 PolarHBondContact OG1-OG1 2.8Å; I883-T921 HydrophobicContact CB-CG2 3.82Å; I883-T921 HydrophobicContact CD1-CG2 3.64Å; I883-T921 HydrophobicContact CG1-CG2 4.35Å; I883-T921 HydrophobicContact CG2-CG2 3.7Å; I886-T921 HydrophobicContact CD1-CG2 4.09Å; I886-T921 VanDerWaalsContact CD1-OG1 3.28Å; I886-T921 WeakPolarHBondContact CD1-OG1 3.44Å; N913-T921 CarbonylContact O-C 3.54Å; N913-T921 VanDerWaalsContact O-CA 3.31Å; N913-T921 WeakPolarHBondContact O-CA 3.49Å; I914-T921 HydrophobicContact CB-CG2 4.07Å; I914-T921 HydrophobicContact CD1-CG2 4.45Å; I914-T921 HydrophobicContact CG1-CG2 3.74Å; I914-T921 HydrophobicContact CG2-CG2 3.98Å |
| 922 | L | 86.8 | Confident | 76.3 | Confident | 69 Ų | 69 | 55.6 Ų | 55.6 | 36% | 0.361 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 109.4 | 172 | -175.6 | 69.4 | 0 | 0 | 0 | 107.7 | I858 L859 N913 | I858-L922 WeakPolarHBondContact O-CA 3.5Å; L859-L922 HydrophobicContact CD1-CD1 4.46Å; N913-L922 HydrophobicContact CB-CB 4.39Å; N913-L922 PolarHBondContact N-O 3.24Å; N913-L922 PolarHBondContact O-N 3.48Å |
| 923 | I | 86.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 114.7 | 171.2 | -51 | 167.8 | 0 | 0 | 0 | 106.7 | S857 I858 I886 I888 W910 T911 I912 I939 | S857-I923 CarbonylContact C-O 3.48Å; S857-I923 WeakPolarHBondContact CA-O 3.17Å; I858-I923 HydrophobicContact CB-CB 4.08Å; I858-I923 HydrophobicContact CB-CD1 4.26Å; I858-I923 HydrophobicContact CD1-CD1 4.4Å; I858-I923 HydrophobicContact CD1-CG2 4.47Å; I858-I923 PolarHBondContact N-O 3.48Å; I858-I923 PolarHBondContact O-N 2.97Å; I886-I923 HydrophobicContact CD1-CD1 3.94Å; I886-I923 HydrophobicContact CD1-CG1 3.97Å; I886-I923 HydrophobicContact CG2-CD1 3.9Å; I888-I923 HydrophobicContact CD1-CG2 3.46Å; I888-I923 VanDerWaalsContact CD1-CG2 3.46Å; W910-I923 HydrophobicContact CB-CG2 4.49Å; W910-I923 HydrophobicContact CD2-CG2 4.37Å; W910-I923 HydrophobicContact CE3-CG2 3.63Å; W910-I923 HydrophobicContact CZ3-CG2 4.19Å; T911-I923 CarbonylContact O-C 2.98Å; T911-I923 WeakPolarHBondContact O-CA 3.43Å; I912-I923 HydrophobicContact CG1-CG2 4.37Å; I923-I939 HydrophobicContact CD1-CG2 4.29Å |
| 924 | S | 82.5 | Confident | 76.3 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.7 | -179.4 | 23.2 | 0 | 0 | 0 | 0 | 111.6 | L856 T911 | L856-S924 CarbonylContact O-C 3.5Å; L856-S924 VanDerWaalsContact O-CA 3.32Å; L856-S924 WeakPolarHBondContact O-CA 3.43Å; T911-S924 PolarHBondContact N-O 3.06Å; T911-S924 PolarHBondContact O-N 3.43Å; T911-S924 WeakPolarHBondContact OG1-CB 3.39Å; T911-S924 PolarHBondContact OG1-O 2.88Å; T911-S924 PolarHBondContact OG1-OG 2.9Å |
| 925 | L | 79.8 | Confident | 76.3 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 140.7 | 171.7 | -171.8 | 63.4 | 0 | 0 | 0 | 109.1 | L856 I909 W910 L929 I931 | L856-L925 HydrophobicContact CB-CB 3.87Å; L856-L925 HydrophobicContact CB-CD2 4.25Å; L856-L925 HydrophobicContact CD1-CD2 4.38Å; L856-L925 PolarHBondContact O-N 2.88Å; I909-L925 HydrophobicContact CG2-CD1 3.64Å; W910-L925 HydrophobicContact CD2-CD1 3.86Å; W910-L925 HydrophobicContact CE3-CB 3.95Å; W910-L925 HydrophobicContact CE3-CD1 4Å; W910-L925 HydrophobicContact CH2-CB 4.32Å; W910-L925 HydrophobicContact CH2-CD1 4.05Å; W910-L925 HydrophobicContact CZ2-CD1 3.84Å; W910-L925 HydrophobicContact CZ3-CB 3.8Å; W910-L925 HydrophobicContact CZ3-CD1 4.12Å; W910-L925 HydrophobicContact CZ3-CG 4.47Å; L925-L929 HydrophobicContact CD1-CB 4.04Å; L925-L929 HydrophobicContact CD1-CD2 4.43Å; L925-L929 HydrophobicContact CD2-CB 4.47Å; L925-L929 WeakPolarHBondContact CD2-O 3.05Å; L925-L929 HydrophobicContact CG-CB 4.09Å; L925-I931 HydrophobicContact CD2-CD1 4.46Å; L925-I931 HydrophobicContact CD2-CG1 3.98Å |
| 926 | S | 69.1 | Low | 76.4 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | trans | -62.4 | 141.2 | 176.7 | 62.3 | 0 | 0 | 0 | 0 | 111 | I909 Y928 L929 | I909-S926 PolarHBondContact O-N 3.09Å; S926-Y928 PolarHBondContact O-N 2.85Å; S926-L929 PolarHBondContact O-N 2.77Å | ||
| 927 | P | 59 | Low | 77 | Confident | 76 Ų | 76 | 41.5 Ų | 41.5 | 49% | 0.494 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -0.5 | -164.1 | 24.7 | -35.6 | 0 | 0 | 0 | 115.9 | T854 | T854-P927 PolarHBondContact OG1-O 2.81Å; T854-P927 VanDerWaalsContact OG1-O 3.12Å |
| 928 | Y | 57.5 | Low | 77.9 | Confident | 87 Ų | 87 | 40.2 Ų | 40.2 | 34% | 0.341 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 2.4 | 178.7 | -51.1 | -52.1 | 0 | 0 | 0 | 113.3 | P783 S926 W930 | P783-Y928 HydrophobicContact CG-CD1 3.87Å; P783-Y928 HydrophobicContact CG-CE1 4.38Å; S926-Y928 PolarHBondContact O-N 2.85Å; Y928-W930 VanDerWaalsContact O-CD1 3.28Å; Y928-W930 PolarHBondContact O-NE1 2.84Å; Y928-W930 VanDerWaalsContact O-NE1 3.13Å |
| 929 | L | 67 | Low | 78.6 | Confident | 59 Ų | 59 | 39.8 Ų | 39.8 | 31% | 0.309 | 20% | 0.204 | S | C | . | . | trans | -103 | 143.7 | -179 | -125.2 | 133.9 | 0 | 0 | 0 | 111 | T854 I909 L925 S926 | T854-L929 PolarHBondContact OG1-O 2.86Å; I909-L929 HydrophobicContact CB-CD1 4.19Å; I909-L929 HydrophobicContact CD1-CD1 4.44Å; I909-L929 HydrophobicContact CG1-CD1 3.86Å; I909-L929 HydrophobicContact CG2-CD1 3.86Å; I909-L929 HydrophobicContact CG2-CD2 3.73Å; I909-L929 HydrophobicContact CG2-CG 4.27Å; L925-L929 HydrophobicContact CD1-CB 4.04Å; L925-L929 HydrophobicContact CD1-CD2 4.43Å; L925-L929 HydrophobicContact CD2-CB 4.47Å; L925-L929 WeakPolarHBondContact CD2-O 3.05Å; L925-L929 HydrophobicContact CG-CB 4.09Å; S926-L929 PolarHBondContact O-N 2.77Å | ||
| 930 | W | 72.5 | Confident | 79.1 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | trans | -124 | 127.6 | -164.2 | -60 | 92.8 | 0 | 0 | 0 | 110.7 | C785 K852 S853 T854 Y928 Y932 | C785-W930 VanDerWaalsContact SG-CH2 3.5Å; K852-W930 HydrophobicContact CB-CB 4.06Å; K852-W930 HydrophobicContact CB-CD2 4.02Å; K852-W930 HydrophobicContact CB-CE3 3.43Å; K852-W930 VanDerWaalsContact CB-CE3 3.43Å; K852-W930 HydrophobicContact CB-CG 4.3Å; K852-W930 HydrophobicContact CB-CZ3 4.22Å; K852-W930 HydrophobicContact CD-CB 3.91Å; K852-W930 HydrophobicContact CD-CD2 3.99Å; K852-W930 HydrophobicContact CD-CE3 4.2Å; K852-W930 HydrophobicContact CD-CG 3.87Å; K852-W930 HydrophobicContact CG-CB 4.43Å; K852-W930 HydrophobicContact CG-CE3 4.47Å; S853-W930 CarbonylContact O-C 3.58Å; S853-W930 VanDerWaalsContact O-CA 3.29Å; S853-W930 WeakPolarHBondContact O-CA 3.36Å; T854-W930 HydrophobicContact CG2-CE3 4.1Å; T854-W930 HydrophobicContact CG2-CH2 3.74Å; T854-W930 HydrophobicContact CG2-CZ3 3.46Å; T854-W930 VanDerWaalsContact CG2-CZ3 3.46Å; Y928-W930 VanDerWaalsContact O-CD1 3.28Å; Y928-W930 PolarHBondContact O-NE1 2.84Å; Y928-W930 VanDerWaalsContact O-NE1 3.13Å; W930-Y932 HydrophobicContact CB-CD2 4.46Å; W930-Y932 HydrophobicContact CB-CE2 4.02Å; W930-Y932 WeakPolarHBondContact O-CD2 3.5Å | ||
| 931 | I | 79.8 | Confident | 79.4 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -84.3 | 115.4 | 164.6 | -52.5 | -177.5 | 0 | 0 | 0 | 107.9 | L845 N847 K852 S853 L856 W910 L925 E935 I937 | L845-I931 HydrophobicContact CD2-CD1 4.28Å; N847-I931 HydrophobicContact CB-CB 4.37Å; N847-I931 HydrophobicContact CB-CG2 3.65Å; N847-I931 PolarHBondContact ND2-O 2.83Å; K852-I931 WeakPolarHBondContact CA-O 3.38Å; S853-I931 PolarHBondContact N-O 3.35Å; S853-I931 PolarHBondContact O-N 2.83Å; L856-I931 HydrophobicContact CD1-CD1 3.58Å; L856-I931 HydrophobicContact CD1-CG1 4.13Å; L856-I931 HydrophobicContact CD2-CD1 3.5Å; L856-I931 VanDerWaalsContact CD2-CD1 3.5Å; L856-I931 HydrophobicContact CG-CD1 4.11Å; W910-I931 HydrophobicContact CH2-CD1 4.17Å; L925-I931 HydrophobicContact CD2-CD1 4.46Å; L925-I931 HydrophobicContact CD2-CG1 3.98Å; I931-E935 HydrophobicContact CG2-CB 4.07Å; I931-I937 HydrophobicContact CB-CD1 4.42Å; I931-I937 HydrophobicContact CD1-CD1 3.46Å; I931-I937 VanDerWaalsContact CD1-CD1 3.46Å; I931-I937 HydrophobicContact CG1-CD1 3.73Å; I931-I937 HydrophobicContact CG2-CD1 3.86Å |
| 932 | Y | 79.8 | Confident | 79.5 | Confident | 103 Ų | 103 | 38.4 Ų | 38.4 | 40% | 0.404 | 19% | 0.194 | S | C | . | . | trans | -78.1 | 158.3 | 178.9 | -72.4 | -101.4 | 0 | 0 | 0 | 111.8 | K852 W930 N934 E935 | K852-Y932 HydrophobicContact CD-CD1 4.26Å; K852-Y932 HydrophobicContact CD-CE1 3.73Å; K852-Y932 HydrophobicContact CG-CD1 4.15Å; K852-Y932 HydrophobicContact CG-CE1 4.13Å; K852-Y932 PolarHBondContact NZ-OH 2.92Å; W930-Y932 HydrophobicContact CB-CD2 4.46Å; W930-Y932 HydrophobicContact CB-CE2 4.02Å; W930-Y932 WeakPolarHBondContact O-CD2 3.5Å; Y932-N934 PolarHBondContact O-N 3.06Å; Y932-E935 WeakPolarHBondContact CD2-OE2 3.41Å; Y932-E935 PolarHBondContact N-OE2 3.37Å; Y932-E935 WeakPolarHBondContact O-CB 3.49Å; Y932-E935 PolarHBondContact O-N 3.04Å | ||
| 933 | P | 80.7 | Confident | 79.6 | Confident | 43 Ų | 43 | 35.2 Ų | 35.2 | 28% | 0.279 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 133.3 | 172.3 | -28.1 | 36.3 | 0 | 0 | 0 | 113.3 | N847 G849 K893 E935 | N847-P933 WeakPolarHBondContact O-CA 3.49Å; G849-P933 WeakPolarHBondContact O-CB 3.23Å; G849-P933 WeakPolarHBondContact O-CG 3.05Å; K893-P933 PolarHBondContact NZ-O 2.84Å; K893-P933 VanDerWaalsContact NZ-O 3.16Å; P933-E935 PolarHBondContact O-N 3.4Å |
| 934 | N | 81.1 | Confident | 79.6 | Confident | 90 Ų | 90 | 38.4 Ų | 38.4 | 48% | 0.481 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 26.4 | -174.5 | -55.5 | -21.2 | 0 | 0 | 0 | 114 | N847 K893 Y932 | N847-N934 PolarHBondContact O-N 3.43Å; K893-N934 WeakPolarHBondContact CE-O 3.42Å; Y932-N934 PolarHBondContact O-N 3.06Å |
| 935 | E | 80.5 | Confident | 79.7 | Confident | 22 Ų | 22 | 37.2 Ų | 37.2 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | trans | -85.6 | 129.6 | 169.1 | -172.4 | 177.4 | 141.2 | 0 | 0 | 110.1 | I846 K890 I931 Y932 P933 | I846-E935 WeakPolarHBondContact CA-O 3.19Å; K890-E935 WeakPolarHBondContact CD-OE1 3.47Å; K890-E935 WeakPolarHBondContact CE-OE1 3.17Å; K890-E935 IonicContact NZ-OE1 3.37Å; K890-E935 PolarHBondContact NZ-OE1 3.08Å; K890-E935 IonicContact NZ-OE2 2.66Å; K890-E935 PolarHBondContact NZ-OE2 3.48Å; I931-E935 HydrophobicContact CG2-CB 4.07Å; Y932-E935 WeakPolarHBondContact CD2-OE2 3.41Å; Y932-E935 PolarHBondContact N-OE2 3.37Å; Y932-E935 WeakPolarHBondContact O-CB 3.49Å; Y932-E935 PolarHBondContact O-N 3.04Å; P933-E935 PolarHBondContact O-N 3.4Å | ||
| 936 | I | 82.1 | Confident | 79.6 | Confident | 56 Ų | 56 | 39.3 Ų | 39.3 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.3 | -176.8 | -52 | 178 | 0 | 0 | 0 | 109.7 | K844 I846 L891 | K844-I936 HydrophobicContact CB-CG2 3.94Å; K844-I936 HydrophobicContact CD-CG2 4.04Å; K844-I936 HydrophobicContact CG-CG2 4.15Å; I846-I936 HydrophobicContact CD1-CD1 4.44Å; I846-I936 HydrophobicContact CD1-CG1 3.95Å; I846-I936 HydrophobicContact CG1-CG1 4.19Å; L891-I936 HydrophobicContact CB-CB 4.24Å; L891-I936 HydrophobicContact CD1-CB 4.43Å; L891-I936 HydrophobicContact CD1-CG2 3.8Å; L891-I936 PolarHBondContact N-O 2.78Å |
| 937 | I | 85.6 | Confident | 79.6 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 114.6 | 176.2 | -68.4 | 140.7 | 0 | 0 | 0 | 108.4 | K844 L845 I888 K889 W910 I931 I939 | K844-I937 CarbonylContact C-O 3.42Å; K844-I937 WeakPolarHBondContact CA-O 3.34Å; L845-I937 HydrophobicContact CB-CB 4.49Å; L845-I937 PolarHBondContact N-O 3.47Å; L845-I937 PolarHBondContact O-N 3.26Å; I888-I937 HydrophobicContact CG2-CG2 3.42Å; I888-I937 VanDerWaalsContact CG2-CG2 3.42Å; K889-I937 CarbonylContact O-C 3.54Å; W910-I937 HydrophobicContact CH2-CD1 4.41Å; W910-I937 HydrophobicContact CZ2-CD1 3.89Å; W910-I937 HydrophobicContact CZ2-CG1 4.34Å; W910-I937 HydrophobicContact CZ2-CG2 3.95Å; I931-I937 HydrophobicContact CB-CD1 4.42Å; I931-I937 HydrophobicContact CD1-CD1 3.46Å; I931-I937 VanDerWaalsContact CD1-CD1 3.46Å; I931-I937 HydrophobicContact CG1-CD1 3.73Å; I931-I937 HydrophobicContact CG2-CD1 3.86Å; I937-I939 HydrophobicContact CG2-CG1 4.1Å |
| 938 | Q | 86.8 | Confident | 80.5 | Confident | 37 Ų | 37 | 34.6 Ų | 34.6 | 17% | 0.173 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 134.1 | 171.8 | 175.7 | 174.6 | -21 | 0 | 0 | 110 | L843 I888 K889 L891 D940 | L843-Q938 WeakPolarHBondContact O-CA 3.29Å; I888-Q938 CarbonylContact C-O 3.59Å; I888-Q938 WeakPolarHBondContact CA-O 3.25Å; K889-Q938 HydrophobicContact CB-CB 4.39Å; K889-Q938 PolarHBondContact N-O 2.8Å; K889-Q938 PolarHBondContact O-N 3.04Å; L891-Q938 HydrophobicContact CD1-CB 3.98Å; L891-Q938 HydrophobicContact CG-CB 4.4Å; Q938-D940 PolarHBondContact NE2-OD1 3.08Å; Q938-D940 PolarHBondContact NE2-OD2 2.84Å |
| 939 | I | 88.1 | Confident | 81 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 116.5 | 177.9 | -53.6 | 178.7 | 0 | 0 | 0 | 107.3 | L843 L845 I858 I886 N887 I888 I923 I937 I941 | L843-I939 HydrophobicContact CD1-CB 3.95Å; L843-I939 HydrophobicContact CD1-CD1 4.1Å; L843-I939 HydrophobicContact CD1-CG1 4.35Å; L843-I939 HydrophobicContact CG-CB 4.11Å; L843-I939 PolarHBondContact N-O 3.42Å; L843-I939 PolarHBondContact O-N 3.06Å; L845-I939 HydrophobicContact CB-CD1 4.42Å; I858-I939 HydrophobicContact CD1-CD1 3.45Å; I858-I939 VanDerWaalsContact CD1-CD1 3.45Å; I886-I939 HydrophobicContact CG2-CG2 3.81Å; N887-I939 CarbonylContact O-C 3.58Å; N887-I939 WeakPolarHBondContact O-CA 3.5Å; I888-I939 HydrophobicContact CG1-CG1 4.43Å; I888-I939 HydrophobicContact CG1-CG2 4.37Å; I888-I939 HydrophobicContact CG2-CG1 4.41Å; I923-I939 HydrophobicContact CD1-CG2 4.29Å; I937-I939 HydrophobicContact CG2-CG1 4.1Å; I939-I941 HydrophobicContact CG2-CD1 4.3Å; I939-I941 HydrophobicContact CG2-CG1 3.83Å |
| 940 | D | 88.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 107.9 | 173.8 | -51.8 | -49.9 | 0 | 0 | 0 | 108.6 | V840 Q842 I886 N887 K889 Q938 Y942 | V840-D940 HydrophobicContact CG1-CB 4.49Å; Q842-D940 WeakPolarHBondContact CG-OD1 3.41Å; Q842-D940 PolarHBondContact NE2-OD1 2.7Å; I886-D940 WeakPolarHBondContact CA-O 2.96Å; N887-D940 HydrophobicContact CB-CB 4.28Å; N887-D940 PolarHBondContact N-O 3.13Å; N887-D940 PolarHBondContact O-N 2.82Å; K889-D940 IonicContact NZ-OD2 2.9Å; K889-D940 PolarHBondContact NZ-OD2 3.45Å; Q938-D940 PolarHBondContact NE2-OD1 3.08Å; Q938-D940 PolarHBondContact NE2-OD2 2.84Å; D940-Y942 HydrophobicContact CB-CE2 4.05Å; D940-Y942 WeakPolarHBondContact O-CD2 3.5Å |
| 941 | I | 88.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.2 | -178.6 | -55.4 | 179.5 | 0 | 0 | 0 | 109.2 | V840 I841 L843 T860 I883 I886 I939 V943 F980 I982 | V840-I941 CarbonylContact C-O 3.55Å; V840-I941 WeakPolarHBondContact CA-O 3.31Å; I841-I941 HydrophobicContact CB-CB 4.33Å; I841-I941 PolarHBondContact N-O 3.13Å; I841-I941 PolarHBondContact O-N 3.3Å; L843-I941 HydrophobicContact CD2-CD1 3.92Å; T860-I941 HydrophobicContact CG2-CD1 3.84Å; I883-I941 HydrophobicContact CG1-CG2 4.34Å; I883-I941 HydrophobicContact CG2-CG2 3.73Å; I886-I941 HydrophobicContact CG1-CG1 4.39Å; I886-I941 HydrophobicContact CG1-CG2 4.23Å; I886-I941 HydrophobicContact CG2-CG1 4.35Å; I939-I941 HydrophobicContact CG2-CD1 4.3Å; I939-I941 HydrophobicContact CG2-CG1 3.83Å; I941-V943 HydrophobicContact CG2-CG2 4.22Å; I941-F980 HydrophobicContact CD1-CE1 4.2Å; I941-F980 HydrophobicContact CD1-CZ 3.79Å; I941-F980 HydrophobicContact CG2-CZ 4.24Å; I941-I982 HydrophobicContact CD1-CD1 4.02Å |
| 942 | Y | 88.4 | Confident | 77.7 | Confident | 45 Ų | 45 | 42 Ų | 42 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 126.6 | 178.7 | -63 | -109.1 | 0 | 0 | 0 | 109.2 | I805 V840 T884 M885 N887 D940 | I805-Y942 HydrophobicContact CD1-CD1 3.7Å; I805-Y942 HydrophobicContact CD1-CE1 4.17Å; V840-Y942 HydrophobicContact CG2-CD1 3.3Å; V840-Y942 HydrophobicContact CG2-CD2 4.27Å; V840-Y942 HydrophobicContact CG2-CE1 3.42Å; V840-Y942 VanDerWaalsContact CG2-CE1 3.42Å; V840-Y942 HydrophobicContact CG2-CE2 4.35Å; V840-Y942 HydrophobicContact CG2-CG 3.74Å; T884-Y942 PolarHBondContact N-O 2.85Å; T884-Y942 PolarHBondContact OG1-O 3.49Å; M885-Y942 HydrophobicContact CB-CD2 3.97Å; M885-Y942 HydrophobicContact CB-CG 4.03Å; M885-Y942 HydrophobicContact CG-CD2 4.33Å; M885-Y942 WeakPolarHBondContact O-CB 3.26Å; M885-Y942 PolarHBondContact O-N 3.07Å; N887-Y942 HydrophobicContact CB-CE2 4.17Å; N887-Y942 WeakPolarHBondContact ND2-CE2 3.44Å; N887-Y942 PolarHBondContact ND2-OH 2.62Å; N887-Y942 VanDerWaalsContact ND2-OH 3.14Å; D940-Y942 HydrophobicContact CB-CE2 4.05Å; D940-Y942 WeakPolarHBondContact O-CD2 3.5Å |
| 943 | V | 87.1 | Confident | 75.5 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.4 | -176 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | Q839 I841 F862 K882 I883 I941 I945 | Q839-V943 HydrophobicContact CB-CB 4.39Å; Q839-V943 PolarHBondContact N-O 2.94Å; Q839-V943 PolarHBondContact O-N 2.6Å; I841-V943 HydrophobicContact CD1-CG2 3.98Å; I841-V943 HydrophobicContact CG1-CG2 4.33Å; F862-V943 HydrophobicContact CD2-CG1 4.33Å; F862-V943 HydrophobicContact CE2-CB 4.44Å; F862-V943 HydrophobicContact CE2-CG1 3.45Å; F862-V943 VanDerWaalsContact CE2-CG1 3.45Å; F862-V943 HydrophobicContact CE2-CG2 4.1Å; F862-V943 HydrophobicContact CZ-CG1 3.94Å; K882-V943 CarbonylContact O-C 3.52Å; K882-V943 WeakPolarHBondContact O-CA 3.41Å; I883-V943 HydrophobicContact CG1-CG2 4.45Å; I941-V943 HydrophobicContact CG2-CG2 4.22Å; V943-I945 HydrophobicContact CG1-CD1 4.45Å; V943-I945 HydrophobicContact CG1-CG1 3.88Å |
| 944 | F | 87.1 | Confident | 73.2 | Confident | 66 Ų | 66 | 47.3 Ų | 47.3 | 29% | 0.289 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.5 | 167.1 | -177.4 | -97.6 | 0 | 0 | 0 | 110.6 | Q837 Q838 G881 K882 T884 Q946 | Q837-F944 HydrophobicContact CB-CD2 4.21Å; Q837-F944 HydrophobicContact CB-CE2 3.75Å; Q837-F944 HydrophobicContact CB-CZ 4.35Å; Q837-F944 CarbonylContact O-C 3.53Å; Q837-F944 WeakPolarHBondContact O-CA 3.3Å; Q838-F944 HydrophobicContact CG-CD2 4.36Å; G881-F944 CarbonylContact C-O 3.58Å; G881-F944 WeakPolarHBondContact CA-O 3.49Å; K882-F944 PolarHBondContact N-O 3.14Å; K882-F944 PolarHBondContact O-N 3.26Å; T884-F944 HydrophobicContact CG2-CB 3.49Å; T884-F944 VanDerWaalsContact CG2-CB 3.49Å; F944-Q946 HydrophobicContact CD1-CB 4.45Å; F944-Q946 HydrophobicContact CE1-CB 4.11Å |
| 945 | I | 84.6 | Confident | 70.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 101.2 | -178.4 | -50 | -176 | 0 | 0 | 0 | 109.8 | W802 L829 Q837 Q839 I879 Q880 V943 L948 | W802-I945 HydrophobicContact CZ2-CD1 4.24Å; L829-I945 HydrophobicContact CD1-CD1 3.4Å; L829-I945 VanDerWaalsContact CD1-CD1 3.4Å; L829-I945 HydrophobicContact CD2-CD1 3.89Å; L829-I945 HydrophobicContact CG-CD1 4.31Å; Q837-I945 PolarHBondContact O-N 2.88Å; Q839-I945 HydrophobicContact CG-CD1 3.9Å; Q839-I945 HydrophobicContact CG-CG1 4.49Å; I879-I945 HydrophobicContact CG2-CG2 4Å; Q880-I945 WeakPolarHBondContact O-CA 3.39Å; V943-I945 HydrophobicContact CG1-CD1 4.45Å; V943-I945 HydrophobicContact CG1-CG1 3.88Å; I945-L948 HydrophobicContact CB-CD1 3.8Å; I945-L948 HydrophobicContact CB-CG 4.38Å; I945-L948 HydrophobicContact CG2-CD1 3.73Å; I945-L948 HydrophobicContact CG2-CG 3.86Å |
| 946 | Q | 76.9 | Confident | 68.4 | Low | 53 Ų | 53 | 52.7 Ų | 52.7 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 153.3 | 174.1 | -174.9 | 171.5 | -10.7 | 0 | 0 | 110.6 | I879 Q880 F944 L948 | I879-Q946 WeakPolarHBondContact CA-O 3.48Å; Q880-Q946 HydrophobicContact CB-CB 4.42Å; Q880-Q946 PolarHBondContact N-O 3.29Å; Q880-Q946 PolarHBondContact O-N 3.24Å; F944-Q946 HydrophobicContact CD1-CB 4.45Å; F944-Q946 HydrophobicContact CE1-CB 4.11Å; Q946-L948 VanDerWaalsContact C-N 3.35Å; Q946-L948 PolarHBondContact O-N 3.14Å |
| 947 | G | 70.2 | Confident | 65.8 | Low | 10 Ų | 10 | 54 Ų | 54 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -6.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y831 L949 | Y831-G947 WeakPolarHBondContact CE2-O 3.42Å; G947-L949 VanDerWaalsContact C-N 3.27Å; G947-L949 PolarHBondContact O-N 3.16Å |
| 948 | L | 76.9 | Confident | 63.2 | Low | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -72.6 | -13.7 | 175.1 | -72.4 | 176.4 | 0 | 0 | 0 | 114.5 | G832 E836 Q837 I879 I945 Q946 | G832-L948 WeakPolarHBondContact CA-O 3.42Å; G832-L948 PolarHBondContact N-O 3.28Å; E836-L948 HydrophobicContact CB-CD1 4.12Å; Q837-L948 HydrophobicContact CG-CB 4.38Å; I879-L948 HydrophobicContact CG2-CD2 4.49Å; I945-L948 HydrophobicContact CB-CD1 3.8Å; I945-L948 HydrophobicContact CB-CG 4.38Å; I945-L948 HydrophobicContact CG2-CD1 3.73Å; I945-L948 HydrophobicContact CG2-CG 3.86Å; Q946-L948 VanDerWaalsContact C-N 3.35Å; Q946-L948 PolarHBondContact O-N 3.14Å |
| 949 | L | 68.3 | Low | 60.6 | Low | 66 Ų | 66 | 68.9 Ų | 68.9 | 35% | 0.346 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -112.2 | 139.9 | 176.2 | -65 | 177.7 | 0 | 0 | 0 | 109.5 | G832 G947 L951 | G832-L949 WeakPolarHBondContact O-CD2 3.24Å; G947-L949 VanDerWaalsContact C-N 3.27Å; G947-L949 PolarHBondContact O-N 3.16Å; L949-L951 PolarHBondContact O-N 2.86Å |
| 950 | S | 56.7 | Low | 58 | Low | 71 Ų | 71 | 77 Ų | 77 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | trans | -63.6 | 128.1 | 173.6 | 56 | 0 | 0 | 0 | 0 | 110.7 | S952 | S950-S952 PolarHBondContact O-N 3.35Å; S950-S952 VanDerWaalsContact O-N 3.07Å | ||
| 951 | L | 51 | Low | 55.4 | Low | 113 Ų | 113 | 85 Ų | 85 | 59% | 0.592 | 48% | 0.475 | S | S | * | . | trans | -58.2 | 116 | 172.4 | -88.1 | 76.6 | 0 | 0 | 0 | 110 | L949 | L949-L951 PolarHBondContact O-N 2.86Š| ||
| 952 | S | 42.7 | Very low | 52.5 | Low | 101 Ų | 101 | 92.6 Ų | 92.6 | 71% | 0.706 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -63.1 | 140.2 | 155.7 | 54.5 | 0 | 0 | 0 | 0 | 108.8 | S950 | S950-S952 PolarHBondContact O-N 3.35Å; S950-S952 VanDerWaalsContact O-N 3.07Å |
| 953 | T | 32.7 | Very low | 49.8 | Very low | 108 Ų | 108 | 96.2 Ų | 96.2 | 66% | 0.663 | 54% | 0.538 | S | S | * | . | trans | 79.5 | 80.1 | 178.4 | 79.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 954 | L | 33.4 | Very low | 47.1 | Very low | 149 Ų | 149 | 104.3 Ų | 104.3 | 78% | 0.78 | 58% | 0.58 | S | S | * | * | trans | -139.4 | 44.5 | 148.2 | -121.1 | 160 | 0 | 0 | 0 | 110.8 | T956 | L954-T956 VanDerWaalsContact C-N 3.26Å; L954-T956 PolarHBondContact O-N 2.82Å; L954-T956 VanDerWaalsContact O-N 3.07Å | ||
| 955 | S | 29.8 | Very low | 44.3 | Very low | 111 Ų | 111 | 109.1 Ų | 109.1 | 78% | 0.776 | 61% | 0.605 | S | S | * | * | trans | -84.6 | 51.2 | -176.4 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 956 | T | 30.7 | Very low | 41.7 | Very low | 114 Ų | 114 | 114.7 Ų | 114.7 | 70% | 0.699 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -151 | 88.1 | 170.4 | 45.4 | 0 | 0 | 0 | 0 | 112.8 | L954 Q958 | L954-T956 VanDerWaalsContact C-N 3.26Å; L954-T956 PolarHBondContact O-N 2.82Å; L954-T956 VanDerWaalsContact O-N 3.07Å; T956-Q958 PolarHBondContact O-N 3.48Å |
| 957 | G | 28.3 | Very low | 39.7 | Very low | 84 Ų | 84 | 118.2 Ų | 118.2 | 87% | 0.866 | 66% | 0.656 | S | S | * | * | 63.8 | 13.3 | 120.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | K959 | G957-K959 PolarHBondContact O-N 3.41Š| |||
| 958 | Q | 30.4 | Very low | 38 | Very low | 160 Ų | 160 | 122.6 Ų | 122.6 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | -85.3 | 103.3 | 159.3 | -85.5 | -170.2 | -38.4 | 0 | 0 | 109.8 | T956 L960 | T956-Q958 PolarHBondContact O-N 3.48Å; Q958-L960 PolarHBondContact O-N 3.25Å; Q958-L960 VanDerWaalsContact O-N 3.07Å | ||
| 959 | K | 32.1 | Very low | 36.2 | Very low | 192 Ų | 192 | 127.7 Ų | 127.7 | 84% | 0.835 | 71% | 0.705 | S | S | * | * | trans | -53.9 | 112.3 | 161.4 | -70.2 | 175.4 | 175.9 | 176.9 | 0 | 107.6 | G957 K961 | G957-K959 PolarHBondContact O-N 3.41Å; K959-K961 VanDerWaalsContact C-N 3.32Å; K959-K961 PolarHBondContact O-N 3.17Å | ||
| 960 | L | 34 | Very low | 34.6 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 90% | 0.901 | 73% | 0.729 | S | S | * | * | trans | -60.4 | 108.6 | 149.6 | -115 | 101 | 0 | 0 | 0 | 105 | Q958 N962 | Q958-L960 PolarHBondContact O-N 3.25Å; Q958-L960 VanDerWaalsContact O-N 3.07Å; L960-N962 PolarHBondContact O-N 3.08Å | ||
| 961 | K | 32.5 | Very low | 33.6 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | trans | -64.9 | 124.3 | 177.9 | -122.5 | -173.6 | 172.9 | -160.1 | 0 | 107 | K959 D963 | K959-K961 VanDerWaalsContact C-N 3.32Å; K959-K961 PolarHBondContact O-N 3.17Å; K961-D963 PolarHBondContact O-N 3.14Å | ||
| 962 | N | 28.5 | Very low | 32.9 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -59.1 | 106 | 161.1 | -68.9 | -16.1 | 0 | 0 | 0 | 107.5 | L960 | L960-N962 PolarHBondContact O-N 3.08Š| ||
| 963 | D | 33.1 | Very low | 32.6 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | trans | -152.1 | 137.9 | 159 | -85.6 | -46.9 | 0 | 0 | 0 | 107.5 | K961 M965 | K961-D963 PolarHBondContact O-N 3.14Å; D963-M965 PolarHBondContact O-N 3.27Å | ||
| 964 | L | 30.3 | Very low | 33.4 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 90% | 0.901 | 73% | 0.728 | S | S | * | * | trans | -65.2 | 118.1 | -167.9 | -60.3 | 93.3 | 0 | 0 | 0 | 111.9 | ||||
| 965 | M | 27.1 | Very low | 34.1 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 82% | 0.823 | 72% | 0.719 | S | S | * | * | trans | -130.9 | 119.2 | 163.4 | -81.6 | -71.4 | 175.2 | 0 | 0 | 108.8 | D963 F967 | D963-M965 PolarHBondContact O-N 3.27Å; M965-F967 PolarHBondContact O-N 3.03Å | ||
| 966 | P | 31.2 | Very low | 35.2 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | trans | -72.8 | 120.9 | 174.4 | 29.7 | -31.3 | 0 | 0 | 0 | 108.9 | S968 | P966-S968 PolarHBondContact O-N 2.87Š| ||
| 967 | F | 34.6 | Very low | 36.8 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 56% | 0.557 | 69% | 0.693 | S | S | * | * | trans | -60.8 | 106.7 | 169.8 | -77.2 | -92.8 | 0 | 0 | 0 | 109.2 | M965 Y969 | M965-F967 PolarHBondContact O-N 3.03Å; F967-Y969 HydrophobicContact CB-CD2 4Å; F967-Y969 HydrophobicContact CB-CE1 4.23Å; F967-Y969 HydrophobicContact CB-CE2 3.36Å; F967-Y969 VanDerWaalsContact CB-CZ 3.48Å; F967-Y969 HydrophobicContact CG-CE2 4.35Å; F967-Y969 WeakPolarHBondContact O-CD2 3.2Å; F967-Y969 PolarHBondContact O-N 3.46Å | ||
| 968 | S | 33.8 | Very low | 39 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | trans | -80.7 | 84 | 177 | 58.1 | 0 | 0 | 0 | 0 | 109.9 | P966 L970 | P966-S968 PolarHBondContact O-N 2.87Å; S968-L970 PolarHBondContact O-N 2.85Å | ||
| 969 | Y | 39.7 | Very low | 41.5 | Very low | 107 Ų | 107 | 125 Ų | 125 | 42% | 0.42 | 63% | 0.626 | S | S | . | * | trans | -65.4 | 19.6 | 179.2 | -64.3 | -77.3 | 0 | 0 | 0 | 115.3 | F967 N1291 | F967-Y969 HydrophobicContact CB-CD2 4Å; F967-Y969 HydrophobicContact CB-CE1 4.23Å; F967-Y969 HydrophobicContact CB-CE2 3.36Å; F967-Y969 VanDerWaalsContact CB-CZ 3.48Å; F967-Y969 HydrophobicContact CG-CE2 4.35Å; F967-Y969 WeakPolarHBondContact O-CD2 3.2Å; F967-Y969 PolarHBondContact O-N 3.46Å; Y969-N1291 VanDerWaalsContact CE2-ND2 3.34Å; Y969-N1291 WeakPolarHBondContact CE2-ND2 3Å; Y969-N1291 PolarHBondContact OH-ND2 2.94Å | ||
| 970 | L | 33.9 | Very low | 44.1 | Very low | 160 Ų | 160 | 115.9 Ų | 115.9 | 84% | 0.838 | 59% | 0.586 | S | S | * | * | trans | -102.4 | 89.5 | 179.4 | -77.9 | 88.2 | 0 | 0 | 0 | 111.3 | S968 | S968-L970 PolarHBondContact O-N 2.85Š| ||
| 971 | S | 36.6 | Very low | 46.7 | Very low | 113 Ų | 113 | 109 Ų | 109 | 79% | 0.79 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 179.1 | -24.5 | 148.1 | 43.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 972 | M | 35.9 | Very low | 49.4 | Very low | 113 Ų | 113 | 101.1 Ų | 101.1 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | trans | -95.6 | 120.9 | -174 | -62.6 | -149.6 | 176.6 | 0 | 0 | 113.4 | V868 Y974 | V868-M972 HydrophobicContact CB-SD 3.97Å; V868-M972 HydrophobicContact CG1-CE 3.66Å; V868-M972 HydrophobicContact CG1-SD 3.61Å; V868-M972 HydrophobicContact CG2-SD 4.21Å; M972-Y974 WeakPolarHBondContact O-CD2 3.43Å; M972-Y974 PolarHBondContact O-N 2.8Å | ||
| 973 | N | 36.2 | Very low | 52.3 | Low | 127 Ų | 127 | 96.6 Ų | 96.6 | 68% | 0.679 | 49% | 0.489 | S | S | * | . | trans | -65.8 | 89.4 | 172.5 | -108.4 | -33.5 | 0 | 0 | 0 | 109.8 | R975 | N973-R975 HydrophobicContact CB-CB 4.14Å; N973-R975 PolarHBondContact O-N 2.85Å | ||
| 974 | Y | 49 | Very low | 55 | Low | 104 Ų | 104 | 91 Ų | 91 | 41% | 0.408 | 46% | 0.459 | S | S | . | . | trans | -68.7 | 52.8 | 162.2 | -72 | -82.3 | 0 | 0 | 0 | 110.5 | M972 I1288 | M972-Y974 WeakPolarHBondContact O-CD2 3.43Å; M972-Y974 PolarHBondContact O-N 2.8Å; Y974-I1288 HydrophobicContact CE1-CG2 4.47Å | ||
| 975 | R | 47.8 | Very low | 57.7 | Low | 156 Ų | 156 | 87.9 Ų | 87.9 | 59% | 0.589 | 44% | 0.438 | S | S | * | . | trans | -89.3 | -5.4 | -166.2 | -141.5 | -179.8 | -162.2 | -164.4 | 4.4 | 113.7 | N973 | N973-R975 HydrophobicContact CB-CB 4.14Å; N973-R975 PolarHBondContact O-N 2.85Å | ||
| 976 | Y | 54.6 | Low | 60.3 | Low | 154 Ų | 154 | 81.5 Ų | 81.5 | 60% | 0.604 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -132.3 | 116.8 | -178.5 | -59.8 | -65.2 | 0 | 0 | 0 | 109.5 | ||
| 977 | P | 63.9 | Low | 62.6 | Low | 50 Ų | 50 | 82.8 Ų | 82.8 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | trans | -65 | 155.6 | 172 | 30.1 | -36.1 | 0 | 0 | 0 | 110.3 | K979 F1306 | P977-K979 WeakPolarHBondContact O-CG 3.37Å; P977-K979 PolarHBondContact O-N 2.92Å; P977-K979 VanDerWaalsContact O-N 3.11Å; P977-F1306 HydrophobicContact CB-CD1 4.31Å; P977-F1306 HydrophobicContact CB-CE1 3.35Å; P977-F1306 HydrophobicContact CB-CZ 3.76Å | ||
| 978 | P | 74.7 | Confident | 64.7 | Low | 12 Ų | 12 | 77.2 Ų | 77.2 | 8% | 0.078 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -56.3 | 116.1 | 176.7 | 23.9 | -35.5 | 0 | 0 | 0 | 111.1 | H863 W865 P1001 Y1002 F1306 | H863-P978 WeakPolarHBondContact O-CA 3.41Å; W865-P978 HydrophobicContact CD2-CB 4.41Å; W865-P978 HydrophobicContact CD2-CG 4.21Å; W865-P978 HydrophobicContact CG-CB 4.19Å; W865-P978 HydrophobicContact CZ2-CG 4.01Å; W865-P978 VanDerWaalsContact NE1-CB 3.34Å; P978-P1001 WeakPolarHBondContact O-CA 3.37Å; P978-Y1002 HydrophobicContact CB-CD1 4.12Å; P978-Y1002 HydrophobicContact CB-CD2 4.48Å; P978-Y1002 HydrophobicContact CB-CE1 3.66Å; P978-Y1002 HydrophobicContact CB-CE2 4.1Å; P978-Y1002 WeakPolarHBondContact CG-O 3.39Å; P978-Y1002 WeakPolarHBondContact O-CD1 3.28Å; P978-Y1002 PolarHBondContact O-N 3.24Å; P978-F1306 HydrophobicContact CG-CD1 4.18Å |
| 979 | K | 82.5 | Confident | 66.9 | Low | 30 Ų | 30 | 77.5 Ų | 77.5 | 13% | 0.13 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150.5 | -172.7 | 71.3 | 178.1 | -168.5 | 154.4 | 0 | 113.1 | H863 P977 E981 I1000 | H863-K979 HydrophobicContact CB-CG 3.99Å; H863-K979 WeakPolarHBondContact CB-O 3.35Å; H863-K979 PolarHBondContact N-O 2.79Å; H863-K979 PolarHBondContact O-N 2.82Å; H863-K979 VanDerWaalsContact O-N 3.17Å; P977-K979 WeakPolarHBondContact O-CG 3.37Å; P977-K979 PolarHBondContact O-N 2.92Å; P977-K979 VanDerWaalsContact O-N 3.11Å; K979-E981 IonicContact NZ-OE1 3.15Å; K979-E981 PolarHBondContact NZ-OE1 2.97Å; K979-I1000 CarbonylContact C-O 3.59Å; K979-I1000 VanDerWaalsContact CA-O 3.3Å; K979-I1000 WeakPolarHBondContact CA-O 3.31Å |
| 980 | F | 87.1 | Confident | 68.9 | Low | 1 Ų | 1 | 73 Ų | 73 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 137.2 | 164.4 | -178 | -104.5 | 0 | 0 | 0 | 109.4 | W802 I841 T860 F862 I883 I941 I982 S999 I1000 | W802-F980 HydrophobicContact CH2-CB 4.2Å; W802-F980 HydrophobicContact CZ3-CB 3.84Å; I841-F980 HydrophobicContact CD1-CB 4.24Å; I841-F980 HydrophobicContact CD1-CD1 3.53Å; I841-F980 HydrophobicContact CD1-CD2 4.04Å; I841-F980 HydrophobicContact CD1-CE1 3.78Å; I841-F980 HydrophobicContact CD1-CE2 4.26Å; I841-F980 HydrophobicContact CD1-CG 3.66Å; I841-F980 HydrophobicContact CD1-CZ 4.14Å; I841-F980 HydrophobicContact CG2-CE1 4.38Å; T860-F980 HydrophobicContact CG2-CZ 4.02Å; F862-F980 AromaticContact CD2-CD2 3.53Å; F862-F980 HydrophobicContact CD2-CD2 3.53Å; F862-F980 HydrophobicContact CD2-CE2 4.14Å; F862-F980 HydrophobicContact CE2-CB 4.43Å; F862-F980 AromaticContact CE2-CD2 3.72Å; F862-F980 HydrophobicContact CE2-CD2 3.72Å; F862-F980 HydrophobicContact CE2-CE2 4.48Å; F862-F980 HydrophobicContact CE2-CG 4.48Å; F862-F980 HydrophobicContact CG-CD2 4.35Å; I883-F980 HydrophobicContact CD1-CE2 3.92Å; I883-F980 HydrophobicContact CG1-CE2 4.27Å; I941-F980 HydrophobicContact CD1-CE1 4.2Å; I941-F980 HydrophobicContact CD1-CZ 3.79Å; I941-F980 HydrophobicContact CG2-CZ 4.24Å; F980-I982 HydrophobicContact CE1-CB 4.26Å; F980-S999 CarbonylContact O-C 3.5Å; F980-S999 VanDerWaalsContact O-CA 3.26Å; F980-S999 WeakPolarHBondContact O-CA 3.39Å; F980-I1000 HydrophobicContact CD1-CD1 4.25Å; F980-I1000 PolarHBondContact N-O 3.05Å; F980-I1000 PolarHBondContact O-N 2.95Å |
| 981 | E | 87.9 | Confident | 70.8 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 13% | 0.126 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.4 | -175.5 | -178.3 | 172.7 | -107.8 | 0 | 0 | 109.3 | T860 R861 H863 K979 L997 E998 | T860-E981 CarbonylContact C-O 3.44Å; T860-E981 WeakPolarHBondContact CA-O 3.38Å; R861-E981 HydrophobicContact CB-CB 4.38Å; R861-E981 PolarHBondContact N-O 3.17Å; R861-E981 IonicContact NH1-OE2 3.49Å; R861-E981 PolarHBondContact O-N 3.11Å; H863-E981 IonicContact CD2-OE2 3.35Å; H863-E981 IonicContact CE1-OE2 2.76Å; H863-E981 IonicContact NE2-OE1 3.77Å; H863-E981 IonicContact NE2-OE2 3.09Å; H863-E981 PolarHBondContact NE2-OE2 2.85Å; K979-E981 IonicContact NZ-OE1 3.15Å; K979-E981 PolarHBondContact NZ-OE1 2.97Å; E981-L997 HydrophobicContact CG-CD1 3.8Å; E981-E998 CarbonylContact C-O 3.24Å; E981-E998 WeakPolarHBondContact CA-O 3.44Å |
| 982 | I | 89.4 | Confident | 72.9 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129 | 177.4 | -173.6 | 171.4 | 0 | 0 | 0 | 110 | F797 L843 I858 T860 I941 F980 L997 E998 | F797-I982 HydrophobicContact CE1-CD1 4.05Å; F797-I982 HydrophobicContact CE1-CG1 4.39Å; F797-I982 HydrophobicContact CE2-CG1 4.44Å; F797-I982 HydrophobicContact CE2-CG2 4.25Å; F797-I982 HydrophobicContact CZ-CD1 4.05Å; F797-I982 HydrophobicContact CZ-CG1 3.88Å; F797-I982 HydrophobicContact CZ-CG2 4.39Å; L843-I982 HydrophobicContact CD1-CD1 3.9Å; L843-I982 HydrophobicContact CD2-CD1 3.64Å; L843-I982 HydrophobicContact CG-CD1 4.45Å; I858-I982 HydrophobicContact CG2-CD1 3.86Å; I858-I982 HydrophobicContact CG2-CG1 3.69Å; T860-I982 HydrophobicContact CG2-CB 4.35Å; T860-I982 HydrophobicContact CG2-CD1 3.98Å; T860-I982 HydrophobicContact CG2-CG1 3.86Å; I941-I982 HydrophobicContact CD1-CD1 4.02Å; F980-I982 HydrophobicContact CE1-CB 4.26Å; I982-L997 WeakPolarHBondContact O-CA 3.35Å; I982-E998 HydrophobicContact CG2-CB 3.62Å; I982-E998 PolarHBondContact N-O 2.89Å; I982-E998 PolarHBondContact O-N 3.45Å |
| 983 | Q | 90.1 | Very high | 74.8 | Confident | 64 Ų | 64 | 75.1 Ų | 75.1 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.9 | -178.9 | -176 | 177.4 | 50.3 | 0 | 0 | 110.3 | I858 L859 K985 N996 L997 | I858-Q983 CarbonylContact C-O 3.49Å; I858-Q983 VanDerWaalsContact CA-O 3.3Å; I858-Q983 WeakPolarHBondContact CA-O 3.45Å; I858-Q983 WeakPolarHBondContact CG2-O 3.45Å; L859-Q983 HydrophobicContact CB-CB 4.49Å; L859-Q983 PolarHBondContact N-O 2.87Å; L859-Q983 PolarHBondContact O-N 2.85Å; Q983-K985 VanDerWaalsContact OE1-CE 3.26Å; Q983-N996 CarbonylContact C-O 3.49Å; Q983-N996 WeakPolarHBondContact CA-O 3.43Å; Q983-N996 WeakPolarHBondContact CG-O 3.4Å; Q983-L997 HydrophobicContact CB-CD1 3.92Å; Q983-L997 HydrophobicContact CG-CD1 4.37Å |
| 984 | V | 89.2 | Confident | 76.7 | Confident | 3 Ų | 3 | 77.7 Ų | 77.7 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 146.1 | 169.5 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | L795 F797 L845 L856 I858 N996 | L795-V984 HydrophobicContact CB-CG1 4.1Å; L795-V984 HydrophobicContact CD1-CG2 3.85Å; F797-V984 HydrophobicContact CE2-CB 4.4Å; F797-V984 HydrophobicContact CE2-CG1 4.01Å; F797-V984 HydrophobicContact CZ-CB 3.91Å; F797-V984 HydrophobicContact CZ-CG1 3.94Å; L845-V984 HydrophobicContact CD1-CG1 4.36Å; L845-V984 HydrophobicContact CD1-CG2 4.48Å; L856-V984 HydrophobicContact CD2-CG2 3.7Å; L856-V984 HydrophobicContact CG-CG2 4.39Å; I858-V984 HydrophobicContact CG1-CB 4.35Å; I858-V984 HydrophobicContact CG1-CG2 4Å; V984-N996 HydrophobicContact CG1-CB 3.79Å; V984-N996 WeakPolarHBondContact CG1-OD1 3.47Å; V984-N996 PolarHBondContact N-O 3.26Å |
| 985 | K | 86.3 | Confident | 78.2 | Confident | 107 Ų | 107 | 75.6 Ų | 75.6 | 47% | 0.465 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154 | 173.8 | -62.8 | 179.1 | -177.1 | 177.9 | 0 | 108.6 | L856 S857 Q983 | L856-K985 CarbonylContact C-O 3.31Å; L856-K985 WeakPolarHBondContact CA-O 3.43Å; S857-K985 PolarHBondContact N-O 3.33Å; S857-K985 PolarHBondContact O-N 2.81Å; Q983-K985 VanDerWaalsContact OE1-CE 3.26Å |
| 986 | S | 82.3 | Confident | 79.9 | Confident | 33 Ų | 33 | 68.7 Ų | 68.7 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | trans | -140.7 | 154.7 | 178.6 | -170 | 0 | 0 | 0 | 0 | 110.8 | S853 T854 T988 | S853-S986 PolarHBondContact OG-OG 2.81Å; T854-S986 PolarHBondContact O-OG 3.5Å; S986-T988 VanDerWaalsContact C-N 3.32Å; S986-T988 PolarHBondContact OG-N 2.91Å; S986-T988 PolarHBondContact OG-OG1 3.28Å; S986-T988 VanDerWaalsContact OG-OG1 3.04Å | ||
| 987 | E | 78.6 | Confident | 81.4 | Confident | 145 Ų | 145 | 65.4 Ų | 65.4 | 68% | 0.678 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -77.2 | -22.6 | 169.1 | -72.9 | 177 | 173.3 | 0 | 0 | 111.6 | T854 | T854-E987 PolarHBondContact O-N 2.92Š|
| 988 | T | 78.7 | Confident | 82.4 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -80.6 | 144.3 | 174.5 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | C791 S793 S853 T854 S986 D990 | C791-T988 HydrophobicContact CB-CG2 3.82Å; C791-T988 WeakPolarHBondContact O-CB 3.47Å; S793-T988 VanDerWaalsContact CB-OG1 3.3Å; S793-T988 WeakPolarHBondContact CB-OG1 3.45Å; S793-T988 PolarHBondContact OG-O 3.18Å; S793-T988 PolarHBondContact OG-OG1 3.4Å; S853-T988 WeakPolarHBondContact CA-OG1 3.34Å; S853-T988 PolarHBondContact OG-OG1 2.68Å; T854-T988 HydrophobicContact CG2-CG2 4.08Å; S986-T988 VanDerWaalsContact C-N 3.32Å; S986-T988 PolarHBondContact OG-N 2.91Å; S986-T988 PolarHBondContact OG-OG1 3.28Å; S986-T988 VanDerWaalsContact OG-OG1 3.04Å; T988-D990 PolarHBondContact O-N 2.78Å |
| 989 | N | 80.2 | Confident | 82.8 | Confident | 107 Ų | 107 | 68.8 Ų | 68.8 | 57% | 0.572 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 119.4 | -173.6 | -169.5 | 10.6 | 0 | 0 | 0 | 111.1 | C791 S792 S793 | C791-N989 PolarHBondContact O-N 3.39Å; S792-N989 WeakPolarHBondContact CA-O 3.48Å; S792-N989 WeakPolarHBondContact CB-O 3.47Å; S793-N989 PolarHBondContact N-O 3.39Å |
| 990 | D | 81.4 | Confident | 83 | Confident | 14 Ų | 14 | 68 Ų | 68 | 8% | 0.075 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.2 | -178.2 | -173 | -14 | 0 | 0 | 0 | 111.1 | S793 T988 Q992 N996 | S793-D990 WeakPolarHBondContact O-CA 3.41Å; T988-D990 PolarHBondContact O-N 2.78Å; D990-Q992 PolarHBondContact OD1-N 2.87Å; D990-N996 PolarHBondContact OD2-ND2 3.27Å |
| 991 | K | 75.1 | Confident | 82.8 | Confident | 178 Ų | 178 | 70.1 Ų | 70.1 | 77% | 0.774 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -86.7 | -24.9 | -176.7 | -66.1 | -177.2 | 179 | 178.4 | 0 | 113.8 | ||
| 992 | Q | 79.5 | Confident | 82.5 | Confident | 97 Ų | 97 | 68.9 Ų | 68.9 | 45% | 0.453 | 34% | 0.339 | S | S | . | . | trans | -116.4 | 65.4 | -172.9 | -62.6 | -158.9 | 9.9 | 0 | 0 | 112.3 | D990 E994 N995 | D990-Q992 PolarHBondContact OD1-N 2.87Å; Q992-E994 PolarHBondContact O-N 3.5Å; Q992-N995 PolarHBondContact O-N 3.33Å; Q992-N995 PolarHBondContact OE1-ND2 2.87Å | ||
| 993 | K | 76.8 | Confident | 82.2 | Confident | 154 Ų | 154 | 71 Ų | 71 | 67% | 0.67 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -10.3 | -174.7 | -65.5 | 179.5 | -178.7 | 173.6 | 0 | 115.8 | ||
| 994 | E | 75.3 | Confident | 81.9 | Confident | 181 Ų | 181 | 68 Ų | 68 | 85% | 0.846 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -37.6 | 178.5 | -65.7 | 177.8 | -173.6 | 0 | 0 | 111.8 | Q992 N996 | Q992-E994 PolarHBondContact O-N 3.5Å; E994-N996 PolarHBondContact O-N 2.74Å |
| 995 | N | 80.4 | Confident | 81.7 | Confident | 60 Ų | 60 | 68.8 Ų | 68.8 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.3 | 176.6 | -59 | -17.2 | 0 | 0 | 0 | 113.3 | L795 Q992 L997 | L795-N995 WeakPolarHBondContact O-CB 3.31Å; Q992-N995 PolarHBondContact O-N 3.33Å; Q992-N995 PolarHBondContact OE1-ND2 2.87Å; N995-L997 VanDerWaalsContact C-N 3.31Å; N995-L997 PolarHBondContact O-N 2.9Å |
| 996 | N | 83.9 | Confident | 81.7 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 6% | 0.064 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.5 | -173.2 | -72.5 | -23.9 | 0 | 0 | 0 | 114 | L795 Q983 V984 D990 E994 | L795-N996 WeakPolarHBondContact CB-OD1 3.28Å; L795-N996 PolarHBondContact O-OD1 2.8Å; Q983-N996 CarbonylContact C-O 3.49Å; Q983-N996 WeakPolarHBondContact CA-O 3.43Å; Q983-N996 WeakPolarHBondContact CG-O 3.4Å; V984-N996 HydrophobicContact CG1-CB 3.79Å; V984-N996 WeakPolarHBondContact CG1-OD1 3.47Å; V984-N996 PolarHBondContact N-O 3.26Å; D990-N996 PolarHBondContact OD2-ND2 3.27Å; E994-N996 PolarHBondContact O-N 2.74Å |
| 997 | L | 85.7 | Confident | 81.9 | Confident | 84 Ų | 84 | 67.5 Ų | 67.5 | 44% | 0.44 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 127.8 | -179 | -178.7 | 68.6 | 0 | 0 | 0 | 111.6 | E981 I982 Q983 N995 | E981-L997 HydrophobicContact CG-CD1 3.8Å; I982-L997 WeakPolarHBondContact O-CA 3.35Å; Q983-L997 HydrophobicContact CB-CD1 3.92Å; Q983-L997 HydrophobicContact CG-CD1 4.37Å; N995-L997 VanDerWaalsContact C-N 3.31Å; N995-L997 PolarHBondContact O-N 2.9Å |
| 998 | E | 86.4 | Confident | 82.3 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144.3 | 178.4 | -91.7 | -76.2 | -162 | 0 | 0 | 111.5 | F797 I800 E981 I982 | F797-E998 HydrophobicContact CB-CG 4.11Å; F797-E998 HydrophobicContact CD2-CB 4.16Å; F797-E998 HydrophobicContact CD2-CG 3.92Å; F797-E998 HydrophobicContact CG-CG 4.4Å; I800-E998 HydrophobicContact CD1-CB 3.98Å; I800-E998 HydrophobicContact CD1-CG 3.55Å; I800-E998 WeakPolarHBondContact CD1-OE1 3.42Å; E981-E998 CarbonylContact C-O 3.24Å; E981-E998 WeakPolarHBondContact CA-O 3.44Å; I982-E998 HydrophobicContact CG2-CB 3.62Å; I982-E998 PolarHBondContact N-O 2.89Å; I982-E998 PolarHBondContact O-N 3.45Å |
| 999 | S | 82.8 | Confident | 82.6 | Confident | 58 Ų | 58 | 64 Ų | 64 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 127.4 | -176.5 | 83.3 | 0 | 0 | 0 | 0 | 115 | F980 | F980-S999 CarbonylContact O-C 3.5Å; F980-S999 VanDerWaalsContact O-CA 3.26Å; F980-S999 WeakPolarHBondContact O-CA 3.39Å |
| 1000 | I | 85.5 | Confident | 83 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 8% | 0.077 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 108.1 | -171.5 | -38.6 | 170.5 | 0 | 0 | 0 | 110 | I800 W802 F825 I841 K979 F980 | I800-I1000 HydrophobicContact CG2-CD1 3.54Å; I800-I1000 HydrophobicContact CG2-CG1 4.34Å; W802-I1000 HydrophobicContact CE3-CB 4.04Å; W802-I1000 HydrophobicContact CE3-CD1 4.25Å; W802-I1000 HydrophobicContact CE3-CG2 3.74Å; W802-I1000 HydrophobicContact CZ3-CB 4.14Å; W802-I1000 HydrophobicContact CZ3-CG2 4.16Å; F825-I1000 VanDerWaalsContact O-CG2 3.31Å; F825-I1000 WeakPolarHBondContact O-CG2 3.42Å; I841-I1000 HydrophobicContact CG2-CD1 3.93Å; K979-I1000 CarbonylContact C-O 3.59Å; K979-I1000 VanDerWaalsContact CA-O 3.3Å; K979-I1000 WeakPolarHBondContact CA-O 3.31Å; F980-I1000 HydrophobicContact CD1-CD1 4.25Å; F980-I1000 PolarHBondContact N-O 3.05Å; F980-I1000 PolarHBondContact O-N 2.95Å |
| 1001 | P | 82.5 | Confident | 83.4 | Confident | 44 Ų | 44 | 61.3 Ų | 61.3 | 29% | 0.286 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 153.9 | 177.1 | 31.9 | -36 | 0 | 0 | 0 | 112.4 | I826 K827 P978 | I826-P1001 HydrophobicContact CB-CG 4.45Å; I826-P1001 HydrophobicContact CG1-CG 3.97Å; I826-P1001 HydrophobicContact CG2-CG 4.35Å; K827-P1001 PolarHBondContact N-O 2.87Å; P978-P1001 WeakPolarHBondContact O-CA 3.37Å |
| 1002 | Y | 82.7 | Confident | 84.1 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145.7 | 177.8 | 71.7 | -88.1 | 0 | 0 | 0 | 114.4 | W802 K827 L829 F862 W865 P978 | W802-Y1002 AromaticContact CH2-CD1 3.9Å; W802-Y1002 HydrophobicContact CH2-CD1 3.9Å; W802-Y1002 HydrophobicContact CH2-CG 4.12Å; W802-Y1002 HydrophobicContact CZ3-CD1 4.46Å; K827-Y1002 CarbonylContact O-C 3.59Å; K827-Y1002 WeakPolarHBondContact O-CA 3.37Å; K827-Y1002 WeakPolarHBondContact O-CB 3.34Å; L829-Y1002 HydrophobicContact CD1-CD2 3.62Å; L829-Y1002 HydrophobicContact CD1-CE2 4.19Å; L829-Y1002 HydrophobicContact CD1-CG 4.33Å; F862-Y1002 HydrophobicContact CD1-CE1 4.27Å; F862-Y1002 HydrophobicContact CE1-CD1 4.31Å; F862-Y1002 AromaticContact CE1-CE1 3.45Å; F862-Y1002 HydrophobicContact CE1-CE1 3.45Å; F862-Y1002 VanDerWaalsContact CE1-CE1 3.45Å; F862-Y1002 AromaticContact CE1-CZ 3.72Å; F862-Y1002 HydrophobicContact CZ-CE1 4.18Å; W865-Y1002 AromaticContact CD1-CE2 3.56Å; W865-Y1002 AromaticContact CD1-CZ 3.74Å; W865-Y1002 AromaticContact NE1-CE2 3.38Å; W865-Y1002 AromaticContact NE1-CZ 3.93Å; P978-Y1002 HydrophobicContact CB-CD1 4.12Å; P978-Y1002 HydrophobicContact CB-CD2 4.48Å; P978-Y1002 HydrophobicContact CB-CE1 3.66Å; P978-Y1002 HydrophobicContact CB-CE2 4.1Å; P978-Y1002 WeakPolarHBondContact CG-O 3.39Å; P978-Y1002 WeakPolarHBondContact O-CD1 3.28Å; P978-Y1002 PolarHBondContact O-N 3.24Å |
| 1003 | R | 82.7 | Confident | 84.5 | Confident | 47 Ų | 47 | 53.2 Ų | 53.2 | 18% | 0.177 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 156.7 | -176.8 | -60.2 | 178.3 | -175.6 | 177 | 27.5 | 111.4 | I826 K827 L829 D1303 K1305 F1306 | I826-R1003 HydrophobicContact CG2-CG 3.72Å; K827-R1003 PolarHBondContact O-N 2.85Å; L829-R1003 PolarHBondContact N-O 3.19Å; R1003-D1303 PolarHBondContact NH2-O 3.4Å; R1003-D1303 IonicContact NH2-OD1 3.28Å; R1003-K1305 WeakPolarHBondContact CD-O 3.17Å; R1003-K1305 WeakPolarHBondContact CG-O 3.39Å; R1003-K1305 PolarHBondContact NE-O 3.12Å; R1003-F1306 WeakPolarHBondContact CA-O 3.35Å; R1003-F1306 WeakPolarHBondContact CB-O 3.5Å |
| 1004 | I | 83.1 | Confident | 85 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.8 | -179.9 | -58.1 | 156.1 | 0 | 0 | 0 | 110.6 | L829 W865 I879 I1282 F1306 I1307 D1308 | L829-I1004 CarbonylContact O-C 3.6Å; L829-I1004 WeakPolarHBondContact O-CA 3.22Å; W865-I1004 HydrophobicContact CD2-CD1 4.17Å; W865-I1004 VanDerWaalsContact CE2-CD1 3.49Å; W865-I1004 HydrophobicContact CH2-CD1 4.11Å; W865-I1004 HydrophobicContact CZ2-CD1 3.46Å; W865-I1004 VanDerWaalsContact CZ2-CD1 3.46Å; W865-I1004 HydrophobicContact CZ2-CG1 4.02Å; I879-I1004 HydrophobicContact CD1-CD1 3.35Å; I879-I1004 HydrophobicContact CD1-CG1 4.31Å; I879-I1004 HydrophobicContact CG1-CD1 4.49Å; I879-I1004 HydrophobicContact CG2-CD1 4.36Å; I1004-I1282 HydrophobicContact CG2-CD1 3.85Å; I1004-F1306 PolarHBondContact N-O 2.93Å; I1004-I1307 HydrophobicContact CB-CG1 4.08Å; I1004-I1307 HydrophobicContact CD1-CG1 4.48Å; I1004-I1307 WeakPolarHBondContact O-CA 3.33Å; I1004-D1308 PolarHBondContact O-N 3.42Å |
| 1005 | L | 85.9 | Confident | 85.4 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116 | 175.8 | 170.3 | 57.2 | 0 | 0 | 0 | 110.9 | I828 L829 K830 Y831 K1007 D1308 K1310 | I828-L1005 HydrophobicContact CG2-CB 3.71Å; I828-L1005 HydrophobicContact CG2-CD2 4.18Å; L829-L1005 PolarHBondContact O-N 2.83Å; K830-L1005 WeakPolarHBondContact CA-O 3.37Å; K830-L1005 HydrophobicContact CG-CD2 4.17Å; Y831-L1005 PolarHBondContact N-O 2.91Å; L1005-K1007 HydrophobicContact CD1-CB 4.48Å; L1005-D1308 CarbonylContact C-O 3.56Å; L1005-D1308 WeakPolarHBondContact CA-O 3.38Å; L1005-D1308 HydrophobicContact CD1-CB 4.08Å; L1005-K1310 HydrophobicContact CD1-CB 4.12Å; L1005-K1310 HydrophobicContact CD1-CD 3.89Å; L1005-K1310 HydrophobicContact CD1-CG 4.13Å |
| 1006 | F | 86.4 | Confident | 85.5 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.022 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 116.5 | 170.5 | -179 | -93.6 | 0 | 0 | 0 | 110.1 | Y831 P1008 I1061 L1278 P1279 I1282 D1308 I1309 K1310 Y1311 | Y831-F1006 AromaticContact CD1-CD2 3.94Å; Y831-F1006 HydrophobicContact CD1-CD2 3.94Å; Y831-F1006 HydrophobicContact CD1-CE2 4.35Å; F1006-P1008 HydrophobicContact CE1-CG 4.01Å; F1006-I1061 HydrophobicContact CD2-CD1 3.9Å; F1006-I1061 HydrophobicContact CE2-CD1 3.89Å; F1006-I1061 HydrophobicContact CE2-CG2 3.7Å; F1006-I1061 HydrophobicContact CZ-CD1 4.49Å; F1006-I1061 HydrophobicContact CZ-CG2 4.15Å; F1006-L1278 HydrophobicContact CD1-CD2 4.01Å; F1006-L1278 HydrophobicContact CE1-CD2 3.7Å; F1006-L1278 HydrophobicContact CZ-CD2 4.03Å; F1006-P1279 HydrophobicContact CE2-CG 3.79Å; F1006-P1279 HydrophobicContact CZ-CG 4.49Å; F1006-I1282 HydrophobicContact CB-CG2 4.39Å; F1006-I1282 HydrophobicContact CD2-CG1 4.11Å; F1006-I1282 HydrophobicContact CD2-CG2 4.45Å; F1006-I1282 HydrophobicContact CG-CG2 4.43Å; F1006-D1308 PolarHBondContact N-O 2.77Å; F1006-I1309 HydrophobicContact CB-CG1 4.46Å; F1006-I1309 HydrophobicContact CD1-CG2 4.19Å; F1006-K1310 PolarHBondContact O-N 3.42Å; F1006-Y1311 HydrophobicContact CE1-CE1 4.31Å |
| 1007 | K | 86 | Confident | 85.2 | Confident | 109 Ų | 109 | 46.3 Ų | 46.3 | 47% | 0.474 | 24% | 0.244 | S | C | . | . | trans | -139.3 | 95.2 | -179.9 | -175.9 | -179.4 | -178.9 | -175.8 | 0 | 111.5 | L1005 K1310 | L1005-K1007 HydrophobicContact CD1-CB 4.48Å; K1007-K1310 WeakPolarHBondContact CA-O 3.3Å; K1007-K1310 WeakPolarHBondContact CG-O 3.39Å | ||
| 1008 | P | 86.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -74.8 | 156.4 | 175.2 | 33.2 | -35.5 | 0 | 0 | 0 | 111.4 | F1006 L1063 W1275 Y1311 P1312 | F1006-P1008 HydrophobicContact CE1-CG 4.01Å; P1008-L1063 HydrophobicContact CB-CD1 4.42Å; P1008-L1063 HydrophobicContact CB-CD2 3.85Å; P1008-W1275 HydrophobicContact CB-CE3 3.62Å; P1008-W1275 HydrophobicContact CB-CZ3 3.79Å; P1008-W1275 HydrophobicContact CG-CD2 3.92Å; P1008-W1275 HydrophobicContact CG-CE3 3.47Å; P1008-W1275 VanDerWaalsContact CG-CE3 3.47Å; P1008-W1275 HydrophobicContact CG-CG 4.46Å; P1008-W1275 HydrophobicContact CG-CZ3 3.89Å; P1008-Y1311 HydrophobicContact CG-CD1 3.76Å; P1008-Y1311 HydrophobicContact CG-CE1 4Å; P1008-P1312 WeakPolarHBondContact O-CD 3.14Å | ||
| 1009 | M | 86.7 | Confident | 84.6 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 39% | 0.394 | 26% | 0.259 | S | S | . | . | trans | -143.3 | 112.6 | 179.1 | -69.5 | -178.8 | 57.8 | 0 | 0 | 110.5 | N1057 Q1058 G1059 | M1009-N1057 PolarHBondContact O-OD1 2.87Å; M1009-N1057 VanDerWaalsContact O-OD1 3.05Å; M1009-Q1058 PolarHBondContact O-N 2.66Å; M1009-G1059 PolarHBondContact O-N 3.24Å | ||
| 1010 | V | 87.9 | Confident | 84.7 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 9% | 0.085 | 26% | 0.262 | C | S | . | . | trans | -124.9 | 128.5 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 108.1 | I1055 E1056 L1063 L1066 F1237 I1272 W1275 | V1010-I1055 HydrophobicContact CG1-CG2 3.64Å; V1010-E1056 WeakPolarHBondContact CA-O 3.48Å; V1010-L1063 HydrophobicContact CG2-CD1 3.52Å; V1010-L1066 HydrophobicContact CG2-CD2 4.4Å; V1010-F1237 HydrophobicContact CG1-CE1 4.06Å; V1010-F1237 HydrophobicContact CG2-CD1 4.27Å; V1010-F1237 HydrophobicContact CG2-CE1 3.95Å; V1010-I1272 HydrophobicContact CB-CD1 3.97Å; V1010-I1272 HydrophobicContact CG1-CD1 4.09Å; V1010-W1275 HydrophobicContact CB-CH2 4.21Å; V1010-W1275 HydrophobicContact CB-CZ3 3.96Å; V1010-W1275 HydrophobicContact CG2-CZ3 3.88Å | ||
| 1011 | N | 88.5 | Confident | 84.8 | Confident | 52 Ų | 52 | 48.1 Ų | 48.1 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 148.5 | 175.6 | -71 | -1.3 | 0 | 0 | 0 | 110.2 | F1013 I1055 E1056 Q1058 | N1011-F1013 HydrophobicContact CB-CE1 4.42Å; N1011-F1013 HydrophobicContact CB-CE2 3.73Å; N1011-F1013 HydrophobicContact CB-CZ 3.65Å; N1011-I1055 WeakPolarHBondContact O-CA 3.49Å; N1011-E1056 PolarHBondContact N-O 2.87Å; N1011-E1056 PolarHBondContact O-N 3.39Å; N1011-Q1058 PolarHBondContact ND2-NE2 2.78Å; N1011-Q1058 VanDerWaalsContact ND2-NE2 3.18Å; N1011-Q1058 PolarHBondContact ND2-OE1 2.91Å |
| 1012 | I | 89.7 | Confident | 84.9 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.9 | 176.7 | -56.7 | 169.4 | 0 | 0 | 0 | 107.8 | F1053 L1054 I1055 L1270 I1272 F1317 | I1012-F1053 HydrophobicContact CG2-CB 4.37Å; I1012-F1053 HydrophobicContact CG2-CD1 4.03Å; I1012-L1054 CarbonylContact C-O 3.52Å; I1012-L1054 WeakPolarHBondContact CA-O 3.38Å; I1012-I1055 HydrophobicContact CG1-CG2 4.39Å; I1012-L1270 HydrophobicContact CD1-CD2 4.15Å; I1012-L1270 HydrophobicContact CD1-CG 4.24Å; I1012-L1270 HydrophobicContact CG2-CD2 3.99Å; I1012-I1272 HydrophobicContact CD1-CG1 4.38Å; I1012-F1317 HydrophobicContact CB-CB 3.79Å; I1012-F1317 HydrophobicContact CB-CG 4.28Å; I1012-F1317 HydrophobicContact CG2-CB 3.53Å; I1012-F1317 HydrophobicContact CG2-CD1 4.12Å; I1012-F1317 HydrophobicContact CG2-CG 3.85Å; I1012-F1317 WeakPolarHBondContact O-CD2 3.25Å |
| 1013 | F | 89.1 | Confident | 84.9 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 37% | 0.373 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 164.2 | 180 | -48.4 | -84.7 | 0 | 0 | 0 | 111 | N1011 F1053 L1054 E1056 | N1011-F1013 HydrophobicContact CB-CE1 4.42Å; N1011-F1013 HydrophobicContact CB-CE2 3.73Å; N1011-F1013 HydrophobicContact CB-CZ 3.65Å; F1013-F1053 WeakPolarHBondContact O-CA 3.38Å; F1013-L1054 HydrophobicContact CB-CB 4.31Å; F1013-L1054 PolarHBondContact N-O 2.95Å; F1013-L1054 PolarHBondContact O-N 3.23Å; F1013-E1056 HydrophobicContact CE2-CB 4.02Å; F1013-E1056 WeakPolarHBondContact CE2-OE2 3.44Å |
| 1014 | A | 87.2 | Confident | 84.9 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 138.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1317 L1319 | A1014-F1317 HydrophobicContact CB-CE1 3.86Å; A1014-F1317 HydrophobicContact CB-CZ 3.83Å; A1014-F1317 VanDerWaalsContact N-CZ 3.28Å; A1014-L1319 HydrophobicContact CB-CD1 4.25Å; A1014-L1319 HydrophobicContact CB-CG 4.3Å |
| 1015 | G | 84.4 | Confident | 84.9 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | trans | -86.7 | -162.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1017 T1052 | G1015-Q1017 VanDerWaalsContact O-CD 3.3Å; G1015-Q1017 PolarHBondContact O-NE2 2.9Å; G1015-Q1017 PolarHBondContact O-OE1 3.13Å; G1015-T1052 PolarHBondContact N-O 2.9Å | ||
| 1016 | I | 80.7 | Confident | 84.7 | Confident | 156 Ų | 156 | 61.8 Ų | 61.8 | 80% | 0.8 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -84.5 | 118.1 | 179.8 | -54.9 | 171.8 | 0 | 0 | 0 | 110.1 | ||
| 1017 | Q | 78.5 | Confident | 84.3 | Confident | 45 Ų | 45 | 69.1 Ų | 69.1 | 21% | 0.21 | 37% | 0.37 | C | S | . | . | trans | -154.1 | 154.3 | 167.1 | 60.2 | -75.4 | -49.9 | 0 | 0 | 110 | G1015 E1050 T1052 L1319 | G1015-Q1017 VanDerWaalsContact O-CD 3.3Å; G1015-Q1017 PolarHBondContact O-NE2 2.9Å; G1015-Q1017 PolarHBondContact O-OE1 3.13Å; Q1017-E1050 VanDerWaalsContact CB-O 3.26Å; Q1017-E1050 WeakPolarHBondContact CB-O 3.31Å; Q1017-T1052 VanDerWaalsContact OE1-N 3.15Å; Q1017-T1052 PolarHBondContact OE1-O 2.89Å; Q1017-L1319 HydrophobicContact CG-CD2 3.96Å | ||
| 1018 | P | 80.4 | Confident | 84.1 | Confident | 77 Ų | 77 | 65.4 Ų | 65.4 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | trans | -64 | 138.2 | 176.4 | 25.7 | -33.8 | 0 | 0 | 0 | 111.4 | I1021 Q1321 | P1018-I1021 HydrophobicContact CG-CG1 4.26Å; P1018-Q1321 PolarHBondContact O-NE2 3.43Å | ||
| 1019 | S | 79.8 | Confident | 83.8 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 62% | 0.622 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -72.2 | -29.5 | 179.2 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | S1322 | S1019-S1322 PolarHBondContact O-N 2.99Š|
| 1020 | T | 85.1 | Confident | 83.3 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134.4 | 179 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | S1322 | T1020-S1322 CarbonylContact C-O 3.57Å; T1020-S1322 VanDerWaalsContact CA-O 3.3Å; T1020-S1322 WeakPolarHBondContact CA-O 3.22Å |
| 1021 | I | 85.8 | Confident | 82.6 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.1 | 167.6 | -60.4 | 179.1 | 0 | 0 | 0 | 107.6 | P1018 P1047 R1048 Q1321 S1322 I1323 I1324 | P1018-I1021 HydrophobicContact CG-CG1 4.26Å; I1021-P1047 HydrophobicContact CG2-CB 3.91Å; I1021-R1048 WeakPolarHBondContact CD1-O 3.36Å; I1021-Q1321 HydrophobicContact CD1-CG 4.45Å; I1021-Q1321 HydrophobicContact CG1-CG 4.42Å; I1021-S1322 PolarHBondContact N-O 3.03Å; I1021-I1323 HydrophobicContact CB-CG1 4.28Å; I1021-I1323 CarbonylContact O-C 3.52Å; I1021-I1323 VanDerWaalsContact O-CA 3.29Å; I1021-I1323 WeakPolarHBondContact O-CA 3.18Å; I1021-I1324 PolarHBondContact O-N 2.92Å |
| 1022 | I | 84.7 | Confident | 81.6 | Confident | 93 Ų | 93 | 71.9 Ų | 71.9 | 48% | 0.477 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129 | 175.1 | -63.4 | 177.1 | 0 | 0 | 0 | 107.2 | D1024 H1326 | I1022-D1024 WeakPolarHBondContact CG2-OD1 3.41Å; I1022-H1326 WeakPolarHBondContact CG2-CE1 3.38Å; I1022-H1326 VanDerWaalsContact CG2-ND1 3.29Å; I1022-H1326 WeakPolarHBondContact CG2-ND1 3.46Å |
| 1023 | D | 83.8 | Confident | 80.4 | Confident | 17 Ų | 17 | 77.8 Ų | 77.8 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 112.9 | 175.3 | -169.5 | -50.6 | 0 | 0 | 0 | 109.7 | R1025 P1047 I1324 F1325 H1326 | D1023-R1025 VanDerWaalsContact C-N 3.31Å; D1023-R1025 PolarHBondContact O-N 3.07Å; D1023-R1025 VanDerWaalsContact OD1-CB 3.27Å; D1023-R1025 WeakPolarHBondContact OD1-CB 2.96Å; D1023-R1025 WeakPolarHBondContact OD1-CG 3.48Å; D1023-R1025 IonicContact OD1-CZ 3.25Å; D1023-R1025 PolarHBondContact OD1-N 2.68Å; D1023-R1025 IonicContact OD1-NE 2.92Å; D1023-R1025 PolarHBondContact OD1-NE 2.71Å; D1023-R1025 IonicContact OD1-NH2 2.67Å; D1023-R1025 IonicContact OD2-CZ 2.93Å; D1023-R1025 VanDerWaalsContact OD2-CZ 3.28Å; D1023-R1025 IonicContact OD2-NE 2.73Å; D1023-R1025 PolarHBondContact OD2-NE 3.41Å; D1023-R1025 IonicContact OD2-NH2 2.79Å; D1023-R1025 PolarHBondContact OD2-NH2 3.05Å; D1023-P1047 HydrophobicContact CB-CB 4.31Å; D1023-P1047 HydrophobicContact CB-CG 4.25Å; D1023-P1047 WeakPolarHBondContact OD2-CD 3.36Å; D1023-I1324 PolarHBondContact N-O 3.18Å; D1023-F1325 HydrophobicContact CB-CD1 3.68Å; D1023-F1325 HydrophobicContact CB-CE1 3.85Å; D1023-H1326 PolarHBondContact O-N 3Å |
| 1024 | D | 82.5 | Confident | 79 | Confident | 113 Ų | 113 | 77.2 Ų | 77.2 | 60% | 0.604 | 41% | 0.409 | S | S | * | . | trans | -86.7 | 8.8 | -173.5 | -63.1 | -33.9 | 0 | 0 | 0 | 113.9 | I1022 L1026 H1326 | I1022-D1024 WeakPolarHBondContact CG2-OD1 3.41Å; D1024-L1026 PolarHBondContact O-N 2.72Å; D1024-H1326 IonicContact OD1-CE1 3.2Å; D1024-H1326 IonicContact OD1-CG 3.01Å; D1024-H1326 IonicContact OD1-ND1 3.63Å; D1024-H1326 PolarHBondContact OD1-ND1 2.67Å | ||
| 1025 | R | 83.8 | Confident | 77.5 | Confident | 43 Ų | 43 | 80.8 Ų | 80.8 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | trans | -62.3 | 137.2 | 178 | 79.5 | -172.5 | 63.2 | -136 | -16.1 | 110.6 | D1023 Y1043 D1044 G1046 S1253 F1257 F1325 G1327 | D1023-R1025 VanDerWaalsContact C-N 3.31Å; D1023-R1025 PolarHBondContact O-N 3.07Å; D1023-R1025 VanDerWaalsContact OD1-CB 3.27Å; D1023-R1025 WeakPolarHBondContact OD1-CB 2.96Å; D1023-R1025 WeakPolarHBondContact OD1-CG 3.48Å; D1023-R1025 IonicContact OD1-CZ 3.25Å; D1023-R1025 PolarHBondContact OD1-N 2.68Å; D1023-R1025 IonicContact OD1-NE 2.92Å; D1023-R1025 PolarHBondContact OD1-NE 2.71Å; D1023-R1025 IonicContact OD1-NH2 2.67Å; D1023-R1025 IonicContact OD2-CZ 2.93Å; D1023-R1025 VanDerWaalsContact OD2-CZ 3.28Å; D1023-R1025 IonicContact OD2-NE 2.73Å; D1023-R1025 PolarHBondContact OD2-NE 3.41Å; D1023-R1025 IonicContact OD2-NH2 2.79Å; D1023-R1025 PolarHBondContact OD2-NH2 3.05Å; R1025-Y1043 PolarHBondContact NH1-O 3.07Å; R1025-Y1043 PolarHBondContact NH2-O 3.18Å; R1025-D1044 PolarHBondContact NH1-O 2.88Å; R1025-G1046 VanDerWaalsContact NH2-CA 3.26Å; R1025-S1253 PolarHBondContact NH1-OG 3.02Å; R1025-S1253 VanDerWaalsContact NH1-OG 3.1Å; R1025-F1257 HydrophobicContact CG-CE1 4.48Å; R1025-F1257 HydrophobicContact CG-CE2 3.58Å; R1025-F1257 HydrophobicContact CG-CZ 3.46Å; R1025-F1257 VanDerWaalsContact CG-CZ 3.46Å; R1025-F1257 WeakPolarHBondContact O-CZ 3.48Å; R1025-F1325 HydrophobicContact CG-CD1 4.47Å; R1025-G1327 VanDerWaalsContact O-CA 3.29Å; R1025-G1327 WeakPolarHBondContact O-CA 3.42Å; R1025-G1327 PolarHBondContact O-N 3.35Å | ||
| 1026 | L | 80.3 | Confident | 76.1 | Confident | 136 Ų | 136 | 87.5 Ų | 87.5 | 71% | 0.712 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -88.6 | -29.2 | 178.1 | -63 | 179 | 0 | 0 | 0 | 112.5 | D1024 F1257 | D1024-L1026 PolarHBondContact O-N 2.72Å; L1026-F1257 WeakPolarHBondContact O-CE1 3.27Å |
| 1027 | E | 79.5 | Confident | 75 | Confident | 159 Ų | 159 | 82.2 Ų | 82.2 | 74% | 0.743 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -141.8 | 152.5 | 179.5 | -64.5 | -175.4 | 163.2 | 0 | 0 | 109 | ||
| 1028 | P | 80.8 | Confident | 74.8 | Confident | 30 Ų | 30 | 87.7 Ų | 87.7 | 20% | 0.195 | 46% | 0.455 | C | S | . | . | trans | -79.9 | 149.4 | 175.5 | 34.2 | -34.3 | 0 | 0 | 0 | 111.4 | M1030 E1254 F1257 | P1028-M1030 HydrophobicContact CG-SD 4.08Å; P1028-M1030 PolarHBondContact O-N 3.19Å; P1028-E1254 HydrophobicContact CB-CB 4.09Å; P1028-E1254 HydrophobicContact CB-CG 4.46Å; P1028-E1254 HydrophobicContact CG-CG 4.49Å; P1028-F1257 HydrophobicContact CB-CB 4.32Å; P1028-F1257 HydrophobicContact CB-CD2 4.38Å; P1028-F1257 HydrophobicContact CB-CG 4.29Å; P1028-F1257 HydrophobicContact CG-CB 3.87Å; P1028-F1257 HydrophobicContact CG-CG 4.13Å | ||
| 1029 | Y | 80.5 | Confident | 74.8 | Confident | 85 Ų | 85 | 90.1 Ų | 90.1 | 33% | 0.333 | 46% | 0.458 | S | S | . | . | trans | -79.2 | 118.2 | 169.9 | -172.2 | -98.8 | 0 | 0 | 0 | 109.7 | I1031 I1040 D1044 | Y1029-I1031 HydrophobicContact CD1-CG1 3.65Å; Y1029-I1031 HydrophobicContact CE1-CG1 4.16Å; Y1029-I1031 PolarHBondContact O-N 3.46Å; Y1029-I1040 HydrophobicContact CE1-CD1 4.47Å; Y1029-D1044 HydrophobicContact CD1-CB 4.12Å; Y1029-D1044 HydrophobicContact CG-CB 4.14Å | ||
| 1030 | M | 76.4 | Confident | 74.9 | Confident | 66 Ų | 66 | 86.2 Ų | 86.2 | 33% | 0.325 | 43% | 0.43 | S | S | . | . | trans | -79.4 | 81.2 | -172.5 | -60.4 | -59.8 | -63.5 | 0 | 0 | 112 | P1028 Q1033 E1254 | P1028-M1030 HydrophobicContact CG-SD 4.08Å; P1028-M1030 PolarHBondContact O-N 3.19Å; M1030-Q1033 HydrophobicContact CB-CB 4.38Å; M1030-Q1033 HydrophobicContact CE-CG 4.43Å; M1030-E1254 HydrophobicContact CE-CG 4.21Å; M1030-E1254 WeakPolarHBondContact CE-OE1 3.33Å; M1030-E1254 HydrophobicContact SD-CG 3.96Å | ||
| 1031 | I | 73.9 | Confident | 74.9 | Confident | 16 Ų | 16 | 85.6 Ų | 85.6 | 8% | 0.082 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -65.2 | -44.6 | -174.9 | -63.1 | 172.9 | 0 | 0 | 0 | 112 | Y1029 Q1033 N1034 I1040 I1045 L1129 L1131 W1252 | Y1029-I1031 HydrophobicContact CD1-CG1 3.65Å; Y1029-I1031 HydrophobicContact CE1-CG1 4.16Å; Y1029-I1031 PolarHBondContact O-N 3.46Å; I1031-Q1033 PolarHBondContact O-N 3.29Å; I1031-Q1033 VanDerWaalsContact O-N 3.16Å; I1031-N1034 PolarHBondContact O-N 3.02Å; I1031-I1040 HydrophobicContact CD1-CD1 4.34Å; I1031-I1040 HydrophobicContact CG1-CD1 4.1Å; I1031-I1040 HydrophobicContact CG2-CD1 3.88Å; I1031-I1045 HydrophobicContact CD1-CB 4.47Å; I1031-I1045 HydrophobicContact CD1-CG1 3.77Å; I1031-L1129 HydrophobicContact CG2-CD1 4.38Å; I1031-L1131 HydrophobicContact CG2-CD1 4.31Å; I1031-W1252 HydrophobicContact CB-CH2 4.06Å; I1031-W1252 HydrophobicContact CB-CZ2 4.09Å; I1031-W1252 HydrophobicContact CD1-CH2 3.59Å; I1031-W1252 HydrophobicContact CD1-CZ2 4.12Å; I1031-W1252 HydrophobicContact CD1-CZ3 4.06Å; I1031-W1252 HydrophobicContact CG1-CH2 4.37Å; I1031-W1252 HydrophobicContact CG2-CH2 4.11Å |
| 1032 | E | 66.5 | Low | 74.8 | Confident | 115 Ų | 115 | 84.6 Ų | 84.6 | 54% | 0.537 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -67.2 | -17.7 | -174.9 | -61.9 | -161.5 | 142.1 | 0 | 0 | 113.9 | R1081 | E1032-R1081 IonicContact OE1-CZ 2.86Å; E1032-R1081 VanDerWaalsContact OE1-CZ 3.25Å; E1032-R1081 IonicContact OE1-NH1 3.67Å; E1032-R1081 PolarHBondContact OE1-NH1 3.01Å; E1032-R1081 IonicContact OE1-NH2 2.66Å; E1032-R1081 PolarHBondContact OE1-NH2 2.63Å |
| 1033 | Q | 63.9 | Low | 74.8 | Confident | 144 Ų | 144 | 85.3 Ų | 85.3 | 67% | 0.673 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -93.9 | -3.8 | -177.5 | -63.6 | -175.5 | -8.2 | 0 | 0 | 113.5 | M1030 I1031 P1035 | M1030-Q1033 HydrophobicContact CB-CB 4.38Å; M1030-Q1033 HydrophobicContact CE-CG 4.43Å; I1031-Q1033 PolarHBondContact O-N 3.29Å; I1031-Q1033 VanDerWaalsContact O-N 3.16Å; Q1033-P1035 WeakPolarHBondContact O-CD 3.43Å |
| 1034 | N | 59.9 | Low | 74.9 | Confident | 74 Ų | 74 | 85.5 Ų | 85.5 | 40% | 0.396 | 42% | 0.415 | S | S | . | . | trans | -125.5 | 75.6 | -167.1 | -141.4 | -3.8 | 0 | 0 | 0 | 112.4 | I1031 I1036 | I1031-N1034 PolarHBondContact O-N 3.02Å; N1034-I1036 PolarHBondContact O-N 3.02Å | ||
| 1035 | P | 56.6 | Low | 75.1 | Confident | 121 Ų | 121 | 80.2 Ų | 80.2 | 79% | 0.786 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 1.9 | -170.8 | 28.6 | -36.4 | 0 | 0 | 0 | 115.3 | Q1033 | Q1033-P1035 WeakPolarHBondContact O-CD 3.43Š|
| 1036 | I | 54.7 | Low | 75.3 | Confident | 154 Ų | 154 | 78.3 Ų | 78.3 | 79% | 0.79 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -18.5 | -167.2 | -59.5 | 177.8 | 0 | 0 | 0 | 112.8 | N1034 | N1034-I1036 PolarHBondContact O-N 3.02Š|
| 1037 | S | 58.6 | Low | 75.8 | Confident | 45 Ų | 45 | 72.3 Ų | 72.3 | 32% | 0.315 | 35% | 0.349 | S | S | . | . | trans | -129 | 95.3 | -175.7 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | K1039 | S1037-K1039 PolarHBondContact O-N 2.87Š| ||
| 1038 | R | 72.3 | Confident | 76.2 | Confident | 160 Ų | 160 | 68.2 Ų | 68.2 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -68.4 | -5.7 | 168.8 | -67 | -175.6 | 175.8 | -144.2 | -7.2 | 114.4 | E1130 T1132 | R1038-E1130 IonicContact CZ-OE2 3.08Å; R1038-E1130 VanDerWaalsContact CZ-OE2 3.29Å; R1038-E1130 IonicContact NH1-OE2 2.71Å; R1038-E1130 PolarHBondContact NH1-OE2 2.92Å; R1038-E1130 IonicContact NH2-OE2 2.73Å; R1038-E1130 PolarHBondContact NH2-OE2 2.83Å; R1038-T1132 PolarHBondContact O-N 2.73Å |
| 1039 | K | 80.6 | Confident | 76.7 | Confident | 129 Ų | 129 | 66.8 Ų | 66.8 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 122.1 | 174.5 | -67.6 | 176 | -177.9 | 173.6 | 0 | 108.7 | S1037 T1132 M1134 | S1037-K1039 PolarHBondContact O-N 2.87Å; K1039-T1132 WeakPolarHBondContact CA-O 3.49Å; K1039-T1132 HydrophobicContact CG-CG2 4.3Å; K1039-M1134 HydrophobicContact CB-CE 4.15Å; K1039-M1134 HydrophobicContact CB-SD 4.4Å |
| 1040 | I | 83.1 | Confident | 77.1 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147.4 | -175.1 | -59.8 | -171.4 | 0 | 0 | 0 | 108.4 | Y1029 I1031 D1044 L1131 T1132 L1133 M1134 | Y1029-I1040 HydrophobicContact CE1-CD1 4.47Å; I1031-I1040 HydrophobicContact CD1-CD1 4.34Å; I1031-I1040 HydrophobicContact CG1-CD1 4.1Å; I1031-I1040 HydrophobicContact CG2-CD1 3.88Å; I1040-D1044 HydrophobicContact CG2-CB 3.68Å; I1040-L1131 HydrophobicContact CD1-CD1 4.12Å; I1040-L1131 HydrophobicContact CD1-CD2 3.73Å; I1040-L1131 HydrophobicContact CG1-CD2 4.3Å; I1040-T1132 PolarHBondContact N-O 2.74Å; I1040-L1133 WeakPolarHBondContact O-CA 3.5Å; I1040-M1134 PolarHBondContact O-N 3.13Å |
| 1041 | F | 84.3 | Confident | 77.9 | Confident | 63 Ų | 63 | 62 Ų | 62 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 146.6 | 175.2 | -62.8 | -84.1 | 0 | 0 | 0 | 110.6 | Y1043 D1044 M1134 F1136 | F1041-Y1043 HydrophobicContact CB-CD1 3.62Å; F1041-Y1043 HydrophobicContact CB-CE1 3.34Å; F1041-Y1043 HydrophobicContact CD1-CE1 4.35Å; F1041-Y1043 HydrophobicContact CD2-CE1 4.15Å; F1041-Y1043 HydrophobicContact CG-CD1 4.41Å; F1041-Y1043 AromaticContact CG-CE1 3.72Å; F1041-Y1043 HydrophobicContact CG-CE1 3.72Å; F1041-Y1043 PolarHBondContact O-N 3.26Å; F1041-Y1043 VanDerWaalsContact O-N 3.13Å; F1041-D1044 WeakPolarHBondContact CB-OD2 3.4Å; F1041-D1044 PolarHBondContact N-OD2 3.41Å; F1041-D1044 VanDerWaalsContact N-OD2 3.07Å; F1041-D1044 WeakPolarHBondContact O-CB 3.42Å; F1041-D1044 PolarHBondContact O-N 2.98Å; F1041-M1134 WeakPolarHBondContact CA-O 3.44Å; F1041-M1134 HydrophobicContact CD1-CB 4.1Å; F1041-M1134 HydrophobicContact CD1-CE 4.04Å; F1041-M1134 HydrophobicContact CD2-CE 4.42Å; F1041-M1134 HydrophobicContact CE1-CE 3.84Å; F1041-M1134 HydrophobicContact CE2-CE 4.23Å; F1041-M1134 HydrophobicContact CG-CE 4.32Å; F1041-M1134 HydrophobicContact CZ-CE 3.94Å; F1041-F1136 AromaticContact CD1-CD2 3.87Å; F1041-F1136 HydrophobicContact CD1-CD2 3.87Å; F1041-F1136 HydrophobicContact CD1-CE2 4.47Å; F1041-F1136 AromaticContact CE1-CD2 3.59Å; F1041-F1136 HydrophobicContact CE1-CD2 3.59Å; F1041-F1136 AromaticContact CE1-CE2 3.93Å; F1041-F1136 HydrophobicContact CE1-CE2 3.93Å |
| 1042 | S | 84.8 | Confident | 78.7 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 6% | 0.056 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -52 | -37.7 | -179.7 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | M1134 D1135 W1250 | S1042-M1134 PolarHBondContact N-O 3.37Å; S1042-D1135 WeakPolarHBondContact CB-OD1 3.47Å; S1042-D1135 PolarHBondContact OG-OD1 3.33Å; S1042-W1250 PolarHBondContact O-NE1 2.9Å |
| 1043 | Y | 84.4 | Confident | 80 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 42% | 0.42 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -74.1 | -23.2 | -178.5 | 76.6 | -98.1 | 0 | 0 | 0 | 114 | R1025 F1041 I1045 G1046 | R1025-Y1043 PolarHBondContact NH1-O 3.07Å; R1025-Y1043 PolarHBondContact NH2-O 3.18Å; F1041-Y1043 HydrophobicContact CB-CD1 3.62Å; F1041-Y1043 HydrophobicContact CB-CE1 3.34Å; F1041-Y1043 HydrophobicContact CD1-CE1 4.35Å; F1041-Y1043 HydrophobicContact CD2-CE1 4.15Å; F1041-Y1043 HydrophobicContact CG-CD1 4.41Å; F1041-Y1043 AromaticContact CG-CE1 3.72Å; F1041-Y1043 HydrophobicContact CG-CE1 3.72Å; F1041-Y1043 PolarHBondContact O-N 3.26Å; F1041-Y1043 VanDerWaalsContact O-N 3.13Å; Y1043-I1045 VanDerWaalsContact C-N 3.34Å; Y1043-I1045 PolarHBondContact O-N 2.93Å; Y1043-G1046 PolarHBondContact O-N 2.88Å |
| 1044 | D | 85.3 | Confident | 81.3 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -38.5 | -176.9 | -66.8 | -44.2 | 0 | 0 | 0 | 110.7 | R1025 Y1029 I1040 F1041 | R1025-D1044 PolarHBondContact NH1-O 2.88Å; Y1029-D1044 HydrophobicContact CD1-CB 4.12Å; Y1029-D1044 HydrophobicContact CG-CB 4.14Å; I1040-D1044 HydrophobicContact CG2-CB 3.68Å; F1041-D1044 WeakPolarHBondContact CB-OD2 3.4Å; F1041-D1044 PolarHBondContact N-OD2 3.41Å; F1041-D1044 VanDerWaalsContact N-OD2 3.07Å; F1041-D1044 WeakPolarHBondContact O-CB 3.42Å; F1041-D1044 PolarHBondContact O-N 2.98Å |
| 1045 | I | 87.6 | Confident | 82.8 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -50.4 | 177 | -62.9 | -175.8 | 0 | 0 | 0 | 111.1 | I1031 Y1043 Y1084 L1131 L1133 W1250 W1252 S1253 | I1031-I1045 HydrophobicContact CD1-CB 4.47Å; I1031-I1045 HydrophobicContact CD1-CG1 3.77Å; Y1043-I1045 VanDerWaalsContact C-N 3.34Å; Y1043-I1045 PolarHBondContact O-N 2.93Å; I1045-Y1084 HydrophobicContact CD1-CD1 3.63Å; I1045-Y1084 HydrophobicContact CD1-CE1 3.93Å; I1045-Y1084 HydrophobicContact CD1-CG 4.11Å; I1045-L1131 HydrophobicContact CD1-CD1 4.33Å; I1045-L1133 HydrophobicContact CD1-CD1 4Å; I1045-L1133 HydrophobicContact CD1-CD2 3.55Å; I1045-L1133 HydrophobicContact CD1-CG 4.34Å; I1045-L1133 HydrophobicContact CG1-CD2 4.26Å; I1045-W1250 HydrophobicContact CB-CB 4.3Å; I1045-W1250 HydrophobicContact CG2-CB 3.8Å; I1045-W1252 HydrophobicContact CG2-CE3 3.75Å; I1045-W1252 HydrophobicContact CG2-CZ3 3.99Å; I1045-S1253 VanDerWaalsContact O-CB 3.3Å; I1045-S1253 WeakPolarHBondContact O-CB 3.07Å; I1045-S1253 PolarHBondContact O-N 3.47Å; I1045-S1253 PolarHBondContact O-OG 3.38Å |
| 1046 | G | 88.2 | Confident | 84.4 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | trans | 162.1 | -175.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1025 Y1043 L1251 | R1025-G1046 VanDerWaalsContact NH2-CA 3.26Å; Y1043-G1046 PolarHBondContact O-N 2.88Å; G1046-L1251 VanDerWaalsContact CA-O 3.3Å; G1046-L1251 WeakPolarHBondContact CA-O 3.46Å | ||
| 1047 | P | 89.3 | Confident | 86.1 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 7% | 0.065 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 139.2 | 175.5 | 26.9 | -29.1 | 0 | 0 | 0 | 110.5 | I1021 D1023 W1250 L1251 I1323 F1325 | I1021-P1047 HydrophobicContact CG2-CB 3.91Å; D1023-P1047 HydrophobicContact CB-CB 4.31Å; D1023-P1047 HydrophobicContact CB-CG 4.25Å; D1023-P1047 WeakPolarHBondContact OD2-CD 3.36Å; P1047-W1250 WeakPolarHBondContact O-CA 3.48Å; P1047-L1251 HydrophobicContact CG-CB 4.08Å; P1047-L1251 HydrophobicContact CG-CD1 4.05Å; P1047-L1251 PolarHBondContact O-N 2.78Å; P1047-I1323 HydrophobicContact CG-CG2 3.93Å; P1047-F1325 HydrophobicContact CG-CE1 3.97Å; P1047-F1325 HydrophobicContact CG-CZ 3.84Å |
| 1048 | R | 89.4 | Confident | 87.3 | Confident | 73 Ų | 73 | 40 Ų | 40 | 28% | 0.275 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 120.6 | 178 | 179.4 | -176.3 | -179.2 | 147.5 | -3.1 | 110.1 | I1021 E1050 D1135 G1249 W1250 | I1021-R1048 WeakPolarHBondContact CD1-O 3.36Å; R1048-E1050 HydrophobicContact CG-CG 4.1Å; R1048-E1050 IonicContact CZ-OE1 3.04Å; R1048-E1050 IonicContact NE-OE1 2.68Å; R1048-E1050 PolarHBondContact NE-OE1 2.8Å; R1048-E1050 IonicContact NH2-OE1 2.76Å; R1048-E1050 PolarHBondContact NH2-OE1 2.85Å; R1048-D1135 IonicContact CZ-OD2 2.65Å; R1048-D1135 IonicContact NH1-OD1 3.95Å; R1048-D1135 IonicContact NH1-OD2 3.11Å; R1048-D1135 PolarHBondContact NH1-OD2 2.88Å; R1048-G1249 CarbonylContact C-O 3.49Å; R1048-G1249 WeakPolarHBondContact CA-O 3.34Å; R1048-W1250 HydrophobicContact CG-CZ2 4.39Å |
| 1049 | I | 90.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.3 | 167.9 | -64.2 | -175.4 | 0 | 0 | 0 | 108.4 | H1051 W1247 T1248 G1249 L1251 F1266 I1323 | I1049-H1051 VanDerWaalsContact CG2-CD2 3.49Å; I1049-H1051 WeakPolarHBondContact CG2-CD2 3.27Å; I1049-W1247 HydrophobicContact CB-CH2 4.15Å; I1049-W1247 HydrophobicContact CG2-CH2 3.49Å; I1049-W1247 VanDerWaalsContact CG2-CH2 3.49Å; I1049-W1247 HydrophobicContact CG2-CZ2 3.87Å; I1049-W1247 HydrophobicContact CG2-CZ3 4.21Å; I1049-T1248 WeakPolarHBondContact O-CA 3.25Å; I1049-G1249 PolarHBondContact N-O 2.95Å; I1049-G1249 PolarHBondContact O-N 2.8Å; I1049-L1251 HydrophobicContact CD1-CD1 3.87Å; I1049-L1251 HydrophobicContact CD1-CD2 3.92Å; I1049-L1251 HydrophobicContact CD1-CG 3.62Å; I1049-L1251 HydrophobicContact CG1-CD1 4.35Å; I1049-L1251 HydrophobicContact CG1-CG 4.17Å; I1049-F1266 HydrophobicContact CD1-CB 3.93Å; I1049-F1266 HydrophobicContact CD1-CD1 3.73Å; I1049-F1266 HydrophobicContact CD1-CD2 3.85Å; I1049-F1266 HydrophobicContact CD1-CE1 4.19Å; I1049-F1266 HydrophobicContact CD1-CE2 4.28Å; I1049-F1266 HydrophobicContact CD1-CG 3.54Å; I1049-F1266 HydrophobicContact CD1-CZ 4.44Å; I1049-I1323 HydrophobicContact CD1-CD1 4.38Å |
| 1050 | E | 89.9 | Confident | 87.5 | Confident | 51 Ų | 51 | 32.5 Ų | 32.5 | 24% | 0.238 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 115.5 | 164.7 | -54.6 | -152.8 | 141.6 | 0 | 0 | 108.8 | Q1017 R1048 K1246 T1248 | Q1017-E1050 VanDerWaalsContact CB-O 3.26Å; Q1017-E1050 WeakPolarHBondContact CB-O 3.31Å; R1048-E1050 HydrophobicContact CG-CG 4.1Å; R1048-E1050 IonicContact CZ-OE1 3.04Å; R1048-E1050 IonicContact NE-OE1 2.68Å; R1048-E1050 PolarHBondContact NE-OE1 2.8Å; R1048-E1050 IonicContact NH2-OE1 2.76Å; R1048-E1050 PolarHBondContact NH2-OE1 2.85Å; E1050-K1246 VanDerWaalsContact CD-NZ 3.29Å; E1050-K1246 IonicContact OE1-NZ 2.66Å; E1050-K1246 PolarHBondContact OE1-NZ 3.19Å; E1050-K1246 WeakPolarHBondContact OE2-CE 3.29Å; E1050-K1246 IonicContact OE2-NZ 3.08Å; E1050-K1246 PolarHBondContact OE2-NZ 2.89Å; E1050-T1248 HydrophobicContact CB-CG2 4.39Å; E1050-T1248 HydrophobicContact CG-CG2 3.84Å; E1050-T1248 VanDerWaalsContact OE1-CG2 3.24Å; E1050-T1248 WeakPolarHBondContact OE1-CG2 3.31Å |
| 1051 | H | 92.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.4 | 176.5 | -79.7 | -168.6 | 0 | 0 | 0 | 109.1 | I1049 W1247 F1266 S1268 L1319 Q1321 | I1049-H1051 VanDerWaalsContact CG2-CD2 3.49Å; I1049-H1051 WeakPolarHBondContact CG2-CD2 3.27Å; H1051-W1247 HydrophobicContact CB-CZ2 3.96Å; H1051-W1247 AromaticContact CG-CZ2 3.9Å; H1051-W1247 PolarHBondContact N-O 3.42Å; H1051-W1247 AromaticContact ND1-CZ2 3.78Å; H1051-W1247 PolarHBondContact O-N 2.81Å; H1051-F1266 AromaticContact CE1-CD1 3.93Å; H1051-S1268 PolarHBondContact ND1-OG 2.82Å; H1051-L1319 HydrophobicContact CB-CD1 4.16Å; H1051-Q1321 VanDerWaalsContact NE2-CB 3.28Å; H1051-Q1321 WeakPolarHBondContact NE2-CB 3.24Å; H1051-Q1321 PolarHBondContact NE2-OE1 3.2Å |
| 1052 | T | 92 | Very high | 87.3 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128.8 | 177.4 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | G1015 Q1017 R1244 L1245 L1319 | G1015-T1052 PolarHBondContact N-O 2.9Å; Q1017-T1052 VanDerWaalsContact OE1-N 3.15Å; Q1017-T1052 PolarHBondContact OE1-O 2.89Å; T1052-R1244 HydrophobicContact CG2-CG 3.47Å; T1052-R1244 VanDerWaalsContact CG2-CG 3.47Å; T1052-R1244 PolarHBondContact OG1-NH2 2.8Å; T1052-L1245 WeakPolarHBondContact CA-O 3.45Å; T1052-L1319 WeakPolarHBondContact O-CD1 3.47Å |
| 1053 | F | 92.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 141.2 | 165.8 | -58.4 | -97.6 | 0 | 0 | 0 | 109.3 | I1012 F1013 L1070 R1244 L1245 W1247 S1268 L1270 F1317 L1319 | I1012-F1053 HydrophobicContact CG2-CB 4.37Å; I1012-F1053 HydrophobicContact CG2-CD1 4.03Å; F1013-F1053 WeakPolarHBondContact O-CA 3.38Å; F1053-L1070 HydrophobicContact CE2-CD1 3.61Å; F1053-L1070 HydrophobicContact CZ-CD1 3.91Å; F1053-R1244 WeakPolarHBondContact O-CA 3.49Å; F1053-L1245 HydrophobicContact CB-CB 4.38Å; F1053-L1245 HydrophobicContact CD2-CD2 4.1Å; F1053-L1245 PolarHBondContact N-O 3.21Å; F1053-L1245 PolarHBondContact O-N 2.91Å; F1053-W1247 AromaticContact CE2-NE1 3.98Å; F1053-S1268 WeakPolarHBondContact CZ-OG 3.02Å; F1053-L1270 HydrophobicContact CB-CD2 3.86Å; F1053-L1270 HydrophobicContact CD1-CB 3.79Å; F1053-L1270 HydrophobicContact CD1-CD2 3.97Å; F1053-L1270 HydrophobicContact CD2-CD2 4.38Å; F1053-L1270 HydrophobicContact CE1-CB 3.59Å; F1053-L1270 HydrophobicContact CE2-CB 4.46Å; F1053-L1270 HydrophobicContact CG-CB 4.29Å; F1053-L1270 HydrophobicContact CG-CD2 3.83Å; F1053-L1270 HydrophobicContact CZ-CB 3.95Å; F1053-F1317 AromaticContact CD1-CD1 3.87Å; F1053-F1317 HydrophobicContact CD1-CD1 3.87Å; F1053-F1317 HydrophobicContact CD1-CE1 4.5Å; F1053-F1317 AromaticContact CE1-CD1 3.93Å; F1053-F1317 HydrophobicContact CE1-CD1 3.93Å; F1053-L1319 HydrophobicContact CE1-CB 3.96Å; F1053-L1319 HydrophobicContact CE1-CD1 4.48Å; F1053-L1319 HydrophobicContact CZ-CB 4.09Å |
| 1054 | L | 91.3 | Very high | 87.4 | Confident | 73 Ų | 73 | 28 Ų | 28 | 38% | 0.382 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.3 | 169.1 | -62 | 173.5 | 0 | 0 | 0 | 107.5 | I1012 F1013 R1244 | I1012-L1054 CarbonylContact C-O 3.52Å; I1012-L1054 WeakPolarHBondContact CA-O 3.38Å; F1013-L1054 HydrophobicContact CB-CB 4.31Å; F1013-L1054 PolarHBondContact N-O 2.95Å; F1013-L1054 PolarHBondContact O-N 3.23Å; L1054-R1244 HydrophobicContact CD2-CB 4.21Å; L1054-R1244 HydrophobicContact CD2-CG 4.21Å |
| 1055 | I | 91.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.9 | -175.4 | -48.4 | 178.1 | 0 | 0 | 0 | 107.1 | V1010 N1011 I1012 L1068 I1234 F1237 T1242 V1243 L1245 L1270 | V1010-I1055 HydrophobicContact CG1-CG2 3.64Å; N1011-I1055 WeakPolarHBondContact O-CA 3.49Å; I1012-I1055 HydrophobicContact CG1-CG2 4.39Å; I1055-L1068 HydrophobicContact CD1-CD1 3.53Å; I1055-I1234 HydrophobicContact CD1-CD1 4.35Å; I1055-F1237 HydrophobicContact CB-CZ 4.39Å; I1055-F1237 HydrophobicContact CG2-CE1 3.96Å; I1055-F1237 HydrophobicContact CG2-CZ 3.88Å; I1055-F1237 WeakPolarHBondContact O-CZ 3.09Å; I1055-T1242 WeakPolarHBondContact O-CA 3.39Å; I1055-V1243 PolarHBondContact N-O 3.44Å; I1055-V1243 PolarHBondContact O-N 2.85Å; I1055-L1245 HydrophobicContact CD1-CB 4.33Å; I1055-L1245 HydrophobicContact CD1-CD1 4.5Å; I1055-L1270 HydrophobicContact CD1-CD2 3.81Å; I1055-L1270 HydrophobicContact CG1-CD2 4.26Å |
| 1056 | E | 90.5 | Very high | 87.6 | Confident | 51 Ų | 51 | 30.2 Ų | 30.2 | 24% | 0.238 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131.9 | -175.8 | -177.5 | -175.7 | -154 | 0 | 0 | 110.8 | V1010 N1011 F1013 Q1058 T1242 | V1010-E1056 WeakPolarHBondContact CA-O 3.48Å; N1011-E1056 PolarHBondContact N-O 2.87Å; N1011-E1056 PolarHBondContact O-N 3.39Å; F1013-E1056 HydrophobicContact CE2-CB 4.02Å; F1013-E1056 WeakPolarHBondContact CE2-OE2 3.44Å; E1056-Q1058 HydrophobicContact CG-CG 3.88Å; E1056-Q1058 PolarHBondContact O-N 2.94Å; E1056-Q1058 VanDerWaalsContact OE2-CG 3.31Å; E1056-Q1058 WeakPolarHBondContact OE2-CG 3.47Å; E1056-Q1058 PolarHBondContact OE2-NE2 2.99Å; E1056-T1242 HydrophobicContact CB-CG2 4.08Å; E1056-T1242 HydrophobicContact CG-CG2 3.86Å |
| 1057 | N | 89 | Confident | 87.7 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -88.7 | 88.4 | 169.3 | -174.5 | 6.8 | 0 | 0 | 0 | 110.5 | M1009 G1059 I1061 F1237 K1238 G1240 D1241 | M1009-N1057 PolarHBondContact O-OD1 2.87Å; M1009-N1057 VanDerWaalsContact O-OD1 3.05Å; N1057-G1059 PolarHBondContact O-N 2.78Å; N1057-G1059 PolarHBondContact OD1-N 3.37Å; N1057-G1059 VanDerWaalsContact OD1-N 3.12Å; N1057-G1059 PolarHBondContact OD1-O 3.04Å; N1057-I1061 PolarHBondContact ND2-O 2.84Å; N1057-F1237 HydrophobicContact CB-CD1 3.78Å; N1057-F1237 HydrophobicContact CB-CD2 4.48Å; N1057-F1237 HydrophobicContact CB-CE1 3.64Å; N1057-F1237 HydrophobicContact CB-CE2 4.34Å; N1057-F1237 HydrophobicContact CB-CG 4.2Å; N1057-F1237 HydrophobicContact CB-CZ 3.93Å; N1057-F1237 VanDerWaalsContact N-CZ 3.31Å; N1057-F1237 PolarHBondContact ND2-O 3.29Å; N1057-K1238 WeakPolarHBondContact CB-O 3.42Å; N1057-K1238 PolarHBondContact ND2-O 3.4Å; N1057-G1240 PolarHBondContact O-N 3.06Å; N1057-D1241 PolarHBondContact N-O 3.13Å | ||
| 1058 | Q | 84.5 | Confident | 87.9 | Confident | 81 Ų | 81 | 29.8 Ų | 29.8 | 38% | 0.379 | 15% | 0.145 | S | C | . | . | trans | -73.5 | -15.3 | 173.7 | -66.1 | -164.5 | -6.3 | 0 | 0 | 112.9 | M1009 N1011 E1056 | M1009-Q1058 PolarHBondContact O-N 2.66Å; N1011-Q1058 PolarHBondContact ND2-NE2 2.78Å; N1011-Q1058 VanDerWaalsContact ND2-NE2 3.18Å; N1011-Q1058 PolarHBondContact ND2-OE1 2.91Å; E1056-Q1058 HydrophobicContact CG-CG 3.88Å; E1056-Q1058 PolarHBondContact O-N 2.94Å; E1056-Q1058 VanDerWaalsContact OE2-CG 3.31Å; E1056-Q1058 WeakPolarHBondContact OE2-CG 3.47Å; E1056-Q1058 PolarHBondContact OE2-NE2 2.99Å | ||
| 1059 | G | 79 | Confident | 88 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -70.9 | 146.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1009 N1057 I1061 H1239 | M1009-G1059 PolarHBondContact O-N 3.24Å; N1057-G1059 PolarHBondContact O-N 2.78Å; N1057-G1059 PolarHBondContact OD1-N 3.37Å; N1057-G1059 VanDerWaalsContact OD1-N 3.12Å; N1057-G1059 PolarHBondContact OD1-O 3.04Å; G1059-I1061 PolarHBondContact O-N 3.41Å; G1059-H1239 WeakPolarHBondContact O-CB 3.4Å; G1059-H1239 PolarHBondContact O-ND1 3.46Å |
| 1060 | W | 78.1 | Confident | 88.1 | Confident | 126 Ų | 126 | 27.8 Ų | 27.8 | 48% | 0.477 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -69.8 | -6.4 | 174.1 | -58.8 | 94.5 | 0 | 0 | 0 | 113.8 | G832 H833 P834 H1239 | G832-W1060 WeakPolarHBondContact O-CB 3.35Å; H833-W1060 AromaticContact CD2-CD1 3.45Å; H833-W1060 VanDerWaalsContact CD2-CD1 3.45Å; H833-W1060 AromaticContact CD2-NE1 3.43Å; H833-W1060 PolarHBondContact CD2-NE1 2.82Å; H833-W1060 AromaticContact NE2-CD1 3.9Å; H833-W1060 AromaticContact NE2-NE1 3.35Å; H833-W1060 PolarHBondContact NE2-NE1 2.81Å; P834-W1060 HydrophobicContact CG-CD2 4.28Å; P834-W1060 HydrophobicContact CG-CE3 3.84Å; P834-W1060 HydrophobicContact CG-CH2 4.23Å; P834-W1060 HydrophobicContact CG-CZ3 3.82Å; W1060-H1239 AromaticContact CE3-NE2 3.83Å; W1060-H1239 AromaticContact CZ3-NE2 3.84Å |
| 1061 | I | 82.6 | Confident | 88.2 | Confident | 8 Ų | 8 | 26.2 Ų | 26.2 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -95.3 | 123.3 | -175.6 | -59 | 171.1 | 0 | 0 | 0 | 108.7 | Y831 F1006 N1057 G1059 L1063 | Y831-I1061 HydrophobicContact CD1-CD1 4.48Å; Y831-I1061 HydrophobicContact CD1-CG1 4.44Å; F1006-I1061 HydrophobicContact CD2-CD1 3.9Å; F1006-I1061 HydrophobicContact CE2-CD1 3.89Å; F1006-I1061 HydrophobicContact CE2-CG2 3.7Å; F1006-I1061 HydrophobicContact CZ-CD1 4.49Å; F1006-I1061 HydrophobicContact CZ-CG2 4.15Å; N1057-I1061 PolarHBondContact ND2-O 2.84Å; G1059-I1061 PolarHBondContact O-N 3.41Å; I1061-L1063 HydrophobicContact CG2-CD2 4.3Å |
| 1062 | A | 81.4 | Confident | 88.2 | Confident | 29 Ų | 29 | 26.2 Ų | 26.2 | 24% | 0.24 | 13% | 0.132 | C | C | . | . | trans | -71.4 | 132.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K1238 | A1062-K1238 HydrophobicContact CB-CG 4.49Š| ||
| 1063 | L | 85.6 | Confident | 88.2 | Confident | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 145.7 | -179.1 | -59.2 | 170.7 | 0 | 0 | 0 | 111.1 | P1008 V1010 I1061 F1237 W1275 | P1008-L1063 HydrophobicContact CB-CD1 4.42Å; P1008-L1063 HydrophobicContact CB-CD2 3.85Å; V1010-L1063 HydrophobicContact CG2-CD1 3.52Å; I1061-L1063 HydrophobicContact CG2-CD2 4.3Å; L1063-F1237 PolarHBondContact N-O 3.43Å; L1063-F1237 PolarHBondContact O-N 2.73Å; L1063-W1275 HydrophobicContact CD1-CE3 4.2Å; L1063-W1275 HydrophobicContact CD1-CZ3 4.43Å |
| 1064 | T | 85.8 | Confident | 88.1 | Confident | 47 Ų | 47 | 26.7 Ų | 26.7 | 29% | 0.288 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.6 | -179.7 | 37.9 | 0 | 0 | 0 | 0 | 110.5 | L1066 K1235 G1276 E1277 | T1064-L1066 PolarHBondContact O-N 2.9Å; T1064-K1235 WeakPolarHBondContact CA-O 3.26Å; T1064-G1276 CarbonylContact O-C 3.54Å; T1064-G1276 WeakPolarHBondContact O-CA 3.21Å; T1064-E1277 PolarHBondContact O-N 3.01Å |
| 1065 | N | 86.3 | Confident | 88 | Confident | 71 Ų | 71 | 24.8 Ų | 24.8 | 38% | 0.38 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.9 | 40.1 | -177.8 | -65 | -24 | 0 | 0 | 0 | 115 | S1067 I1234 K1235 G1276 E1277 | N1065-S1067 PolarHBondContact O-N 2.87Å; N1065-I1234 CarbonylContact C-O 3.54Å; N1065-I1234 VanDerWaalsContact CA-O 3.32Å; N1065-I1234 WeakPolarHBondContact CA-O 3.48Å; N1065-I1234 PolarHBondContact N-O 2.98Å; N1065-K1235 PolarHBondContact N-O 3.03Å; N1065-G1276 WeakPolarHBondContact O-CA 3.46Å; N1065-E1277 PolarHBondContact ND2-OE1 3.21Å |
| 1066 | L | 90.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 124.7 | 173.4 | 177.4 | 69.6 | 0 | 0 | 0 | 110.5 | V1010 T1064 H1233 I1234 F1237 I1272 | V1010-L1066 HydrophobicContact CG2-CD2 4.4Å; T1064-L1066 PolarHBondContact O-N 2.9Å; L1066-H1233 WeakPolarHBondContact O-CA 3.39Å; L1066-I1234 HydrophobicContact CB-CB 4.36Å; L1066-I1234 HydrophobicContact CD2-CD1 4.41Å; L1066-I1234 PolarHBondContact N-O 3.44Å; L1066-I1234 PolarHBondContact O-N 3Å; L1066-F1237 HydrophobicContact CD2-CD1 3.8Å; L1066-F1237 HydrophobicContact CD2-CE1 4.17Å; L1066-I1272 HydrophobicContact CD1-CG2 3.87Å |
| 1067 | S | 90.8 | Very high | 87.1 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 129.9 | 178.3 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | N1065 Q1231 D1273 N1274 | N1065-S1067 PolarHBondContact O-N 2.87Å; S1067-Q1231 PolarHBondContact OG-NE2 2.9Å; S1067-Q1231 VanDerWaalsContact OG-NE2 3.1Å; S1067-D1273 WeakPolarHBondContact CB-OD2 3.45Å; S1067-D1273 PolarHBondContact O-N 3.37Å; S1067-D1273 PolarHBondContact OG-OD2 2.72Å; S1067-N1274 PolarHBondContact N-O 2.03Å; S1067-N1274 PolarHBondContact O-N 2.98Å |
| 1068 | L | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 140.6 | 178.5 | -62.9 | 158.2 | 0 | 0 | 0 | 109.2 | I1055 C1232 I1234 L1270 N1271 I1272 | I1055-L1068 HydrophobicContact CD1-CD1 3.53Å; L1068-C1232 HydrophobicContact CB-CB 4.09Å; L1068-C1232 PolarHBondContact N-O 3.02Å; L1068-C1232 PolarHBondContact O-N 2.99Å; L1068-I1234 HydrophobicContact CD1-CD1 3.71Å; L1068-I1234 HydrophobicContact CD1-CG1 4.06Å; L1068-L1270 HydrophobicContact CB-CD1 4.16Å; L1068-N1271 CarbonylContact C-O 3.5Å; L1068-N1271 WeakPolarHBondContact CA-O 2.99Å; L1068-I1272 HydrophobicContact CD2-CG1 3.86Å |
| 1069 | I | 91.9 | Very high | 86.4 | Confident | 31 Ų | 31 | 29.2 Ų | 29.2 | 16% | 0.159 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.1 | 171.3 | -71.1 | 171.4 | 0 | 0 | 0 | 109.6 | Q1071 N1229 I1230 N1271 D1273 | I1069-Q1071 HydrophobicContact CG2-CG 3.87Å; I1069-N1229 HydrophobicContact CG2-CB 3.93Å; I1069-I1230 WeakPolarHBondContact CA-O 3.38Å; I1069-N1271 PolarHBondContact N-O 3.44Å; I1069-N1271 PolarHBondContact O-N 2.88Å; I1069-D1273 HydrophobicContact CB-CB 4.46Å; I1069-D1273 HydrophobicContact CD1-CB 3.69Å; I1069-D1273 VanDerWaalsContact CD1-OD1 3.31Å; I1069-D1273 WeakPolarHBondContact CD1-OD1 2.98Å; I1069-D1273 HydrophobicContact CG1-CB 3.73Å |
| 1070 | L | 92.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117 | 167.9 | 173.5 | 66.9 | 0 | 0 | 0 | 109.1 | F1053 L1072 I1230 L1245 W1247 L1270 | F1053-L1070 HydrophobicContact CE2-CD1 3.61Å; F1053-L1070 HydrophobicContact CZ-CD1 3.91Å; L1070-L1072 HydrophobicContact CD1-CD2 3.91Å; L1070-L1072 HydrophobicContact CD2-CD1 4.38Å; L1070-L1072 HydrophobicContact CD2-CD2 4.35Å; L1070-L1072 HydrophobicContact CD2-CG 4.45Å; L1070-L1072 HydrophobicContact CG-CD2 4.01Å; L1070-L1072 HydrophobicContact CG-CG 4.16Å; L1070-I1230 HydrophobicContact CB-CB 4.22Å; L1070-I1230 HydrophobicContact CD2-CD1 4.21Å; L1070-I1230 PolarHBondContact N-O 3.47Å; L1070-I1230 PolarHBondContact O-N 3.32Å; L1070-L1245 HydrophobicContact CD2-CD2 4.23Å; L1070-W1247 HydrophobicContact CD2-CB 4.21Å; L1070-W1247 HydrophobicContact CD2-CG 3.87Å; L1070-L1270 HydrophobicContact CB-CD1 3.95Å; L1070-L1270 HydrophobicContact CD1-CD1 4.46Å |
| 1071 | Q | 91.6 | Very high | 87.2 | Confident | 18 Ų | 18 | 28 Ų | 28 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 123.2 | 177.5 | -53.9 | -170.4 | -43.6 | 0 | 0 | 110.6 | I1069 C1206 I1228 R1269 | I1069-Q1071 HydrophobicContact CG2-CG 3.87Å; Q1071-C1206 HydrophobicContact CB-CB 4.21Å; Q1071-I1228 WeakPolarHBondContact CA-O 3.16Å; Q1071-R1269 HydrophobicContact CB-CB 4.35Å; Q1071-R1269 PolarHBondContact N-O 3Å; Q1071-R1269 PolarHBondContact O-N 3.07Å; Q1071-R1269 VanDerWaalsContact O-N 3.11Å |
| 1072 | L | 92.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.1 | 176.9 | -50.1 | 175.6 | 0 | 0 | 0 | 111.6 | L1070 Y1074 L1083 C1227 I1228 I1230 W1247 S1268 | L1070-L1072 HydrophobicContact CD1-CD2 3.91Å; L1070-L1072 HydrophobicContact CD2-CD1 4.38Å; L1070-L1072 HydrophobicContact CD2-CD2 4.35Å; L1070-L1072 HydrophobicContact CD2-CG 4.45Å; L1070-L1072 HydrophobicContact CG-CD2 4.01Å; L1070-L1072 HydrophobicContact CG-CG 4.16Å; L1072-Y1074 PolarHBondContact O-N 3.3Å; L1072-L1083 HydrophobicContact CB-CD2 4.09Å; L1072-L1083 HydrophobicContact CD1-CD2 3.94Å; L1072-C1227 VanDerWaalsContact O-CA 3.27Å; L1072-C1227 WeakPolarHBondContact O-CA 3.48Å; L1072-C1227 WeakPolarHBondContact O-CB 3.41Å; L1072-I1228 HydrophobicContact CB-CG2 3.69Å; L1072-I1228 HydrophobicContact CD1-CG2 4.4Å; L1072-I1228 HydrophobicContact CG-CG2 4.33Å; L1072-I1228 PolarHBondContact N-O 2.87Å; L1072-I1228 PolarHBondContact O-N 2.82Å; L1072-I1230 HydrophobicContact CD1-CD1 3.85Å; L1072-W1247 HydrophobicContact CD1-CD2 3.95Å; L1072-W1247 HydrophobicContact CD1-CE3 3.87Å; L1072-W1247 HydrophobicContact CD1-CH2 4.22Å; L1072-W1247 HydrophobicContact CD1-CZ2 4.28Å; L1072-W1247 HydrophobicContact CD1-CZ3 4Å; L1072-W1247 HydrophobicContact CD2-CD2 4.21Å; L1072-W1247 HydrophobicContact CD2-CH2 4.06Å; L1072-W1247 HydrophobicContact CD2-CZ2 3.47Å; L1072-W1247 VanDerWaalsContact CD2-CZ2 3.47Å; L1072-S1268 VanDerWaalsContact CD2-CB 3.42Å |
| 1073 | P | 91.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 117.8 | 163.8 | -25.3 | 34.8 | 0 | 0 | 0 | 111.3 | L1082 L1083 L1204 I1225 F1266 I1267 | P1073-L1082 HydrophobicContact CB-CD1 4.49Å; P1073-L1083 WeakPolarHBondContact O-CB 3.43Å; P1073-L1204 HydrophobicContact CB-CB 4.13Å; P1073-L1204 HydrophobicContact CG-CB 4.09Å; P1073-L1204 WeakPolarHBondContact CG-O 3.41Å; P1073-I1225 HydrophobicContact CB-CG2 3.78Å; P1073-F1266 HydrophobicContact CB-CE2 3.99Å; P1073-F1266 HydrophobicContact CB-CZ 4.38Å; P1073-F1266 HydrophobicContact CG-CE2 4.14Å; P1073-F1266 HydrophobicContact CG-CZ 4.25Å; P1073-I1267 WeakPolarHBondContact CD-O 3.11Å |
| 1074 | Y | 91.2 | Very high | 88.4 | Confident | 12 Ų | 12 | 26 Ų | 26 | 5% | 0.047 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -44.4 | -175.4 | -178.6 | -100.1 | 0 | 0 | 0 | 113.3 | L1072 L1082 L1083 F1125 K1226 | L1072-Y1074 PolarHBondContact O-N 3.3Å; Y1074-L1082 WeakPolarHBondContact O-CB 3.37Å; Y1074-L1082 PolarHBondContact O-N 3.27Å; Y1074-L1083 WeakPolarHBondContact CE2-O 3.22Å; Y1074-L1083 PolarHBondContact O-N 2.91Å; Y1074-F1125 AromaticContact CD1-CD1 3.87Å; Y1074-F1125 HydrophobicContact CD1-CD1 3.87Å; Y1074-F1125 AromaticContact CD1-CE1 3.98Å; Y1074-F1125 HydrophobicContact CD1-CE1 3.98Å; Y1074-F1125 HydrophobicContact CD2-CD1 4.36Å; Y1074-F1125 AromaticContact CE1-CD1 3.63Å; Y1074-F1125 HydrophobicContact CE1-CD1 3.63Å; Y1074-F1125 HydrophobicContact CE1-CE1 4.04Å; Y1074-F1125 HydrophobicContact CE2-CB 4.3Å; Y1074-F1125 HydrophobicContact CE2-CD1 4.12Å; Y1074-F1125 HydrophobicContact CG-CD1 4.25Å; Y1074-F1125 AromaticContact CZ-CD1 3.76Å; Y1074-K1226 PolarHBondContact N-O 2.85Å |
| 1075 | E | 88.8 | Confident | 88.7 | Confident | 32 Ų | 32 | 24.2 Ų | 24.2 | 15% | 0.15 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 155.1 | -171.6 | -167 | -179.7 | -149.3 | 0 | 0 | 110 | H1080 K1226 | E1075-H1080 CarbonylContact C-O 3.54Å; E1075-H1080 WeakPolarHBondContact CA-O 3.37Å; E1075-H1080 WeakPolarHBondContact CG-O 3.05Å; E1075-K1226 HydrophobicContact CB-CB 4.41Å; E1075-K1226 PolarHBondContact N-O 2.78Å; E1075-K1226 WeakPolarHBondContact O-CB 3.47Å; E1075-K1226 PolarHBondContact O-N 2.04Å; E1075-K1226 IonicContact OE2-NZ 2.64Å; E1075-K1226 PolarHBondContact OE2-NZ 3.19Å |
| 1076 | T | 84.5 | Confident | 88.8 | Confident | 6 Ų | 6 | 21 Ų | 21 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 157.9 | 166.5 | 65.6 | 0 | 0 | 0 | 0 | 110.7 | S1078 G1079 H1080 L1082 | T1076-S1078 PolarHBondContact O-N 3.23Å; T1076-S1078 VanDerWaalsContact O-N 3.13Å; T1076-S1078 PolarHBondContact OG1-N 2.92Å; T1076-S1078 PolarHBondContact OG1-OG 2.92Å; T1076-G1079 PolarHBondContact O-N 3.32Å; T1076-H1080 HydrophobicContact CG2-CB 4.25Å; T1076-H1080 PolarHBondContact N-O 3.49Å; T1076-H1080 WeakPolarHBondContact OG1-CB 3.45Å; T1076-H1080 PolarHBondContact OG1-N 3Å; T1076-L1082 HydrophobicContact CG2-CD1 4.25Å; T1076-L1082 HydrophobicContact CG2-CD2 4.09Å; T1076-L1082 HydrophobicContact CG2-CG 4.29Å |
| 1077 | T | 78.9 | Confident | 88.7 | Confident | 100 Ų | 100 | 23.4 Ų | 23.4 | 61% | 0.613 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.1 | 170.2 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | G1079 F1224 | T1077-G1079 VanDerWaalsContact C-N 3.27Å; T1077-G1079 PolarHBondContact O-N 3.43Å; T1077-F1224 HydrophobicContact CG2-CB 3.45Å; T1077-F1224 VanDerWaalsContact CG2-CB 3.45Å; T1077-F1224 PolarHBondContact N-O 2.86Å |
| 1078 | S | 76.5 | Confident | 88.5 | Confident | 76 Ų | 76 | 28 Ų | 28 | 53% | 0.531 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 6.6 | 172.8 | 70.1 | 0 | 0 | 0 | 0 | 114.3 | T1076 H1080 | T1076-S1078 PolarHBondContact O-N 3.23Å; T1076-S1078 VanDerWaalsContact O-N 3.13Å; T1076-S1078 PolarHBondContact OG1-N 2.92Å; T1076-S1078 PolarHBondContact OG1-OG 2.92Å; S1078-H1080 PolarHBondContact OG-CD2 2.66Å; S1078-H1080 VanDerWaalsContact OG-CD2 3.31Å |
| 1079 | G | 81.5 | Confident | 88.2 | Confident | 45 Ų | 45 | 28.3 Ų | 28.3 | 46% | 0.464 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 75.6 | 29.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1076 T1077 | T1076-G1079 PolarHBondContact O-N 3.32Å; T1077-G1079 VanDerWaalsContact C-N 3.27Å; T1077-G1079 PolarHBondContact O-N 3.43Å |
| 1080 | H | 85.8 | Confident | 87.8 | Confident | 52 Ų | 52 | 31.5 Ų | 31.5 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | trans | -101.8 | 117.2 | 171.7 | -57 | -22.4 | 0 | 0 | 0 | 109.3 | E1075 T1076 S1078 T1255 | E1075-H1080 CarbonylContact C-O 3.54Å; E1075-H1080 WeakPolarHBondContact CA-O 3.37Å; E1075-H1080 WeakPolarHBondContact CG-O 3.05Å; T1076-H1080 HydrophobicContact CG2-CB 4.25Å; T1076-H1080 PolarHBondContact N-O 3.49Å; T1076-H1080 WeakPolarHBondContact OG1-CB 3.45Å; T1076-H1080 PolarHBondContact OG1-N 3Å; S1078-H1080 PolarHBondContact OG-CD2 2.66Å; S1078-H1080 VanDerWaalsContact OG-CD2 3.31Å; H1080-T1255 HydrophobicContact CB-CG2 3.73Å | ||
| 1081 | R | 88.8 | Confident | 87.1 | Confident | 51 Ų | 51 | 32.8 Ų | 32.8 | 19% | 0.192 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -62.2 | 142.3 | 177.5 | -56.6 | -167.8 | -160.5 | 86.5 | 11.9 | 109.9 | E1032 W1252 T1255 | E1032-R1081 IonicContact OE1-CZ 2.86Å; E1032-R1081 VanDerWaalsContact OE1-CZ 3.25Å; E1032-R1081 IonicContact OE1-NH1 3.67Å; E1032-R1081 PolarHBondContact OE1-NH1 3.01Å; E1032-R1081 IonicContact OE1-NH2 2.66Å; E1032-R1081 PolarHBondContact OE1-NH2 2.63Å; R1081-W1252 HydrophobicContact CB-CB 4.23Å; R1081-W1252 HydrophobicContact CB-CD2 4.4Å; R1081-W1252 HydrophobicContact CB-CG 4.06Å; R1081-W1252 WeakPolarHBondContact O-CB 3.28Å; R1081-T1255 WeakPolarHBondContact O-CB 3.45Å; R1081-T1255 PolarHBondContact O-OG1 2.72Å |
| 1082 | L | 90.9 | Very high | 85.8 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | trans | -114.2 | -39.3 | 178 | -62.2 | 170.5 | 0 | 0 | 0 | 110.6 | P1073 Y1074 T1076 L1204 I1225 L1251 W1252 T1255 F1256 | P1073-L1082 HydrophobicContact CB-CD1 4.49Å; Y1074-L1082 WeakPolarHBondContact O-CB 3.37Å; Y1074-L1082 PolarHBondContact O-N 3.27Å; T1076-L1082 HydrophobicContact CG2-CD1 4.25Å; T1076-L1082 HydrophobicContact CG2-CD2 4.09Å; T1076-L1082 HydrophobicContact CG2-CG 4.29Å; L1082-L1204 HydrophobicContact CD1-CD2 4.17Å; L1082-L1204 HydrophobicContact CD2-CD2 4.35Å; L1082-I1225 HydrophobicContact CD1-CG1 4.4Å; L1082-I1225 HydrophobicContact CD1-CG2 4.25Å; L1082-L1251 CarbonylContact O-C 3.55Å; L1082-L1251 WeakPolarHBondContact O-CA 3.35Å; L1082-L1251 WeakPolarHBondContact O-CD2 3.39Å; L1082-W1252 PolarHBondContact O-N 2.89Å; L1082-T1255 HydrophobicContact CD2-CG2 4Å; L1082-F1256 HydrophobicContact CB-CZ 4.47Å; L1082-F1256 HydrophobicContact CD2-CE1 3.89Å; L1082-F1256 HydrophobicContact CD2-CZ 3.73Å | ||
| 1083 | L | 91.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.2 | -177.7 | -173.4 | 72.6 | 0 | 0 | 0 | 110.6 | L1072 P1073 Y1074 L1085 W1247 W1250 F1266 | L1072-L1083 HydrophobicContact CB-CD2 4.09Å; L1072-L1083 HydrophobicContact CD1-CD2 3.94Å; P1073-L1083 WeakPolarHBondContact O-CB 3.43Å; Y1074-L1083 WeakPolarHBondContact CE2-O 3.22Å; Y1074-L1083 PolarHBondContact O-N 2.91Å; L1083-L1085 HydrophobicContact CD2-CD2 3.92Å; L1083-L1085 HydrophobicContact CD2-CG 4.25Å; L1083-L1085 HydrophobicContact CG-CD2 4.25Å; L1083-L1085 HydrophobicContact CG-CG 4.48Å; L1083-W1247 HydrophobicContact CD1-CH2 4.33Å; L1083-W1247 HydrophobicContact CD1-CZ3 4.15Å; L1083-W1247 HydrophobicContact CD2-CH2 4.28Å; L1083-W1247 HydrophobicContact CD2-CZ3 4.01Å; L1083-W1250 CarbonylContact C-O 3.46Å; L1083-F1266 HydrophobicContact CD1-CE2 4.38Å; L1083-F1266 HydrophobicContact CD1-CZ 4.25Å; L1083-F1266 HydrophobicContact CD2-CZ 4.14Å |
| 1084 | Y | 91.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.8 | 172.3 | -164.6 | -96.8 | 0 | 0 | 0 | 110.3 | I1045 N1127 P1128 L1129 L1131 L1133 G1249 W1250 W1252 | I1045-Y1084 HydrophobicContact CD1-CD1 3.63Å; I1045-Y1084 HydrophobicContact CD1-CE1 3.93Å; I1045-Y1084 HydrophobicContact CD1-CG 4.11Å; Y1084-N1127 PolarHBondContact OH-OD1 3.21Å; Y1084-P1128 HydrophobicContact CE2-CG 4.36Å; Y1084-L1129 HydrophobicContact CE2-CB 4.43Å; Y1084-L1129 HydrophobicContact CE2-CD1 4.05Å; Y1084-L1129 HydrophobicContact CE2-CG 4.31Å; Y1084-L1131 HydrophobicContact CE1-CD1 4.4Å; Y1084-L1131 HydrophobicContact CE2-CD1 4.36Å; Y1084-L1133 HydrophobicContact CD1-CD1 4.24Å; Y1084-L1133 HydrophobicContact CE1-CD1 3.91Å; Y1084-G1249 WeakPolarHBondContact O-CA 3.44Å; Y1084-W1250 PolarHBondContact N-O 3.2Å; Y1084-W1250 PolarHBondContact O-N 3.12Å; Y1084-W1252 AromaticContact CD2-CE3 3.92Å; Y1084-W1252 HydrophobicContact CD2-CE3 3.92Å; Y1084-W1252 AromaticContact CD2-CZ3 3.48Å; Y1084-W1252 HydrophobicContact CD2-CZ3 3.48Å; Y1084-W1252 VanDerWaalsContact CD2-CZ3 3.48Å; Y1084-W1252 AromaticContact CE2-CZ3 4Å; Y1084-W1252 HydrophobicContact CE2-CZ3 4Å; Y1084-W1252 HydrophobicContact CG-CE3 4.28Å; Y1084-W1252 HydrophobicContact CG-CZ3 4.05Å |
| 1085 | L | 91.6 | Very high | 81 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -119.2 | 138.9 | 178 | -61.7 | 176 | 0 | 0 | 0 | 109.3 | L1083 N1127 I1228 W1247 | L1083-L1085 HydrophobicContact CD2-CD2 3.92Å; L1083-L1085 HydrophobicContact CD2-CG 4.25Å; L1083-L1085 HydrophobicContact CG-CD2 4.25Å; L1083-L1085 HydrophobicContact CG-CG 4.48Å; L1085-N1127 PolarHBondContact O-N 2.85Å; L1085-I1228 HydrophobicContact CD1-CD1 4.12Å; L1085-W1247 HydrophobicContact CD2-CE3 4.46Å; L1085-W1247 HydrophobicContact CD2-CZ3 4.5Å |
| 1086 | T | 89.9 | Confident | 79.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | trans | -130.1 | 153.8 | 170.4 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | Q1088 V1089 T1104 L1133 W1250 | T1086-Q1088 PolarHBondContact OG1-N 3.21Å; T1086-Q1088 PolarHBondContact OG1-O 2.94Å; T1086-V1089 HydrophobicContact CG2-CG2 3.65Å; T1086-T1104 PolarHBondContact O-OG1 3.4Å; T1086-L1133 HydrophobicContact CG2-CD1 3.61Å; T1086-W1250 HydrophobicContact CG2-CH2 4.17Å; T1086-W1250 HydrophobicContact CG2-CZ3 3.72Å | ||
| 1087 | D | 87.4 | Confident | 78 | Confident | 51 Ų | 51 | 60.3 Ų | 60.3 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -81.5 | -34.5 | 172.4 | 58.5 | -29.8 | 0 | 0 | 0 | 112 | N1103 T1104 L1105 I1126 | D1087-N1103 WeakPolarHBondContact O-CA 3.44Å; D1087-N1103 PolarHBondContact O-OD1 2.78Å; D1087-T1104 VanDerWaalsContact C-OG1 3.25Å; D1087-T1104 PolarHBondContact O-N 2.81Å; D1087-T1104 PolarHBondContact O-OG1 2.93Å; D1087-L1105 HydrophobicContact CB-CD1 4.34Å; D1087-L1105 HydrophobicContact CB-CD2 3.96Å; D1087-L1105 HydrophobicContact CB-CG 4.09Å; D1087-I1126 HydrophobicContact CB-CG2 3.76Å |
| 1088 | Q | 86 | Confident | 77.1 | Confident | 101 Ų | 101 | 59.4 Ų | 59.4 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.3 | -171.9 | -65.3 | 176.3 | -6.7 | 0 | 0 | 112.1 | T1086 L1101 R1102 | T1086-Q1088 PolarHBondContact OG1-N 3.21Å; T1086-Q1088 PolarHBondContact OG1-O 2.94Å; Q1088-L1101 HydrophobicContact CB-CD2 4.21Å; Q1088-L1101 HydrophobicContact CB-CG 4.49Å; Q1088-L1101 VanDerWaalsContact CD-CD2 3.41Å; Q1088-L1101 HydrophobicContact CG-CD2 4.06Å; Q1088-R1102 WeakPolarHBondContact CA-O 3.25Å |
| 1089 | V | 85.7 | Confident | 76.5 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.8 | 173.7 | 173.8 | 0 | 0 | 0 | 0 | 109.1 | T1086 R1102 T1104 L1133 D1135 W1250 | T1086-V1089 HydrophobicContact CG2-CG2 3.65Å; V1089-R1102 PolarHBondContact N-O 2.95Å; V1089-R1102 PolarHBondContact O-N 2.83Å; V1089-T1104 HydrophobicContact CB-CG2 4.22Å; V1089-T1104 HydrophobicContact CG2-CG2 3.7Å; V1089-L1133 HydrophobicContact CG2-CB 4.28Å; V1089-D1135 HydrophobicContact CG1-CB 3.33Å; V1089-W1250 HydrophobicContact CG2-CH2 3.8Å; V1089-W1250 HydrophobicContact CG2-CZ2 4.37Å |
| 1090 | R | 84.1 | Confident | 76 | Confident | 99 Ų | 99 | 62.3 Ų | 62.3 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 104.8 | 173.1 | -62.5 | -172.2 | -177.6 | -171.6 | 0.5 | 109.3 | L1101 L1133 D1135 | R1090-L1101 HydrophobicContact CG-CD1 3.85Å; R1090-L1133 PolarHBondContact N-O 3.16Å; R1090-D1135 PolarHBondContact O-N 3.45Å |
| 1091 | E | 77.1 | Confident | 75.6 | Confident | 27 Ų | 27 | 63.9 Ų | 63.9 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 140.5 | 173.1 | -166.3 | 166.3 | -172.1 | 0 | 0 | 108.3 | T1099 L1100 R1102 K1137 | E1091-T1099 CarbonylContact O-C 3.48Å; E1091-T1099 WeakPolarHBondContact O-CA 3.37Å; E1091-L1100 PolarHBondContact N-O 2.92Å; E1091-L1100 PolarHBondContact O-N 2.94Å; E1091-R1102 IonicContact OE1-NH1 3.68Å; E1091-R1102 WeakPolarHBondContact OE2-CD 3.44Å; E1091-R1102 IonicContact OE2-CZ 3.77Å; E1091-R1102 IonicContact OE2-NE 3.2Å; E1091-R1102 IonicContact OE2-NH1 2.63Å; E1091-R1102 PolarHBondContact OE2-NH1 3.44Å; E1091-K1137 IonicContact OE1-NZ 3.6Å |
| 1092 | A | 65.9 | Low | 75.2 | Confident | 37 Ų | 37 | 66.7 Ų | 66.7 | 31% | 0.306 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1094 F1136 | A1092-Y1094 PolarHBondContact O-N 2.95Å; A1092-F1136 HydrophobicContact CB-CD1 3.7Å; A1092-F1136 HydrophobicContact CB-CE1 3.79Å |
| 1093 | S | 58.3 | Low | 74.8 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 127.8 | 169.8 | 178.3 | 0 | 0 | 0 | 0 | 110 | T1095 T1098 | S1093-T1095 PolarHBondContact O-N 3.24Å; S1093-T1095 PolarHBondContact OG-N 3.49Å; S1093-T1095 PolarHBondContact OG-OG1 3.06Å; S1093-T1098 VanDerWaalsContact CB-O 3.25Å; S1093-T1098 WeakPolarHBondContact CB-O 3.5Å; S1093-T1098 PolarHBondContact N-O 3.14Å |
| 1094 | Y | 58.3 | Low | 74.5 | Confident | 150 Ų | 150 | 71.9 Ų | 71.9 | 59% | 0.588 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25 | 178 | -71.5 | -76 | 0 | 0 | 0 | 113.5 | A1092 K1137 I1139 | A1092-Y1094 PolarHBondContact O-N 2.95Å; Y1094-K1137 WeakPolarHBondContact OH-CB 3.22Å; Y1094-K1137 WeakPolarHBondContact OH-CD 3.5Å; Y1094-I1139 HydrophobicContact CD1-CD1 3.72Å; Y1094-I1139 HydrophobicContact CD1-CG1 4.3Å; Y1094-I1139 HydrophobicContact CE1-CD1 3.64Å; Y1094-I1139 HydrophobicContact CE1-CG1 3.7Å |
| 1095 | T | 58.5 | Low | 74.2 | Confident | 103 Ų | 103 | 74.5 Ų | 74.5 | 63% | 0.632 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -32.7 | -168.3 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | S1093 | S1093-T1095 PolarHBondContact O-N 3.24Å; S1093-T1095 PolarHBondContact OG-N 3.49Å; S1093-T1095 PolarHBondContact OG-OG1 3.06Å |
| 1096 | N | 53.3 | Low | 74 | Confident | 118 Ų | 118 | 74.7 Ų | 74.7 | 63% | 0.631 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 8.9 | -162.1 | -78.7 | -20 | 0 | 0 | 0 | 116.5 | T1098 | N1096-T1098 HydrophobicContact CB-CG2 4.41Å; N1096-T1098 PolarHBondContact O-N 3.02Å |
| 1097 | Q | 56.1 | Low | 73.8 | Confident | 202 Ų | 202 | 76.6 Ų | 76.6 | 94% | 0.944 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 55.3 | 7.4 | -170.6 | -60 | -172.9 | -3.1 | 0 | 0 | 115.1 | ||
| 1098 | T | 59.1 | Low | 73.9 | Confident | 81 Ų | 81 | 74.2 Ų | 74.2 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | trans | -87.6 | 138.9 | 177.4 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | S1093 N1096 | S1093-T1098 VanDerWaalsContact CB-O 3.25Å; S1093-T1098 WeakPolarHBondContact CB-O 3.5Å; S1093-T1098 PolarHBondContact N-O 3.14Å; N1096-T1098 HydrophobicContact CB-CG2 4.41Å; N1096-T1098 PolarHBondContact O-N 3.02Å | ||
| 1099 | T | 64.5 | Low | 74 | Confident | 72 Ų | 72 | 72.6 Ų | 72.6 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 115.7 | 167.2 | 55.4 | 0 | 0 | 0 | 0 | 108.9 | E1091 | E1091-T1099 CarbonylContact O-C 3.48Å; E1091-T1099 WeakPolarHBondContact O-CA 3.37Å |
| 1100 | L | 72.2 | Confident | 73.9 | Confident | 109 Ų | 109 | 72.8 Ų | 72.8 | 57% | 0.571 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 135.8 | 172.5 | -172.1 | 138 | 0 | 0 | 0 | 109.1 | E1091 R1102 | E1091-L1100 PolarHBondContact N-O 2.92Å; E1091-L1100 PolarHBondContact O-N 2.94Å; L1100-R1102 PolarHBondContact O-N 3.35Å |
| 1101 | L | 76.9 | Confident | 73.4 | Confident | 86 Ų | 86 | 73.2 Ų | 73.2 | 45% | 0.45 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 112.6 | 175.9 | -129.2 | 85.8 | 0 | 0 | 0 | 108.8 | Q1088 R1090 | Q1088-L1101 HydrophobicContact CB-CD2 4.21Å; Q1088-L1101 HydrophobicContact CB-CG 4.49Å; Q1088-L1101 VanDerWaalsContact CD-CD2 3.41Å; Q1088-L1101 HydrophobicContact CG-CD2 4.06Å; R1090-L1101 HydrophobicContact CG-CD1 3.85Å |
| 1102 | R | 80.9 | Confident | 73.3 | Confident | 110 Ų | 110 | 75.2 Ų | 75.2 | 42% | 0.415 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 128.1 | 179 | -168.4 | 168.8 | -173.4 | 169.1 | 8.4 | 110.2 | Q1088 V1089 E1091 L1100 | Q1088-R1102 WeakPolarHBondContact CA-O 3.25Å; V1089-R1102 PolarHBondContact N-O 2.95Å; V1089-R1102 PolarHBondContact O-N 2.83Å; E1091-R1102 IonicContact OE1-NH1 3.68Å; E1091-R1102 WeakPolarHBondContact OE2-CD 3.44Å; E1091-R1102 IonicContact OE2-CZ 3.77Å; E1091-R1102 IonicContact OE2-NE 3.2Å; E1091-R1102 IonicContact OE2-NH1 2.63Å; E1091-R1102 PolarHBondContact OE2-NH1 3.44Å; L1100-R1102 PolarHBondContact O-N 3.35Å |
| 1103 | N | 82.3 | Confident | 73.7 | Confident | 99 Ų | 99 | 76.2 Ų | 76.2 | 53% | 0.529 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 128.8 | 172.8 | -172.4 | -4.5 | 0 | 0 | 0 | 109.8 | D1087 L1105 | D1087-N1103 WeakPolarHBondContact O-CA 3.44Å; D1087-N1103 PolarHBondContact O-OD1 2.78Å; N1103-L1105 VanDerWaalsContact OD1-CB 3.24Å; N1103-L1105 WeakPolarHBondContact OD1-CB 3.47Å; N1103-L1105 VanDerWaalsContact OD1-CG 3.25Å; N1103-L1105 WeakPolarHBondContact OD1-CG 3.48Å; N1103-L1105 PolarHBondContact OD1-N 2.86Å |
| 1104 | T | 84.4 | Confident | 74.7 | Confident | 12 Ų | 12 | 80.9 Ų | 80.9 | 7% | 0.074 | 44% | 0.436 | C | S | . | . | trans | -112.7 | 5.8 | 179.6 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | T1086 D1087 V1089 T1248 W1250 | T1086-T1104 PolarHBondContact O-OG1 3.4Å; D1087-T1104 VanDerWaalsContact C-OG1 3.25Å; D1087-T1104 PolarHBondContact O-N 2.81Å; D1087-T1104 PolarHBondContact O-OG1 2.93Å; V1089-T1104 HydrophobicContact CB-CG2 4.22Å; V1089-T1104 HydrophobicContact CG2-CG2 3.7Å; T1104-T1248 WeakPolarHBondContact CB-OG1 3.39Å; T1104-T1248 PolarHBondContact O-OG1 3.05Å; T1104-W1250 HydrophobicContact CG2-CH2 4.32Å | ||
| 1105 | L | 85 | Confident | 75.9 | Confident | 54 Ų | 54 | 79.9 Ų | 79.9 | 28% | 0.283 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -64.3 | 150.8 | 171.4 | -62.2 | 174.1 | 0 | 0 | 0 | 111 | D1087 N1103 T1107 I1121 I1126 | D1087-L1105 HydrophobicContact CB-CD1 4.34Å; D1087-L1105 HydrophobicContact CB-CD2 3.96Å; D1087-L1105 HydrophobicContact CB-CG 4.09Å; N1103-L1105 VanDerWaalsContact OD1-CB 3.24Å; N1103-L1105 WeakPolarHBondContact OD1-CB 3.47Å; N1103-L1105 VanDerWaalsContact OD1-CG 3.25Å; N1103-L1105 WeakPolarHBondContact OD1-CG 3.48Å; N1103-L1105 PolarHBondContact OD1-N 2.86Å; L1105-T1107 PolarHBondContact O-N 3.03Å; L1105-I1121 HydrophobicContact CD2-CD1 4.14Å; L1105-I1126 HydrophobicContact CD2-CD1 4.18Å |
| 1106 | P | 87.4 | Confident | 77.1 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 8% | 0.078 | 42% | 0.417 | C | S | . | . | trans | -60.6 | 130 | 178.7 | -21.8 | 32.3 | 0 | 0 | 0 | 111.6 | C1119 I1121 K1246 W1247 | P1106-C1119 HydrophobicContact CB-CB 3.89Å; P1106-C1119 HydrophobicContact CG-CB 4.44Å; P1106-I1121 VanDerWaalsContact CD-CD1 3.41Å; P1106-I1121 HydrophobicContact CG-CD1 3.82Å; P1106-I1121 HydrophobicContact CG-CG1 4.43Å; P1106-K1246 VanDerWaalsContact CA-O 3.26Å; P1106-K1246 WeakPolarHBondContact CA-O 3.36Å; P1106-W1247 HydrophobicContact CB-CB 4.07Å; P1106-W1247 HydrophobicContact CG-CB 3.9Å | ||
| 1107 | T | 87.4 | Confident | 78.7 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 28% | 0.276 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 144.8 | -177.7 | 41.7 | 0 | 0 | 0 | 0 | 110.9 | L1105 L1245 K1246 | L1105-T1107 PolarHBondContact O-N 3.03Å; T1107-L1245 WeakPolarHBondContact O-CA 3.36Å; T1107-K1246 PolarHBondContact N-O 3.43Å; T1107-K1246 VanDerWaalsContact N-O 3.16Å; T1107-K1246 PolarHBondContact O-N 2.91Å; T1107-K1246 VanDerWaalsContact O-N 3.13Å |
| 1108 | I | 89.2 | Confident | 80.3 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 99.7 | -177.4 | -63.6 | -178.1 | 0 | 0 | 0 | 106.8 | Q1115 Y1116 C1232 I1234 V1243 R1244 L1245 | I1108-Q1115 CarbonylContact O-C 3.54Å; I1108-Q1115 WeakPolarHBondContact O-CA 3.08Å; I1108-Y1116 PolarHBondContact O-N 3.15Å; I1108-C1232 HydrophobicContact CD1-CB 3.98Å; I1108-I1234 HydrophobicContact CD1-CG1 4.2Å; I1108-I1234 HydrophobicContact CG2-CD1 4.32Å; I1108-I1234 HydrophobicContact CG2-CG1 4.08Å; I1108-V1243 HydrophobicContact CB-CG1 4.43Å; I1108-V1243 HydrophobicContact CG2-CG1 3.27Å; I1108-R1244 WeakPolarHBondContact CA-O 3.5Å; I1108-L1245 HydrophobicContact CG1-CD1 4.39Å; I1108-L1245 HydrophobicContact CG1-CG 4.36Å |
| 1109 | I | 86.8 | Confident | 81.9 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.8 | -168.6 | -49.5 | 179.5 | 0 | 0 | 0 | 109.6 | K1114 R1244 | I1109-K1114 CarbonylContact C-O 3.47Å; I1109-K1114 WeakPolarHBondContact CA-O 3.45Å; I1109-R1244 PolarHBondContact N-O 3Å; I1109-R1244 PolarHBondContact O-N 2.94Å |
| 1110 | G | 83.8 | Confident | 83.1 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 9% | 0.093 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 171.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1112 G1113 K1114 | G1110-D1112 PolarHBondContact O-N 2.89Å; G1110-G1113 PolarHBondContact O-N 2.9Å; G1110-G1113 VanDerWaalsContact O-N 3.13Å; G1110-K1114 PolarHBondContact N-O 3.03Å |
| 1111 | S | 74.9 | Confident | 83.9 | Confident | 108 Ų | 108 | 61.2 Ų | 61.2 | 76% | 0.755 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.1 | 170.5 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | G1113 | S1111-G1113 VanDerWaalsContact C-N 3.29Å; S1111-G1113 PolarHBondContact O-N 2.91Å |
| 1112 | D | 73.8 | Confident | 84.4 | Confident | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 5.9 | 176.3 | 74.8 | -18.2 | 0 | 0 | 0 | 114.2 | G1110 K1114 Y1116 | G1110-D1112 PolarHBondContact O-N 2.89Å; D1112-K1114 PolarHBondContact O-N 3.41Å; D1112-K1114 WeakPolarHBondContact OD1-CB 3.42Å; D1112-K1114 PolarHBondContact OD1-N 2.97Å; D1112-K1114 VanDerWaalsContact OD2-CD 3.29Å; D1112-K1114 WeakPolarHBondContact OD2-CD 3.38Å; D1112-K1114 WeakPolarHBondContact OD2-CE 3.5Å; D1112-K1114 VanDerWaalsContact OD2-CG 3.25Å; D1112-K1114 WeakPolarHBondContact OD2-CG 3.26Å; D1112-K1114 IonicContact OD2-NZ 3.87Å; D1112-K1114 PolarHBondContact OD2-NZ 2.95Å; D1112-Y1116 WeakPolarHBondContact OD1-CE2 3.4Å |
| 1113 | G | 75.6 | Confident | 84.6 | Confident | 58 Ų | 58 | 63.7 Ų | 63.7 | 60% | 0.598 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 74.5 | -2.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G1110 S1111 | G1110-G1113 PolarHBondContact O-N 2.9Å; G1110-G1113 VanDerWaalsContact O-N 3.13Å; S1111-G1113 VanDerWaalsContact C-N 3.29Å; S1111-G1113 PolarHBondContact O-N 2.91Å |
| 1114 | K | 78.6 | Confident | 84.8 | Confident | 134 Ų | 134 | 66.5 Ų | 66.5 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | trans | -77.7 | 152.1 | 177.6 | -63.4 | -169.7 | -164.5 | 82 | 0 | 111.3 | I1109 G1110 D1112 Y1116 | I1109-K1114 CarbonylContact C-O 3.47Å; I1109-K1114 WeakPolarHBondContact CA-O 3.45Å; G1110-K1114 PolarHBondContact N-O 3.03Å; D1112-K1114 PolarHBondContact O-N 3.41Å; D1112-K1114 WeakPolarHBondContact OD1-CB 3.42Å; D1112-K1114 PolarHBondContact OD1-N 2.97Å; D1112-K1114 VanDerWaalsContact OD2-CD 3.29Å; D1112-K1114 WeakPolarHBondContact OD2-CD 3.38Å; D1112-K1114 WeakPolarHBondContact OD2-CE 3.5Å; D1112-K1114 VanDerWaalsContact OD2-CG 3.25Å; D1112-K1114 WeakPolarHBondContact OD2-CG 3.26Å; D1112-K1114 IonicContact OD2-NZ 3.87Å; D1112-K1114 PolarHBondContact OD2-NZ 2.95Å; K1114-Y1116 HydrophobicContact CB-CE2 4.35Å; K1114-Y1116 PolarHBondContact O-N 2.93Å | ||
| 1115 | Q | 83.2 | Confident | 85 | Confident | 129 Ų | 129 | 67 Ų | 67 | 60% | 0.603 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 110.1 | 174 | -176 | 174.5 | -5.2 | 0 | 0 | 110.5 | I1108 G1117 | I1108-Q1115 CarbonylContact O-C 3.54Å; I1108-Q1115 WeakPolarHBondContact O-CA 3.08Å; Q1115-G1117 WeakPolarHBondContact CG-O 3.47Å; Q1115-G1117 PolarHBondContact NE2-O 3.02Å |
| 1116 | Y | 84.1 | Confident | 85.1 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 22% | 0.22 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -13.1 | -178.8 | -87.3 | -114.7 | 0 | 0 | 0 | 113.4 | I1108 D1112 K1114 K1235 V1243 | I1108-Y1116 PolarHBondContact O-N 3.15Å; D1112-Y1116 WeakPolarHBondContact OD1-CE2 3.4Å; K1114-Y1116 HydrophobicContact CB-CE2 4.35Å; K1114-Y1116 PolarHBondContact O-N 2.93Å; Y1116-K1235 PolarHBondContact O-N 2.79Å; Y1116-V1243 HydrophobicContact CD1-CG2 3.83Å; Y1116-V1243 HydrophobicContact CD2-CG2 4.42Å; Y1116-V1243 HydrophobicContact CE1-CG2 4.34Å; Y1116-V1243 HydrophobicContact CG-CG2 3.86Å |
| 1117 | G | 86 | Confident | 85.2 | Confident | 3 Ų | 3 | 67 Ų | 67 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 177.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1115 H1233 | Q1115-G1117 WeakPolarHBondContact CG-O 3.47Å; Q1115-G1117 PolarHBondContact NE2-O 3.02Å; G1117-H1233 CarbonylContact C-O 3.5Å; G1117-H1233 WeakPolarHBondContact CA-O 3.11Å |
| 1118 | T | 90.6 | Very high | 85.1 | Confident | 61 Ų | 61 | 67.6 Ų | 67.6 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.4 | -178.4 | 45.4 | 0 | 0 | 0 | 0 | 110.7 | C1232 H1233 | T1118-C1232 WeakPolarHBondContact O-CA 3.04Å; T1118-H1233 PolarHBondContact N-O 2.76Å; T1118-H1233 PolarHBondContact O-N 3.01Å |
| 1119 | C | 91.6 | Very high | 85 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.7 | 173.8 | -68 | 0 | 0 | 0 | 0 | 111 | P1106 I1230 Q1231 C1232 | P1106-C1119 HydrophobicContact CB-CB 3.89Å; P1106-C1119 HydrophobicContact CG-CB 4.44Å; C1119-I1230 HydrophobicContact CB-CG2 4.15Å; C1119-Q1231 CarbonylContact C-O 3.09Å; C1119-Q1231 VanDerWaalsContact CA-O 3.29Å; C1119-Q1231 WeakPolarHBondContact CA-O 3.4Å; C1119-C1232 HydrophobicContact CB-CB 4.2Å; C1119-C1232 WeakPolarHBondContact CB-SG 2.93Å; C1119-C1232 WeakPolarHBondContact SG-CB 3.02Å; C1119-C1232 CovalentContact SG-SG 2.04Å; C1119-C1232 PolarHBondContact SG-SG 3.44Å |
| 1120 | E | 89.8 | Confident | 84.9 | Confident | 129 Ų | 129 | 72.6 Ų | 72.6 | 60% | 0.603 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 115.2 | 178.7 | -63.2 | -168.1 | -172.4 | 0 | 0 | 110.3 | Q1231 | E1120-Q1231 PolarHBondContact N-O 2.98Å; E1120-Q1231 PolarHBondContact O-N 3.01Å |
| 1121 | I | 88.8 | Confident | 84.9 | Confident | 22 Ų | 22 | 72.7 Ų | 72.7 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | trans | -101.1 | 128.3 | 171.8 | -57.8 | -176.9 | 0 | 0 | 0 | 108.2 | L1105 P1106 K1123 F1125 I1126 I1228 I1230 | L1105-I1121 HydrophobicContact CD2-CD1 4.14Å; P1106-I1121 VanDerWaalsContact CD-CD1 3.41Å; P1106-I1121 HydrophobicContact CG-CD1 3.82Å; P1106-I1121 HydrophobicContact CG-CG1 4.43Å; I1121-K1123 PolarHBondContact O-N 3.49Å; I1121-F1125 HydrophobicContact CG2-CB 4.45Å; I1121-I1126 HydrophobicContact CB-CD1 3.93Å; I1121-I1126 HydrophobicContact CB-CG1 4.06Å; I1121-I1126 HydrophobicContact CG2-CD1 4.04Å; I1121-I1126 HydrophobicContact CG2-CG1 3.6Å; I1121-I1228 HydrophobicContact CG2-CD1 3.81Å; I1121-I1230 HydrophobicContact CD1-CD1 3.89Å; I1121-I1230 HydrophobicContact CD1-CG1 4.48Å; I1121-I1230 HydrophobicContact CG1-CB 4.43Å; I1121-I1230 HydrophobicContact CG1-CD1 3.91Å; I1121-I1230 HydrophobicContact CG1-CG1 3.95Å; I1121-I1230 HydrophobicContact CG1-CG2 3.7Å | ||
| 1122 | P | 87.8 | Confident | 85.4 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 37% | 0.37 | 36% | 0.357 | S | S | . | . | trans | -61 | 122.7 | 175 | -21.3 | 31.6 | 0 | 0 | 0 | 111.2 | K1124 F1125 | P1122-K1124 HydrophobicContact CB-CG 4.37Å; P1122-K1124 PolarHBondContact O-N 3.39Å; P1122-F1125 HydrophobicContact CB-CD2 3.88Å; P1122-F1125 HydrophobicContact CB-CE2 4.12Å; P1122-F1125 HydrophobicContact CG-CD2 4.13Å; P1122-F1125 HydrophobicContact CG-CE2 4.18Å; P1122-F1125 PolarHBondContact O-N 2.88Å | ||
| 1123 | K | 85.3 | Confident | 86 | Confident | 190 Ų | 190 | 66.2 Ų | 66.2 | 83% | 0.826 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -47.6 | -33.3 | -171.8 | -67.4 | -174.8 | 178.2 | -178.4 | 0 | 114.9 | I1121 F1125 I1126 | I1121-K1123 PolarHBondContact O-N 3.49Å; K1123-F1125 PolarHBondContact O-N 2.92Å; K1123-I1126 PolarHBondContact O-N 2.81Å |
| 1124 | K | 87.2 | Confident | 86.3 | Confident | 158 Ų | 158 | 65.1 Ų | 65.1 | 69% | 0.687 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -57.7 | -15.2 | 177.3 | 70.4 | -174.1 | -179.3 | -172.1 | 0 | 115.7 | P1122 | P1122-K1124 HydrophobicContact CB-CG 4.37Å; P1122-K1124 PolarHBondContact O-N 3.39Å |
| 1125 | F | 88.4 | Confident | 86.3 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 11% | 0.105 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -106.3 | -9.5 | 178.1 | -58.7 | -67.5 | 0 | 0 | 0 | 113.6 | Y1074 I1121 P1122 K1123 I1228 | Y1074-F1125 AromaticContact CD1-CD1 3.87Å; Y1074-F1125 HydrophobicContact CD1-CD1 3.87Å; Y1074-F1125 AromaticContact CD1-CE1 3.98Å; Y1074-F1125 HydrophobicContact CD1-CE1 3.98Å; Y1074-F1125 HydrophobicContact CD2-CD1 4.36Å; Y1074-F1125 AromaticContact CE1-CD1 3.63Å; Y1074-F1125 HydrophobicContact CE1-CD1 3.63Å; Y1074-F1125 HydrophobicContact CE1-CE1 4.04Å; Y1074-F1125 HydrophobicContact CE2-CB 4.3Å; Y1074-F1125 HydrophobicContact CE2-CD1 4.12Å; Y1074-F1125 HydrophobicContact CG-CD1 4.25Å; Y1074-F1125 AromaticContact CZ-CD1 3.76Å; I1121-F1125 HydrophobicContact CG2-CB 4.45Å; P1122-F1125 HydrophobicContact CB-CD2 3.88Å; P1122-F1125 HydrophobicContact CB-CE2 4.12Å; P1122-F1125 HydrophobicContact CG-CD2 4.13Å; P1122-F1125 HydrophobicContact CG-CE2 4.18Å; P1122-F1125 PolarHBondContact O-N 2.88Å; K1123-F1125 PolarHBondContact O-N 2.92Å; F1125-I1228 HydrophobicContact CB-CD1 3.51Å; F1125-I1228 HydrophobicContact CD1-CD1 4.33Å; F1125-I1228 HydrophobicContact CD2-CD1 3.36Å; F1125-I1228 HydrophobicContact CD2-CG1 3.66Å; F1125-I1228 HydrophobicContact CE2-CB 4.46Å; F1125-I1228 HydrophobicContact CE2-CD1 4.05Å; F1125-I1228 HydrophobicContact CE2-CG1 3.81Å; F1125-I1228 HydrophobicContact CG-CD1 3.5Å; F1125-I1228 HydrophobicContact CG-CG1 4.12Å; F1125-I1228 HydrophobicContact CZ-CG1 4.39Å |
| 1126 | I | 87.4 | Confident | 85.6 | Confident | 35 Ų | 35 | 57.4 Ų | 57.4 | 18% | 0.179 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -92.5 | 121.1 | -179.3 | -52.2 | 177 | 0 | 0 | 0 | 108 | D1087 L1105 I1121 K1123 P1128 | D1087-I1126 HydrophobicContact CB-CG2 3.76Å; L1105-I1126 HydrophobicContact CD2-CD1 4.18Å; I1121-I1126 HydrophobicContact CB-CD1 3.93Å; I1121-I1126 HydrophobicContact CB-CG1 4.06Å; I1121-I1126 HydrophobicContact CG2-CD1 4.04Å; I1121-I1126 HydrophobicContact CG2-CG1 3.6Å; K1123-I1126 PolarHBondContact O-N 2.81Å; I1126-P1128 VanDerWaalsContact C-CD 3.48Å; I1126-P1128 VanDerWaalsContact C-N 3.35Å |
| 1127 | N | 88.7 | Confident | 84.5 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 43.3 | 50 | 174.1 | -159.4 | 0.7 | 0 | 0 | 0 | 114.6 | Y1084 L1085 L1129 E1130 L1131 | Y1084-N1127 PolarHBondContact OH-OD1 3.21Å; L1085-N1127 PolarHBondContact O-N 2.85Å; N1127-L1129 PolarHBondContact O-N 3.19Å; N1127-E1130 PolarHBondContact O-N 3.3Å; N1127-L1131 PolarHBondContact ND2-O 3.48Å; N1127-L1131 PolarHBondContact OD1-N 2.89Å; N1127-L1131 PolarHBondContact OD1-O 3.31Å |
| 1128 | P | 86.4 | Confident | 82.7 | Confident | 58 Ų | 58 | 66 Ų | 66 | 38% | 0.377 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -5.1 | -170.8 | 30.7 | -38.7 | 0 | 0 | 0 | 114.4 | Y1084 I1126 | Y1084-P1128 HydrophobicContact CE2-CG 4.36Å; I1126-P1128 VanDerWaalsContact C-CD 3.48Å; I1126-P1128 VanDerWaalsContact C-N 3.35Å |
| 1129 | L | 85.4 | Confident | 80.5 | Confident | 56 Ų | 56 | 68 Ų | 68 | 29% | 0.293 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 7.1 | 177.3 | -63.9 | 177.3 | 0 | 0 | 0 | 112.7 | I1031 Y1084 N1127 L1131 W1252 | I1031-L1129 HydrophobicContact CG2-CD1 4.38Å; Y1084-L1129 HydrophobicContact CE2-CB 4.43Å; Y1084-L1129 HydrophobicContact CE2-CD1 4.05Å; Y1084-L1129 HydrophobicContact CE2-CG 4.31Å; N1127-L1129 PolarHBondContact O-N 3.19Å; L1129-L1131 HydrophobicContact CB-CD1 4.18Å; L1129-L1131 HydrophobicContact CB-CD2 4.26Å; L1129-L1131 HydrophobicContact CB-CG 3.79Å; L1129-L1131 HydrophobicContact CD1-CD1 4.32Å; L1129-L1131 PolarHBondContact O-N 3.02Å; L1129-W1252 HydrophobicContact CD1-CH2 3.54Å; L1129-W1252 HydrophobicContact CD1-CZ2 4.32Å; L1129-W1252 HydrophobicContact CD1-CZ3 4.21Å |
| 1130 | E | 84.7 | Confident | 78.1 | Confident | 116 Ų | 116 | 71.4 Ų | 71.4 | 54% | 0.542 | 35% | 0.347 | S | S | . | . | trans | 51.8 | 35.3 | -177.8 | -58.7 | -174.4 | 163.6 | 0 | 0 | 113.8 | R1038 N1127 | R1038-E1130 IonicContact CZ-OE2 3.08Å; R1038-E1130 VanDerWaalsContact CZ-OE2 3.29Å; R1038-E1130 IonicContact NH1-OE2 2.71Å; R1038-E1130 PolarHBondContact NH1-OE2 2.92Å; R1038-E1130 IonicContact NH2-OE2 2.73Å; R1038-E1130 PolarHBondContact NH2-OE2 2.83Å; N1127-E1130 PolarHBondContact O-N 3.3Å | ||
| 1131 | L | 85 | Confident | 75.9 | Confident | 10 Ų | 10 | 72.8 Ų | 72.8 | 5% | 0.052 | 35% | 0.353 | C | S | . | . | trans | -77.3 | 130.3 | -179 | -59.2 | -179.2 | 0 | 0 | 0 | 110.9 | I1031 I1040 I1045 Y1084 N1127 L1129 L1133 | I1031-L1131 HydrophobicContact CG2-CD1 4.31Å; I1040-L1131 HydrophobicContact CD1-CD1 4.12Å; I1040-L1131 HydrophobicContact CD1-CD2 3.73Å; I1040-L1131 HydrophobicContact CG1-CD2 4.3Å; I1045-L1131 HydrophobicContact CD1-CD1 4.33Å; Y1084-L1131 HydrophobicContact CE1-CD1 4.4Å; Y1084-L1131 HydrophobicContact CE2-CD1 4.36Å; N1127-L1131 PolarHBondContact ND2-O 3.48Å; N1127-L1131 PolarHBondContact OD1-N 2.89Å; N1127-L1131 PolarHBondContact OD1-O 3.31Å; L1129-L1131 HydrophobicContact CB-CD1 4.18Å; L1129-L1131 HydrophobicContact CB-CD2 4.26Å; L1129-L1131 HydrophobicContact CB-CG 3.79Å; L1129-L1131 HydrophobicContact CD1-CD1 4.32Å; L1129-L1131 PolarHBondContact O-N 3.02Å; L1131-L1133 PolarHBondContact O-N 3.01Å | ||
| 1132 | T | 85.4 | Confident | 73.8 | Confident | 41 Ų | 41 | 79.7 Ų | 79.7 | 25% | 0.252 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 100.2 | 167.3 | -56.8 | 0 | 0 | 0 | 0 | 108.7 | R1038 K1039 I1040 | R1038-T1132 PolarHBondContact O-N 2.73Å; K1039-T1132 WeakPolarHBondContact CA-O 3.49Å; K1039-T1132 HydrophobicContact CG-CG2 4.3Å; I1040-T1132 PolarHBondContact N-O 2.74Å |
| 1133 | L | 85.5 | Confident | 71.8 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 133.6 | -178.7 | -76.1 | 164.9 | 0 | 0 | 0 | 112.4 | I1040 I1045 Y1084 T1086 V1089 R1090 L1131 | I1040-L1133 WeakPolarHBondContact O-CA 3.5Å; I1045-L1133 HydrophobicContact CD1-CD1 4Å; I1045-L1133 HydrophobicContact CD1-CD2 3.55Å; I1045-L1133 HydrophobicContact CD1-CG 4.34Å; I1045-L1133 HydrophobicContact CG1-CD2 4.26Å; Y1084-L1133 HydrophobicContact CD1-CD1 4.24Å; Y1084-L1133 HydrophobicContact CE1-CD1 3.91Å; T1086-L1133 HydrophobicContact CG2-CD1 3.61Å; V1089-L1133 HydrophobicContact CG2-CB 4.28Å; R1090-L1133 PolarHBondContact N-O 3.16Å; L1131-L1133 PolarHBondContact O-N 3.01Å |
| 1134 | M | 82.3 | Confident | 69.6 | Low | 35 Ų | 35 | 77.6 Ų | 77.6 | 17% | 0.172 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.1 | 179.3 | -58.6 | -176.4 | -62.1 | 0 | 0 | 110 | K1039 I1040 F1041 S1042 F1136 | K1039-M1134 HydrophobicContact CB-CE 4.15Å; K1039-M1134 HydrophobicContact CB-SD 4.4Å; I1040-M1134 PolarHBondContact O-N 3.13Å; F1041-M1134 WeakPolarHBondContact CA-O 3.44Å; F1041-M1134 HydrophobicContact CD1-CB 4.1Å; F1041-M1134 HydrophobicContact CD1-CE 4.04Å; F1041-M1134 HydrophobicContact CD2-CE 4.42Å; F1041-M1134 HydrophobicContact CE1-CE 3.84Å; F1041-M1134 HydrophobicContact CE2-CE 4.23Å; F1041-M1134 HydrophobicContact CG-CE 4.32Å; F1041-M1134 HydrophobicContact CZ-CE 3.94Å; S1042-M1134 PolarHBondContact N-O 3.37Å; M1134-F1136 HydrophobicContact CB-CD2 3.88Å; M1134-F1136 HydrophobicContact CB-CE2 3.66Å; M1134-F1136 HydrophobicContact CG-CE2 4.25Å; M1134-F1136 HydrophobicContact SD-CE2 4.05Å |
| 1135 | D | 78.3 | Confident | 67.6 | Low | 19 Ų | 19 | 76.9 Ų | 76.9 | 10% | 0.102 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 81.7 | -176.8 | -163 | 37.2 | 0 | 0 | 0 | 109.6 | S1042 R1048 V1089 R1090 | S1042-D1135 WeakPolarHBondContact CB-OD1 3.47Å; S1042-D1135 PolarHBondContact OG-OD1 3.33Å; R1048-D1135 IonicContact CZ-OD2 2.65Å; R1048-D1135 IonicContact NH1-OD1 3.95Å; R1048-D1135 IonicContact NH1-OD2 3.11Å; R1048-D1135 PolarHBondContact NH1-OD2 2.88Å; V1089-D1135 HydrophobicContact CG1-CB 3.33Å; R1090-D1135 PolarHBondContact O-N 3.45Å |
| 1136 | F | 69.8 | Low | 65.5 | Low | 82 Ų | 82 | 78.6 Ų | 78.6 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | trans | -92.9 | 104.8 | 177.6 | -68.9 | -82.2 | 0 | 0 | 0 | 110.1 | F1041 A1092 M1134 F1138 | F1041-F1136 AromaticContact CD1-CD2 3.87Å; F1041-F1136 HydrophobicContact CD1-CD2 3.87Å; F1041-F1136 HydrophobicContact CD1-CE2 4.47Å; F1041-F1136 AromaticContact CE1-CD2 3.59Å; F1041-F1136 HydrophobicContact CE1-CD2 3.59Å; F1041-F1136 AromaticContact CE1-CE2 3.93Å; F1041-F1136 HydrophobicContact CE1-CE2 3.93Å; A1092-F1136 HydrophobicContact CB-CD1 3.7Å; A1092-F1136 HydrophobicContact CB-CE1 3.79Å; M1134-F1136 HydrophobicContact CB-CD2 3.88Å; M1134-F1136 HydrophobicContact CB-CE2 3.66Å; M1134-F1136 HydrophobicContact CG-CE2 4.25Å; M1134-F1136 HydrophobicContact SD-CE2 4.05Å; F1136-F1138 HydrophobicContact CB-CE2 4.45Å; F1136-F1138 WeakPolarHBondContact O-CD2 3.28Å; F1136-F1138 PolarHBondContact O-N 2.84Å | ||
| 1137 | K | 60.1 | Low | 63.2 | Low | 126 Ų | 126 | 79.7 Ų | 79.7 | 55% | 0.548 | 40% | 0.399 | S | S | . | . | trans | -65.7 | 98 | 161.9 | -75.4 | 174 | 179.5 | 159.4 | 0 | 109 | E1091 Y1094 I1139 | E1091-K1137 IonicContact OE1-NZ 3.6Å; Y1094-K1137 WeakPolarHBondContact OH-CB 3.22Å; Y1094-K1137 WeakPolarHBondContact OH-CD 3.5Å; K1137-I1139 PolarHBondContact O-N 3.07Å | ||
| 1138 | F | 49.3 | Very low | 61.2 | Low | 113 Ų | 113 | 83 Ų | 83 | 50% | 0.496 | 42% | 0.417 | S | S | . | . | trans | -62.6 | 106.7 | 176.7 | -79.5 | -83.4 | 0 | 0 | 0 | 110.9 | F1136 N1140 | F1136-F1138 HydrophobicContact CB-CE2 4.45Å; F1136-F1138 WeakPolarHBondContact O-CD2 3.28Å; F1136-F1138 PolarHBondContact O-N 2.84Å; F1138-N1140 PolarHBondContact O-N 3.42Å | ||
| 1139 | I | 43.2 | Very low | 59.3 | Low | 105 Ų | 105 | 83.5 Ų | 83.5 | 54% | 0.538 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -61.4 | 118 | 174.6 | -56.8 | 172.2 | 0 | 0 | 0 | 109.2 | Y1094 K1137 T1143 | Y1094-I1139 HydrophobicContact CD1-CD1 3.72Å; Y1094-I1139 HydrophobicContact CD1-CG1 4.3Å; Y1094-I1139 HydrophobicContact CE1-CD1 3.64Å; Y1094-I1139 HydrophobicContact CE1-CG1 3.7Å; K1137-I1139 PolarHBondContact O-N 3.07Å; I1139-T1143 PolarHBondContact O-OG1 3.01Å |
| 1140 | N | 41.5 | Very low | 57.5 | Low | 93 Ų | 93 | 83.8 Ų | 83.8 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | trans | 62.7 | 115.5 | 178.1 | -97 | -59.6 | 0 | 0 | 0 | 115.5 | F1138 K1142 T1143 R1144 | F1138-N1140 PolarHBondContact O-N 3.42Å; N1140-K1142 HydrophobicContact CB-CB 4.23Å; N1140-K1142 PolarHBondContact O-N 2.6Å; N1140-T1143 HydrophobicContact CB-CG2 3.84Å; N1140-T1143 PolarHBondContact O-N 2.68Å; N1140-T1143 PolarHBondContact O-OG1 2.9Å; N1140-R1144 PolarHBondContact O-N 3.23Å | ||
| 1141 | E | 44 | Very low | 55.8 | Low | 157 Ų | 157 | 84.3 Ų | 84.3 | 73% | 0.734 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -53.1 | -25.7 | 161.4 | -63.2 | -167.6 | 117.5 | 0 | 0 | 113 | K1145 | E1141-K1145 PolarHBondContact O-N 2.72Å |
| 1142 | K | 43.3 | Very low | 54.1 | Low | 168 Ų | 168 | 86 Ų | 86 | 73% | 0.73 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.5 | -35 | 173.9 | -64.9 | 178 | 179.1 | 174.1 | 0 | 112.6 | N1140 A1146 | N1140-K1142 HydrophobicContact CB-CB 4.23Å; N1140-K1142 PolarHBondContact O-N 2.6Å; K1142-A1146 PolarHBondContact O-N 3.48Å |
| 1143 | T | 45.8 | Very low | 52.3 | Low | 71 Ų | 71 | 90.8 Ų | 90.8 | 44% | 0.436 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -80.5 | -37.6 | 179.4 | 68.1 | 0 | 0 | 0 | 0 | 111.8 | I1139 N1140 K1145 A1146 A1147 | I1139-T1143 PolarHBondContact O-OG1 3.01Å; N1140-T1143 HydrophobicContact CB-CG2 3.84Å; N1140-T1143 PolarHBondContact O-N 2.68Å; N1140-T1143 PolarHBondContact O-OG1 2.9Å; T1143-K1145 PolarHBondContact O-N 3Å; T1143-A1146 CarbonylContact O-C 3.51Å; T1143-A1146 WeakPolarHBondContact O-CA 3.12Å; T1143-A1146 WeakPolarHBondContact O-CB 3.37Å; T1143-A1146 PolarHBondContact O-N 2.85Å; T1143-A1147 PolarHBondContact O-N 2.87Å |
| 1144 | R | 40.7 | Very low | 50.4 | Low | 132 Ų | 132 | 96.9 Ų | 96.9 | 50% | 0.498 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.1 | -36.7 | 173.8 | -160.9 | 175.5 | -173.4 | -175.6 | 3.8 | 111.3 | N1140 N1148 | N1140-R1144 PolarHBondContact O-N 3.23Å; R1144-N1148 WeakPolarHBondContact O-CB 3.32Å; R1144-N1148 PolarHBondContact O-N 3.15Å |
| 1145 | K | 44.4 | Very low | 49 | Very low | 143 Ų | 143 | 99.2 Ų | 99.2 | 62% | 0.622 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.5 | -30.7 | 170 | -75.5 | 170.8 | 178.5 | 164 | 0 | 113.2 | E1141 T1143 N1149 | E1141-K1145 PolarHBondContact O-N 2.72Å; T1143-K1145 PolarHBondContact O-N 3Å; K1145-N1149 VanDerWaalsContact O-CB 3.22Å; K1145-N1149 WeakPolarHBondContact O-CB 3.38Å; K1145-N1149 PolarHBondContact O-N 3.04Å; K1145-N1149 PolarHBondContact O-ND2 3.4Å |
| 1146 | A | 44.1 | Very low | 47.6 | Very low | 59 Ų | 59 | 103 Ų | 103 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -79.5 | -42.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K1142 T1143 N1149 S1150 | K1142-A1146 PolarHBondContact O-N 3.48Å; T1143-A1146 CarbonylContact O-C 3.51Å; T1143-A1146 WeakPolarHBondContact O-CA 3.12Å; T1143-A1146 WeakPolarHBondContact O-CB 3.37Å; T1143-A1146 PolarHBondContact O-N 2.85Å; A1146-N1149 CarbonylContact O-C 3.58Å; A1146-N1149 WeakPolarHBondContact O-CA 3.21Å; A1146-N1149 WeakPolarHBondContact O-CB 3.47Å; A1146-N1149 PolarHBondContact O-N 3.25Å; A1146-N1149 VanDerWaalsContact O-N 3.15Å; A1146-S1150 PolarHBondContact O-N 2.91Å |
| 1147 | A | 39.8 | Very low | 46.5 | Very low | 58 Ų | 58 | 108 Ų | 108 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73.4 | -40 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1143 N1149 S1150 I1151 | T1143-A1147 PolarHBondContact O-N 2.87Å; A1147-N1149 PolarHBondContact O-N 2.68Å; A1147-S1150 PolarHBondContact O-N 3.38Å; A1147-S1150 VanDerWaalsContact O-N 3.15Å; A1147-S1150 PolarHBondContact O-OG 3.46Å; A1147-I1151 PolarHBondContact O-N 3.19Å |
| 1148 | N | 45.4 | Very low | 46.1 | Very low | 99 Ų | 99 | 108.5 Ų | 108.5 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.8 | -38.6 | 166.1 | -84.3 | -7 | 0 | 0 | 0 | 110 | R1144 S1150 V1152 | R1144-N1148 WeakPolarHBondContact O-CB 3.32Å; R1144-N1148 PolarHBondContact O-N 3.15Å; N1148-S1150 VanDerWaalsContact C-N 3.25Å; N1148-S1150 PolarHBondContact O-N 3Å; N1148-V1152 WeakPolarHBondContact O-CA 3.38Å; N1148-V1152 WeakPolarHBondContact O-CB 3.13Å; N1148-V1152 WeakPolarHBondContact O-CG2 3.42Å; N1148-V1152 PolarHBondContact O-N 3.36Å |
| 1149 | N | 48 | Very low | 46 | Very low | 70 Ų | 70 | 108.1 Ų | 108.1 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -12.8 | 176.9 | -87.3 | -34.4 | 0 | 0 | 0 | 115.5 | K1145 A1146 A1147 R1153 | K1145-N1149 VanDerWaalsContact O-CB 3.22Å; K1145-N1149 WeakPolarHBondContact O-CB 3.38Å; K1145-N1149 PolarHBondContact O-N 3.04Å; K1145-N1149 PolarHBondContact O-ND2 3.4Å; A1146-N1149 CarbonylContact O-C 3.58Å; A1146-N1149 WeakPolarHBondContact O-CA 3.21Å; A1146-N1149 WeakPolarHBondContact O-CB 3.47Å; A1146-N1149 PolarHBondContact O-N 3.25Å; A1146-N1149 VanDerWaalsContact O-N 3.15Å; A1147-N1149 PolarHBondContact O-N 2.68Å; N1149-R1153 WeakPolarHBondContact O-CB 3.4Å; N1149-R1153 WeakPolarHBondContact O-CD 3.3Å; N1149-R1153 WeakPolarHBondContact O-CG 3.29Å; N1149-R1153 PolarHBondContact O-N 2.81Å; N1149-R1153 PolarHBondContact O-NE 2.78Å |
| 1150 | S | 47 | Very low | 46.1 | Very low | 62 Ų | 62 | 108.8 Ų | 108.8 | 43% | 0.434 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -88.6 | -48.2 | 173 | 59 | 0 | 0 | 0 | 0 | 112.2 | A1146 A1147 N1148 R1153 L1154 | A1146-S1150 PolarHBondContact O-N 2.91Å; A1147-S1150 PolarHBondContact O-N 3.38Å; A1147-S1150 VanDerWaalsContact O-N 3.15Å; A1147-S1150 PolarHBondContact O-OG 3.46Å; N1148-S1150 VanDerWaalsContact C-N 3.25Å; N1148-S1150 PolarHBondContact O-N 3Å; S1150-R1153 WeakPolarHBondContact O-CA 3.34Å; S1150-R1153 WeakPolarHBondContact O-CB 3.22Å; S1150-R1153 PolarHBondContact O-N 2.94Å; S1150-L1154 PolarHBondContact O-N 3.31Å |
| 1151 | I | 49.7 | Very low | 46.3 | Very low | 127 Ų | 127 | 111.1 Ų | 111.1 | 65% | 0.651 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.1 | -37.7 | 176.8 | -64.6 | 174.4 | 0 | 0 | 0 | 110.5 | A1147 R1153 L1154 T1155 | A1147-I1151 PolarHBondContact O-N 3.19Å; I1151-R1153 PolarHBondContact O-N 3.08Å; I1151-L1154 PolarHBondContact O-N 3.15Å; I1151-T1155 PolarHBondContact O-N 2.92Å; I1151-T1155 PolarHBondContact O-OG1 3.28Å |
| 1152 | V | 49.7 | Very low | 46.5 | Very low | 44 Ų | 44 | 109.9 Ų | 109.9 | 27% | 0.267 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -75.5 | -7.4 | 170.7 | -173.4 | 0 | 0 | 0 | 0 | 112 | N1148 T1155 K1156 | N1148-V1152 WeakPolarHBondContact O-CA 3.38Å; N1148-V1152 WeakPolarHBondContact O-CB 3.13Å; N1148-V1152 WeakPolarHBondContact O-CG2 3.42Å; N1148-V1152 PolarHBondContact O-N 3.36Å; V1152-T1155 WeakPolarHBondContact CA-OG1 3.49Å; V1152-K1156 HydrophobicContact CG1-CD 3.57Å; V1152-K1156 HydrophobicContact CG1-CG 3.65Å; V1152-K1156 WeakPolarHBondContact O-CA 3.32Å; V1152-K1156 WeakPolarHBondContact O-CB 2.95Å; V1152-K1156 VanDerWaalsContact O-CG 3.25Å; V1152-K1156 WeakPolarHBondContact O-CG 3.42Å; V1152-K1156 PolarHBondContact O-N 3.47Å |
| 1153 | R | 45.9 | Very low | 46.3 | Very low | 143 Ų | 143 | 107.7 Ų | 107.7 | 54% | 0.54 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -84.1 | -26.2 | 168.4 | -94.6 | 168 | -161.8 | 160.2 | 0.4 | 113.7 | N1149 S1150 I1151 K1156 R1157 | N1149-R1153 WeakPolarHBondContact O-CB 3.4Å; N1149-R1153 WeakPolarHBondContact O-CD 3.3Å; N1149-R1153 WeakPolarHBondContact O-CG 3.29Å; N1149-R1153 PolarHBondContact O-N 2.81Å; N1149-R1153 PolarHBondContact O-NE 2.78Å; S1150-R1153 WeakPolarHBondContact O-CA 3.34Å; S1150-R1153 WeakPolarHBondContact O-CB 3.22Å; S1150-R1153 PolarHBondContact O-N 2.94Å; I1151-R1153 PolarHBondContact O-N 3.08Å; R1153-K1156 CarbonylContact O-C 3.59Å; R1153-R1157 WeakPolarHBondContact O-CB 3.31Å; R1153-R1157 WeakPolarHBondContact O-CG 3.29Å; R1153-R1157 PolarHBondContact O-N 3.34Å; R1153-R1157 VanDerWaalsContact O-N 3.08Å |
| 1154 | L | 46.7 | Very low | 45.8 | Very low | 128 Ų | 128 | 112.8 Ų | 112.8 | 67% | 0.67 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -76.6 | -46 | 168.4 | -91.7 | 82.7 | 0 | 0 | 0 | 110.9 | S1150 I1151 R1157 I1158 | S1150-L1154 PolarHBondContact O-N 3.31Å; I1151-L1154 PolarHBondContact O-N 3.15Å; L1154-R1157 PolarHBondContact O-N 3.43Å; L1154-I1158 PolarHBondContact O-N 2.92Å |
| 1155 | T | 51.6 | Low | 45.6 | Very low | 84 Ų | 84 | 115.1 Ų | 115.1 | 52% | 0.515 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.4 | -32.9 | 177.7 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | I1151 V1152 R1157 K1159 | I1151-T1155 PolarHBondContact O-N 2.92Å; I1151-T1155 PolarHBondContact O-OG1 3.28Å; V1152-T1155 WeakPolarHBondContact CA-OG1 3.49Å; T1155-R1157 VanDerWaalsContact C-N 3.29Å; T1155-R1157 PolarHBondContact O-N 3.36Å; T1155-K1159 VanDerWaalsContact O-CB 3.3Å; T1155-K1159 WeakPolarHBondContact O-CB 3.28Å; T1155-K1159 PolarHBondContact O-N 3.45Å |
| 1156 | K | 49.6 | Very low | 45.2 | Very low | 100 Ų | 100 | 115.3 Ų | 115.3 | 44% | 0.435 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -86.1 | 24 | 161.1 | -56 | 178 | -178.8 | 168.6 | 0 | 113.5 | V1152 R1153 R1160 | V1152-K1156 HydrophobicContact CG1-CD 3.57Å; V1152-K1156 HydrophobicContact CG1-CG 3.65Å; V1152-K1156 WeakPolarHBondContact O-CA 3.32Å; V1152-K1156 WeakPolarHBondContact O-CB 2.95Å; V1152-K1156 VanDerWaalsContact O-CG 3.25Å; V1152-K1156 WeakPolarHBondContact O-CG 3.42Å; V1152-K1156 PolarHBondContact O-N 3.47Å; R1153-K1156 CarbonylContact O-C 3.59Å; K1156-R1160 HydrophobicContact CB-CG 4.45Å; K1156-R1160 WeakPolarHBondContact O-CB 3.4Å; K1156-R1160 WeakPolarHBondContact O-CD 3.4Å; K1156-R1160 WeakPolarHBondContact O-CG 3.37Å; K1156-R1160 VanDerWaalsContact O-CZ 3.3Å; K1156-R1160 PolarHBondContact O-NE 3.01Å; K1156-R1160 PolarHBondContact O-NH1 3.07Å |
| 1157 | R | 46.2 | Very low | 44.6 | Very low | 185 Ų | 185 | 122.2 Ų | 122.2 | 70% | 0.698 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -94.3 | -50.9 | 153 | -100.6 | 177.9 | 170 | 165.5 | -3.7 | 108 | R1153 L1154 T1155 K1159 R1160 D1161 | R1153-R1157 WeakPolarHBondContact O-CB 3.31Å; R1153-R1157 WeakPolarHBondContact O-CG 3.29Å; R1153-R1157 PolarHBondContact O-N 3.34Å; R1153-R1157 VanDerWaalsContact O-N 3.08Å; L1154-R1157 PolarHBondContact O-N 3.43Å; T1155-R1157 VanDerWaalsContact C-N 3.29Å; T1155-R1157 PolarHBondContact O-N 3.36Å; R1157-K1159 PolarHBondContact O-N 3.24Å; R1157-R1160 PolarHBondContact O-N 3.3Å; R1157-D1161 PolarHBondContact O-N 3.49Å |
| 1158 | I | 51.4 | Low | 44.4 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 70% | 0.703 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59.9 | -29.5 | 172 | -59.3 | 170.5 | 0 | 0 | 0 | 112.5 | L1154 | L1154-I1158 PolarHBondContact O-N 2.92Å |
| 1159 | K | 49.2 | Very low | 44 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 46% | 0.461 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.5 | -2.4 | 171.2 | -144.8 | -171.1 | -175.5 | -131.9 | 0 | 115.2 | T1155 R1157 E1163 | T1155-K1159 VanDerWaalsContact O-CB 3.3Å; T1155-K1159 WeakPolarHBondContact O-CB 3.28Å; T1155-K1159 PolarHBondContact O-N 3.45Å; R1157-K1159 PolarHBondContact O-N 3.24Å; K1159-E1163 WeakPolarHBondContact CE-OE2 3.26Å; K1159-E1163 IonicContact NZ-OE1 3.29Å; K1159-E1163 PolarHBondContact NZ-OE1 2.76Å; K1159-E1163 IonicContact NZ-OE2 3.29Å; K1159-E1163 PolarHBondContact NZ-OE2 3.08Å |
| 1160 | R | 44.7 | Very low | 43.2 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 45% | 0.449 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | -24.9 | 173.7 | -95.8 | 176.8 | -162.5 | 112.8 | -3.2 | 112.6 | K1156 R1157 I1162 | K1156-R1160 HydrophobicContact CB-CG 4.45Å; K1156-R1160 WeakPolarHBondContact O-CB 3.4Å; K1156-R1160 WeakPolarHBondContact O-CD 3.4Å; K1156-R1160 WeakPolarHBondContact O-CG 3.37Å; K1156-R1160 VanDerWaalsContact O-CZ 3.3Å; K1156-R1160 PolarHBondContact O-NE 3.01Å; K1156-R1160 PolarHBondContact O-NH1 3.07Å; R1157-R1160 PolarHBondContact O-N 3.3Å; R1160-I1162 PolarHBondContact O-N 3.25Å |
| 1161 | D | 45.9 | Very low | 42.6 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 3.3 | 174 | -53.7 | -19.8 | 0 | 0 | 0 | 112.7 | R1157 | R1157-D1161 PolarHBondContact O-N 3.49Š|
| 1162 | I | 48 | Very low | 41.9 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 67% | 0.667 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | -28.5 | -175.8 | -61.9 | -179.9 | 0 | 0 | 0 | 112.9 | R1160 | R1160-I1162 PolarHBondContact O-N 3.25Š|
| 1163 | E | 37.8 | Very low | 41.1 | Very low | 122 Ų | 122 | 140 Ų | 140 | 57% | 0.57 | 69% | 0.693 | S | S | * | * | trans | -126.5 | 49 | -178 | -72.1 | 169.9 | 176.6 | 0 | 0 | 111.5 | K1159 F1165 | K1159-E1163 WeakPolarHBondContact CE-OE2 3.26Å; K1159-E1163 IonicContact NZ-OE1 3.29Å; K1159-E1163 PolarHBondContact NZ-OE1 2.76Å; K1159-E1163 IonicContact NZ-OE2 3.29Å; K1159-E1163 PolarHBondContact NZ-OE2 3.08Å; E1163-F1165 PolarHBondContact O-N 2.91Å; E1163-F1165 VanDerWaalsContact O-N 3.12Å | ||
| 1164 | E | 37.1 | Very low | 40.3 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | trans | -74.7 | 18.8 | 171.3 | -155.1 | 174.2 | -154.5 | 0 | 0 | 113.2 | ||||
| 1165 | F | 35.9 | Very low | 39.6 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 79% | 0.789 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -121.6 | 113 | -179.3 | -111.2 | -108.2 | 0 | 0 | 0 | 111.9 | E1163 | E1163-F1165 PolarHBondContact O-N 2.91Å; E1163-F1165 VanDerWaalsContact O-N 3.12Å |
| 1166 | N | 35 | Very low | 38.6 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | 80.1 | 95.1 | 158.8 | -57.2 | -21.4 | 0 | 0 | 0 | 119.4 | ||||
| 1167 | K | 32.6 | Very low | 37.7 | Very low | 204 Ų | 204 | 148.6 Ų | 148.6 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | trans | -86.2 | 178.6 | 163.3 | -69.2 | 169.9 | 175.5 | 164.3 | 0 | 112.3 | ||||
| 1168 | S | 35.2 | Very low | 37 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | 87.1 | 143.9 | 162.2 | 81.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1169 | S | 36.9 | Very low | 36 | Very low | 123 Ų | 123 | 150 Ų | 150 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | cis | -131.6 | -134.6 | 5.7 | 57.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1170 | M | 31.2 | Very low | 35 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -161.3 | -166.7 | -131.4 | -150 | 159.7 | 62.9 | 0 | 0 | 116.8 | ||||
| 1171 | S | 34.9 | Very low | 34.4 | Very low | 104 Ų | 104 | 152.2 Ų | 152.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 72.5 | 126.5 | 173 | 48.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1172 | Y | 34.4 | Very low | 33.5 | Very low | 220 Ų | 220 | 152.5 Ų | 152.5 | 86% | 0.863 | 79% | 0.785 | S | S | * | * | 74.3 | 139.3 | 63.2 | -99.1 | -119.6 | 0 | 0 | 0 | 112.8 | |||||
| 1173 | S | 33 | Very low | 32.9 | Very low | 90 Ų | 90 | 154.2 Ų | 154.2 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | cis | -168 | 173 | -4.6 | 42 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1174 | Q | 30.1 | Very low | 32.4 | Very low | 167 Ų | 167 | 154.6 Ų | 154.6 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -36.4 | 149.9 | 169.2 | -58 | 155.3 | -66.4 | 0 | 0 | 116.2 | ||||
| 1175 | N | 31.3 | Very low | 32.1 | Very low | 145 Ų | 145 | 150.8 Ų | 150.8 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | 179.4 | 164.4 | 110 | -102.1 | -14.9 | 0 | 0 | 0 | 116.8 | |||||
| 1176 | I | 31 | Very low | 32.1 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | 93.1 | 115.2 | 156.6 | -67.1 | 140 | 0 | 0 | 0 | 118.9 | ||||
| 1177 | Q | 31 | Very low | 31.8 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -83.9 | 179.6 | 163.8 | -64.8 | 156.6 | -86 | 0 | 0 | 111 | ||||
| 1178 | N | 31.5 | Very low | 31.8 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | 88.3 | 102.8 | 167.2 | -50 | -15.6 | 0 | 0 | 0 | 115.6 | ||||
| 1179 | F | 29.7 | Very low | 31.6 | Very low | 209 Ų | 209 | 148 Ų | 148 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | -159.8 | 118.6 | 122.9 | -101.9 | -70.6 | 0 | 0 | 0 | 109.7 | |||||
| 1180 | I | 28.6 | Very low | 31.3 | Very low | 158 Ų | 158 | 150.1 Ų | 150.1 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -120.3 | 131.1 | 165.7 | -69 | 170.2 | 0 | 0 | 0 | 102.6 | ||||
| 1181 | P | 31.2 | Very low | 31.2 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -154.8 | -179.4 | 91.2 | 40.2 | -18.8 | 0 | 0 | 0 | 117.3 | |||||
| 1182 | D | 27.7 | Very low | 31.1 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -50.5 | 144.8 | -179.1 | -53.3 | -72.6 | 0 | 0 | 0 | 116.2 | ||||
| 1183 | L | 34.1 | Very low | 31 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -148.5 | 119.9 | 149.1 | -128.8 | 102.3 | 0 | 0 | 0 | 109.4 | ||||
| 1184 | T | 27.7 | Very low | 30.9 | Very low | 131 Ų | 131 | 150.8 Ų | 150.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -65.6 | 147.1 | 155.7 | 44.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1185 | P | 31.8 | Very low | 31.2 | Very low | 98 Ų | 98 | 150.8 Ų | 150.8 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | -152.6 | 152.5 | 111.3 | 36 | -17.7 | 0 | 0 | 0 | 116.6 | |||||
| 1186 | D | 34.6 | Very low | 31.2 | Very low | 157 Ų | 157 | 155.5 Ų | 155.5 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | 54.2 | 135.6 | 131.9 | -53.3 | -27.8 | 0 | 0 | 0 | 124.4 | ||||
| 1187 | L | 29.5 | Very low | 31.6 | Very low | 145 Ų | 145 | 154 Ų | 154 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -63.7 | 163.9 | 163.3 | -88.5 | 64.7 | 0 | 0 | 0 | 112.9 | ||||
| 1188 | H | 32.3 | Very low | 32.4 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 75.4 | 120.2 | 155.3 | -74.6 | -61.8 | 0 | 0 | 0 | 120 | ||
| 1189 | N | 31 | Very low | 33.3 | Very low | 133 Ų | 133 | 155.7 Ų | 155.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | 47.6 | 80.5 | 145.5 | -72.4 | -5 | 0 | 0 | 0 | 117.8 | ||||
| 1190 | N | 31 | Very low | 34.9 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -146.6 | 90.4 | 135.1 | -97.3 | -43.7 | 0 | 0 | 0 | 111.4 | ||||
| 1191 | N | 29.8 | Very low | 37 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | -65.7 | 152.4 | 166.3 | -72.2 | -41.4 | 0 | 0 | 0 | 110.3 | ||||
| 1192 | N | 32.7 | Very low | 39.2 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 101.5 | 13.8 | 158.2 | -49.7 | -29.1 | 0 | 0 | 0 | 121.4 | ||
| 1193 | I | 32.2 | Very low | 41.9 | Very low | 166 Ų | 166 | 135 Ų | 135 | 85% | 0.851 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -113 | -14.9 | 179.1 | -64.5 | -176.6 | 0 | 0 | 0 | 116.6 | ||
| 1194 | L | 31.3 | Very low | 44.4 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 85% | 0.848 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -116.5 | 13.3 | -177 | -96.7 | 163.3 | 0 | 0 | 0 | 117.4 | R1196 | L1194-R1196 VanDerWaalsContact C-N 3.33Å; L1194-R1196 PolarHBondContact O-N 3.05Å |
| 1195 | Q | 35.5 | Very low | 47.1 | Very low | 168 Ų | 168 | 124 Ų | 124 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | trans | -80.9 | 15.6 | -175.1 | -87.8 | -174.3 | -18.4 | 0 | 0 | 116.8 | ||||
| 1196 | R | 30.8 | Very low | 49.6 | Very low | 244 Ų | 244 | 119.6 Ų | 119.6 | 92% | 0.921 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -102 | 5.8 | -160.9 | -106.4 | -179.3 | -177.4 | 175 | 2.4 | 119.8 | L1194 | L1194-R1196 VanDerWaalsContact C-N 3.33Å; L1194-R1196 PolarHBondContact O-N 3.05Å |
| 1197 | T | 39 | Very low | 51.4 | Low | 126 Ų | 126 | 116.4 Ų | 116.4 | 77% | 0.773 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -122.6 | -9.2 | -178.7 | 46.1 | 0 | 0 | 0 | 0 | 117.2 | K1199 | T1197-K1199 VanDerWaalsContact C-N 3.34Å; T1197-K1199 PolarHBondContact O-N 3.24Å |
| 1198 | F | 48.6 | Very low | 53 | Low | 138 Ų | 138 | 114 Ų | 114 | 61% | 0.605 | 56% | 0.564 | S | S | * | * | trans | -79.6 | -2.3 | -174.4 | -71.7 | -73.6 | 0 | 0 | 0 | 116.6 | N1200 R1201 | F1198-N1200 PolarHBondContact O-N 2.96Å; F1198-R1201 PolarHBondContact O-N 2.85Å | ||
| 1199 | K | 51 | Low | 54 | Low | 208 Ų | 208 | 113.1 Ų | 113.1 | 90% | 0.904 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -5.5 | -162.6 | -119.2 | 179.7 | -176.5 | 179.4 | 0 | 117.7 | T1197 | T1197-K1199 VanDerWaalsContact C-N 3.34Å; T1197-K1199 PolarHBondContact O-N 3.24Å |
| 1200 | N | 62.6 | Low | 54.6 | Low | 84 Ų | 84 | 111.4 Ų | 111.4 | 45% | 0.449 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.1 | -5.7 | -178.6 | -91.8 | -14.1 | 0 | 0 | 0 | 115.1 | F1198 | F1198-N1200 PolarHBondContact O-N 2.96Š|
| 1201 | R | 72.2 | Confident | 54.8 | Low | 49 Ų | 49 | 111 Ų | 111 | 19% | 0.185 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -75.3 | 125.7 | -175.4 | -169.6 | 167 | -166.7 | -143.3 | 5 | 111.4 | F1198 D1263 Q1265 S1322 | F1198-R1201 PolarHBondContact O-N 2.85Å; R1201-D1263 WeakPolarHBondContact CA-O 3.17Å; R1201-D1263 VanDerWaalsContact CB-OD2 3.31Å; R1201-D1263 WeakPolarHBondContact CB-OD2 3.43Å; R1201-D1263 WeakPolarHBondContact CD-OD2 3.24Å; R1201-D1263 VanDerWaalsContact CG-OD2 3.29Å; R1201-D1263 WeakPolarHBondContact CG-OD2 3.25Å; R1201-D1263 IonicContact NE-OD1 3.83Å; R1201-D1263 PolarHBondContact NE-OD1 2.77Å; R1201-D1263 IonicContact NE-OD2 3.68Å; R1201-Q1265 HydrophobicContact CG-CB 4.49Å; R1201-Q1265 VanDerWaalsContact CZ-CD 3.48Å; R1201-Q1265 VanDerWaalsContact NH1-OE1 3.15Å; R1201-S1322 PolarHBondContact NH2-OG 2.76Å |
| 1202 | I | 78.8 | Confident | 55 | Low | 5 Ų | 5 | 108.9 Ų | 108.9 | 3% | 0.026 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.5 | 129.4 | 170.1 | -73.1 | -173.8 | 0 | 0 | 0 | 109.3 | L1204 Y1223 K1261 D1263 I1264 Q1265 | I1202-L1204 HydrophobicContact CG2-CD2 3.6Å; I1202-L1204 HydrophobicContact CG2-CG 4.04Å; I1202-Y1223 HydrophobicContact CD1-CD2 3.99Å; I1202-Y1223 HydrophobicContact CD1-CE2 3.52Å; I1202-Y1223 HydrophobicContact CG1-CE2 4.38Å; I1202-K1261 HydrophobicContact CD1-CB 3.89Å; I1202-K1261 HydrophobicContact CD1-CD 3.57Å; I1202-K1261 HydrophobicContact CD1-CG 3.42Å; I1202-K1261 VanDerWaalsContact CD1-CG 3.42Å; I1202-K1261 HydrophobicContact CG1-CD 3.93Å; I1202-K1261 HydrophobicContact CG1-CG 4.27Å; I1202-D1263 PolarHBondContact N-O 2.9Å; I1202-I1264 CarbonylContact O-C 3.55Å; I1202-I1264 WeakPolarHBondContact O-CA 3.35Å; I1202-Q1265 PolarHBondContact O-N 2.98Å |
| 1203 | I | 82.8 | Confident | 54.8 | Low | 55 Ų | 55 | 109.1 Ų | 109.1 | 28% | 0.282 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 116.5 | 169.5 | -54.6 | 177.4 | 0 | 0 | 0 | 108 | N1205 N1221 Q1265 I1267 | I1203-N1205 HydrophobicContact CG2-CB 4.24Å; I1203-N1221 PolarHBondContact N-ND2 2.87Å; I1203-Q1265 HydrophobicContact CG1-CB 4.39Å; I1203-I1267 HydrophobicContact CG2-CD1 3.55Å; I1203-I1267 HydrophobicContact CG2-CG1 4.18Å |
| 1204 | L | 86.3 | Confident | 54.6 | Low | 5 Ų | 5 | 110.1 Ų | 110.1 | 3% | 0.026 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.5 | 99.7 | 171.5 | -59.1 | 178.6 | 0 | 0 | 0 | 108.1 | P1073 L1082 I1202 I1225 F1256 I1264 Q1265 F1266 I1267 | P1073-L1204 HydrophobicContact CB-CB 4.13Å; P1073-L1204 HydrophobicContact CG-CB 4.09Å; P1073-L1204 WeakPolarHBondContact CG-O 3.41Å; L1082-L1204 HydrophobicContact CD1-CD2 4.17Å; L1082-L1204 HydrophobicContact CD2-CD2 4.35Å; I1202-L1204 HydrophobicContact CG2-CD2 3.6Å; I1202-L1204 HydrophobicContact CG2-CG 4.04Å; L1204-I1225 HydrophobicContact CB-CD1 4.28Å; L1204-I1225 HydrophobicContact CD2-CD1 3.79Å; L1204-F1256 HydrophobicContact CD1-CE1 3.89Å; L1204-F1256 HydrophobicContact CD1-CZ 3.8Å; L1204-I1264 HydrophobicContact CD1-CG2 3.57Å; L1204-I1264 HydrophobicContact CG-CG2 3.96Å; L1204-Q1265 PolarHBondContact N-O 3.48Å; L1204-F1266 HydrophobicContact CB-CD2 4.33Å; L1204-F1266 HydrophobicContact CD1-CD2 4.05Å; L1204-I1267 WeakPolarHBondContact O-CB 3.41Å; L1204-I1267 PolarHBondContact O-N 2.67Å |
| 1205 | N | 85.3 | Confident | 54.4 | Low | 60 Ų | 60 | 107.8 Ų | 107.8 | 32% | 0.321 | 56% | 0.561 | S | S | . | * | trans | -135.7 | 163.6 | 176 | 68.3 | -11.4 | 0 | 0 | 0 | 111.7 | I1203 I1267 | I1203-N1205 HydrophobicContact CG2-CB 4.24Å; N1205-I1267 HydrophobicContact CB-CB 4Å; N1205-I1267 HydrophobicContact CB-CD1 4.2Å; N1205-I1267 HydrophobicContact CB-CG1 4.42Å; N1205-I1267 HydrophobicContact CB-CG2 4.46Å | ||
| 1206 | C | 84.4 | Confident | 54.3 | Low | 5 Ų | 5 | 106.4 Ų | 106.4 | 3% | 0.034 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -91.5 | 140.6 | 173.6 | -62 | 0 | 0 | 0 | 0 | 110.5 | Q1071 C1227 R1269 | Q1071-C1206 HydrophobicContact CB-CB 4.21Å; C1206-C1227 WeakPolarHBondContact CA-SG 3.24Å; C1206-C1227 HydrophobicContact CB-CB 3.98Å; C1206-C1227 WeakPolarHBondContact CB-SG 3.37Å; C1206-C1227 WeakPolarHBondContact SG-CB 3.43Å; C1206-C1227 CovalentContact SG-SG 2.03Å; C1206-C1227 PolarHBondContact SG-SG 2.79Å; C1206-R1269 PolarHBondContact O-NH1 2.82Å; C1206-R1269 PolarHBondContact O-NH2 2.9Å |
| 1207 | P | 72.3 | Confident | 54.2 | Low | 91 Ų | 91 | 103.1 Ų | 103.1 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 147.2 | 173.7 | 26.2 | -33.7 | 0 | 0 | 0 | 110.9 | R1269 | P1207-R1269 PolarHBondContact O-NH1 3.44Š|
| 1208 | H | 63.5 | Low | 53.9 | Low | 93 Ų | 93 | 102.9 Ų | 102.9 | 43% | 0.431 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 130.5 | 173.5 | -84.9 | -88.9 | 0 | 0 | 0 | 110.4 | T1210 R1269 Y1316 E1318 | H1208-T1210 PolarHBondContact O-N 2.78Å; H1208-R1269 PolarHBondContact CD2-NH2 3.11Å; H1208-R1269 PolarHBondContact NE2-NH2 2.83Å; H1208-Y1316 AromaticContact CE1-CD2 3.98Å; H1208-Y1316 AromaticContact CE1-CE1 3.95Å; H1208-Y1316 AromaticContact CE1-CE2 3.58Å; H1208-Y1316 AromaticContact CE1-CZ 3.58Å; H1208-E1318 IonicContact NE2-OE1 3.66Å |
| 1209 | L | 54 | Low | 53.2 | Low | 142 Ų | 142 | 101.9 Ų | 101.9 | 74% | 0.743 | 55% | 0.553 | S | S | * | * | trans | -81.8 | 88.7 | 165.6 | -75.9 | 92 | 0 | 0 | 0 | 109.2 | ||||
| 1210 | T | 43.2 | Very low | 53 | Low | 97 Ų | 97 | 100.6 Ų | 100.6 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | trans | -103 | 119.3 | 160.8 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | H1208 S1212 | H1208-T1210 PolarHBondContact O-N 2.78Å; T1210-S1212 PolarHBondContact O-N 2.92Å | ||
| 1211 | T | 34 | Very low | 52.4 | Low | 159 Ų | 159 | 99.1 Ų | 99.1 | 98% | 0.975 | 54% | 0.543 | S | S | * | . | trans | -69.2 | 77.1 | 175.5 | 32.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1212 | S | 33.8 | Very low | 51.7 | Low | 92 Ų | 92 | 105.7 Ų | 105.7 | 64% | 0.643 | 58% | 0.575 | S | S | * | * | trans | -149 | 126 | 167.4 | -179 | 0 | 0 | 0 | 0 | 109.6 | T1210 K1214 | T1210-S1212 PolarHBondContact O-N 2.92Å; S1212-K1214 VanDerWaalsContact C-N 3.3Å; S1212-K1214 PolarHBondContact O-N 2.89Å | ||
| 1213 | T | 28.5 | Very low | 50.9 | Low | 143 Ų | 143 | 109.1 Ų | 109.1 | 88% | 0.877 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -70.1 | 80.5 | 177.5 | 36.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1214 | K | 29.5 | Very low | 50.3 | Low | 186 Ų | 186 | 114.4 Ų | 114.4 | 81% | 0.809 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -162.2 | 128.4 | 159.4 | -105.4 | 153.9 | -172.3 | -178.2 | 0 | 110 | S1212 I1216 | S1212-K1214 VanDerWaalsContact C-N 3.3Å; S1212-K1214 PolarHBondContact O-N 2.89Å; K1214-I1216 PolarHBondContact O-N 2.8Å |
| 1215 | S | 27.4 | Very low | 50.1 | Low | 114 Ų | 114 | 115.4 Ų | 115.4 | 80% | 0.797 | 62% | 0.615 | S | S | * | * | trans | -69.8 | 106.7 | -174.5 | 43.6 | 0 | 0 | 0 | 0 | 112.7 | K1217 | S1215-K1217 PolarHBondContact O-N 2.82Š| ||
| 1216 | I | 32.3 | Very low | 50 | Low | 139 Ų | 139 | 117.5 Ų | 117.5 | 71% | 0.713 | 62% | 0.621 | S | S | * | * | trans | -79.5 | 105.3 | 169 | -59.1 | 177.7 | 0 | 0 | 0 | 108.3 | K1214 T1218 | K1214-I1216 PolarHBondContact O-N 2.8Å; I1216-T1218 PolarHBondContact O-N 2.83Å | ||
| 1217 | K | 29.1 | Very low | 50.3 | Low | 174 Ų | 174 | 118.9 Ų | 118.9 | 76% | 0.757 | 63% | 0.63 | S | S | * | * | trans | -72.7 | 110.3 | 169 | -69.1 | 177.8 | 179.3 | 175.2 | 0 | 108.9 | S1215 T1219 | S1215-K1217 PolarHBondContact O-N 2.82Å; K1217-T1219 VanDerWaalsContact C-N 3.25Å; K1217-T1219 HydrophobicContact CB-CG2 4.15Å; K1217-T1219 PolarHBondContact O-N 3.1Å | ||
| 1218 | T | 32.6 | Very low | 51.1 | Low | 121 Ų | 121 | 114.6 Ų | 114.6 | 74% | 0.742 | 60% | 0.602 | S | S | * | * | trans | -73.7 | 83.6 | 162.8 | 38.5 | 0 | 0 | 0 | 0 | 109.6 | I1216 E1220 | I1216-T1218 PolarHBondContact O-N 2.83Å; T1218-E1220 VanDerWaalsContact C-N 3.26Å; T1218-E1220 PolarHBondContact O-N 2.66Å | ||
| 1219 | T | 34.5 | Very low | 52.4 | Low | 117 Ų | 117 | 114 Ų | 114 | 72% | 0.718 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 76.4 | 174.9 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | K1217 | K1217-T1219 VanDerWaalsContact C-N 3.25Å; K1217-T1219 HydrophobicContact CB-CG2 4.15Å; K1217-T1219 PolarHBondContact O-N 3.1Å |
| 1220 | E | 46.7 | Very low | 54.2 | Low | 182 Ų | 182 | 107.2 Ų | 107.2 | 85% | 0.85 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.2 | -9.6 | 156.2 | -114.6 | 159.2 | -150.1 | 0 | 0 | 116.8 | T1218 | T1218-E1220 VanDerWaalsContact C-N 3.26Å; T1218-E1220 PolarHBondContact O-N 2.66Å |
| 1221 | N | 50.5 | Low | 56.5 | Low | 53 Ų | 53 | 106.4 Ų | 106.4 | 28% | 0.283 | 56% | 0.556 | S | S | . | * | trans | -131.8 | 122.9 | 173.5 | -84.1 | -63.5 | 0 | 0 | 0 | 112.4 | I1203 Y1223 | I1203-N1221 PolarHBondContact N-ND2 2.87Å; N1221-Y1223 PolarHBondContact O-N 3.2Å; N1221-Y1223 VanDerWaalsContact O-N 3.09Å | ||
| 1222 | H | 55.7 | Low | 59.3 | Low | 187 Ų | 187 | 98.8 Ų | 98.8 | 87% | 0.866 | 51% | 0.51 | S | S | * | . | trans | -76.5 | 17.5 | -176.2 | -80.3 | -5.9 | 0 | 0 | 0 | 115.4 | ||||
| 1223 | Y | 63.7 | Low | 62.1 | Low | 77 Ų | 77 | 97 Ų | 97 | 30% | 0.302 | 49% | 0.491 | S | S | . | . | trans | -119.6 | 114.3 | -176.9 | -56 | -76.8 | 0 | 0 | 0 | 109.9 | I1202 N1221 L1259 | I1202-Y1223 HydrophobicContact CD1-CD2 3.99Å; I1202-Y1223 HydrophobicContact CD1-CE2 3.52Å; I1202-Y1223 HydrophobicContact CG1-CE2 4.38Å; N1221-Y1223 PolarHBondContact O-N 3.2Å; N1221-Y1223 VanDerWaalsContact O-N 3.09Å; Y1223-L1259 HydrophobicContact CE1-CD1 4.41Å; Y1223-L1259 HydrophobicContact CE1-CD2 4.02Å | ||
| 1224 | F | 68.7 | Low | 65 | Low | 165 Ų | 165 | 90.1 Ų | 90.1 | 72% | 0.724 | 45% | 0.449 | S | S | * | . | trans | -74.8 | 126.9 | 167.4 | -64 | -85.4 | 0 | 0 | 0 | 108.8 | T1077 | T1077-F1224 HydrophobicContact CG2-CB 3.45Å; T1077-F1224 VanDerWaalsContact CG2-CB 3.45Å; T1077-F1224 PolarHBondContact N-O 2.86Å | ||
| 1225 | I | 81.9 | Confident | 67.7 | Low | 26 Ų | 26 | 87.9 Ų | 87.9 | 13% | 0.133 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.9 | -174.8 | -65.2 | 172.5 | 0 | 0 | 0 | 109.2 | P1073 L1082 L1204 | P1073-I1225 HydrophobicContact CB-CG2 3.78Å; L1082-I1225 HydrophobicContact CD1-CG1 4.4Å; L1082-I1225 HydrophobicContact CD1-CG2 4.25Å; L1204-I1225 HydrophobicContact CB-CD1 4.28Å; L1204-I1225 HydrophobicContact CD2-CD1 3.79Å |
| 1226 | K | 84.8 | Confident | 70.4 | Confident | 105 Ų | 105 | 86.5 Ų | 86.5 | 46% | 0.457 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120.2 | 170.8 | -177.3 | 178.4 | 168.3 | -162.4 | 0 | 107.9 | Y1074 E1075 | Y1074-K1226 PolarHBondContact N-O 2.85Å; E1075-K1226 HydrophobicContact CB-CB 4.41Å; E1075-K1226 PolarHBondContact N-O 2.78Å; E1075-K1226 WeakPolarHBondContact O-CB 3.47Å; E1075-K1226 PolarHBondContact O-N 2.04Å; E1075-K1226 IonicContact OE2-NZ 2.64Å; E1075-K1226 PolarHBondContact OE2-NZ 3.19Å |
| 1227 | C | 88.8 | Confident | 73 | Confident | 34 Ų | 34 | 79.9 Ų | 79.9 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 151.4 | -176.7 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | L1072 C1206 | L1072-C1227 VanDerWaalsContact O-CA 3.27Å; L1072-C1227 WeakPolarHBondContact O-CA 3.48Å; L1072-C1227 WeakPolarHBondContact O-CB 3.41Å; C1206-C1227 WeakPolarHBondContact CA-SG 3.24Å; C1206-C1227 HydrophobicContact CB-CB 3.98Å; C1206-C1227 WeakPolarHBondContact CB-SG 3.37Å; C1206-C1227 WeakPolarHBondContact SG-CB 3.43Å; C1206-C1227 CovalentContact SG-SG 2.03Å; C1206-C1227 PolarHBondContact SG-SG 2.79Å |
| 1228 | I | 90.3 | Very high | 75.6 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.4 | 164.9 | -174.7 | 177.5 | 0 | 0 | 0 | 108.7 | Q1071 L1072 L1085 I1121 F1125 I1230 | Q1071-I1228 WeakPolarHBondContact CA-O 3.16Å; L1072-I1228 HydrophobicContact CB-CG2 3.69Å; L1072-I1228 HydrophobicContact CD1-CG2 4.4Å; L1072-I1228 HydrophobicContact CG-CG2 4.33Å; L1072-I1228 PolarHBondContact N-O 2.87Å; L1072-I1228 PolarHBondContact O-N 2.82Å; L1085-I1228 HydrophobicContact CD1-CD1 4.12Å; I1121-I1228 HydrophobicContact CG2-CD1 3.81Å; F1125-I1228 HydrophobicContact CB-CD1 3.51Å; F1125-I1228 HydrophobicContact CD1-CD1 4.33Å; F1125-I1228 HydrophobicContact CD2-CD1 3.36Å; F1125-I1228 HydrophobicContact CD2-CG1 3.66Å; F1125-I1228 HydrophobicContact CE2-CB 4.46Å; F1125-I1228 HydrophobicContact CE2-CD1 4.05Å; F1125-I1228 HydrophobicContact CE2-CG1 3.81Å; F1125-I1228 HydrophobicContact CG-CD1 3.5Å; F1125-I1228 HydrophobicContact CG-CG1 4.12Å; F1125-I1228 HydrophobicContact CZ-CG1 4.39Å; I1228-I1230 HydrophobicContact CD1-CD1 4.34Å; I1228-I1230 HydrophobicContact CD1-CG1 4Å; I1228-I1230 HydrophobicContact CG1-CG1 4.03Å |
| 1229 | N | 90.3 | Very high | 78 | Confident | 79 Ų | 79 | 75.4 Ų | 75.4 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.5 | 167.9 | -66.2 | -13.7 | 0 | 0 | 0 | 107.1 | I1069 | I1069-N1229 HydrophobicContact CG2-CB 3.93Å |
| 1230 | I | 91.5 | Very high | 80.3 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.6 | 176.5 | -60.2 | 171.8 | 0 | 0 | 0 | 106.8 | I1069 L1070 L1072 C1119 I1121 I1228 | I1069-I1230 WeakPolarHBondContact CA-O 3.38Å; L1070-I1230 HydrophobicContact CB-CB 4.22Å; L1070-I1230 HydrophobicContact CD2-CD1 4.21Å; L1070-I1230 PolarHBondContact N-O 3.47Å; L1070-I1230 PolarHBondContact O-N 3.32Å; L1072-I1230 HydrophobicContact CD1-CD1 3.85Å; C1119-I1230 HydrophobicContact CB-CG2 4.15Å; I1121-I1230 HydrophobicContact CD1-CD1 3.89Å; I1121-I1230 HydrophobicContact CD1-CG1 4.48Å; I1121-I1230 HydrophobicContact CG1-CB 4.43Å; I1121-I1230 HydrophobicContact CG1-CD1 3.91Å; I1121-I1230 HydrophobicContact CG1-CG1 3.95Å; I1121-I1230 HydrophobicContact CG1-CG2 3.7Å; I1228-I1230 HydrophobicContact CD1-CD1 4.34Å; I1228-I1230 HydrophobicContact CD1-CG1 4Å; I1228-I1230 HydrophobicContact CG1-CG1 4.03Å |
| 1231 | Q | 91.5 | Very high | 82.1 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 133.6 | -179.1 | -168.5 | 168.6 | 7 | 0 | 0 | 109.8 | S1067 C1119 E1120 H1233 | S1067-Q1231 PolarHBondContact OG-NE2 2.9Å; S1067-Q1231 VanDerWaalsContact OG-NE2 3.1Å; C1119-Q1231 CarbonylContact C-O 3.09Å; C1119-Q1231 VanDerWaalsContact CA-O 3.29Å; C1119-Q1231 WeakPolarHBondContact CA-O 3.4Å; E1120-Q1231 PolarHBondContact N-O 2.98Å; E1120-Q1231 PolarHBondContact O-N 3.01Å; Q1231-H1233 PolarHBondContact NE2-CE1 2.83Å; Q1231-H1233 VanDerWaalsContact NE2-CE1 3.32Å |
| 1232 | C | 93.2 | Very high | 83.9 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 120.7 | -171.2 | -75.6 | 0 | 0 | 0 | 0 | 109.6 | L1068 I1108 T1118 C1119 L1245 | L1068-C1232 HydrophobicContact CB-CB 4.09Å; L1068-C1232 PolarHBondContact N-O 3.02Å; L1068-C1232 PolarHBondContact O-N 2.99Å; I1108-C1232 HydrophobicContact CD1-CB 3.98Å; T1118-C1232 WeakPolarHBondContact O-CA 3.04Å; C1119-C1232 HydrophobicContact CB-CB 4.2Å; C1119-C1232 WeakPolarHBondContact CB-SG 2.93Å; C1119-C1232 WeakPolarHBondContact SG-CB 3.02Å; C1119-C1232 CovalentContact SG-SG 2.04Å; C1119-C1232 PolarHBondContact SG-SG 3.44Å; C1232-L1245 HydrophobicContact CB-CD1 4.25Å |
| 1233 | H | 92.1 | Very high | 85.6 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 25% | 0.245 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.9 | -175 | -65.3 | -74 | 0 | 0 | 0 | 111.6 | L1066 G1117 T1118 Q1231 | L1066-H1233 WeakPolarHBondContact O-CA 3.39Å; G1117-H1233 CarbonylContact C-O 3.5Å; G1117-H1233 WeakPolarHBondContact CA-O 3.11Å; T1118-H1233 PolarHBondContact N-O 2.76Å; T1118-H1233 PolarHBondContact O-N 3.01Å; Q1231-H1233 PolarHBondContact NE2-CE1 2.83Å; Q1231-H1233 VanDerWaalsContact NE2-CE1 3.32Å |
| 1234 | I | 90.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119.3 | 170.9 | -54.7 | -174.7 | 0 | 0 | 0 | 108.3 | I1055 N1065 L1066 L1068 I1108 F1237 | I1055-I1234 HydrophobicContact CD1-CD1 4.35Å; N1065-I1234 CarbonylContact C-O 3.54Å; N1065-I1234 VanDerWaalsContact CA-O 3.32Å; N1065-I1234 WeakPolarHBondContact CA-O 3.48Å; N1065-I1234 PolarHBondContact N-O 2.98Å; L1066-I1234 HydrophobicContact CB-CB 4.36Å; L1066-I1234 HydrophobicContact CD2-CD1 4.41Å; L1066-I1234 PolarHBondContact N-O 3.44Å; L1066-I1234 PolarHBondContact O-N 3Å; L1068-I1234 HydrophobicContact CD1-CD1 3.71Å; L1068-I1234 HydrophobicContact CD1-CG1 4.06Å; I1108-I1234 HydrophobicContact CD1-CG1 4.2Å; I1108-I1234 HydrophobicContact CG2-CD1 4.32Å; I1108-I1234 HydrophobicContact CG2-CG1 4.08Å; I1234-F1237 HydrophobicContact CG2-CB 3.98Å; I1234-F1237 HydrophobicContact CG2-CD2 4.48Å; I1234-F1237 HydrophobicContact CG2-CG 4.27Å |
| 1235 | K | 86.1 | Confident | 88.1 | Confident | 138 Ų | 138 | 49.9 Ų | 49.9 | 60% | 0.6 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -41.8 | -170.8 | -69.6 | -175.7 | 177.8 | 179.7 | 0 | 113.1 | T1064 N1065 Y1116 | T1064-K1235 WeakPolarHBondContact CA-O 3.26Å; N1065-K1235 PolarHBondContact N-O 3.03Å; Y1116-K1235 PolarHBondContact O-N 2.79Å |
| 1236 | H | 85.3 | Confident | 88.5 | Confident | 86 Ų | 86 | 51.2 Ų | 51.2 | 40% | 0.398 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 130.5 | -178.1 | -165.6 | 68.7 | 0 | 0 | 0 | 109.1 | K1238 | H1236-K1238 WeakPolarHBondContact NE2-CE 3.45Å |
| 1237 | F | 86.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 95.5 | -171.2 | -164.7 | -143.6 | 0 | 0 | 0 | 109.7 | V1010 I1055 N1057 L1063 L1066 I1234 D1241 V1243 | V1010-F1237 HydrophobicContact CG1-CE1 4.06Å; V1010-F1237 HydrophobicContact CG2-CD1 4.27Å; V1010-F1237 HydrophobicContact CG2-CE1 3.95Å; I1055-F1237 HydrophobicContact CB-CZ 4.39Å; I1055-F1237 HydrophobicContact CG2-CE1 3.96Å; I1055-F1237 HydrophobicContact CG2-CZ 3.88Å; I1055-F1237 WeakPolarHBondContact O-CZ 3.09Å; N1057-F1237 HydrophobicContact CB-CD1 3.78Å; N1057-F1237 HydrophobicContact CB-CD2 4.48Å; N1057-F1237 HydrophobicContact CB-CE1 3.64Å; N1057-F1237 HydrophobicContact CB-CE2 4.34Å; N1057-F1237 HydrophobicContact CB-CG 4.2Å; N1057-F1237 HydrophobicContact CB-CZ 3.93Å; N1057-F1237 VanDerWaalsContact N-CZ 3.31Å; N1057-F1237 PolarHBondContact ND2-O 3.29Å; L1063-F1237 PolarHBondContact N-O 3.43Å; L1063-F1237 PolarHBondContact O-N 2.73Å; L1066-F1237 HydrophobicContact CD2-CD1 3.8Å; L1066-F1237 HydrophobicContact CD2-CE1 4.17Å; I1234-F1237 HydrophobicContact CG2-CB 3.98Å; I1234-F1237 HydrophobicContact CG2-CD2 4.48Å; I1234-F1237 HydrophobicContact CG2-CG 4.27Å; F1237-D1241 HydrophobicContact CD2-CB 3.59Å; F1237-D1241 HydrophobicContact CE2-CB 3.72Å; F1237-D1241 WeakPolarHBondContact CE2-O 3.17Å; F1237-V1243 HydrophobicContact CD2-CG2 4.1Å; F1237-V1243 HydrophobicContact CE2-CB 4.3Å; F1237-V1243 HydrophobicContact CE2-CG2 3.75Å |
| 1238 | K | 83.8 | Confident | 88.9 | Confident | 112 Ų | 112 | 45.3 Ų | 45.3 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | trans | -80.9 | 164.8 | -175 | -60.7 | 178 | -180 | 176.5 | 0 | 111.5 | N1057 A1062 H1236 G1240 D1241 | N1057-K1238 WeakPolarHBondContact CB-O 3.42Å; N1057-K1238 PolarHBondContact ND2-O 3.4Å; A1062-K1238 HydrophobicContact CB-CG 4.49Å; H1236-K1238 WeakPolarHBondContact NE2-CE 3.45Å; K1238-G1240 PolarHBondContact O-N 3.29Å; K1238-D1241 WeakPolarHBondContact CB-OD2 3.38Å; K1238-D1241 PolarHBondContact N-OD2 2.86Å; K1238-D1241 WeakPolarHBondContact O-CB 3.39Å; K1238-D1241 PolarHBondContact O-N 2.96Å | ||
| 1239 | H | 82 | Confident | 89 | Confident | 88 Ų | 88 | 45.2 Ų | 45.2 | 41% | 0.407 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 127.1 | 169.7 | 176.8 | 60.7 | 0 | 0 | 0 | 110.9 | G1059 W1060 D1241 | G1059-H1239 WeakPolarHBondContact O-CB 3.4Å; G1059-H1239 PolarHBondContact O-ND1 3.46Å; W1060-H1239 AromaticContact CE3-NE2 3.83Å; W1060-H1239 AromaticContact CZ3-NE2 3.84Å; H1239-D1241 VanDerWaalsContact C-N 3.29Å; H1239-D1241 PolarHBondContact O-N 2.72Å |
| 1240 | G | 83.1 | Confident | 89.1 | Confident | 44 Ų | 44 | 41.6 Ų | 41.6 | 45% | 0.454 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -3.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N1057 K1238 T1242 | N1057-G1240 PolarHBondContact O-N 3.06Å; K1238-G1240 PolarHBondContact O-N 3.29Å; G1240-T1242 PolarHBondContact O-N 3.4Å |
| 1241 | D | 84.8 | Confident | 89.1 | Confident | 33 Ų | 33 | 41.5 Ų | 41.5 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | trans | -64.6 | 134.4 | 171.4 | -78.4 | -17.3 | 0 | 0 | 0 | 109.6 | N1057 F1237 K1238 H1239 | N1057-D1241 PolarHBondContact N-O 3.13Å; F1237-D1241 HydrophobicContact CD2-CB 3.59Å; F1237-D1241 HydrophobicContact CE2-CB 3.72Å; F1237-D1241 WeakPolarHBondContact CE2-O 3.17Å; K1238-D1241 WeakPolarHBondContact CB-OD2 3.38Å; K1238-D1241 PolarHBondContact N-OD2 2.86Å; K1238-D1241 WeakPolarHBondContact O-CB 3.39Å; K1238-D1241 PolarHBondContact O-N 2.96Å; H1239-D1241 VanDerWaalsContact C-N 3.29Å; H1239-D1241 PolarHBondContact O-N 2.72Å | ||
| 1242 | T | 88.4 | Confident | 89 | Confident | 64 Ų | 64 | 38 Ų | 38 | 39% | 0.393 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.1 | 174 | 51.7 | 0 | 0 | 0 | 0 | 110.3 | I1055 E1056 G1240 | I1055-T1242 WeakPolarHBondContact O-CA 3.39Å; E1056-T1242 HydrophobicContact CB-CG2 4.08Å; E1056-T1242 HydrophobicContact CG-CG2 3.86Å; G1240-T1242 PolarHBondContact O-N 3.4Å |
| 1243 | V | 91.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.3 | -172.1 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | I1055 I1108 Y1116 F1237 | I1055-V1243 PolarHBondContact N-O 3.44Å; I1055-V1243 PolarHBondContact O-N 2.85Å; I1108-V1243 HydrophobicContact CB-CG1 4.43Å; I1108-V1243 HydrophobicContact CG2-CG1 3.27Å; Y1116-V1243 HydrophobicContact CD1-CG2 3.83Å; Y1116-V1243 HydrophobicContact CD2-CG2 4.42Å; Y1116-V1243 HydrophobicContact CE1-CG2 4.34Å; Y1116-V1243 HydrophobicContact CG-CG2 3.86Å; F1237-V1243 HydrophobicContact CD2-CG2 4.1Å; F1237-V1243 HydrophobicContact CE2-CB 4.3Å; F1237-V1243 HydrophobicContact CE2-CG2 3.75Å |
| 1244 | R | 91.4 | Very high | 88.6 | Confident | 104 Ų | 104 | 36.7 Ų | 36.7 | 39% | 0.392 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120 | 179.4 | -173 | -176.5 | 179.6 | 153.3 | 9.5 | 110.4 | T1052 F1053 L1054 I1108 I1109 | T1052-R1244 HydrophobicContact CG2-CG 3.47Å; T1052-R1244 VanDerWaalsContact CG2-CG 3.47Å; T1052-R1244 PolarHBondContact OG1-NH2 2.8Å; F1053-R1244 WeakPolarHBondContact O-CA 3.49Å; L1054-R1244 HydrophobicContact CD2-CB 4.21Å; L1054-R1244 HydrophobicContact CD2-CG 4.21Å; I1108-R1244 WeakPolarHBondContact CA-O 3.5Å; I1109-R1244 PolarHBondContact N-O 3Å; I1109-R1244 PolarHBondContact O-N 2.94Å |
| 1245 | L | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 111.8 | 166.9 | -170.9 | 160.9 | 0 | 0 | 0 | 108.8 | T1052 F1053 I1055 L1070 T1107 I1108 C1232 L1270 | T1052-L1245 WeakPolarHBondContact CA-O 3.45Å; F1053-L1245 HydrophobicContact CB-CB 4.38Å; F1053-L1245 HydrophobicContact CD2-CD2 4.1Å; F1053-L1245 PolarHBondContact N-O 3.21Å; F1053-L1245 PolarHBondContact O-N 2.91Å; I1055-L1245 HydrophobicContact CD1-CB 4.33Å; I1055-L1245 HydrophobicContact CD1-CD1 4.5Å; L1070-L1245 HydrophobicContact CD2-CD2 4.23Å; T1107-L1245 WeakPolarHBondContact O-CA 3.36Å; I1108-L1245 HydrophobicContact CG1-CD1 4.39Å; I1108-L1245 HydrophobicContact CG1-CG 4.36Å; C1232-L1245 HydrophobicContact CB-CD1 4.25Å; L1245-L1270 HydrophobicContact CD1-CD1 4.13Å; L1245-L1270 HydrophobicContact CD1-CD2 4.38Å |
| 1246 | K | 91.1 | Very high | 88.5 | Confident | 53 Ų | 53 | 30.6 Ų | 30.6 | 23% | 0.23 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.7 | 175.1 | -176.4 | 179.5 | 179.7 | 178.1 | 0 | 110.2 | E1050 P1106 T1107 | E1050-K1246 VanDerWaalsContact CD-NZ 3.29Å; E1050-K1246 IonicContact OE1-NZ 2.66Å; E1050-K1246 PolarHBondContact OE1-NZ 3.19Å; E1050-K1246 WeakPolarHBondContact OE2-CE 3.29Å; E1050-K1246 IonicContact OE2-NZ 3.08Å; E1050-K1246 PolarHBondContact OE2-NZ 2.89Å; P1106-K1246 VanDerWaalsContact CA-O 3.26Å; P1106-K1246 WeakPolarHBondContact CA-O 3.36Å; T1107-K1246 PolarHBondContact N-O 3.43Å; T1107-K1246 VanDerWaalsContact N-O 3.16Å; T1107-K1246 PolarHBondContact O-N 2.91Å; T1107-K1246 VanDerWaalsContact O-N 3.13Å |
| 1247 | W | 91.8 | Very high | 88.5 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 155.9 | 167.2 | 73.9 | -90.3 | 0 | 0 | 0 | 111.3 | I1049 H1051 F1053 L1070 L1072 L1083 L1085 P1106 F1266 | I1049-W1247 HydrophobicContact CB-CH2 4.15Å; I1049-W1247 HydrophobicContact CG2-CH2 3.49Å; I1049-W1247 VanDerWaalsContact CG2-CH2 3.49Å; I1049-W1247 HydrophobicContact CG2-CZ2 3.87Å; I1049-W1247 HydrophobicContact CG2-CZ3 4.21Å; H1051-W1247 HydrophobicContact CB-CZ2 3.96Å; H1051-W1247 AromaticContact CG-CZ2 3.9Å; H1051-W1247 PolarHBondContact N-O 3.42Å; H1051-W1247 AromaticContact ND1-CZ2 3.78Å; H1051-W1247 PolarHBondContact O-N 2.81Å; F1053-W1247 AromaticContact CE2-NE1 3.98Å; L1070-W1247 HydrophobicContact CD2-CB 4.21Å; L1070-W1247 HydrophobicContact CD2-CG 3.87Å; L1072-W1247 HydrophobicContact CD1-CD2 3.95Å; L1072-W1247 HydrophobicContact CD1-CE3 3.87Å; L1072-W1247 HydrophobicContact CD1-CH2 4.22Å; L1072-W1247 HydrophobicContact CD1-CZ2 4.28Å; L1072-W1247 HydrophobicContact CD1-CZ3 4Å; L1072-W1247 HydrophobicContact CD2-CD2 4.21Å; L1072-W1247 HydrophobicContact CD2-CH2 4.06Å; L1072-W1247 HydrophobicContact CD2-CZ2 3.47Å; L1072-W1247 VanDerWaalsContact CD2-CZ2 3.47Å; L1083-W1247 HydrophobicContact CD1-CH2 4.33Å; L1083-W1247 HydrophobicContact CD1-CZ3 4.15Å; L1083-W1247 HydrophobicContact CD2-CH2 4.28Å; L1083-W1247 HydrophobicContact CD2-CZ3 4.01Å; L1085-W1247 HydrophobicContact CD2-CE3 4.46Å; L1085-W1247 HydrophobicContact CD2-CZ3 4.5Å; P1106-W1247 HydrophobicContact CB-CB 4.07Å; P1106-W1247 HydrophobicContact CG-CB 3.9Å; W1247-F1266 AromaticContact CH2-CE1 3.67Å; W1247-F1266 HydrophobicContact CH2-CE1 3.67Å; W1247-F1266 HydrophobicContact CH2-CZ 4.09Å; W1247-F1266 AromaticContact CZ2-CE1 3.81Å; W1247-F1266 HydrophobicContact CZ2-CE1 3.81Å |
| 1248 | T | 90.8 | Very high | 88.3 | Confident | 12 Ų | 12 | 34.4 Ų | 34.4 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 138.7 | -178.1 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | I1049 E1050 T1104 | I1049-T1248 WeakPolarHBondContact O-CA 3.25Å; E1050-T1248 HydrophobicContact CB-CG2 4.39Å; E1050-T1248 HydrophobicContact CG-CG2 3.84Å; E1050-T1248 VanDerWaalsContact OE1-CG2 3.24Å; E1050-T1248 WeakPolarHBondContact OE1-CG2 3.31Å; T1104-T1248 WeakPolarHBondContact CB-OG1 3.39Å; T1104-T1248 PolarHBondContact O-OG1 3.05Å |
| 1249 | G | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 177.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R1048 I1049 Y1084 | R1048-G1249 CarbonylContact C-O 3.49Å; R1048-G1249 WeakPolarHBondContact CA-O 3.34Å; I1049-G1249 PolarHBondContact N-O 2.95Å; I1049-G1249 PolarHBondContact O-N 2.8Å; Y1084-G1249 WeakPolarHBondContact O-CA 3.44Å |
| 1250 | W | 92.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.6 | -179.6 | -66.9 | -103.2 | 0 | 0 | 0 | 110.1 | S1042 I1045 P1047 R1048 L1083 Y1084 T1086 V1089 T1104 | S1042-W1250 PolarHBondContact O-NE1 2.9Å; I1045-W1250 HydrophobicContact CB-CB 4.3Å; I1045-W1250 HydrophobicContact CG2-CB 3.8Å; P1047-W1250 WeakPolarHBondContact O-CA 3.48Å; R1048-W1250 HydrophobicContact CG-CZ2 4.39Å; L1083-W1250 CarbonylContact C-O 3.46Å; Y1084-W1250 PolarHBondContact N-O 3.2Å; Y1084-W1250 PolarHBondContact O-N 3.12Å; T1086-W1250 HydrophobicContact CG2-CH2 4.17Å; T1086-W1250 HydrophobicContact CG2-CZ3 3.72Å; V1089-W1250 HydrophobicContact CG2-CH2 3.8Å; V1089-W1250 HydrophobicContact CG2-CZ2 4.37Å; T1104-W1250 HydrophobicContact CG2-CH2 4.32Å |
| 1251 | L | 91.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 139.6 | 172.9 | -78.7 | 171.2 | 0 | 0 | 0 | 110.2 | G1046 P1047 I1049 L1082 S1253 F1256 F1266 I1323 | G1046-L1251 VanDerWaalsContact CA-O 3.3Å; G1046-L1251 WeakPolarHBondContact CA-O 3.46Å; P1047-L1251 HydrophobicContact CG-CB 4.08Å; P1047-L1251 HydrophobicContact CG-CD1 4.05Å; P1047-L1251 PolarHBondContact O-N 2.78Å; I1049-L1251 HydrophobicContact CD1-CD1 3.87Å; I1049-L1251 HydrophobicContact CD1-CD2 3.92Å; I1049-L1251 HydrophobicContact CD1-CG 3.62Å; I1049-L1251 HydrophobicContact CG1-CD1 4.35Å; I1049-L1251 HydrophobicContact CG1-CG 4.17Å; L1082-L1251 CarbonylContact O-C 3.55Å; L1082-L1251 WeakPolarHBondContact O-CA 3.35Å; L1082-L1251 WeakPolarHBondContact O-CD2 3.39Å; L1251-S1253 PolarHBondContact O-N 2.87Å; L1251-S1253 VanDerWaalsContact O-N 3.08Å; L1251-F1256 HydrophobicContact CB-CE2 4.1Å; L1251-F1256 HydrophobicContact CD2-CE2 3.95Å; L1251-F1256 HydrophobicContact CD2-CZ 4.04Å; L1251-F1256 HydrophobicContact CG-CE2 4.48Å; L1251-F1266 HydrophobicContact CD2-CD2 3.83Å; L1251-F1266 HydrophobicContact CD2-CE2 4.17Å; L1251-I1323 HydrophobicContact CD1-CB 4.05Å; L1251-I1323 HydrophobicContact CD1-CD1 3.87Å; L1251-I1323 HydrophobicContact CD1-CG1 3.68Å; L1251-I1323 HydrophobicContact CD1-CG2 3.93Å |
| 1252 | W | 90.4 | Very high | 87.4 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | trans | -79.6 | 93.3 | 177.8 | -162.1 | -98.1 | 0 | 0 | 0 | 110.5 | I1031 I1045 R1081 L1082 Y1084 L1129 E1254 T1255 F1256 | I1031-W1252 HydrophobicContact CB-CH2 4.06Å; I1031-W1252 HydrophobicContact CB-CZ2 4.09Å; I1031-W1252 HydrophobicContact CD1-CH2 3.59Å; I1031-W1252 HydrophobicContact CD1-CZ2 4.12Å; I1031-W1252 HydrophobicContact CD1-CZ3 4.06Å; I1031-W1252 HydrophobicContact CG1-CH2 4.37Å; I1031-W1252 HydrophobicContact CG2-CH2 4.11Å; I1045-W1252 HydrophobicContact CG2-CE3 3.75Å; I1045-W1252 HydrophobicContact CG2-CZ3 3.99Å; R1081-W1252 HydrophobicContact CB-CB 4.23Å; R1081-W1252 HydrophobicContact CB-CD2 4.4Å; R1081-W1252 HydrophobicContact CB-CG 4.06Å; R1081-W1252 WeakPolarHBondContact O-CB 3.28Å; L1082-W1252 PolarHBondContact O-N 2.89Å; Y1084-W1252 AromaticContact CD2-CE3 3.92Å; Y1084-W1252 HydrophobicContact CD2-CE3 3.92Å; Y1084-W1252 AromaticContact CD2-CZ3 3.48Å; Y1084-W1252 HydrophobicContact CD2-CZ3 3.48Å; Y1084-W1252 VanDerWaalsContact CD2-CZ3 3.48Å; Y1084-W1252 AromaticContact CE2-CZ3 4Å; Y1084-W1252 HydrophobicContact CE2-CZ3 4Å; Y1084-W1252 HydrophobicContact CG-CE3 4.28Å; Y1084-W1252 HydrophobicContact CG-CZ3 4.05Å; L1129-W1252 HydrophobicContact CD1-CH2 3.54Å; L1129-W1252 HydrophobicContact CD1-CZ2 4.32Å; L1129-W1252 HydrophobicContact CD1-CZ3 4.21Å; W1252-E1254 VanDerWaalsContact C-N 3.32Å; W1252-E1254 PolarHBondContact NE1-OE2 3.28Å; W1252-E1254 PolarHBondContact O-N 3.45Å; W1252-T1255 PolarHBondContact O-N 3.29Å; W1252-F1256 VanDerWaalsContact O-CD2 3.26Å; W1252-F1256 WeakPolarHBondContact O-CD2 3.2Å | ||
| 1253 | S | 89.2 | Confident | 87.2 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.2 | -41.8 | -170.2 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | R1025 I1045 L1251 T1255 F1256 F1257 | R1025-S1253 PolarHBondContact NH1-OG 3.02Å; R1025-S1253 VanDerWaalsContact NH1-OG 3.1Å; I1045-S1253 VanDerWaalsContact O-CB 3.3Å; I1045-S1253 WeakPolarHBondContact O-CB 3.07Å; I1045-S1253 PolarHBondContact O-N 3.47Å; I1045-S1253 PolarHBondContact O-OG 3.38Å; L1251-S1253 PolarHBondContact O-N 2.87Å; L1251-S1253 VanDerWaalsContact O-N 3.08Å; S1253-T1255 PolarHBondContact O-N 3.27Å; S1253-T1255 VanDerWaalsContact O-N 3.1Å; S1253-F1256 PolarHBondContact O-N 3.23Å; S1253-F1257 WeakPolarHBondContact O-CD2 3.19Å; S1253-F1257 PolarHBondContact O-N 3.03Å; S1253-F1257 VanDerWaalsContact O-N 3.16Å |
| 1254 | E | 87.5 | Confident | 87 | Confident | 23 Ų | 23 | 31.2 Ų | 31.2 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -48.3 | -41 | 179 | -168 | -171.3 | 166.6 | 0 | 0 | 113.6 | P1028 M1030 W1252 K1258 | P1028-E1254 HydrophobicContact CB-CB 4.09Å; P1028-E1254 HydrophobicContact CB-CG 4.46Å; P1028-E1254 HydrophobicContact CG-CG 4.49Å; M1030-E1254 HydrophobicContact CE-CG 4.21Å; M1030-E1254 WeakPolarHBondContact CE-OE1 3.33Å; M1030-E1254 HydrophobicContact SD-CG 3.96Å; W1252-E1254 VanDerWaalsContact C-N 3.32Å; W1252-E1254 PolarHBondContact NE1-OE2 3.28Å; W1252-E1254 PolarHBondContact O-N 3.45Å; E1254-K1258 VanDerWaalsContact O-CB 3.22Å; E1254-K1258 WeakPolarHBondContact O-CB 3.11Å; E1254-K1258 PolarHBondContact O-N 3.25Å |
| 1255 | T | 87.1 | Confident | 86.8 | Confident | 8 Ų | 8 | 27.6 Ų | 27.6 | 5% | 0.049 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.9 | -41.4 | -179.8 | -70.2 | 0 | 0 | 0 | 0 | 111.6 | H1080 R1081 L1082 W1252 S1253 K1258 L1259 | H1080-T1255 HydrophobicContact CB-CG2 3.73Å; R1081-T1255 WeakPolarHBondContact O-CB 3.45Å; R1081-T1255 PolarHBondContact O-OG1 2.72Å; L1082-T1255 HydrophobicContact CD2-CG2 4Å; W1252-T1255 PolarHBondContact O-N 3.29Å; S1253-T1255 PolarHBondContact O-N 3.27Å; S1253-T1255 VanDerWaalsContact O-N 3.1Å; T1255-K1258 PolarHBondContact O-N 2.95Å; T1255-L1259 HydrophobicContact CG2-CD1 3.76Å; T1255-L1259 HydrophobicContact CG2-CG 4.4Å; T1255-L1259 WeakPolarHBondContact O-CB 3.44Å; T1255-L1259 VanDerWaalsContact O-CG 3.24Å; T1255-L1259 WeakPolarHBondContact O-CG 3.29Å; T1255-L1259 PolarHBondContact O-N 3.24Å |
| 1256 | F | 86.1 | Confident | 86.8 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.009 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -73.4 | -34.9 | -178 | -58.4 | -68.3 | 0 | 0 | 0 | 112.5 | L1082 L1204 L1251 W1252 S1253 K1260 K1261 I1264 F1325 | L1082-F1256 HydrophobicContact CB-CZ 4.47Å; L1082-F1256 HydrophobicContact CD2-CE1 3.89Å; L1082-F1256 HydrophobicContact CD2-CZ 3.73Å; L1204-F1256 HydrophobicContact CD1-CE1 3.89Å; L1204-F1256 HydrophobicContact CD1-CZ 3.8Å; L1251-F1256 HydrophobicContact CB-CE2 4.1Å; L1251-F1256 HydrophobicContact CD2-CE2 3.95Å; L1251-F1256 HydrophobicContact CD2-CZ 4.04Å; L1251-F1256 HydrophobicContact CG-CE2 4.48Å; W1252-F1256 VanDerWaalsContact O-CD2 3.26Å; W1252-F1256 WeakPolarHBondContact O-CD2 3.2Å; S1253-F1256 PolarHBondContact O-N 3.23Å; F1256-K1260 PolarHBondContact O-N 3.46Å; F1256-K1261 PolarHBondContact O-N 3.49Å; F1256-K1261 VanDerWaalsContact O-N 3.12Å; F1256-I1264 HydrophobicContact CB-CD1 4.01Å; F1256-I1264 HydrophobicContact CD1-CD1 3.27Å; F1256-I1264 HydrophobicContact CD1-CG1 4Å; F1256-I1264 HydrophobicContact CD2-CD1 4.13Å; F1256-I1264 HydrophobicContact CE1-CD1 3.71Å; F1256-I1264 HydrophobicContact CE1-CG1 4.21Å; F1256-I1264 HydrophobicContact CE1-CG2 4.5Å; F1256-I1264 HydrophobicContact CE2-CD1 4.49Å; F1256-I1264 HydrophobicContact CG-CD1 3.51Å; F1256-I1264 HydrophobicContact CZ-CD1 4.3Å; F1256-F1325 HydrophobicContact CB-CD2 3.93Å; F1256-F1325 HydrophobicContact CB-CE2 3.72Å; F1256-F1325 HydrophobicContact CB-CZ 4.5Å; F1256-F1325 AromaticContact CD2-CE2 3.61Å; F1256-F1325 HydrophobicContact CD2-CE2 3.61Å; F1256-F1325 AromaticContact CD2-CZ 4Å; F1256-F1325 HydrophobicContact CD2-CZ 4Å; F1256-F1325 HydrophobicContact CE2-CE2 4.47Å; F1256-F1325 HydrophobicContact CG-CD2 4.37Å; F1256-F1325 AromaticContact CG-CE2 3.75Å; F1256-F1325 HydrophobicContact CG-CE2 3.75Å |
| 1257 | F | 85.6 | Confident | 86.8 | Confident | 27 Ų | 27 | 25.4 Ų | 25.4 | 12% | 0.118 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | 170.4 | -81.8 | -99.2 | 0 | 0 | 0 | 111.6 | R1025 L1026 P1028 S1253 L1259 K1260 F1325 V1328 | R1025-F1257 HydrophobicContact CG-CE1 4.48Å; R1025-F1257 HydrophobicContact CG-CE2 3.58Å; R1025-F1257 HydrophobicContact CG-CZ 3.46Å; R1025-F1257 VanDerWaalsContact CG-CZ 3.46Å; R1025-F1257 WeakPolarHBondContact O-CZ 3.48Å; L1026-F1257 WeakPolarHBondContact O-CE1 3.27Å; P1028-F1257 HydrophobicContact CB-CB 4.32Å; P1028-F1257 HydrophobicContact CB-CD2 4.38Å; P1028-F1257 HydrophobicContact CB-CG 4.29Å; P1028-F1257 HydrophobicContact CG-CB 3.87Å; P1028-F1257 HydrophobicContact CG-CG 4.13Å; S1253-F1257 WeakPolarHBondContact O-CD2 3.19Å; S1253-F1257 PolarHBondContact O-N 3.03Å; S1253-F1257 VanDerWaalsContact O-N 3.16Å; F1257-L1259 PolarHBondContact O-N 3.45Å; F1257-K1260 PolarHBondContact O-N 3Å; F1257-K1260 VanDerWaalsContact O-N 3.17Å; F1257-F1325 HydrophobicContact CE2-CB 4.17Å; F1257-F1325 AromaticContact CE2-CD1 3.66Å; F1257-F1325 HydrophobicContact CE2-CD1 3.66Å; F1257-F1325 HydrophobicContact CE2-CE1 4.22Å; F1257-F1325 HydrophobicContact CE2-CG 4.02Å; F1257-F1325 HydrophobicContact CZ-CB 4.38Å; F1257-F1325 HydrophobicContact CZ-CD1 4.36Å; F1257-V1328 HydrophobicContact CD1-CG2 3.78Å; F1257-V1328 HydrophobicContact CD2-CG2 3.89Å; F1257-V1328 HydrophobicContact CE1-CG2 3.61Å; F1257-V1328 HydrophobicContact CE2-CG2 3.74Å; F1257-V1328 HydrophobicContact CG-CG2 3.9Å; F1257-V1328 HydrophobicContact CZ-CG2 3.57Å |
| 1258 | K | 82.7 | Confident | 86.7 | Confident | 139 Ų | 139 | 25.2 Ų | 25.2 | 60% | 0.604 | 12% | 0.119 | S | C | * | . | H | α-helix | trans | -62 | -39.3 | 176.3 | -172.2 | 173.5 | -175.2 | 171.8 | 0 | 112.8 | E1254 T1255 K1260 | E1254-K1258 VanDerWaalsContact O-CB 3.22Å; E1254-K1258 WeakPolarHBondContact O-CB 3.11Å; E1254-K1258 PolarHBondContact O-N 3.25Å; T1255-K1258 PolarHBondContact O-N 2.95Å; K1258-K1260 VanDerWaalsContact C-N 3.31Å |
| 1259 | L | 78.3 | Confident | 86.8 | Confident | 43 Ų | 43 | 25 Ų | 25 | 23% | 0.225 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -78.8 | -10.2 | 177 | -68.2 | 174.2 | 0 | 0 | 0 | 114 | Y1223 T1255 F1257 K1261 | Y1223-L1259 HydrophobicContact CE1-CD1 4.41Å; Y1223-L1259 HydrophobicContact CE1-CD2 4.02Å; T1255-L1259 HydrophobicContact CG2-CD1 3.76Å; T1255-L1259 HydrophobicContact CG2-CG 4.4Å; T1255-L1259 WeakPolarHBondContact O-CB 3.44Å; T1255-L1259 VanDerWaalsContact O-CG 3.24Å; T1255-L1259 WeakPolarHBondContact O-CG 3.29Å; T1255-L1259 PolarHBondContact O-N 3.24Å; F1257-L1259 PolarHBondContact O-N 3.45Å; L1259-K1261 HydrophobicContact CB-CG 4.19Å |
| 1260 | K | 78 | Confident | 86.8 | Confident | 116 Ų | 116 | 25 Ų | 25 | 50% | 0.504 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 49.2 | -175.2 | -56.4 | -162.9 | 176.8 | -151.5 | 0 | 113.9 | F1256 F1257 K1258 V1328 | F1256-K1260 PolarHBondContact O-N 3.46Å; F1257-K1260 PolarHBondContact O-N 3Å; F1257-K1260 VanDerWaalsContact O-N 3.17Å; K1258-K1260 VanDerWaalsContact C-N 3.31Å; K1260-V1328 HydrophobicContact CB-CG1 4.36Å |
| 1261 | K | 76.8 | Confident | 86.7 | Confident | 49 Ų | 49 | 27.2 Ų | 27.2 | 21% | 0.213 | 13% | 0.129 | C | C | . | . | trans | -122.1 | 116 | -177.9 | -67.5 | -74.9 | -171.8 | 169.1 | 0 | 111.1 | I1202 F1256 L1259 | I1202-K1261 HydrophobicContact CD1-CB 3.89Å; I1202-K1261 HydrophobicContact CD1-CD 3.57Å; I1202-K1261 HydrophobicContact CD1-CG 3.42Å; I1202-K1261 VanDerWaalsContact CD1-CG 3.42Å; I1202-K1261 HydrophobicContact CG1-CD 3.93Å; I1202-K1261 HydrophobicContact CG1-CG 4.27Å; F1256-K1261 PolarHBondContact O-N 3.49Å; F1256-K1261 VanDerWaalsContact O-N 3.12Å; L1259-K1261 HydrophobicContact CB-CG 4.19Å | ||
| 1262 | S | 80.5 | Confident | 86.5 | Confident | 22 Ų | 22 | 27.6 Ų | 27.6 | 15% | 0.154 | 13% | 0.131 | C | C | . | . | trans | -93.9 | -33.4 | -173.4 | 60 | 0 | 0 | 0 | 0 | 114.2 | I1324 F1325 | S1262-I1324 CarbonylContact O-C 3.59Å; S1262-I1324 VanDerWaalsContact O-CA 3.28Å; S1262-I1324 WeakPolarHBondContact O-CA 3.21Å; S1262-F1325 PolarHBondContact O-N 2.86Å | ||
| 1263 | D | 84.2 | Confident | 86.3 | Confident | 45 Ų | 45 | 30.9 Ų | 30.9 | 24% | 0.241 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.9 | -178.7 | 176.2 | 17.1 | 0 | 0 | 0 | 110.8 | R1201 I1202 | R1201-D1263 WeakPolarHBondContact CA-O 3.17Å; R1201-D1263 VanDerWaalsContact CB-OD2 3.31Å; R1201-D1263 WeakPolarHBondContact CB-OD2 3.43Å; R1201-D1263 WeakPolarHBondContact CD-OD2 3.24Å; R1201-D1263 VanDerWaalsContact CG-OD2 3.29Å; R1201-D1263 WeakPolarHBondContact CG-OD2 3.25Å; R1201-D1263 IonicContact NE-OD1 3.83Å; R1201-D1263 PolarHBondContact NE-OD1 2.77Å; R1201-D1263 IonicContact NE-OD2 3.68Å; I1202-D1263 PolarHBondContact N-O 2.9Å |
| 1264 | I | 87.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 131.5 | -172.8 | -62.5 | 151.6 | 0 | 0 | 0 | 109 | I1202 L1204 F1256 S1322 I1323 F1325 | I1202-I1264 CarbonylContact O-C 3.55Å; I1202-I1264 WeakPolarHBondContact O-CA 3.35Å; L1204-I1264 HydrophobicContact CD1-CG2 3.57Å; L1204-I1264 HydrophobicContact CG-CG2 3.96Å; F1256-I1264 HydrophobicContact CB-CD1 4.01Å; F1256-I1264 HydrophobicContact CD1-CD1 3.27Å; F1256-I1264 HydrophobicContact CD1-CG1 4Å; F1256-I1264 HydrophobicContact CD2-CD1 4.13Å; F1256-I1264 HydrophobicContact CE1-CD1 3.71Å; F1256-I1264 HydrophobicContact CE1-CG1 4.21Å; F1256-I1264 HydrophobicContact CE1-CG2 4.5Å; F1256-I1264 HydrophobicContact CE2-CD1 4.49Å; F1256-I1264 HydrophobicContact CG-CD1 3.51Å; F1256-I1264 HydrophobicContact CZ-CD1 4.3Å; I1264-S1322 CarbonylContact O-C 3.07Å; I1264-S1322 WeakPolarHBondContact O-CA 3.37Å; I1264-I1323 HydrophobicContact CB-CB 4.49Å; I1264-I1323 PolarHBondContact N-O 2.92Å; I1264-I1323 PolarHBondContact O-N 3.34Å; I1264-F1325 HydrophobicContact CD1-CD2 3.55Å; I1264-F1325 HydrophobicContact CD1-CE2 3.44Å; I1264-F1325 VanDerWaalsContact CD1-CE2 3.44Å |
| 1265 | Q | 88.7 | Confident | 86.1 | Confident | 28 Ų | 28 | 34.8 Ų | 34.8 | 13% | 0.131 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 108.3 | 167.2 | -168.2 | 170.9 | 23.8 | 0 | 0 | 109.1 | R1201 I1202 I1203 L1204 I1267 K1320 Q1321 | R1201-Q1265 HydrophobicContact CG-CB 4.49Å; R1201-Q1265 VanDerWaalsContact CZ-CD 3.48Å; R1201-Q1265 VanDerWaalsContact NH1-OE1 3.15Å; I1202-Q1265 PolarHBondContact O-N 2.98Å; I1203-Q1265 HydrophobicContact CG1-CB 4.39Å; L1204-Q1265 PolarHBondContact N-O 3.48Å; Q1265-I1267 HydrophobicContact CG-CD1 4.46Å; Q1265-I1267 HydrophobicContact CG-CG1 4.17Å; Q1265-K1320 HydrophobicContact CG-CB 4.41Å; Q1265-Q1321 CarbonylContact C-O 3.07Å; Q1265-Q1321 WeakPolarHBondContact CA-O 3.47Å |
| 1266 | F | 91 | Very high | 85.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126 | 173.3 | -167.6 | -87.6 | 0 | 0 | 0 | 109.7 | I1049 H1051 P1073 L1083 L1204 W1247 L1251 K1320 Q1321 I1323 | I1049-F1266 HydrophobicContact CD1-CB 3.93Å; I1049-F1266 HydrophobicContact CD1-CD1 3.73Å; I1049-F1266 HydrophobicContact CD1-CD2 3.85Å; I1049-F1266 HydrophobicContact CD1-CE1 4.19Å; I1049-F1266 HydrophobicContact CD1-CE2 4.28Å; I1049-F1266 HydrophobicContact CD1-CG 3.54Å; I1049-F1266 HydrophobicContact CD1-CZ 4.44Å; H1051-F1266 AromaticContact CE1-CD1 3.93Å; P1073-F1266 HydrophobicContact CB-CE2 3.99Å; P1073-F1266 HydrophobicContact CB-CZ 4.38Å; P1073-F1266 HydrophobicContact CG-CE2 4.14Å; P1073-F1266 HydrophobicContact CG-CZ 4.25Å; L1083-F1266 HydrophobicContact CD1-CE2 4.38Å; L1083-F1266 HydrophobicContact CD1-CZ 4.25Å; L1083-F1266 HydrophobicContact CD2-CZ 4.14Å; L1204-F1266 HydrophobicContact CB-CD2 4.33Å; L1204-F1266 HydrophobicContact CD1-CD2 4.05Å; W1247-F1266 AromaticContact CH2-CE1 3.67Å; W1247-F1266 HydrophobicContact CH2-CE1 3.67Å; W1247-F1266 HydrophobicContact CH2-CZ 4.09Å; W1247-F1266 AromaticContact CZ2-CE1 3.81Å; W1247-F1266 HydrophobicContact CZ2-CE1 3.81Å; L1251-F1266 HydrophobicContact CD2-CD2 3.83Å; L1251-F1266 HydrophobicContact CD2-CE2 4.17Å; F1266-K1320 WeakPolarHBondContact O-CA 3.27Å; F1266-Q1321 PolarHBondContact N-O 3.46Å; F1266-Q1321 PolarHBondContact O-N 2.91Å; F1266-I1323 HydrophobicContact CB-CD1 3.69Å |
| 1267 | I | 91 | Very high | 85.8 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118 | 179.1 | -53.6 | -171 | 0 | 0 | 0 | 109.5 | P1073 I1203 L1204 N1205 Q1265 E1318 L1319 K1320 | P1073-I1267 WeakPolarHBondContact CD-O 3.11Å; I1203-I1267 HydrophobicContact CG2-CD1 3.55Å; I1203-I1267 HydrophobicContact CG2-CG1 4.18Å; L1204-I1267 WeakPolarHBondContact O-CB 3.41Å; L1204-I1267 PolarHBondContact O-N 2.67Å; N1205-I1267 HydrophobicContact CB-CB 4Å; N1205-I1267 HydrophobicContact CB-CD1 4.2Å; N1205-I1267 HydrophobicContact CB-CG1 4.42Å; N1205-I1267 HydrophobicContact CB-CG2 4.46Å; Q1265-I1267 HydrophobicContact CG-CD1 4.46Å; Q1265-I1267 HydrophobicContact CG-CG1 4.17Å; I1267-E1318 HydrophobicContact CG2-CB 3.98Å; I1267-E1318 HydrophobicContact CG2-CG 4.19Å; I1267-L1319 WeakPolarHBondContact CA-O 3.36Å; I1267-K1320 HydrophobicContact CD1-CD 3.84Å; I1267-K1320 HydrophobicContact CD1-CG 3.99Å; I1267-K1320 HydrophobicContact CG1-CB 4.28Å; I1267-K1320 HydrophobicContact CG1-CD 4.37Å; I1267-K1320 HydrophobicContact CG1-CG 3.95Å; I1267-K1320 HydrophobicContact CG2-CG 4.22Å |
| 1268 | S | 91.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 133.6 | 165.9 | 60.9 | 0 | 0 | 0 | 0 | 109.8 | H1051 F1053 L1072 L1319 | H1051-S1268 PolarHBondContact ND1-OG 2.82Å; F1053-S1268 WeakPolarHBondContact CZ-OG 3.02Å; L1072-S1268 VanDerWaalsContact CD2-CB 3.42Å; S1268-L1319 PolarHBondContact N-O 3.03Å; S1268-L1319 PolarHBondContact O-N 3.26Å |
| 1269 | R | 91.4 | Very high | 85.2 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.9 | 176.8 | -171.3 | -176.9 | -60.5 | 128.3 | -1.4 | 110.1 | Q1071 C1206 P1207 H1208 Y1316 F1317 E1318 | Q1071-R1269 HydrophobicContact CB-CB 4.35Å; Q1071-R1269 PolarHBondContact N-O 3Å; Q1071-R1269 PolarHBondContact O-N 3.07Å; Q1071-R1269 VanDerWaalsContact O-N 3.11Å; C1206-R1269 PolarHBondContact O-NH1 2.82Å; C1206-R1269 PolarHBondContact O-NH2 2.9Å; P1207-R1269 PolarHBondContact O-NH1 3.44Å; H1208-R1269 PolarHBondContact CD2-NH2 3.11Å; H1208-R1269 PolarHBondContact NE2-NH2 2.83Å; R1269-Y1316 HydrophobicContact CG-CD2 4.09Å; R1269-F1317 WeakPolarHBondContact CA-O 3.28Å; R1269-E1318 HydrophobicContact CB-CG 4.37Å; R1269-E1318 HydrophobicContact CG-CG 4.11Å; R1269-E1318 IonicContact CZ-OE1 3.65Å; R1269-E1318 IonicContact NE-OE1 2.67Å; R1269-E1318 PolarHBondContact NE-OE1 2.69Å; R1269-E1318 VanDerWaalsContact NE-OE1 3.08Å; R1269-E1318 IonicContact NH2-OE1 2.83Å; R1269-E1318 PolarHBondContact NH2-OE1 3.22Å |
| 1270 | L | 92 | Very high | 84.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.4 | 167.8 | -172.4 | 65.5 | 0 | 0 | 0 | 108.2 | I1012 F1053 I1055 L1068 L1070 L1245 Y1316 F1317 | I1012-L1270 HydrophobicContact CD1-CD2 4.15Å; I1012-L1270 HydrophobicContact CD1-CG 4.24Å; I1012-L1270 HydrophobicContact CG2-CD2 3.99Å; F1053-L1270 HydrophobicContact CB-CD2 3.86Å; F1053-L1270 HydrophobicContact CD1-CB 3.79Å; F1053-L1270 HydrophobicContact CD1-CD2 3.97Å; F1053-L1270 HydrophobicContact CD2-CD2 4.38Å; F1053-L1270 HydrophobicContact CE1-CB 3.59Å; F1053-L1270 HydrophobicContact CE2-CB 4.46Å; F1053-L1270 HydrophobicContact CG-CB 4.29Å; F1053-L1270 HydrophobicContact CG-CD2 3.83Å; F1053-L1270 HydrophobicContact CZ-CB 3.95Å; I1055-L1270 HydrophobicContact CD1-CD2 3.81Å; I1055-L1270 HydrophobicContact CG1-CD2 4.26Å; L1068-L1270 HydrophobicContact CB-CD1 4.16Å; L1070-L1270 HydrophobicContact CB-CD1 3.95Å; L1070-L1270 HydrophobicContact CD1-CD1 4.46Å; L1245-L1270 HydrophobicContact CD1-CD1 4.13Å; L1245-L1270 HydrophobicContact CD1-CD2 4.38Å; L1270-Y1316 CarbonylContact O-C 3.55Å; L1270-Y1316 WeakPolarHBondContact O-CA 3.34Å; L1270-F1317 PolarHBondContact N-O 3.1Å; L1270-F1317 PolarHBondContact O-N 3.16Å |
| 1271 | N | 90 | Very high | 84.4 | Confident | 48 Ų | 48 | 36.5 Ų | 36.5 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.7 | 179.5 | -179.3 | 61.5 | 0 | 0 | 0 | 111 | L1068 I1069 N1315 | L1068-N1271 CarbonylContact C-O 3.5Å; L1068-N1271 WeakPolarHBondContact CA-O 2.99Å; I1069-N1271 PolarHBondContact N-O 3.44Å; I1069-N1271 PolarHBondContact O-N 2.88Å; N1271-N1315 CarbonylContact C-O 3.58Å; N1271-N1315 WeakPolarHBondContact CA-O 3.47Å; N1271-N1315 VanDerWaalsContact OD1-C 3.29Å; N1271-N1315 PolarHBondContact OD1-O 3.05Å |
| 1272 | I | 87.6 | Confident | 84.5 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 122.1 | 167.1 | -55.1 | 171.4 | 0 | 0 | 0 | 108.4 | V1010 I1012 L1066 L1068 W1275 N1315 | V1010-I1272 HydrophobicContact CB-CD1 3.97Å; V1010-I1272 HydrophobicContact CG1-CD1 4.09Å; I1012-I1272 HydrophobicContact CD1-CG1 4.38Å; L1066-I1272 HydrophobicContact CD1-CG2 3.87Å; L1068-I1272 HydrophobicContact CD2-CG1 3.86Å; I1272-W1275 HydrophobicContact CD1-CH2 3.54Å; I1272-W1275 HydrophobicContact CD1-CZ2 3.61Å; I1272-W1275 HydrophobicContact CD1-CZ3 4.12Å; I1272-W1275 HydrophobicContact CG2-CD2 4.14Å; I1272-W1275 HydrophobicContact CG2-CG 4.29Å; I1272-W1275 HydrophobicContact CG2-CZ2 4.37Å; I1272-N1315 HydrophobicContact CB-CB 4.2Å; I1272-N1315 PolarHBondContact N-O 3.19Å |
| 1273 | D | 86.3 | Confident | 84.2 | Confident | 75 Ų | 75 | 38.1 Ų | 38.1 | 40% | 0.401 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -49 | -176.3 | 164.5 | 67.3 | 0 | 0 | 0 | 111.1 | S1067 I1069 | S1067-D1273 WeakPolarHBondContact CB-OD2 3.45Å; S1067-D1273 PolarHBondContact O-N 3.37Å; S1067-D1273 PolarHBondContact OG-OD2 2.72Å; I1069-D1273 HydrophobicContact CB-CB 4.46Å; I1069-D1273 HydrophobicContact CD1-CB 3.69Å; I1069-D1273 VanDerWaalsContact CD1-OD1 3.31Å; I1069-D1273 WeakPolarHBondContact CD1-OD1 2.98Å; I1069-D1273 HydrophobicContact CG1-CB 3.73Å |
| 1274 | N | 86.6 | Confident | 83.4 | Confident | 86 Ų | 86 | 37.4 Ų | 37.4 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 129.2 | 173 | -176.6 | -4.6 | 0 | 0 | 0 | 108.9 | S1067 G1276 | S1067-N1274 PolarHBondContact N-O 2.03Å; S1067-N1274 PolarHBondContact O-N 2.98Å; N1274-G1276 PolarHBondContact O-N 3.26Å; N1274-G1276 VanDerWaalsContact O-N 3.15Å; N1274-G1276 PolarHBondContact OD1-N 3.02Å |
| 1275 | W | 85.5 | Confident | 82.6 | Confident | 21 Ų | 21 | 37.6 Ų | 37.6 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | trans | -65.9 | -11 | 178.9 | -74.9 | 87.6 | 0 | 0 | 0 | 114.1 | P1008 V1010 L1063 I1272 Y1311 P1312 N1315 | P1008-W1275 HydrophobicContact CB-CE3 3.62Å; P1008-W1275 HydrophobicContact CB-CZ3 3.79Å; P1008-W1275 HydrophobicContact CG-CD2 3.92Å; P1008-W1275 HydrophobicContact CG-CE3 3.47Å; P1008-W1275 VanDerWaalsContact CG-CE3 3.47Å; P1008-W1275 HydrophobicContact CG-CG 4.46Å; P1008-W1275 HydrophobicContact CG-CZ3 3.89Å; V1010-W1275 HydrophobicContact CB-CH2 4.21Å; V1010-W1275 HydrophobicContact CB-CZ3 3.96Å; V1010-W1275 HydrophobicContact CG2-CZ3 3.88Å; L1063-W1275 HydrophobicContact CD1-CE3 4.2Å; L1063-W1275 HydrophobicContact CD1-CZ3 4.43Å; I1272-W1275 HydrophobicContact CD1-CH2 3.54Å; I1272-W1275 HydrophobicContact CD1-CZ2 3.61Å; I1272-W1275 HydrophobicContact CD1-CZ3 4.12Å; I1272-W1275 HydrophobicContact CG2-CD2 4.14Å; I1272-W1275 HydrophobicContact CG2-CG 4.29Å; I1272-W1275 HydrophobicContact CG2-CZ2 4.37Å; W1275-Y1311 HydrophobicContact CB-CD1 3.97Å; W1275-Y1311 HydrophobicContact CB-CE1 3.64Å; W1275-Y1311 AromaticContact CD1-CD1 3.32Å; W1275-Y1311 AromaticContact CD1-CE1 3.8Å; W1275-Y1311 AromaticContact CD1-CG 3.82Å; W1275-Y1311 AromaticContact CD2-CD1 3.84Å; W1275-Y1311 HydrophobicContact CD2-CD1 3.84Å; W1275-Y1311 HydrophobicContact CD2-CE1 4.38Å; W1275-Y1311 AromaticContact CG-CD1 3.41Å; W1275-Y1311 HydrophobicContact CG-CD1 3.41Å; W1275-Y1311 VanDerWaalsContact CG-CD1 3.41Å; W1275-Y1311 AromaticContact CG-CE1 3.63Å; W1275-Y1311 HydrophobicContact CG-CE1 3.63Å; W1275-Y1311 HydrophobicContact CG-CG 4.34Å; W1275-Y1311 AromaticContact NE1-CD1 3.7Å; W1275-Y1311 AromaticContact NE1-CG 3.97Å; W1275-P1312 HydrophobicContact CH2-CG 3.78Å; W1275-P1312 HydrophobicContact CZ2-CB 4.28Å; W1275-P1312 VanDerWaalsContact CZ2-CD 3.5Å; W1275-P1312 HydrophobicContact CZ2-CG 3.84Å; W1275-N1315 WeakPolarHBondContact CZ2-OD1 3.5Å | ||
| 1276 | G | 82.7 | Confident | 82 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 13% | 0.134 | 20% | 0.204 | C | C | . | . | trans | 105.3 | -163.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1064 N1065 N1274 | T1064-G1276 CarbonylContact O-C 3.54Å; T1064-G1276 WeakPolarHBondContact O-CA 3.21Å; N1065-G1276 WeakPolarHBondContact O-CA 3.46Å; N1274-G1276 PolarHBondContact O-N 3.26Å; N1274-G1276 VanDerWaalsContact O-N 3.15Å; N1274-G1276 PolarHBondContact OD1-N 3.02Å | ||
| 1277 | E | 83.5 | Confident | 81 | Confident | 118 Ų | 118 | 42.2 Ų | 42.2 | 55% | 0.551 | 22% | 0.219 | S | C | * | . | P | Polyproline II helix | trans | -75 | 131.3 | 177.3 | -72.7 | 170.5 | -147.2 | 0 | 0 | 110.8 | T1064 N1065 | T1064-E1277 PolarHBondContact O-N 3.01Å; N1065-E1277 PolarHBondContact ND2-OE1 3.21Å |
| 1278 | L | 79.3 | Confident | 79.9 | Confident | 38 Ų | 38 | 43.1 Ų | 43.1 | 20% | 0.199 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 138.4 | 169.4 | -72.8 | 171.6 | 0 | 0 | 0 | 109.6 | F1006 L1280 I1282 K1283 I1309 | F1006-L1278 HydrophobicContact CD1-CD2 4.01Å; F1006-L1278 HydrophobicContact CE1-CD2 3.7Å; F1006-L1278 HydrophobicContact CZ-CD2 4.03Å; L1278-L1280 PolarHBondContact O-N 3.29Å; L1278-I1282 HydrophobicContact CD2-CG2 4.14Å; L1278-K1283 HydrophobicContact CB-CB 4.08Å; L1278-I1309 HydrophobicContact CD1-CD1 4.12Å; L1278-I1309 HydrophobicContact CD2-CD1 4.37Å |
| 1279 | P | 77 | Confident | 78.7 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -52.3 | 137.6 | 171.7 | -25.8 | 34.3 | 0 | 0 | 0 | 110.8 | Y831 F1006 I1281 I1282 K1283 | Y831-P1279 HydrophobicContact CE1-CB 4.14Å; Y831-P1279 HydrophobicContact CE1-CG 3.91Å; F1006-P1279 HydrophobicContact CE2-CG 3.79Å; F1006-P1279 HydrophobicContact CZ-CG 4.49Å; P1279-I1281 PolarHBondContact O-N 2.95Å; P1279-I1282 HydrophobicContact CB-CG1 4.5Å; P1279-I1282 PolarHBondContact O-N 2.86Å; P1279-K1283 PolarHBondContact O-N 3.14Å |
| 1280 | L | 70.2 | Confident | 77.7 | Confident | 155 Ų | 155 | 48.5 Ų | 48.5 | 81% | 0.812 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -45.5 | -42 | -172.4 | -69.8 | 169.7 | 0 | 0 | 0 | 113.7 | L1278 K1283 A1284 | L1278-L1280 PolarHBondContact O-N 3.29Å; L1280-K1283 PolarHBondContact O-N 3.45Å; L1280-A1284 WeakPolarHBondContact O-CB 3.25Å; L1280-A1284 PolarHBondContact O-N 3.08Å |
| 1281 | I | 70.3 | Confident | 76.4 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -41.7 | -179.6 | -158.5 | 163.5 | 0 | 0 | 0 | 112.9 | Y831 L867 D877 I879 P1279 Y1285 | Y831-I1281 HydrophobicContact CE2-CG2 3.56Å; Y831-I1281 WeakPolarHBondContact OH-CG2 3.41Å; L867-I1281 HydrophobicContact CD1-CG1 4.3Å; D877-I1281 VanDerWaalsContact O-CD1 3.28Å; D877-I1281 WeakPolarHBondContact O-CD1 3.03Å; I879-I1281 HydrophobicContact CD1-CD1 4.16Å; I879-I1281 HydrophobicContact CD1-CG1 4.26Å; I879-I1281 HydrophobicContact CG1-CD1 3.63Å; I879-I1281 HydrophobicContact CG1-CG1 4.18Å; P1279-I1281 PolarHBondContact O-N 2.95Å; I1281-Y1285 HydrophobicContact CD1-CE2 4.41Å; I1281-Y1285 HydrophobicContact CG1-CD2 4.16Å; I1281-Y1285 HydrophobicContact CG1-CE2 3.6Å; I1281-Y1285 WeakPolarHBondContact O-CD2 3.36Å; I1281-Y1285 PolarHBondContact O-N 3.38Å |
| 1282 | I | 77.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.9 | -39.8 | 175 | -62.2 | -61.1 | 0 | 0 | 0 | 110.2 | Y831 I1004 F1006 L1278 P1279 H1286 | Y831-I1282 HydrophobicContact CD1-CD1 4.45Å; Y831-I1282 HydrophobicContact CD1-CG1 4.18Å; Y831-I1282 HydrophobicContact CD2-CD1 3.69Å; Y831-I1282 HydrophobicContact CD2-CG1 4.08Å; Y831-I1282 HydrophobicContact CE1-CG1 4.26Å; Y831-I1282 HydrophobicContact CE2-CD1 4.15Å; Y831-I1282 HydrophobicContact CE2-CG1 4.16Å; Y831-I1282 HydrophobicContact CG-CD1 3.86Å; Y831-I1282 HydrophobicContact CG-CG1 4.08Å; I1004-I1282 HydrophobicContact CG2-CD1 3.85Å; F1006-I1282 HydrophobicContact CB-CG2 4.39Å; F1006-I1282 HydrophobicContact CD2-CG1 4.11Å; F1006-I1282 HydrophobicContact CD2-CG2 4.45Å; F1006-I1282 HydrophobicContact CG-CG2 4.43Å; L1278-I1282 HydrophobicContact CD2-CG2 4.14Å; P1279-I1282 HydrophobicContact CB-CG1 4.5Å; P1279-I1282 PolarHBondContact O-N 2.86Å; I1282-H1286 WeakPolarHBondContact O-CB 3.4Å; I1282-H1286 PolarHBondContact O-N 2.71Å |
| 1283 | K | 75.2 | Confident | 73.8 | Confident | 106 Ų | 106 | 55.3 Ų | 55.3 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.5 | -53.1 | 176.5 | -174.5 | -176.3 | 174 | -174.3 | 0 | 111.3 | L1278 P1279 L1280 Y1285 H1286 D1287 | L1278-K1283 HydrophobicContact CB-CB 4.08Å; P1279-K1283 PolarHBondContact O-N 3.14Å; L1280-K1283 PolarHBondContact O-N 3.45Å; K1283-Y1285 VanDerWaalsContact C-N 3.32Å; K1283-Y1285 PolarHBondContact O-N 2.77Å; K1283-H1286 PolarHBondContact O-N 2.83Å; K1283-H1286 VanDerWaalsContact O-N 3.14Å; K1283-D1287 WeakPolarHBondContact O-CB 3.43Å; K1283-D1287 VanDerWaalsContact O-CG 3.28Å; K1283-D1287 PolarHBondContact O-N 3.26Å |
| 1284 | A | 67.3 | Low | 72.5 | Confident | 29 Ų | 29 | 57.4 Ų | 57.4 | 24% | 0.24 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L867 L1280 D1287 I1288 | L867-A1284 HydrophobicContact CD2-CB 3.61Å; L1280-A1284 WeakPolarHBondContact O-CB 3.25Å; L1280-A1284 PolarHBondContact O-N 3.08Å; A1284-D1287 PolarHBondContact O-N 3.06Å; A1284-I1288 WeakPolarHBondContact O-CD1 3.49Å; A1284-I1288 VanDerWaalsContact O-CG1 3.28Å; A1284-I1288 WeakPolarHBondContact O-CG1 3.17Å; A1284-I1288 PolarHBondContact O-N 2.88Å |
| 1285 | Y | 70.7 | Confident | 71 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.2 | -34.1 | 175.5 | -68.5 | -39.8 | 0 | 0 | 0 | 113.7 | W865 L867 I879 I1281 K1283 I1288 E1289 I1307 | W865-Y1285 HydrophobicContact CB-CE1 3.79Å; W865-Y1285 HydrophobicContact CB-CE2 4.05Å; W865-Y1285 VanDerWaalsContact CB-CZ 3.45Å; W865-Y1285 VanDerWaalsContact CB-OH 3.25Å; W865-Y1285 WeakPolarHBondContact CB-OH 3.33Å; W865-Y1285 HydrophobicContact CD2-CD1 4.37Å; W865-Y1285 HydrophobicContact CD2-CD2 4.35Å; W865-Y1285 HydrophobicContact CD2-CE1 4.31Å; W865-Y1285 HydrophobicContact CD2-CE2 4.3Å; W865-Y1285 HydrophobicContact CD2-CG 4.41Å; W865-Y1285 AromaticContact CE3-CD1 3.34Å; W865-Y1285 HydrophobicContact CE3-CD1 3.34Å; W865-Y1285 AromaticContact CE3-CD2 3.83Å; W865-Y1285 HydrophobicContact CE3-CD2 3.83Å; W865-Y1285 AromaticContact CE3-CE1 3.63Å; W865-Y1285 HydrophobicContact CE3-CE1 3.63Å; W865-Y1285 HydrophobicContact CE3-CE2 4.09Å; W865-Y1285 AromaticContact CE3-CG 3.47Å; W865-Y1285 HydrophobicContact CE3-CG 3.47Å; W865-Y1285 VanDerWaalsContact CE3-CG 3.47Å; W865-Y1285 HydrophobicContact CG-CE1 4.46Å; W865-Y1285 HydrophobicContact CG-CE2 4.38Å; W865-Y1285 AromaticContact CZ3-CD1 3.75Å; W865-Y1285 HydrophobicContact CZ3-CD1 3.75Å; W865-Y1285 HydrophobicContact CZ3-CD2 4.09Å; W865-Y1285 HydrophobicContact CZ3-CE1 4.47Å; W865-Y1285 AromaticContact CZ3-CG 3.55Å; W865-Y1285 HydrophobicContact CZ3-CG 3.55Å; W865-Y1285 PolarHBondContact O-OH 2.93Å; W865-Y1285 VanDerWaalsContact O-OH 3.07Å; L867-Y1285 HydrophobicContact CD1-CE1 4.2Å; L867-Y1285 HydrophobicContact CD2-CD1 4.4Å; L867-Y1285 HydrophobicContact CD2-CE1 4.07Å; L867-Y1285 HydrophobicContact CG-CD1 4.49Å; L867-Y1285 HydrophobicContact CG-CE1 3.7Å; I879-Y1285 HydrophobicContact CB-CE2 4.34Å; I879-Y1285 HydrophobicContact CD1-CD2 4.4Å; I879-Y1285 HydrophobicContact CD1-CE2 3.95Å; I879-Y1285 HydrophobicContact CG1-CE2 4.09Å; I879-Y1285 PolarHBondContact N-OH 3.3Å; I1281-Y1285 HydrophobicContact CD1-CE2 4.41Å; I1281-Y1285 HydrophobicContact CG1-CD2 4.16Å; I1281-Y1285 HydrophobicContact CG1-CE2 3.6Å; I1281-Y1285 WeakPolarHBondContact O-CD2 3.36Å; I1281-Y1285 PolarHBondContact O-N 3.38Å; K1283-Y1285 VanDerWaalsContact C-N 3.32Å; K1283-Y1285 PolarHBondContact O-N 2.77Å; Y1285-I1288 HydrophobicContact CD1-CD1 4.14Å; Y1285-I1288 PolarHBondContact O-N 3.21Å; Y1285-E1289 WeakPolarHBondContact O-CB 3.3Å; Y1285-E1289 PolarHBondContact O-N 3.1Å; Y1285-I1307 HydrophobicContact CD2-CD1 4.44Å; Y1285-I1307 HydrophobicContact CG-CD1 4.33Å |
| 1286 | H | 75.2 | Confident | 69.4 | Low | 65 Ų | 65 | 67.1 Ų | 67.1 | 30% | 0.301 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 172.2 | -176.9 | 57.9 | 0 | 0 | 0 | 112.1 | I1282 K1283 E1289 K1290 | I1282-H1286 WeakPolarHBondContact O-CB 3.4Å; I1282-H1286 PolarHBondContact O-N 2.71Å; K1283-H1286 PolarHBondContact O-N 2.83Å; K1283-H1286 VanDerWaalsContact O-N 3.14Å; H1286-E1289 IonicContact ND1-OE2 2.7Å; H1286-E1289 PolarHBondContact O-N 3.22Å; H1286-K1290 WeakPolarHBondContact O-CB 3.42Å; H1286-K1290 PolarHBondContact O-N 2.73Å |
| 1287 | D | 70.2 | Confident | 67.9 | Low | 60 Ų | 60 | 71.2 Ų | 71.2 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 174 | -68.6 | -24.9 | 0 | 0 | 0 | 110.5 | K1283 A1284 K1290 N1291 | K1283-D1287 WeakPolarHBondContact O-CB 3.43Å; K1283-D1287 VanDerWaalsContact O-CG 3.28Å; K1283-D1287 PolarHBondContact O-N 3.26Å; A1284-D1287 PolarHBondContact O-N 3.06Å; D1287-K1290 PolarHBondContact O-N 3.19Å; D1287-N1291 WeakPolarHBondContact O-CB 3.34Å; D1287-N1291 PolarHBondContact O-N 3.32Å; D1287-N1291 PolarHBondContact O-ND2 3.04Å |
| 1288 | I | 67.2 | Low | 66.1 | Low | 25 Ų | 25 | 71.5 Ų | 71.5 | 13% | 0.128 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 172.5 | -71.2 | 162.2 | 0 | 0 | 0 | 111.3 | L867 Y974 A1284 Y1285 K1290 N1291 L1292 | L867-I1288 HydrophobicContact CD2-CD1 4.25Å; Y974-I1288 HydrophobicContact CE1-CG2 4.47Å; A1284-I1288 WeakPolarHBondContact O-CD1 3.49Å; A1284-I1288 VanDerWaalsContact O-CG1 3.28Å; A1284-I1288 WeakPolarHBondContact O-CG1 3.17Å; A1284-I1288 PolarHBondContact O-N 2.88Å; Y1285-I1288 HydrophobicContact CD1-CD1 4.14Å; Y1285-I1288 PolarHBondContact O-N 3.21Å; I1288-K1290 VanDerWaalsContact C-N 3.34Å; I1288-K1290 PolarHBondContact O-N 3.23Å; I1288-N1291 PolarHBondContact O-N 2.88Å; I1288-L1292 HydrophobicContact CG2-CD1 3.98Å; I1288-L1292 HydrophobicContact CG2-CG 4.5Å; I1288-L1292 WeakPolarHBondContact O-CG 3Å; I1288-L1292 PolarHBondContact O-N 3.07Å |
| 1289 | E | 68.1 | Low | 64.3 | Low | 16 Ų | 16 | 76.8 Ų | 76.8 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 176.8 | -179.7 | 174.7 | -128 | 0 | 0 | 111.1 | Y1285 H1286 N1291 L1292 F1293 K1305 F1306 I1307 | Y1285-E1289 WeakPolarHBondContact O-CB 3.3Å; Y1285-E1289 PolarHBondContact O-N 3.1Å; H1286-E1289 IonicContact ND1-OE2 2.7Å; H1286-E1289 PolarHBondContact O-N 3.22Å; E1289-N1291 PolarHBondContact O-N 3.45Å; E1289-L1292 WeakPolarHBondContact O-CB 3.4Å; E1289-L1292 PolarHBondContact O-N 2.79Å; E1289-F1293 HydrophobicContact CG-CD2 4.01Å; E1289-F1293 HydrophobicContact CG-CE2 3.7Å; E1289-F1293 WeakPolarHBondContact O-CD2 3.4Å; E1289-F1293 PolarHBondContact O-N 2.95Å; E1289-K1305 VanDerWaalsContact OE1-CA 3.26Å; E1289-K1305 WeakPolarHBondContact OE1-CA 3.33Å; E1289-F1306 PolarHBondContact OE1-N 3.12Å; E1289-I1307 PolarHBondContact OE1-N 2.93Å |
| 1290 | K | 69.1 | Low | 62.7 | Low | 104 Ų | 104 | 78.8 Ų | 78.8 | 45% | 0.452 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 176 | -174.1 | 173 | -179 | -68.2 | 0 | 112.9 | H1286 D1287 I1288 L1292 F1293 E1294 | H1286-K1290 WeakPolarHBondContact O-CB 3.42Å; H1286-K1290 PolarHBondContact O-N 2.73Å; D1287-K1290 PolarHBondContact O-N 3.19Å; I1288-K1290 VanDerWaalsContact C-N 3.34Å; I1288-K1290 PolarHBondContact O-N 3.23Å; K1290-L1292 VanDerWaalsContact C-N 3.35Å; K1290-F1293 PolarHBondContact O-N 2.88Å; K1290-E1294 IonicContact NZ-OE1 3.68Å; K1290-E1294 PolarHBondContact NZ-OE1 2.96Å; K1290-E1294 PolarHBondContact O-N 3.15Å |
| 1291 | N | 65.4 | Low | 61.8 | Low | 39 Ų | 39 | 77 Ų | 77 | 21% | 0.209 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -70 | -31 | 177.8 | -65.2 | -30 | 0 | 0 | 0 | 112.6 | Y969 D1287 I1288 E1289 E1294 N1295 | Y969-N1291 VanDerWaalsContact CE2-ND2 3.34Å; Y969-N1291 WeakPolarHBondContact CE2-ND2 3Å; Y969-N1291 PolarHBondContact OH-ND2 2.94Å; D1287-N1291 WeakPolarHBondContact O-CB 3.34Å; D1287-N1291 PolarHBondContact O-N 3.32Å; D1287-N1291 PolarHBondContact O-ND2 3.04Å; I1288-N1291 PolarHBondContact O-N 2.88Å; E1289-N1291 PolarHBondContact O-N 3.45Å; N1291-E1294 PolarHBondContact O-N 3.2Å; N1291-N1295 PolarHBondContact O-N 2.99Å; N1291-N1295 PolarHBondContact O-ND2 2.84Å |
| 1292 | L | 63.2 | Low | 60.9 | Low | 52 Ų | 52 | 80.9 Ų | 80.9 | 27% | 0.272 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 169.9 | -72.4 | 166.7 | 0 | 0 | 0 | 111.3 | I1288 E1289 K1290 N1295 | I1288-L1292 HydrophobicContact CG2-CD1 3.98Å; I1288-L1292 HydrophobicContact CG2-CG 4.5Å; I1288-L1292 WeakPolarHBondContact O-CG 3Å; I1288-L1292 PolarHBondContact O-N 3.07Å; E1289-L1292 WeakPolarHBondContact O-CB 3.4Å; E1289-L1292 PolarHBondContact O-N 2.79Å; K1290-L1292 VanDerWaalsContact C-N 3.35Å; L1292-N1295 PolarHBondContact O-N 2.78Å |
| 1293 | F | 59.4 | Low | 59.7 | Low | 108 Ų | 108 | 85.5 Ų | 85.5 | 47% | 0.474 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.5 | -31.4 | 173.6 | -81 | -66.5 | 0 | 0 | 0 | 113.9 | E1289 K1290 K1305 | E1289-F1293 HydrophobicContact CG-CD2 4.01Å; E1289-F1293 HydrophobicContact CG-CE2 3.7Å; E1289-F1293 WeakPolarHBondContact O-CD2 3.4Å; E1289-F1293 PolarHBondContact O-N 2.95Å; K1290-F1293 PolarHBondContact O-N 2.88Å; F1293-K1305 HydrophobicContact CZ-CG 4.38Å |
| 1294 | E | 59.9 | Low | 58.8 | Low | 120 Ų | 120 | 83 Ų | 83 | 56% | 0.561 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -75.9 | -25.3 | 177.5 | -73.2 | 178.6 | -159.2 | 0 | 0 | 112.8 | K1290 N1291 K1296 | K1290-E1294 IonicContact NZ-OE1 3.68Å; K1290-E1294 PolarHBondContact NZ-OE1 2.96Å; K1290-E1294 PolarHBondContact O-N 3.15Å; N1291-E1294 PolarHBondContact O-N 3.2Å; E1294-K1296 PolarHBondContact O-N 3.09Å; E1294-K1296 VanDerWaalsContact O-N 3.15Å |
| 1295 | N | 54.5 | Low | 58.7 | Low | 97 Ų | 97 | 86.6 Ų | 86.6 | 52% | 0.519 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -77.1 | 95 | 169.5 | -81.3 | -37.9 | 0 | 0 | 0 | 111 | N1291 L1292 S1297 | N1291-N1295 PolarHBondContact O-N 2.99Å; N1291-N1295 PolarHBondContact O-ND2 2.84Å; L1292-N1295 PolarHBondContact O-N 2.78Å; N1295-S1297 PolarHBondContact O-N 2.83Å |
| 1296 | K | 50.8 | Low | 58.6 | Low | 213 Ų | 213 | 88 Ų | 88 | 93% | 0.926 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 11.3 | -176.3 | -63.4 | -175.4 | 176 | -178 | 0 | 118 | E1294 | E1294-K1296 PolarHBondContact O-N 3.09Å; E1294-K1296 VanDerWaalsContact O-N 3.15Å |
| 1297 | S | 51.2 | Low | 58.7 | Low | 100 Ų | 100 | 85.2 Ų | 85.2 | 70% | 0.699 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -3.4 | 179.5 | 53.3 | 0 | 0 | 0 | 0 | 114.8 | N1295 | N1295-S1297 PolarHBondContact O-N 2.83Š|
| 1298 | Y | 46 | Very low | 59.1 | Low | 124 Ų | 124 | 84.6 Ų | 84.6 | 49% | 0.486 | 43% | 0.429 | S | S | . | . | trans | -117.9 | 107.4 | 174 | -83.7 | -94.2 | 0 | 0 | 0 | 111.8 | M1300 | Y1298-M1300 PolarHBondContact O-N 2.92Š| ||
| 1299 | T | 42.7 | Very low | 59.9 | Low | 148 Ų | 148 | 85.5 Ų | 85.5 | 91% | 0.908 | 43% | 0.433 | S | S | * | . | trans | -84.5 | 84 | 164.5 | 49.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1300 | M | 43.5 | Very low | 60.6 | Low | 68 Ų | 68 | 89.8 Ų | 89.8 | 34% | 0.335 | 45% | 0.452 | S | S | . | . | trans | -91.9 | 134.2 | 174.6 | -96.5 | -175.8 | 148.1 | 0 | 0 | 110.4 | Y1298 D1304 F1306 | Y1298-M1300 PolarHBondContact O-N 2.92Å; M1300-D1304 WeakPolarHBondContact CA-OD2 3.37Å; M1300-D1304 HydrophobicContact CB-CB 3.6Å; M1300-D1304 HydrophobicContact CE-CB 3.8Å; M1300-D1304 HydrophobicContact CG-CB 3.56Å; M1300-D1304 WeakPolarHBondContact CG-OD2 3.29Å; M1300-D1304 HydrophobicContact SD-CB 3.69Å; M1300-F1306 HydrophobicContact CE-CZ 3.93Å; M1300-F1306 HydrophobicContact SD-CZ 4.34Å | ||
| 1301 | N | 51.5 | Low | 61.3 | Low | 116 Ų | 116 | 89.7 Ų | 89.7 | 62% | 0.62 | 45% | 0.449 | S | S | * | . | trans | -70.2 | 170.2 | 179.1 | -83.9 | -19 | 0 | 0 | 0 | 110.4 | D1303 D1304 | N1301-D1303 PolarHBondContact O-N 2.78Å; N1301-D1304 PolarHBondContact N-OD2 3.17Å; N1301-D1304 WeakPolarHBondContact O-CB 3.31Å; N1301-D1304 PolarHBondContact O-N 3.45Å | ||
| 1302 | T | 50 | Low | 61.8 | Low | 104 Ų | 104 | 89.8 Ų | 89.8 | 64% | 0.638 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -57.3 | -18.6 | 169.5 | 43.5 | 0 | 0 | 0 | 0 | 113.1 | D1304 | T1302-D1304 VanDerWaalsContact C-N 3.29Å; T1302-D1304 PolarHBondContact O-N 3.34Å |
| 1303 | D | 53.1 | Low | 61.8 | Low | 98 Ų | 98 | 92.3 Ų | 92.3 | 52% | 0.524 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -84.7 | 6.5 | 177.1 | -61.7 | -51.2 | 0 | 0 | 0 | 115.3 | R1003 N1301 | R1003-D1303 PolarHBondContact NH2-O 3.4Å; R1003-D1303 IonicContact NH2-OD1 3.28Å; N1301-D1303 PolarHBondContact O-N 2.78Å |
| 1304 | D | 56.2 | Low | 62 | Low | 54 Ų | 54 | 93.5 Ų | 93.5 | 29% | 0.289 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -109.6 | -1.3 | 177.7 | -68.6 | -53.1 | 0 | 0 | 0 | 113.7 | M1300 N1301 T1302 F1306 | M1300-D1304 WeakPolarHBondContact CA-OD2 3.37Å; M1300-D1304 HydrophobicContact CB-CB 3.6Å; M1300-D1304 HydrophobicContact CE-CB 3.8Å; M1300-D1304 HydrophobicContact CG-CB 3.56Å; M1300-D1304 WeakPolarHBondContact CG-OD2 3.29Å; M1300-D1304 HydrophobicContact SD-CB 3.69Å; N1301-D1304 PolarHBondContact N-OD2 3.17Å; N1301-D1304 WeakPolarHBondContact O-CB 3.31Å; N1301-D1304 PolarHBondContact O-N 3.45Å; T1302-D1304 VanDerWaalsContact C-N 3.29Å; T1302-D1304 PolarHBondContact O-N 3.34Å; D1304-F1306 WeakPolarHBondContact O-CD1 3.26Å; D1304-F1306 WeakPolarHBondContact O-CE1 3.4Å; D1304-F1306 PolarHBondContact O-N 3.07Å |
| 1305 | K | 65.4 | Low | 62.5 | Low | 103 Ų | 103 | 89.4 Ų | 89.4 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | trans | -60.8 | 124.4 | 174.9 | -73.2 | -168.1 | 175.4 | -172 | 0 | 111.3 | R1003 E1289 F1293 | R1003-K1305 WeakPolarHBondContact CD-O 3.17Å; R1003-K1305 WeakPolarHBondContact CG-O 3.39Å; R1003-K1305 PolarHBondContact NE-O 3.12Å; E1289-K1305 VanDerWaalsContact OE1-CA 3.26Å; E1289-K1305 WeakPolarHBondContact OE1-CA 3.33Å; F1293-K1305 HydrophobicContact CZ-CG 4.38Å | ||
| 1306 | F | 68.3 | Low | 63.8 | Low | 34 Ų | 34 | 90.3 Ų | 90.3 | 15% | 0.149 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -87.3 | -24.4 | -178 | -54.4 | -59.4 | 0 | 0 | 0 | 112.6 | W865 P977 P978 R1003 I1004 E1289 M1300 D1304 | W865-F1306 HydrophobicContact CH2-CB 3.2Å; W865-F1306 HydrophobicContact CH2-CG 4.34Å; W865-F1306 HydrophobicContact CZ2-CB 3.65Å; W865-F1306 WeakPolarHBondContact CZ2-O 3.33Å; W865-F1306 HydrophobicContact CZ3-CB 4Å; P977-F1306 HydrophobicContact CB-CD1 4.31Å; P977-F1306 HydrophobicContact CB-CE1 3.35Å; P977-F1306 HydrophobicContact CB-CZ 3.76Å; P978-F1306 HydrophobicContact CG-CD1 4.18Å; R1003-F1306 WeakPolarHBondContact CA-O 3.35Å; R1003-F1306 WeakPolarHBondContact CB-O 3.5Å; I1004-F1306 PolarHBondContact N-O 2.93Å; E1289-F1306 PolarHBondContact OE1-N 3.12Å; M1300-F1306 HydrophobicContact CE-CZ 3.93Å; M1300-F1306 HydrophobicContact SD-CZ 4.34Å; D1304-F1306 WeakPolarHBondContact O-CD1 3.26Å; D1304-F1306 WeakPolarHBondContact O-CE1 3.4Å; D1304-F1306 PolarHBondContact O-N 3.07Å |
| 1307 | I | 76.3 | Confident | 65.6 | Low | 6 Ų | 6 | 82.8 Ų | 82.8 | 3% | 0.031 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.4 | 174.9 | -85.9 | 164.6 | 0 | 0 | 0 | 111.6 | W865 I1004 Y1285 E1289 I1309 | W865-I1307 HydrophobicContact CH2-CD1 3.97Å; W865-I1307 HydrophobicContact CH2-CG1 3.83Å; W865-I1307 HydrophobicContact CZ2-CG1 4.46Å; W865-I1307 HydrophobicContact CZ3-CD1 4.32Å; I1004-I1307 HydrophobicContact CB-CG1 4.08Å; I1004-I1307 HydrophobicContact CD1-CG1 4.48Å; I1004-I1307 WeakPolarHBondContact O-CA 3.33Å; Y1285-I1307 HydrophobicContact CD2-CD1 4.44Å; Y1285-I1307 HydrophobicContact CG-CD1 4.33Å; E1289-I1307 PolarHBondContact OE1-N 2.93Å; I1307-I1309 HydrophobicContact CG2-CD1 4.09Å; I1307-I1309 HydrophobicContact CG2-CG1 3.68Å |
| 1308 | D | 80.1 | Confident | 67.4 | Low | 48 Ų | 48 | 80.1 Ų | 80.1 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.3 | 173 | -175 | 17.4 | 0 | 0 | 0 | 109.2 | I1004 L1005 F1006 K1310 | I1004-D1308 PolarHBondContact O-N 3.42Å; L1005-D1308 CarbonylContact C-O 3.56Å; L1005-D1308 WeakPolarHBondContact CA-O 3.38Å; L1005-D1308 HydrophobicContact CD1-CB 4.08Å; F1006-D1308 PolarHBondContact N-O 2.77Å; D1308-K1310 WeakPolarHBondContact OD1-CE 3.39Å; D1308-K1310 IonicContact OD1-NZ 3.97Å; D1308-K1310 WeakPolarHBondContact OD2-CD 3.3Å; D1308-K1310 WeakPolarHBondContact OD2-CE 3.5Å; D1308-K1310 IonicContact OD2-NZ 3.28Å; D1308-K1310 PolarHBondContact OD2-NZ 3.41Å |
| 1309 | I | 82.7 | Confident | 69.5 | Low | 44 Ų | 44 | 74.5 Ų | 74.5 | 23% | 0.226 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 109.7 | -177.6 | -62.3 | 178.7 | 0 | 0 | 0 | 107.7 | F1006 L1278 I1307 Y1311 | F1006-I1309 HydrophobicContact CB-CG1 4.46Å; F1006-I1309 HydrophobicContact CD1-CG2 4.19Å; L1278-I1309 HydrophobicContact CD1-CD1 4.12Å; L1278-I1309 HydrophobicContact CD2-CD1 4.37Å; I1307-I1309 HydrophobicContact CG2-CD1 4.09Å; I1307-I1309 HydrophobicContact CG2-CG1 3.68Å; I1309-Y1311 HydrophobicContact CG2-CD2 4.27Å; I1309-Y1311 HydrophobicContact CG2-CE1 4.31Å; I1309-Y1311 HydrophobicContact CG2-CE2 3.5Å; I1309-Y1311 VanDerWaalsContact CG2-CE2 3.5Å; I1309-Y1311 WeakPolarHBondContact CG2-OH 3.5Å |
| 1310 | K | 83.7 | Confident | 71.7 | Confident | 106 Ų | 106 | 72.5 Ų | 72.5 | 46% | 0.461 | 37% | 0.365 | S | S | . | . | trans | -120.6 | 108 | -175.5 | -77.2 | 177.2 | 171.7 | 148.9 | 0 | 111.6 | L1005 F1006 K1007 D1308 | L1005-K1310 HydrophobicContact CD1-CB 4.12Å; L1005-K1310 HydrophobicContact CD1-CD 3.89Å; L1005-K1310 HydrophobicContact CD1-CG 4.13Å; F1006-K1310 PolarHBondContact O-N 3.42Å; K1007-K1310 WeakPolarHBondContact CA-O 3.3Å; K1007-K1310 WeakPolarHBondContact CG-O 3.39Å; D1308-K1310 WeakPolarHBondContact OD1-CE 3.39Å; D1308-K1310 IonicContact OD1-NZ 3.97Å; D1308-K1310 WeakPolarHBondContact OD2-CD 3.3Å; D1308-K1310 WeakPolarHBondContact OD2-CE 3.5Å; D1308-K1310 IonicContact OD2-NZ 3.28Å; D1308-K1310 PolarHBondContact OD2-NZ 3.41Å | ||
| 1311 | Y | 82.8 | Confident | 73.9 | Confident | 102 Ų | 102 | 69.3 Ų | 69.3 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | trans | -88.2 | 145.5 | 170.5 | -57.4 | -68.6 | 0 | 0 | 0 | 111 | F1006 P1008 W1275 I1309 | F1006-Y1311 HydrophobicContact CE1-CE1 4.31Å; P1008-Y1311 HydrophobicContact CG-CD1 3.76Å; P1008-Y1311 HydrophobicContact CG-CE1 4Å; W1275-Y1311 HydrophobicContact CB-CD1 3.97Å; W1275-Y1311 HydrophobicContact CB-CE1 3.64Å; W1275-Y1311 AromaticContact CD1-CD1 3.32Å; W1275-Y1311 AromaticContact CD1-CE1 3.8Å; W1275-Y1311 AromaticContact CD1-CG 3.82Å; W1275-Y1311 AromaticContact CD2-CD1 3.84Å; W1275-Y1311 HydrophobicContact CD2-CD1 3.84Å; W1275-Y1311 HydrophobicContact CD2-CE1 4.38Å; W1275-Y1311 AromaticContact CG-CD1 3.41Å; W1275-Y1311 HydrophobicContact CG-CD1 3.41Å; W1275-Y1311 VanDerWaalsContact CG-CD1 3.41Å; W1275-Y1311 AromaticContact CG-CE1 3.63Å; W1275-Y1311 HydrophobicContact CG-CE1 3.63Å; W1275-Y1311 HydrophobicContact CG-CG 4.34Å; W1275-Y1311 AromaticContact NE1-CD1 3.7Å; W1275-Y1311 AromaticContact NE1-CG 3.97Å; I1309-Y1311 HydrophobicContact CG2-CD2 4.27Å; I1309-Y1311 HydrophobicContact CG2-CE1 4.31Å; I1309-Y1311 HydrophobicContact CG2-CE2 3.5Å; I1309-Y1311 VanDerWaalsContact CG2-CE2 3.5Å; I1309-Y1311 WeakPolarHBondContact CG2-OH 3.5Å | ||
| 1312 | P | 77.2 | Confident | 75.7 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 26% | 0.26 | 33% | 0.327 | S | S | . | . | trans | -54.7 | 150.9 | 167.1 | -25.6 | 34.1 | 0 | 0 | 0 | 113.3 | P1008 W1275 N1315 | P1008-P1312 WeakPolarHBondContact O-CD 3.14Å; W1275-P1312 HydrophobicContact CH2-CG 3.78Å; W1275-P1312 HydrophobicContact CZ2-CB 4.28Å; W1275-P1312 VanDerWaalsContact CZ2-CD 3.5Å; W1275-P1312 HydrophobicContact CZ2-CG 3.84Å; P1312-N1315 PolarHBondContact O-ND2 2.99Å; P1312-N1315 PolarHBondContact O-OD1 2.92Å; P1312-N1315 VanDerWaalsContact O-OD1 3.06Å | ||
| 1313 | S | 62 | Low | 77.5 | Confident | 105 Ų | 105 | 59.9 Ų | 59.9 | 73% | 0.734 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -81.7 | -36.4 | 176 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | N1315 | S1313-N1315 PolarHBondContact O-N 3.19Š|
| 1314 | D | 64.2 | Low | 79.1 | Confident | 134 Ų | 134 | 58.1 Ų | 58.1 | 72% | 0.717 | 29% | 0.286 | S | S | * | . | trans | -98.5 | 74.9 | -166.4 | -65 | 8.3 | 0 | 0 | 0 | 109.7 | Y1316 | D1314-Y1316 PolarHBondContact O-N 2.82Š| ||
| 1315 | N | 70.7 | Confident | 80.4 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 18% | 0.176 | 27% | 0.273 | C | S | . | . | trans | -91.4 | 8.1 | -167.6 | -66.4 | -22.3 | 0 | 0 | 0 | 114.7 | N1271 I1272 W1275 P1312 S1313 | N1271-N1315 CarbonylContact C-O 3.58Å; N1271-N1315 WeakPolarHBondContact CA-O 3.47Å; N1271-N1315 VanDerWaalsContact OD1-C 3.29Å; N1271-N1315 PolarHBondContact OD1-O 3.05Å; I1272-N1315 HydrophobicContact CB-CB 4.2Å; I1272-N1315 PolarHBondContact N-O 3.19Å; W1275-N1315 WeakPolarHBondContact CZ2-OD1 3.5Å; P1312-N1315 PolarHBondContact O-ND2 2.99Å; P1312-N1315 PolarHBondContact O-OD1 2.92Å; P1312-N1315 VanDerWaalsContact O-OD1 3.06Å; S1313-N1315 PolarHBondContact O-N 3.19Å | ||
| 1316 | Y | 82 | Confident | 81 | Confident | 116 Ų | 116 | 56.2 Ų | 56.2 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.9 | -173.4 | 77.8 | -84 | 0 | 0 | 0 | 114.4 | H1208 R1269 L1270 D1314 E1318 | H1208-Y1316 AromaticContact CE1-CD2 3.98Å; H1208-Y1316 AromaticContact CE1-CE1 3.95Å; H1208-Y1316 AromaticContact CE1-CE2 3.58Å; H1208-Y1316 AromaticContact CE1-CZ 3.58Å; R1269-Y1316 HydrophobicContact CG-CD2 4.09Å; L1270-Y1316 CarbonylContact O-C 3.55Å; L1270-Y1316 WeakPolarHBondContact O-CA 3.34Å; D1314-Y1316 PolarHBondContact O-N 2.82Å; Y1316-E1318 HydrophobicContact CD2-CG 4.15Å; Y1316-E1318 HydrophobicContact CE2-CG 4.16Å |
| 1317 | F | 88.5 | Confident | 81 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.2 | 173.7 | -174 | -91.5 | 0 | 0 | 0 | 110.7 | I1012 A1014 F1053 R1269 L1270 L1319 | I1012-F1317 HydrophobicContact CB-CB 3.79Å; I1012-F1317 HydrophobicContact CB-CG 4.28Å; I1012-F1317 HydrophobicContact CG2-CB 3.53Å; I1012-F1317 HydrophobicContact CG2-CD1 4.12Å; I1012-F1317 HydrophobicContact CG2-CG 3.85Å; I1012-F1317 WeakPolarHBondContact O-CD2 3.25Å; A1014-F1317 HydrophobicContact CB-CE1 3.86Å; A1014-F1317 HydrophobicContact CB-CZ 3.83Å; A1014-F1317 VanDerWaalsContact N-CZ 3.28Å; F1053-F1317 AromaticContact CD1-CD1 3.87Å; F1053-F1317 HydrophobicContact CD1-CD1 3.87Å; F1053-F1317 HydrophobicContact CD1-CE1 4.5Å; F1053-F1317 AromaticContact CE1-CD1 3.93Å; F1053-F1317 HydrophobicContact CE1-CD1 3.93Å; R1269-F1317 WeakPolarHBondContact CA-O 3.28Å; L1270-F1317 PolarHBondContact N-O 3.1Å; L1270-F1317 PolarHBondContact O-N 3.16Å; F1317-L1319 HydrophobicContact CE1-CB 4.42Å |
| 1318 | E | 89.5 | Confident | 80.7 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.1 | 179.8 | -67.9 | -164.6 | 154.1 | 0 | 0 | 112 | H1208 I1267 R1269 Y1316 K1320 | H1208-E1318 IonicContact NE2-OE1 3.66Å; I1267-E1318 HydrophobicContact CG2-CB 3.98Å; I1267-E1318 HydrophobicContact CG2-CG 4.19Å; R1269-E1318 HydrophobicContact CB-CG 4.37Å; R1269-E1318 HydrophobicContact CG-CG 4.11Å; R1269-E1318 IonicContact CZ-OE1 3.65Å; R1269-E1318 IonicContact NE-OE1 2.67Å; R1269-E1318 PolarHBondContact NE-OE1 2.69Å; R1269-E1318 VanDerWaalsContact NE-OE1 3.08Å; R1269-E1318 IonicContact NH2-OE1 2.83Å; R1269-E1318 PolarHBondContact NH2-OE1 3.22Å; Y1316-E1318 HydrophobicContact CD2-CG 4.15Å; Y1316-E1318 HydrophobicContact CE2-CG 4.16Å; E1318-K1320 WeakPolarHBondContact OE2-CE 3.37Å; E1318-K1320 IonicContact OE2-NZ 2.86Å; E1318-K1320 PolarHBondContact OE2-NZ 2.97Å |
| 1319 | L | 89.6 | Confident | 79.7 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 121.4 | 174.6 | -154.9 | 168.4 | 0 | 0 | 0 | 109.5 | A1014 Q1017 H1051 T1052 F1053 I1267 S1268 F1317 | A1014-L1319 HydrophobicContact CB-CD1 4.25Å; A1014-L1319 HydrophobicContact CB-CG 4.3Å; Q1017-L1319 HydrophobicContact CG-CD2 3.96Å; H1051-L1319 HydrophobicContact CB-CD1 4.16Å; T1052-L1319 WeakPolarHBondContact O-CD1 3.47Å; F1053-L1319 HydrophobicContact CE1-CB 3.96Å; F1053-L1319 HydrophobicContact CE1-CD1 4.48Å; F1053-L1319 HydrophobicContact CZ-CB 4.09Å; I1267-L1319 WeakPolarHBondContact CA-O 3.36Å; S1268-L1319 PolarHBondContact N-O 3.03Å; S1268-L1319 PolarHBondContact O-N 3.26Å; F1317-L1319 HydrophobicContact CE1-CB 4.42Å |
| 1320 | K | 89.5 | Confident | 78.4 | Confident | 105 Ų | 105 | 62.8 Ų | 62.8 | 46% | 0.457 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.1 | -170.6 | -46.1 | -174 | -178.2 | -170.7 | 0 | 110.2 | Q1265 F1266 I1267 E1318 | Q1265-K1320 HydrophobicContact CG-CB 4.41Å; F1266-K1320 WeakPolarHBondContact O-CA 3.27Å; I1267-K1320 HydrophobicContact CD1-CD 3.84Å; I1267-K1320 HydrophobicContact CD1-CG 3.99Å; I1267-K1320 HydrophobicContact CG1-CB 4.28Å; I1267-K1320 HydrophobicContact CG1-CD 4.37Å; I1267-K1320 HydrophobicContact CG1-CG 3.95Å; I1267-K1320 HydrophobicContact CG2-CG 4.22Å; E1318-K1320 WeakPolarHBondContact OE2-CE 3.37Å; E1318-K1320 IonicContact OE2-NZ 2.86Å; E1318-K1320 PolarHBondContact OE2-NZ 2.97Å |
| 1321 | Q | 89.1 | Confident | 76.9 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.7 | 175.8 | -178 | 170.9 | 69.5 | 0 | 0 | 109.7 | P1018 I1021 H1051 Q1265 F1266 I1323 | P1018-Q1321 PolarHBondContact O-NE2 3.43Å; I1021-Q1321 HydrophobicContact CD1-CG 4.45Å; I1021-Q1321 HydrophobicContact CG1-CG 4.42Å; H1051-Q1321 VanDerWaalsContact NE2-CB 3.28Å; H1051-Q1321 WeakPolarHBondContact NE2-CB 3.24Å; H1051-Q1321 PolarHBondContact NE2-OE1 3.2Å; Q1265-Q1321 CarbonylContact C-O 3.07Å; Q1265-Q1321 WeakPolarHBondContact CA-O 3.47Å; F1266-Q1321 PolarHBondContact N-O 3.46Å; F1266-Q1321 PolarHBondContact O-N 2.91Å; Q1321-I1323 HydrophobicContact CG-CD1 4.37Å |
| 1322 | S | 88.5 | Confident | 75.2 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 16% | 0.161 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138.4 | 176.6 | -38 | 0 | 0 | 0 | 0 | 110 | S1019 T1020 I1021 R1201 I1264 | S1019-S1322 PolarHBondContact O-N 2.99Å; T1020-S1322 CarbonylContact C-O 3.57Å; T1020-S1322 VanDerWaalsContact CA-O 3.3Å; T1020-S1322 WeakPolarHBondContact CA-O 3.22Å; I1021-S1322 PolarHBondContact N-O 3.03Å; R1201-S1322 PolarHBondContact NH2-OG 2.76Å; I1264-S1322 CarbonylContact O-C 3.07Å; I1264-S1322 WeakPolarHBondContact O-CA 3.37Å |
| 1323 | I | 88.2 | Confident | 73.8 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 126.9 | 178.1 | -55.5 | 91.2 | 0 | 0 | 0 | 108.4 | I1021 P1047 I1049 L1251 I1264 F1266 Q1321 F1325 | I1021-I1323 HydrophobicContact CB-CG1 4.28Å; I1021-I1323 CarbonylContact O-C 3.52Å; I1021-I1323 VanDerWaalsContact O-CA 3.29Å; I1021-I1323 WeakPolarHBondContact O-CA 3.18Å; P1047-I1323 HydrophobicContact CG-CG2 3.93Å; I1049-I1323 HydrophobicContact CD1-CD1 4.38Å; L1251-I1323 HydrophobicContact CD1-CB 4.05Å; L1251-I1323 HydrophobicContact CD1-CD1 3.87Å; L1251-I1323 HydrophobicContact CD1-CG1 3.68Å; L1251-I1323 HydrophobicContact CD1-CG2 3.93Å; I1264-I1323 HydrophobicContact CB-CB 4.49Å; I1264-I1323 PolarHBondContact N-O 2.92Å; I1264-I1323 PolarHBondContact O-N 3.34Å; F1266-I1323 HydrophobicContact CB-CD1 3.69Å; Q1321-I1323 HydrophobicContact CG-CD1 4.37Å; I1323-F1325 HydrophobicContact CG2-CE2 4.3Å |
| 1324 | I | 86 | Confident | 73.2 | Confident | 60 Ų | 60 | 74.7 Ų | 74.7 | 31% | 0.308 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.2 | -180 | -57.8 | 175.9 | 0 | 0 | 0 | 109.1 | I1021 D1023 S1262 | I1021-I1324 PolarHBondContact O-N 2.92Å; D1023-I1324 PolarHBondContact N-O 3.18Å; S1262-I1324 CarbonylContact O-C 3.59Å; S1262-I1324 VanDerWaalsContact O-CA 3.28Å; S1262-I1324 WeakPolarHBondContact O-CA 3.21Å |
| 1325 | F | 83.7 | Confident | 72.6 | Confident | 1 Ų | 1 | 77.7 Ų | 77.7 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 108.4 | 171.1 | -72.2 | -74 | 0 | 0 | 0 | 110.3 | D1023 R1025 P1047 F1256 F1257 S1262 I1264 I1323 V1328 | D1023-F1325 HydrophobicContact CB-CD1 3.68Å; D1023-F1325 HydrophobicContact CB-CE1 3.85Å; R1025-F1325 HydrophobicContact CG-CD1 4.47Å; P1047-F1325 HydrophobicContact CG-CE1 3.97Å; P1047-F1325 HydrophobicContact CG-CZ 3.84Å; F1256-F1325 HydrophobicContact CB-CD2 3.93Å; F1256-F1325 HydrophobicContact CB-CE2 3.72Å; F1256-F1325 HydrophobicContact CB-CZ 4.5Å; F1256-F1325 AromaticContact CD2-CE2 3.61Å; F1256-F1325 HydrophobicContact CD2-CE2 3.61Å; F1256-F1325 AromaticContact CD2-CZ 4Å; F1256-F1325 HydrophobicContact CD2-CZ 4Å; F1256-F1325 HydrophobicContact CE2-CE2 4.47Å; F1256-F1325 HydrophobicContact CG-CD2 4.37Å; F1256-F1325 AromaticContact CG-CE2 3.75Å; F1256-F1325 HydrophobicContact CG-CE2 3.75Å; F1257-F1325 HydrophobicContact CE2-CB 4.17Å; F1257-F1325 AromaticContact CE2-CD1 3.66Å; F1257-F1325 HydrophobicContact CE2-CD1 3.66Å; F1257-F1325 HydrophobicContact CE2-CE1 4.22Å; F1257-F1325 HydrophobicContact CE2-CG 4.02Å; F1257-F1325 HydrophobicContact CZ-CB 4.38Å; F1257-F1325 HydrophobicContact CZ-CD1 4.36Å; S1262-F1325 PolarHBondContact O-N 2.86Å; I1264-F1325 HydrophobicContact CD1-CD2 3.55Å; I1264-F1325 HydrophobicContact CD1-CE2 3.44Å; I1264-F1325 VanDerWaalsContact CD1-CE2 3.44Å; I1323-F1325 HydrophobicContact CG2-CE2 4.3Å; F1325-V1328 HydrophobicContact CB-CG2 3.67Å |
| 1326 | H | 78.7 | Confident | 72.1 | Confident | 117 Ų | 117 | 80.2 Ų | 80.2 | 54% | 0.542 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -34.6 | -176.6 | -85 | 130.3 | 0 | 0 | 0 | 114 | I1022 D1023 D1024 V1328 | I1022-H1326 WeakPolarHBondContact CG2-CE1 3.38Å; I1022-H1326 VanDerWaalsContact CG2-ND1 3.29Å; I1022-H1326 WeakPolarHBondContact CG2-ND1 3.46Å; D1023-H1326 PolarHBondContact O-N 3Å; D1024-H1326 IonicContact OD1-CE1 3.2Å; D1024-H1326 IonicContact OD1-CG 3.01Å; D1024-H1326 IonicContact OD1-ND1 3.63Å; D1024-H1326 PolarHBondContact OD1-ND1 2.67Å; H1326-V1328 PolarHBondContact O-N 2.96Å |
| 1327 | G | 68.6 | Low | 71.4 | Confident | 17 Ų | 17 | 78.1 Ų | 78.1 | 18% | 0.175 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -10.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1025 Q1329 | R1025-G1327 VanDerWaalsContact O-CA 3.29Å; R1025-G1327 WeakPolarHBondContact O-CA 3.42Å; R1025-G1327 PolarHBondContact O-N 3.35Å; G1327-Q1329 PolarHBondContact O-N 3.22Å; G1327-Q1329 VanDerWaalsContact O-N 3.14Å |
| 1328 | V | 69.2 | Low | 70.8 | Confident | 10 Ų | 10 | 81.4 Ų | 81.4 | 6% | 0.061 | 41% | 0.409 | C | S | . | . | trans | -84.4 | 96.5 | -170.2 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | F1257 K1260 F1325 H1326 L1330 | F1257-V1328 HydrophobicContact CD1-CG2 3.78Å; F1257-V1328 HydrophobicContact CD2-CG2 3.89Å; F1257-V1328 HydrophobicContact CE1-CG2 3.61Å; F1257-V1328 HydrophobicContact CE2-CG2 3.74Å; F1257-V1328 HydrophobicContact CG-CG2 3.9Å; F1257-V1328 HydrophobicContact CZ-CG2 3.57Å; K1260-V1328 HydrophobicContact CB-CG1 4.36Å; F1325-V1328 HydrophobicContact CB-CG2 3.67Å; H1326-V1328 PolarHBondContact O-N 2.96Å; V1328-L1330 PolarHBondContact O-N 3.36Å | ||
| 1329 | Q | 60.4 | Low | 70.5 | Confident | 169 Ų | 169 | 88.1 Ų | 88.1 | 79% | 0.79 | 43% | 0.433 | S | S | * | . | trans | -61.6 | 107.7 | 177.1 | -68.2 | -168.7 | 0.1 | 0 | 0 | 112.3 | G1327 K1331 | G1327-Q1329 PolarHBondContact O-N 3.22Å; G1327-Q1329 VanDerWaalsContact O-N 3.14Å; Q1329-K1331 PolarHBondContact O-N 3Å | ||
| 1330 | L | 55.3 | Low | 70.3 | Confident | 74 Ų | 74 | 90.6 Ų | 90.6 | 39% | 0.387 | 45% | 0.449 | S | S | . | . | trans | -63.2 | 121.3 | 175.2 | -72.9 | 169.8 | 0 | 0 | 0 | 111 | V1328 M1332 | V1328-L1330 PolarHBondContact O-N 3.36Å; L1330-M1332 VanDerWaalsContact C-N 3.28Å; L1330-M1332 PolarHBondContact O-N 3.26Å | ||
| 1331 | K | 50.4 | Low | 69.9 | Low | 169 Ų | 169 | 89.1 Ų | 89.1 | 74% | 0.735 | 45% | 0.449 | S | S | * | . | trans | -77.8 | 78.3 | 172.7 | -152 | -179.7 | -170.6 | -174.9 | 0 | 109.4 | Q1329 T1333 | Q1329-K1331 PolarHBondContact O-N 3Å; K1331-T1333 VanDerWaalsContact C-N 3.3Å; K1331-T1333 PolarHBondContact O-N 3.25Å | ||
| 1332 | M | 47.9 | Very low | 69.8 | Low | 160 Ų | 160 | 93.6 Ų | 93.6 | 79% | 0.788 | 47% | 0.472 | S | S | * | . | trans | -64.7 | 86.7 | 173.5 | -82.9 | -156.7 | -178.3 | 0 | 0 | 110.9 | L1330 H1334 | L1330-M1332 VanDerWaalsContact C-N 3.28Å; L1330-M1332 PolarHBondContact O-N 3.26Å; M1332-H1334 PolarHBondContact O-N 2.83Å | ||
| 1333 | T | 47.2 | Very low | 69.8 | Low | 118 Ų | 118 | 94.2 Ų | 94.2 | 72% | 0.724 | 48% | 0.478 | S | S | * | . | trans | -79.6 | 66.7 | 165 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | K1331 K1335 | K1331-T1333 VanDerWaalsContact C-N 3.3Å; K1331-T1333 PolarHBondContact O-N 3.25Å; T1333-K1335 VanDerWaalsContact C-N 3.28Å; T1333-K1335 PolarHBondContact O-N 3.42Å | ||
| 1334 | H | 49.5 | Very low | 69.9 | Low | 156 Ų | 156 | 96.4 Ų | 96.4 | 72% | 0.722 | 50% | 0.501 | S | S | * | . | trans | -70.1 | 94.8 | 164.5 | -150.5 | -76.5 | 0 | 0 | 0 | 106.7 | M1332 V1336 | M1332-H1334 PolarHBondContact O-N 2.83Å; H1334-V1336 PolarHBondContact O-N 3.32Å | ||
| 1335 | K | 52.2 | Low | 70.1 | Confident | 197 Ų | 197 | 98.2 Ų | 98.2 | 86% | 0.857 | 51% | 0.51 | S | S | * | . | trans | -72.6 | 77 | 175 | -162.4 | 177.7 | -172.6 | -178.4 | 0 | 107.4 | T1333 P1337 | T1333-K1335 VanDerWaalsContact C-N 3.28Å; T1333-K1335 PolarHBondContact O-N 3.42Å; K1335-P1337 VanDerWaalsContact O-N 3.15Å | ||
| 1336 | V | 60.2 | Low | 70.5 | Confident | 85 Ų | 85 | 101.9 Ų | 101.9 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | trans | -50 | 121.7 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 105.9 | H1334 L1338 | H1334-V1336 PolarHBondContact O-N 3.32Å; V1336-L1338 PolarHBondContact O-N 2.85Å | ||
| 1337 | P | 67.7 | Low | 71.2 | Confident | 72 Ų | 72 | 100.4 Ų | 100.4 | 47% | 0.468 | 53% | 0.532 | S | S | . | . | trans | -57.4 | 121.8 | 173.5 | 24 | -31.7 | 0 | 0 | 0 | 106.3 | K1335 W1339 P1340 | K1335-P1337 VanDerWaalsContact O-N 3.15Å; P1337-W1339 PolarHBondContact O-N 3.02Å; P1337-P1340 HydrophobicContact CG-CG 4.25Å; P1337-P1340 WeakPolarHBondContact O-CD 3.4Å | ||
| 1338 | L | 76 | Confident | 72.3 | Confident | 125 Ų | 125 | 101.4 Ų | 101.4 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.5 | -19.5 | -178.8 | -91.3 | 159 | 0 | 0 | 0 | 111.7 | V1336 V1341 I1342 | V1336-L1338 PolarHBondContact O-N 2.85Å; L1338-V1341 PolarHBondContact O-N 3.32Å; L1338-I1342 HydrophobicContact CB-CD1 3.97Å; L1338-I1342 VanDerWaalsContact O-CG1 3.3Å; L1338-I1342 WeakPolarHBondContact O-CG1 3.28Å; L1338-I1342 PolarHBondContact O-N 2.82Å |
| 1339 | W | 83.8 | Confident | 73.5 | Confident | 184 Ų | 184 | 105.6 Ų | 105.6 | 70% | 0.697 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.4 | -37.6 | -172.4 | 87.7 | -102.9 | 0 | 0 | 0 | 115.4 | P1337 V1341 I1342 A1343 | P1337-W1339 PolarHBondContact O-N 3.02Å; W1339-V1341 VanDerWaalsContact C-N 3.34Å; W1339-I1342 PolarHBondContact O-N 3.39Å; W1339-A1343 HydrophobicContact CE3-CB 4.2Å; W1339-A1343 HydrophobicContact CZ3-CB 4.34Å; W1339-A1343 WeakPolarHBondContact O-CB 3.4Å; W1339-A1343 PolarHBondContact O-N 3.4Å |
| 1340 | P | 83.5 | Confident | 75.1 | Confident | 60 Ų | 60 | 106.2 Ų | 106.2 | 39% | 0.39 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.3 | -29.4 | 175.7 | -15.3 | 32.8 | 0 | 0 | 0 | 112 | P1337 G1344 | P1337-P1340 HydrophobicContact CG-CG 4.25Å; P1337-P1340 WeakPolarHBondContact O-CD 3.4Å; P1340-G1344 PolarHBondContact O-N 3.49Å |
| 1341 | V | 81.5 | Confident | 76.8 | Confident | 74 Ų | 74 | 107.6 Ų | 107.6 | 45% | 0.448 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70 | -45.7 | 173 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | L1338 W1339 G1344 I1345 | L1338-V1341 PolarHBondContact O-N 3.32Å; W1339-V1341 VanDerWaalsContact C-N 3.34Å; V1341-G1344 PolarHBondContact O-N 2.84Å; V1341-I1345 HydrophobicContact CG1-CD1 4.01Å; V1341-I1345 WeakPolarHBondContact O-CB 3.37Å; V1341-I1345 VanDerWaalsContact O-CG1 3.26Å; V1341-I1345 WeakPolarHBondContact O-CG1 3.47Å; V1341-I1345 PolarHBondContact O-N 3.37Å |
| 1342 | I | 87.5 | Confident | 78.7 | Confident | 94 Ų | 94 | 105 Ų | 105 | 48% | 0.482 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.7 | -44.9 | 174.8 | -66.9 | 165.3 | 0 | 0 | 0 | 110.6 | L1338 W1339 I1345 V1346 | L1338-I1342 HydrophobicContact CB-CD1 3.97Å; L1338-I1342 VanDerWaalsContact O-CG1 3.3Å; L1338-I1342 WeakPolarHBondContact O-CG1 3.28Å; L1338-I1342 PolarHBondContact O-N 2.82Å; W1339-I1342 PolarHBondContact O-N 3.39Å; I1342-I1345 PolarHBondContact O-N 2.89Å; I1342-V1346 HydrophobicContact CG2-CG2 4.39Å; I1342-V1346 WeakPolarHBondContact O-CB 3.2Å; I1342-V1346 VanDerWaalsContact O-CG2 3.31Å; I1342-V1346 WeakPolarHBondContact O-CG2 3.23Å; I1342-V1346 PolarHBondContact O-N 3.15Å |
| 1343 | A | 87.5 | Confident | 80.7 | Confident | 36 Ų | 36 | 103.5 Ų | 103.5 | 30% | 0.298 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63 | -42.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W1339 I1345 V1346 V1347 | W1339-A1343 HydrophobicContact CE3-CB 4.2Å; W1339-A1343 HydrophobicContact CZ3-CB 4.34Å; W1339-A1343 WeakPolarHBondContact O-CB 3.4Å; W1339-A1343 PolarHBondContact O-N 3.4Å; A1343-I1345 PolarHBondContact O-N 2.88Å; A1343-V1346 PolarHBondContact O-N 2.8Å; A1343-V1347 WeakPolarHBondContact O-CB 3.32Å; A1343-V1347 VanDerWaalsContact O-CG2 3.31Å; A1343-V1347 WeakPolarHBondContact O-CG2 3.32Å; A1343-V1347 PolarHBondContact O-N 2.82Å |
| 1344 | G | 90.8 | Very high | 82.7 | Confident | 46 Ų | 46 | 102 Ų | 102 | 47% | 0.474 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1340 V1341 G1348 | P1340-G1344 PolarHBondContact O-N 3.49Å; V1341-G1344 PolarHBondContact O-N 2.84Å; G1344-G1348 WeakPolarHBondContact O-CA 3.27Å; G1344-G1348 PolarHBondContact O-N 3.28Å |
| 1345 | I | 91.6 | Very high | 84.4 | Confident | 98 Ų | 98 | 98.9 Ų | 98.9 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 173.8 | -69.7 | 164.3 | 0 | 0 | 0 | 110.9 | V1341 I1342 A1343 G1348 L1349 | V1341-I1345 HydrophobicContact CG1-CD1 4.01Å; V1341-I1345 WeakPolarHBondContact O-CB 3.37Å; V1341-I1345 VanDerWaalsContact O-CG1 3.26Å; V1341-I1345 WeakPolarHBondContact O-CG1 3.47Å; V1341-I1345 PolarHBondContact O-N 3.37Å; I1342-I1345 PolarHBondContact O-N 2.89Å; A1343-I1345 PolarHBondContact O-N 2.88Å; I1345-G1348 PolarHBondContact O-N 2.94Å; I1345-L1349 HydrophobicContact CG2-CD1 3.82Å; I1345-L1349 HydrophobicContact CG2-CG 4.34Å; I1345-L1349 VanDerWaalsContact O-CB 3.31Å; I1345-L1349 WeakPolarHBondContact O-CB 3.39Å; I1345-L1349 VanDerWaalsContact O-CG 3.26Å; I1345-L1349 WeakPolarHBondContact O-CG 3.19Å; I1345-L1349 PolarHBondContact O-N 3.43Å |
| 1346 | V | 91.8 | Very high | 85.9 | Confident | 79 Ų | 79 | 91.8 Ų | 91.8 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -46.8 | 179.6 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | I1342 A1343 L1349 W1350 | I1342-V1346 HydrophobicContact CG2-CG2 4.39Å; I1342-V1346 WeakPolarHBondContact O-CB 3.2Å; I1342-V1346 VanDerWaalsContact O-CG2 3.31Å; I1342-V1346 WeakPolarHBondContact O-CG2 3.23Å; I1342-V1346 PolarHBondContact O-N 3.15Å; A1343-V1346 PolarHBondContact O-N 2.8Å; V1346-L1349 PolarHBondContact O-N 2.82Å; V1346-W1350 WeakPolarHBondContact O-CB 3.31Å; V1346-W1350 PolarHBondContact O-N 3.28Å |
| 1347 | V | 92.8 | Very high | 87.1 | Confident | 86 Ų | 86 | 90.1 Ų | 90.1 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | A1343 W1350 I1351 | A1343-V1347 WeakPolarHBondContact O-CB 3.32Å; A1343-V1347 VanDerWaalsContact O-CG2 3.31Å; A1343-V1347 WeakPolarHBondContact O-CG2 3.32Å; A1343-V1347 PolarHBondContact O-N 2.82Å; V1347-W1350 PolarHBondContact O-N 2.82Å; V1347-I1351 HydrophobicContact CG1-CD1 3.85Å; V1347-I1351 HydrophobicContact CG1-CG1 4.47Å; V1347-I1351 WeakPolarHBondContact O-CG1 3.18Å; V1347-I1351 PolarHBondContact O-N 3.43Å |
| 1348 | G | 92.6 | Very high | 87.9 | Confident | 37 Ų | 37 | 91.7 Ų | 91.7 | 38% | 0.381 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1344 I1345 I1351 L1352 | G1344-G1348 WeakPolarHBondContact O-CA 3.27Å; G1344-G1348 PolarHBondContact O-N 3.28Å; I1345-G1348 PolarHBondContact O-N 2.94Å; G1348-I1351 PolarHBondContact O-N 2.87Å; G1348-L1352 VanDerWaalsContact O-CB 3.27Å; G1348-L1352 WeakPolarHBondContact O-CB 3.43Å; G1348-L1352 PolarHBondContact O-N 3.48Å |
| 1349 | L | 94.1 | Very high | 88.2 | Confident | 99 Ų | 99 | 88.6 Ų | 88.6 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.7 | -36.2 | 174.1 | -74.9 | 171.6 | 0 | 0 | 0 | 112.2 | I1345 V1346 L1352 M1353 | I1345-L1349 HydrophobicContact CG2-CD1 3.82Å; I1345-L1349 HydrophobicContact CG2-CG 4.34Å; I1345-L1349 VanDerWaalsContact O-CB 3.31Å; I1345-L1349 WeakPolarHBondContact O-CB 3.39Å; I1345-L1349 VanDerWaalsContact O-CG 3.26Å; I1345-L1349 WeakPolarHBondContact O-CG 3.19Å; I1345-L1349 PolarHBondContact O-N 3.43Å; V1346-L1349 PolarHBondContact O-N 2.82Å; L1349-L1352 PolarHBondContact O-N 2.89Å; L1349-M1353 VanDerWaalsContact O-CB 3.32Å; L1349-M1353 WeakPolarHBondContact O-CB 3.47Å; L1349-M1353 WeakPolarHBondContact O-CG 3.38Å; L1349-M1353 PolarHBondContact O-N 3.24Å |
| 1350 | W | 92.6 | Very high | 88.1 | Confident | 182 Ų | 182 | 88.3 Ų | 88.3 | 69% | 0.689 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -47.2 | 174.3 | -114.6 | 74.5 | 0 | 0 | 0 | 111.9 | V1346 V1347 L1352 M1353 I1354 | V1346-W1350 WeakPolarHBondContact O-CB 3.31Å; V1346-W1350 PolarHBondContact O-N 3.28Å; V1347-W1350 PolarHBondContact O-N 2.82Å; W1350-L1352 VanDerWaalsContact C-N 3.35Å; W1350-M1353 PolarHBondContact O-N 2.9Å; W1350-I1354 HydrophobicContact CE3-CD1 3.76Å; W1350-I1354 HydrophobicContact CZ3-CD1 4.07Å; W1350-I1354 WeakPolarHBondContact O-CG1 3.26Å; W1350-I1354 PolarHBondContact O-N 2.84Å |
| 1351 | I | 92.1 | Very high | 88 | Confident | 102 Ų | 102 | 90.8 Ų | 90.8 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 174.8 | -67.2 | 168.6 | 0 | 0 | 0 | 109.9 | V1347 G1348 M1353 I1354 L1355 | V1347-I1351 HydrophobicContact CG1-CD1 3.85Å; V1347-I1351 HydrophobicContact CG1-CG1 4.47Å; V1347-I1351 WeakPolarHBondContact O-CG1 3.18Å; V1347-I1351 PolarHBondContact O-N 3.43Å; G1348-I1351 PolarHBondContact O-N 2.87Å; I1351-M1353 VanDerWaalsContact C-N 3.33Å; I1351-M1353 PolarHBondContact O-N 3.44Å; I1351-I1354 PolarHBondContact O-N 2.84Å; I1351-L1355 VanDerWaalsContact O-CB 3.25Å; I1351-L1355 WeakPolarHBondContact O-CB 3.5Å; I1351-L1355 PolarHBondContact O-N 3.43Å |
| 1352 | L | 90 | Very high | 87.7 | Confident | 115 Ų | 115 | 92.3 Ų | 92.3 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -36.3 | 177 | -165.3 | 81.7 | 0 | 0 | 0 | 112.5 | G1348 L1349 W1350 S1356 | G1348-L1352 VanDerWaalsContact O-CB 3.27Å; G1348-L1352 WeakPolarHBondContact O-CB 3.43Å; G1348-L1352 PolarHBondContact O-N 3.48Å; L1349-L1352 PolarHBondContact O-N 2.89Å; W1350-L1352 VanDerWaalsContact C-N 3.35Å; L1352-S1356 VanDerWaalsContact O-CB 3.23Å; L1352-S1356 WeakPolarHBondContact O-CB 3.26Å; L1352-S1356 PolarHBondContact O-N 3.3Å; L1352-S1356 PolarHBondContact O-OG 2.84Å |
| 1353 | M | 89.3 | Confident | 86.7 | Confident | 128 Ų | 128 | 89.6 Ų | 89.6 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.7 | -42.7 | 174.5 | -83.2 | -65.6 | -61.9 | 0 | 0 | 111.7 | L1349 W1350 I1351 S1356 A1357 | L1349-M1353 VanDerWaalsContact O-CB 3.32Å; L1349-M1353 WeakPolarHBondContact O-CB 3.47Å; L1349-M1353 WeakPolarHBondContact O-CG 3.38Å; L1349-M1353 PolarHBondContact O-N 3.24Å; W1350-M1353 PolarHBondContact O-N 2.9Å; I1351-M1353 VanDerWaalsContact C-N 3.33Å; I1351-M1353 PolarHBondContact O-N 3.44Å; M1353-S1356 WeakPolarHBondContact CA-OG 3Å; M1353-S1356 PolarHBondContact O-OG 3.35Å; M1353-A1357 WeakPolarHBondContact O-CB 3.31Å; M1353-A1357 PolarHBondContact O-N 2.85Å |
| 1354 | I | 89.4 | Confident | 85.7 | Confident | 88 Ų | 88 | 95.1 Ų | 95.1 | 45% | 0.451 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 174.4 | -68.7 | 167.3 | 0 | 0 | 0 | 110.5 | W1350 I1351 A1357 L1358 | W1350-I1354 HydrophobicContact CE3-CD1 3.76Å; W1350-I1354 HydrophobicContact CZ3-CD1 4.07Å; W1350-I1354 WeakPolarHBondContact O-CG1 3.26Å; W1350-I1354 PolarHBondContact O-N 2.84Å; I1351-I1354 PolarHBondContact O-N 2.84Å; I1354-A1357 PolarHBondContact O-N 3.5Å; I1354-L1358 HydrophobicContact CG2-CD1 3.96Å; I1354-L1358 HydrophobicContact CG2-CG 4.46Å; I1354-L1358 WeakPolarHBondContact O-CB 3.42Å; I1354-L1358 VanDerWaalsContact O-CG 3.28Å; I1354-L1358 WeakPolarHBondContact O-CG 3.39Å; I1354-L1358 PolarHBondContact O-N 2.77Å |
| 1355 | L | 85.9 | Confident | 84.4 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.8 | -36.7 | -177.6 | -146.7 | 161.2 | 0 | 0 | 0 | 111.4 | I1351 L1358 L1359 | I1351-L1355 VanDerWaalsContact O-CB 3.25Å; I1351-L1355 WeakPolarHBondContact O-CB 3.5Å; I1351-L1355 PolarHBondContact O-N 3.43Å; L1355-L1358 PolarHBondContact O-N 3.44Å; L1355-L1359 HydrophobicContact CD2-CD1 3.63Å; L1355-L1359 HydrophobicContact CD2-CG 4.05Å; L1355-L1359 WeakPolarHBondContact O-CB 3.45Å; L1355-L1359 VanDerWaalsContact O-CG 3.28Å; L1355-L1359 WeakPolarHBondContact O-CG 3.31Å; L1355-L1359 PolarHBondContact O-N 3.08Å |
| 1356 | S | 83.5 | Confident | 82.7 | Confident | 47 Ų | 47 | 100.2 Ų | 100.2 | 33% | 0.329 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.1 | -37 | 171.9 | 61 | 0 | 0 | 0 | 0 | 112.7 | L1352 M1353 L1359 Y1360 | L1352-S1356 VanDerWaalsContact O-CB 3.23Å; L1352-S1356 WeakPolarHBondContact O-CB 3.26Å; L1352-S1356 PolarHBondContact O-N 3.3Å; L1352-S1356 PolarHBondContact O-OG 2.84Å; M1353-S1356 WeakPolarHBondContact CA-OG 3Å; M1353-S1356 PolarHBondContact O-OG 3.35Å; S1356-L1359 PolarHBondContact O-N 3.43Å; S1356-Y1360 WeakPolarHBondContact O-CB 3.3Å; S1356-Y1360 PolarHBondContact O-N 2.82Å |
| 1357 | A | 84.7 | Confident | 80.5 | Confident | 50 Ų | 50 | 108.5 Ų | 108.5 | 41% | 0.413 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.2 | -42.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1353 I1354 Y1360 C1361 | M1353-A1357 WeakPolarHBondContact O-CB 3.31Å; M1353-A1357 PolarHBondContact O-N 2.85Å; I1354-A1357 PolarHBondContact O-N 3.5Å; A1357-Y1360 PolarHBondContact O-N 3.26Å; A1357-C1361 WeakPolarHBondContact O-CB 3.5Å; A1357-C1361 PolarHBondContact O-N 2.86Å; A1357-C1361 PolarHBondContact O-SG 3.06Å; A1357-C1361 VanDerWaalsContact O-SG 3.32Å |
| 1358 | L | 85.6 | Confident | 78 | Confident | 106 Ų | 106 | 116 Ų | 116 | 56% | 0.555 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.3 | -46.8 | 173.4 | -74.4 | 169.1 | 0 | 0 | 0 | 111.6 | I1354 L1355 Y1360 C1361 C1362 | I1354-L1358 HydrophobicContact CG2-CD1 3.96Å; I1354-L1358 HydrophobicContact CG2-CG 4.46Å; I1354-L1358 WeakPolarHBondContact O-CB 3.42Å; I1354-L1358 VanDerWaalsContact O-CG 3.28Å; I1354-L1358 WeakPolarHBondContact O-CG 3.39Å; I1354-L1358 PolarHBondContact O-N 2.77Å; L1355-L1358 PolarHBondContact O-N 3.44Å; L1358-Y1360 VanDerWaalsContact C-N 3.29Å; L1358-Y1360 PolarHBondContact O-N 2.88Å; L1358-C1361 PolarHBondContact O-N 3.21Å; L1358-C1362 WeakPolarHBondContact O-CB 3.35Å; L1358-C1362 PolarHBondContact O-N 3.27Å; L1358-C1362 PolarHBondContact O-SG 2.94Å |
| 1359 | L | 82.1 | Confident | 75.4 | Confident | 59 Ų | 59 | 124 Ų | 124 | 31% | 0.309 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.5 | -32.2 | 176.2 | -74.4 | 169 | 0 | 0 | 0 | 113 | L1355 S1356 C1362 G1363 F1364 F1365 | L1355-L1359 HydrophobicContact CD2-CD1 3.63Å; L1355-L1359 HydrophobicContact CD2-CG 4.05Å; L1355-L1359 WeakPolarHBondContact O-CB 3.45Å; L1355-L1359 VanDerWaalsContact O-CG 3.28Å; L1355-L1359 WeakPolarHBondContact O-CG 3.31Å; L1355-L1359 PolarHBondContact O-N 3.08Å; S1356-L1359 PolarHBondContact O-N 3.43Å; L1359-C1362 CarbonylContact O-C 3.54Å; L1359-G1363 PolarHBondContact O-N 3.31Å; L1359-F1364 HydrophobicContact CB-CB 4.37Å; L1359-F1364 HydrophobicContact CD2-CB 4.23Å; L1359-F1364 HydrophobicContact CD2-CD1 4.46Å; L1359-F1364 HydrophobicContact CD2-CG 4.21Å; L1359-F1364 WeakPolarHBondContact O-CB 3.16Å; L1359-F1364 PolarHBondContact O-N 3.12Å; L1359-F1365 HydrophobicContact CB-CD2 4.37Å; L1359-F1365 HydrophobicContact CB-CE2 3.8Å; L1359-F1365 HydrophobicContact CD1-CE2 4.26Å |
| 1360 | Y | 80.6 | Confident | 72.7 | Confident | 179 Ų | 179 | 127.1 Ų | 127.1 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.5 | -45.2 | 174.5 | -170.4 | -92.9 | 0 | 0 | 0 | 111.2 | S1356 A1357 L1358 C1362 G1363 | S1356-Y1360 WeakPolarHBondContact O-CB 3.3Å; S1356-Y1360 PolarHBondContact O-N 2.82Å; A1357-Y1360 PolarHBondContact O-N 3.26Å; L1358-Y1360 VanDerWaalsContact C-N 3.29Å; L1358-Y1360 PolarHBondContact O-N 2.88Å; Y1360-C1362 VanDerWaalsContact C-N 3.29Å; Y1360-C1362 PolarHBondContact O-N 3.18Å; Y1360-G1363 PolarHBondContact O-N 2.86Å |
| 1361 | C | 81.1 | Confident | 70.1 | Confident | 112 Ų | 112 | 127.7 Ų | 127.7 | 76% | 0.757 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.2 | -32.7 | 171.8 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | A1357 L1358 G1363 | A1357-C1361 WeakPolarHBondContact O-CB 3.5Å; A1357-C1361 PolarHBondContact O-N 2.86Å; A1357-C1361 PolarHBondContact O-SG 3.06Å; A1357-C1361 VanDerWaalsContact O-SG 3.32Å; L1358-C1361 PolarHBondContact O-N 3.21Å; C1361-G1363 PolarHBondContact O-N 3.28Å |
| 1362 | C | 76.9 | Confident | 67.9 | Low | 105 Ų | 105 | 127.4 Ų | 127.4 | 71% | 0.709 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 5.4 | 171.4 | -67.1 | 0 | 0 | 0 | 0 | 113.8 | L1358 L1359 Y1360 F1364 | L1358-C1362 WeakPolarHBondContact O-CB 3.35Å; L1358-C1362 PolarHBondContact O-N 3.27Å; L1358-C1362 PolarHBondContact O-SG 2.94Å; L1359-C1362 CarbonylContact O-C 3.54Å; Y1360-C1362 VanDerWaalsContact C-N 3.29Å; Y1360-C1362 PolarHBondContact O-N 3.18Å; C1362-F1364 VanDerWaalsContact C-N 3.28Å; C1362-F1364 PolarHBondContact O-N 2.87Å |
| 1363 | G | 65.7 | Low | 65.4 | Low | 37 Ų | 37 | 128.1 Ų | 128.1 | 38% | 0.381 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 72.6 | 8.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | L1359 Y1360 C1361 F1365 T1366 | L1359-G1363 PolarHBondContact O-N 3.31Å; Y1360-G1363 PolarHBondContact O-N 2.86Å; C1361-G1363 PolarHBondContact O-N 3.28Å; G1363-F1365 VanDerWaalsContact C-N 3.27Å; G1363-F1365 PolarHBondContact O-N 3.01Å; G1363-F1365 VanDerWaalsContact O-N 3.12Å; G1363-T1366 PolarHBondContact O-OG1 3.01Å; G1363-T1366 VanDerWaalsContact O-OG1 3.08Å |
| 1364 | F | 67.6 | Low | 62.9 | Low | 152 Ų | 152 | 130.3 Ų | 130.3 | 67% | 0.667 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -26 | -165.5 | -168.4 | -100.9 | 0 | 0 | 0 | 114.8 | L1359 C1362 T1366 | L1359-F1364 HydrophobicContact CB-CB 4.37Å; L1359-F1364 HydrophobicContact CD2-CB 4.23Å; L1359-F1364 HydrophobicContact CD2-CD1 4.46Å; L1359-F1364 HydrophobicContact CD2-CG 4.21Å; L1359-F1364 WeakPolarHBondContact O-CB 3.16Å; L1359-F1364 PolarHBondContact O-N 3.12Å; C1362-F1364 VanDerWaalsContact C-N 3.28Å; C1362-F1364 PolarHBondContact O-N 2.87Å; F1364-T1366 PolarHBondContact O-N 2.76Å |
| 1365 | F | 62.5 | Low | 60.4 | Low | 137 Ų | 137 | 135.2 Ų | 135.2 | 60% | 0.601 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 24.1 | -169.6 | -73.9 | -73.7 | 0 | 0 | 0 | 115.9 | L1359 G1363 | L1359-F1365 HydrophobicContact CB-CD2 4.37Å; L1359-F1365 HydrophobicContact CB-CE2 3.8Å; L1359-F1365 HydrophobicContact CD1-CE2 4.26Å; G1363-F1365 VanDerWaalsContact C-N 3.27Å; G1363-F1365 PolarHBondContact O-N 3.01Å; G1363-F1365 VanDerWaalsContact O-N 3.12Å |
| 1366 | T | 56.1 | Low | 57.9 | Low | 115 Ų | 115 | 136.9 Ų | 136.9 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | -117 | 76.8 | -172.4 | 56.6 | 0 | 0 | 0 | 0 | 115.9 | G1363 F1364 | G1363-T1366 PolarHBondContact O-OG1 3.01Å; G1363-T1366 VanDerWaalsContact O-OG1 3.08Å; F1364-T1366 PolarHBondContact O-N 2.76Å | ||
| 1367 | R | 46 | Very low | 55.5 | Low | 253 Ų | 253 | 145.4 Ų | 145.4 | 96% | 0.955 | 71% | 0.708 | S | S | * | * | trans | -157.6 | 161 | 149.7 | -120.9 | 171.9 | 178.6 | -167.3 | -2.4 | 116.3 | ||||
| 1368 | R | 40.1 | Very low | 53.1 | Low | 244 Ų | 244 | 148.9 Ų | 148.9 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | trans | -72.8 | 153 | -159 | -72.1 | 174.2 | 165.2 | 173.7 | -6.5 | 116 | ||||
| 1369 | R | 38.3 | Very low | 50.8 | Low | 205 Ų | 205 | 151.1 Ų | 151.1 | 77% | 0.774 | 73% | 0.731 | S | S | * | * | trans | -88.4 | 155.1 | 166.8 | -67.3 | -177.8 | 176.8 | 176.8 | -1.2 | 112.7 | ||||
| 1370 | I | 37.6 | Very low | 48.4 | Very low | 163 Ų | 163 | 152.9 Ų | 152.9 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | -135.2 | 143 | 164.2 | -64.6 | 176.9 | 0 | 0 | 0 | 107.9 | ||||
| 1371 | Y | 37.7 | Very low | 46 | Very low | 194 Ų | 194 | 153 Ų | 153 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | trans | -133.4 | 129 | 176.7 | -82.8 | -82 | 0 | 0 | 0 | 111.2 | ||||
| 1372 | S | 45.6 | Very low | 43.6 | Very low | 96 Ų | 96 | 155.3 Ų | 155.3 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | trans | -170.1 | 109.1 | 162.6 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1373 | T | 37.6 | Very low | 41.4 | Very low | 130 Ų | 130 | 157 Ų | 157 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | 91.8 | 130.7 | 96.4 | 57.3 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1374 | L | 37.1 | Very low | 39.7 | Very low | 175 Ų | 175 | 163.2 Ų | 163.2 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | 137.1 | 108.2 | 163.6 | -80.7 | 167.6 | 0 | 0 | 0 | 108.1 | ||||
| 1375 | K | 36.9 | Very low | 37.9 | Very low | 191 Ų | 191 | 162.8 Ų | 162.8 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | cis | 101.7 | 70.7 | 22.3 | -155 | 176.9 | -175.8 | 179.5 | 0 | 116.3 | ||||
| 1376 | T | 32.4 | Very low | 36.3 | Very low | 124 Ų | 124 | 162.3 Ų | 162.3 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | 39.8 | 129.5 | 135.8 | 46.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 1377 | R | 32.7 | Very low | 35.4 | Very low | 227 Ų | 227 | 164.3 Ų | 164.3 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | -170.9 | 131.8 | 118.2 | -106.6 | 175.7 | 174.8 | 162 | -1.8 | 116.1 | |||||
| 1378 | N | 34.2 | Very low | 34.5 | Very low | 122 Ų | 122 | 163.7 Ų | 163.7 | 65% | 0.652 | 78% | 0.775 | S | S | * | * | trans | 66.6 | 113.2 | 141.8 | -61.9 | 2.6 | 0 | 0 | 0 | 123.6 | ||||
| 1379 | I | 37.3 | Very low | 33.9 | Very low | 153 Ų | 153 | 157.4 Ų | 157.4 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | 67.7 | 127.9 | 126.4 | -63.6 | 169.3 | 0 | 0 | 0 | 117 | |||||
| 1380 | S | 32.1 | Very low | 33.5 | Very low | 97 Ų | 97 | 154.2 Ų | 154.2 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | cis | -166 | -170.6 | -4.6 | 59.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1381 | F | 31.2 | Very low | 33 | Very low | 180 Ų | 180 | 154.4 Ų | 154.4 | 79% | 0.789 | 74% | 0.744 | S | S | * | * | cis | -141.1 | -101.9 | 9.4 | -156.9 | -94.3 | 0 | 0 | 0 | 112.8 | ||||
| 1382 | F | 29.9 | Very low | 32.5 | Very low | 162 Ų | 162 | 151 Ų | 151 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -148 | 164.2 | -173.9 | -79.6 | -96 | 0 | 0 | 0 | 110.6 | ||||
| 1383 | H | 30.6 | Very low | 31.9 | Very low | 139 Ų | 139 | 154.2 Ų | 154.2 | 64% | 0.644 | 74% | 0.743 | S | S | * | * | cis | -147.6 | 137.6 | 13.3 | -138.3 | -73.7 | 0 | 0 | 0 | 112.3 | ||||
| 1384 | Q | 30.5 | Very low | 31.6 | Very low | 169 Ų | 169 | 153.6 Ų | 153.6 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | 43.4 | 87.3 | 159.5 | -80.2 | 164.7 | -33.7 | 0 | 0 | 121.3 | ||||
| 1385 | N | 29.1 | Very low | 31.4 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | trans | -61.3 | 137.7 | 148.1 | -94.6 | -32.6 | 0 | 0 | 0 | 110.9 | ||||
| 1386 | N | 29.8 | Very low | 31.1 | Very low | 127 Ų | 127 | 147 Ų | 147 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | 73.9 | 126 | 73.8 | -87.4 | -38.6 | 0 | 0 | 0 | 115.7 | |||||
| 1387 | H | 37.3 | Very low | 31.1 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | 40 | 107.7 | 129.2 | -85.4 | -93.1 | 0 | 0 | 0 | 118.1 | N1389 | H1387-N1389 PolarHBondContact O-N 2.79Š| |||
| 1388 | Y | 26.3 | Very low | 30.9 | Very low | 240 Ų | 240 | 144.4 Ų | 144.4 | 94% | 0.941 | 71% | 0.707 | S | S | * | * | trans | -73 | 117 | 137.4 | -110.5 | -91.1 | 0 | 0 | 0 | 108.6 | ||||
| 1389 | N | 28.6 | Very low | 30.7 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 60% | 0.599 | 71% | 0.71 | S | S | * | * | trans | -89.8 | 174 | 171.1 | -149.5 | -6.9 | 0 | 0 | 0 | 108.2 | H1387 | H1387-N1389 PolarHBondContact O-N 2.79Š| ||
| 1390 | E | 29.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 65% | 0.645 | 71% | 0.712 | S | S | * | * | trans | 71.3 | 144.2 | 163.4 | -63.2 | -172.6 | 174 | 0 | 0 | 118.2 | ||||
| 1391 | R | 27 | Very low | 30 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 63% | 0.63 | 72% | 0.718 | S | S | * | * | cis | -171.3 | 163.9 | -29.1 | -124.3 | -174.8 | -134.5 | 120 | 16.9 | 106 | ||||
| 1392 | N | 27.6 | Very low | 29.9 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 66% | 0.658 | 72% | 0.715 | S | S | * | * | trans | 53.4 | 109.9 | 152.9 | -53.5 | -5.4 | 0 | 0 | 0 | 117.7 | ||||
| 1393 | H | 31.6 | Very low | 29.8 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 75% | 0.75 | 72% | 0.715 | S | S | * | * | -162.8 | 117.7 | 99.8 | -94.4 | -68.1 | 0 | 0 | 0 | 105.8 | |||||
| 1394 | D | 31.6 | Very low | 29.7 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | 89.3 | 143.9 | 103.4 | -74.5 | 17.1 | 0 | 0 | 0 | 111.2 | |||||
| 1395 | N | 33.2 | Very low | 29.8 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 61% | 0.61 | 72% | 0.721 | S | S | * | * | cis | -152 | 138.3 | -2.9 | -114.6 | -38.7 | 0 | 0 | 0 | 110.5 | ||||
| 1396 | N | 30.3 | Very low | 30 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 60% | 0.599 | 72% | 0.721 | S | S | * | * | trans | 36.9 | 112.2 | 132.2 | -79.7 | -61.2 | 0 | 0 | 0 | 122 | N1398 | N1396-N1398 PolarHBondContact OD1-ND2 2.92Å; N1396-N1398 VanDerWaalsContact OD1-ND2 3.08Å | ||
| 1397 | L | 33.2 | Very low | 30.1 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 92% | 0.921 | 72% | 0.718 | S | S | * | * | trans | -175 | 92.4 | 146.7 | -104.6 | 148.4 | 0 | 0 | 0 | 106.7 | ||||
| 1398 | N | 27.4 | Very low | 29.9 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | cis | 82.4 | 132 | 18.6 | -131.2 | -5.1 | 0 | 0 | 0 | 115.9 | N1396 | N1396-N1398 PolarHBondContact OD1-ND2 2.92Å; N1396-N1398 VanDerWaalsContact OD1-ND2 3.08Å | ||
| 1399 | S | 31.4 | Very low | 30 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | trans | 67.5 | 126.7 | -174.6 | 75.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1400 | K | 26.5 | Very low | 30 | Very low | 192 Ų | 192 | 138.9 Ų | 138.9 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | 53.5 | 109.4 | 52 | -73.2 | -173.1 | 173.7 | -178.5 | 0 | 113 | |||||
| 1401 | F | 28.3 | Very low | 29.8 | Very low | 181 Ų | 181 | 141 Ų | 141 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | 165.3 | 154.6 | 129.5 | -108.2 | -79 | 0 | 0 | 0 | 113.1 | |||||
| 1402 | F | 29.2 | Very low | 29.8 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | 57.8 | 115.2 | 171.5 | -77 | -89.2 | 0 | 0 | 0 | 117.5 | ||||
| 1403 | D | 26.7 | Very low | 29.9 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | 76.2 | 111.4 | 52.2 | -79.4 | -27.7 | 0 | 0 | 0 | 115.1 | |||||
| 1404 | W | 29.5 | Very low | 29.7 | Very low | 224 Ų | 224 | 140.1 Ų | 140.1 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | 175.2 | 125.4 | 112.3 | -104.8 | 12.2 | 0 | 0 | 0 | 115.1 | |||||
| 1405 | T | 32.6 | Very low | 29.6 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | trans | 56.6 | 147.7 | 136 | 62.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 1406 | S | 32.6 | Very low | 29.5 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | cis | -173.3 | 171.3 | -5.7 | 50.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1407 | S | 32.3 | Very low | 29.4 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | cis | -164.1 | 145.2 | 14.9 | 39 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1408 | Q | 32.1 | Very low | 29.4 | Very low | 197 Ų | 197 | 141.8 Ų | 141.8 | 92% | 0.921 | 74% | 0.737 | S | S | * | * | trans | 56.8 | 143.6 | 139.2 | -60.3 | 166 | -3.1 | 0 | 0 | 120.3 | ||||
| 1409 | G | 29.1 | Very low | 29.4 | Very low | 62 Ų | 62 | 145.9 Ų | 145.9 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | cis | 151.6 | 151.6 | -3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1410 | S | 28.4 | Very low | 29.2 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | 60.8 | 123.7 | 170.5 | 49.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1411 | F | 26 | Very low | 29.4 | Very low | 184 Ų | 184 | 144.3 Ų | 144.3 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | 79 | 108.5 | 62.8 | -93.8 | -112.7 | 0 | 0 | 0 | 115.7 | |||||
| 1412 | I | 27.4 | Very low | 29.4 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | trans | 72.8 | 144.2 | 136.9 | -66 | -173 | 0 | 0 | 0 | 119.8 | ||||
| 1413 | K | 29 | Very low | 29.3 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 77% | 0.774 | 73% | 0.73 | S | S | * | * | trans | 76.8 | 102.4 | 168.2 | -81.3 | 164.2 | -177.2 | -176.9 | 0 | 116.3 | ||||
| 1414 | T | 27.7 | Very low | 29.6 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | 84.2 | 119.6 | 75.6 | 56.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1415 | E | 28 | Very low | 29.5 | Very low | 164 Ų | 164 | 133 Ų | 133 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | 83 | 137.2 | 137.9 | -91.4 | -174.9 | -153.1 | 0 | 0 | 123.4 | ||||
| 1416 | N | 31.3 | Very low | 29.5 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | trans | 84.1 | 103.5 | 145.5 | -62.1 | -29.2 | 0 | 0 | 0 | 121.3 | ||||
| 1417 | N | 29 | Very low | 29.4 | Very low | 122 Ų | 122 | 135 Ų | 135 | 65% | 0.652 | 74% | 0.739 | S | S | * | * | 47.2 | 115.4 | 113.8 | -57.6 | -28.4 | 0 | 0 | 0 | 118.6 | |||||
| 1418 | H | 32.2 | Very low | 29.7 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | 175.6 | 118.2 | 101.8 | -88.7 | -54.6 | 0 | 0 | 0 | 109.2 | |||||
| 1419 | R | 27.5 | Very low | 29.8 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | 74.6 | 127 | 91.5 | -102.3 | -169.9 | 176.6 | -179.8 | -0.8 | 114.8 | |||||
| 1420 | L | 28.1 | Very low | 29.8 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | trans | 98.2 | 126.7 | 132.2 | -79.4 | 170 | 0 | 0 | 0 | 121.5 | ||||
| 1421 | L | 29.7 | Very low | 29.7 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | trans | 91.8 | 114.4 | 139.9 | -66 | 160.6 | 0 | 0 | 0 | 120.6 | ||||
| 1422 | T | 29.1 | Very low | 29.9 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 74% | 0.742 | 73% | 0.727 | S | S | * | * | 59.9 | 148.3 | 125.7 | 60.4 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1423 | S | 27.8 | Very low | 30.1 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | cis | -173.7 | 177.7 | -9.2 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1424 | S | 31.6 | Very low | 30 | Very low | 96 Ų | 96 | 133.3 Ų | 133.3 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | trans | 67.9 | 113.5 | 149.8 | 55.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1425 | N | 28.7 | Very low | 30.1 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | 34.9 | 128.7 | 125.8 | -56.3 | -7.1 | 0 | 0 | 0 | 121.4 | |||||
| 1426 | S | 33.1 | Very low | 30.2 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | 173.3 | 173.6 | 112 | 47 | 0 | 0 | 0 | 0 | 114 | |||||
| 1427 | T | 29.5 | Very low | 30 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | trans | -101.5 | 172.4 | -159.9 | 28.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1428 | P | 37.6 | Very low | 29.9 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | trans | -95.9 | 179 | -161.5 | 42.2 | -39.5 | 0 | 0 | 0 | 114.5 | ||||
| 1429 | P | 34.5 | Very low | 29.7 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | -161 | 177.5 | 93 | 42.2 | -22 | 0 | 0 | 0 | 118.6 | |||||
| 1430 | M | 28.9 | Very low | 29.8 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | trans | 59.5 | 160 | 149.1 | -80 | 171 | 65.1 | 0 | 0 | 121.1 | ||||
| 1431 | S | 27.3 | Very low | 29.8 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 54% | 0.538 | 76% | 0.761 | S | S | . | * | cis | 178 | 169.6 | -27.4 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1432 | I | 30.1 | Very low | 29.9 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | 113.9 | 134.7 | 150.7 | -64.2 | 155.2 | 0 | 0 | 0 | 121.5 | ||||
| 1433 | Q | 31.4 | Very low | 30 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | 62.3 | 130.3 | 160.9 | -76.9 | 148.6 | 4.1 | 0 | 0 | 120.9 | ||||
| 1434 | N | 27.2 | Very low | 30.2 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | cis | 86.5 | 126.1 | 37.3 | -83.1 | 17.3 | 0 | 0 | 0 | 116.4 | ||||
| 1435 | N | 29.7 | Very low | 30.1 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | trans | -166 | 150.7 | 142.1 | -97.1 | -23.4 | 0 | 0 | 0 | 112.9 | ||||
| 1436 | H | 28.9 | Very low | 30.1 | Very low | 167 Ų | 167 | 147 Ų | 147 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -90.6 | 169.4 | -173 | -76.5 | -91.2 | 0 | 0 | 0 | 114.7 | ||||
| 1437 | F | 27.3 | Very low | 29.9 | Very low | 209 Ų | 209 | 150.6 Ų | 150.6 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | -168 | 169.4 | 119.5 | -103.8 | -70.6 | 0 | 0 | 0 | 111.9 | |||||
| 1438 | E | 28.3 | Very low | 30.1 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -140 | 175.4 | -150.1 | -166.8 | 164.7 | -136.3 | 0 | 0 | 112.9 | ||||
| 1439 | F | 27.3 | Very low | 29.8 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | trans | 134.3 | 105.7 | 154.2 | -79.1 | -72.4 | 0 | 0 | 0 | 120.1 | ||||
| 1440 | D | 29.5 | Very low | 29.7 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | 52.5 | 120.3 | 126.1 | -57.7 | 3.5 | 0 | 0 | 0 | 127.7 | |||||
| 1441 | D | 28.4 | Very low | 29.8 | Very low | 150 Ų | 150 | 153.9 Ų | 153.9 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | 52.5 | 131.7 | 121.3 | -63.6 | -4 | 0 | 0 | 0 | 127.2 | |||||
| 1442 | S | 31 | Very low | 30.3 | Very low | 127 Ų | 127 | 155.9 Ų | 155.9 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | 168.7 | 165.4 | 110.6 | 45.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 1443 | E | 30.9 | Very low | 30.4 | Very low | 182 Ų | 182 | 157.3 Ų | 157.3 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -99 | 169.5 | -160.3 | -51.5 | 172.5 | 105.8 | 0 | 0 | 116.7 | ||||
| 1444 | E | 32.5 | Very low | 30.2 | Very low | 192 Ų | 192 | 155.5 Ų | 155.5 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | 179 | 172.9 | 117.2 | -100.7 | -165.9 | 156.1 | 0 | 0 | 115.2 | |||||
| 1445 | T | 30.7 | Very low | 30.4 | Very low | 121 Ų | 121 | 155.7 Ų | 155.7 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -124.4 | 164.7 | -154.6 | 63 | 0 | 0 | 0 | 0 | 116 | ||||
| 1446 | C | 27.3 | Very low | 30.4 | Very low | 128 Ų | 128 | 151 Ų | 151 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | 171.9 | 166 | 125.9 | -95.6 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1447 | K | 29.8 | Very low | 30.5 | Very low | 199 Ų | 199 | 149.5 Ų | 149.5 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | trans | -112.4 | 169 | -163.7 | -57.6 | 169.9 | 176.3 | 172.7 | 0 | 115.4 | ||||
| 1448 | S | 34.5 | Very low | 30.6 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -177.8 | 154.1 | 130.8 | 48.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1449 | N | 30.7 | Very low | 30.8 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -106.8 | 170.9 | -169.8 | -61.6 | -19.9 | 0 | 0 | 0 | 114.3 | ||||
| 1450 | M | 32.8 | Very low | 30.8 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 94% | 0.936 | 76% | 0.764 | S | S | * | * | 178.6 | 161.2 | 117.3 | -97.9 | -171 | 170.6 | 0 | 0 | 115.7 | |||||
| 1451 | N | 30.8 | Very low | 30.8 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -109.1 | 172.6 | -162.4 | -57.3 | -18.3 | 0 | 0 | 0 | 114.8 | ||||
| 1452 | D | 36.3 | Very low | 30.7 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | 158.3 | 134.6 | 112.8 | -107 | -1.5 | 0 | 0 | 0 | 117.7 | |||||
| 1453 | K | 33.1 | Very low | 30.6 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | trans | 65.4 | 153.6 | 133.7 | -72.4 | -177 | -176.1 | 79.6 | 0 | 122.8 | ||||
| 1454 | L | 28.1 | Very low | 30.5 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | cis | -176 | 151.1 | -11.2 | -175.4 | 77 | 0 | 0 | 0 | 112.5 | ||||
| 1455 | L | 30.5 | Very low | 30.3 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | trans | 48.4 | 161.4 | 158.2 | -92.1 | 71.1 | 0 | 0 | 0 | 121.9 | ||||
| 1456 | S | 29.9 | Very low | 30.1 | Very low | 74 Ų | 74 | 141.5 Ų | 141.5 | 52% | 0.517 | 73% | 0.728 | S | S | . | * | cis | -173.2 | 173 | -29.3 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1457 | D | 31.4 | Very low | 30.1 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | trans | 66.7 | 151.3 | 152.3 | -48.7 | -33.7 | 0 | 0 | 0 | 121.4 | ||||
| 1458 | E | 29.9 | Very low | 30 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 72% | 0.715 | 71% | 0.714 | S | S | * | * | cis | -165.3 | 166.1 | -15.4 | -114 | -168.1 | 139.5 | 0 | 0 | 113.1 | ||||
| 1459 | H | 30.8 | Very low | 29.7 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 64% | 0.639 | 71% | 0.712 | S | S | * | * | trans | 87.1 | 125.8 | 143.9 | -83.3 | 26.3 | 0 | 0 | 0 | 127 | ||||
| 1460 | F | 28.4 | Very low | 29.5 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | trans | 58.6 | 120.3 | 139.5 | -80.1 | -108.6 | 0 | 0 | 0 | 122.8 | ||||
| 1461 | E | 28.2 | Very low | 29.2 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | 67 | 141.1 | 87 | -67.7 | -149.2 | 154.3 | 0 | 0 | 115.5 | |||||
| 1462 | K | 27.2 | Very low | 28.9 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 63% | 0.626 | 72% | 0.716 | S | S | * | * | cis | -165.1 | 164.8 | -1.3 | -122.8 | 178.4 | -171.4 | 135.4 | 0 | 110.7 | ||||
| 1463 | N | 29.7 | Very low | 28.5 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | trans | 74.6 | 113.4 | 148.7 | -66.8 | -3.1 | 0 | 0 | 0 | 123.3 | ||||
| 1464 | T | 28.4 | Very low | 28.2 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | 60 | 140.1 | 128.4 | 63.8 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1465 | L | 27.1 | Very low | 28.2 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | cis | -161.1 | 147.7 | 6.5 | -149.5 | 72.5 | 0 | 0 | 0 | 110.7 | ||||
| 1466 | H | 27.8 | Very low | 28.1 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | 66.2 | 140.2 | 152 | -85.1 | -43.6 | 0 | 0 | 0 | 124.4 | ||||
| 1467 | I | 27.8 | Very low | 27.8 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 100.4 | 96.3 | 156 | -62.9 | 150.2 | 0 | 0 | 0 | 118.2 | ||||
| 1468 | T | 26.1 | Very low | 27.7 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | trans | 38.4 | 111 | 146.4 | 64.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1469 | N | 27.9 | Very low | 27.5 | Very low | 151 Ų | 151 | 151 Ų | 151 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | 178.9 | 169.1 | 107.1 | -93.8 | -33.5 | 0 | 0 | 0 | 113.4 | |||||
| 1470 | N | 26.8 | Very low | 27.4 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | trans | -42.7 | 171.8 | -179.9 | -62.9 | -41.7 | 0 | 0 | 0 | 118.5 | ||||
| 1471 | E | 27.6 | Very low | 27.3 | Very low | 194 Ų | 194 | 149 Ų | 149 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | trans | 89.4 | 95.6 | 165.1 | -54.1 | -171.3 | 164.9 | 0 | 0 | 116.7 | ||||
| 1472 | C | 24.8 | Very low | 27.5 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 92% | 0.919 | 76% | 0.757 | S | S | * | * | trans | -141.6 | 104.9 | 154.8 | -160.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1473 | Q | 26.8 | Very low | 27.6 | Very low | 162 Ų | 162 | 149.1 Ų | 149.1 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -108.1 | 141.7 | 168.3 | -94 | -164.5 | -11 | 0 | 0 | 109.7 | ||||
| 1474 | Q | 27 | Very low | 27.7 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | 69.6 | 139.6 | 151.9 | -63.7 | 173.9 | 19.2 | 0 | 0 | 119.9 | ||||
| 1475 | N | 27.9 | Very low | 27.8 | Very low | 143 Ų | 143 | 153.7 Ų | 153.7 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | 76.6 | 139.6 | 168.5 | -44.8 | -49.7 | 0 | 0 | 0 | 114.6 | ||||
| 1476 | L | 28.5 | Very low | 28 | Very low | 157 Ų | 157 | 153.8 Ų | 153.8 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | cis | -128.7 | 142.4 | 15.5 | -79.9 | 83.7 | 0 | 0 | 0 | 114.1 | ||||
| 1477 | F | 24.7 | Very low | 28.1 | Very low | 207 Ų | 207 | 152 Ų | 152 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | trans | -105.1 | 140.4 | 153.8 | -124.1 | -90.4 | 0 | 0 | 0 | 107.3 | ||||
| 1478 | K | 27.5 | Very low | 28.2 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 94.6 | 134.7 | -165.8 | -62.7 | 165.7 | 175.2 | 175.4 | 0 | 111.4 | ||||
| 1479 | K | 27.5 | Very low | 28.3 | Very low | 164 Ų | 164 | 153 Ų | 153 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | cis | -130.1 | -175.9 | 9 | -115.1 | 172.7 | 164.5 | -164.4 | 0 | 107.7 | ||||
| 1480 | F | 27.9 | Very low | 28.4 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 60% | 0.596 | 77% | 0.769 | S | S | * | * | cis | -152.9 | 177.5 | 2.9 | -134.1 | -35 | 0 | 0 | 0 | 108.4 | ||||
| 1481 | V | 27 | Very low | 28.6 | Very low | 118 Ų | 118 | 153.6 Ų | 153.6 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | trans | -141.1 | 136.2 | 155.7 | 166.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1482 | E | 30.6 | Very low | 28.6 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | -156.6 | 132.9 | 155.5 | -119.9 | 159.9 | -138.8 | 0 | 0 | 109.3 | ||||
| 1483 | P | 30.3 | Very low | 28.8 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -96.4 | 175.3 | -175.2 | 39.2 | -35.9 | 0 | 0 | 0 | 112.4 | ||||
| 1484 | N | 32.1 | Very low | 28.8 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 89% | 0.893 | 74% | 0.738 | S | S | * | * | trans | -119.1 | 141.2 | 162.8 | -112 | 0.6 | 0 | 0 | 0 | 110.7 | ||||
| 1485 | E | 29.9 | Very low | 29.2 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | trans | -77.7 | 154.4 | -177.6 | -59.7 | 165.4 | 134.3 | 0 | 0 | 111.8 | ||||
| 1486 | N | 32.2 | Very low | 29.2 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | 175.5 | 135.3 | 119 | -88.4 | -19.5 | 0 | 0 | 0 | 112.5 | |||||
| 1487 | N | 30.2 | Very low | 29.1 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | trans | 65.9 | 145.7 | 156.1 | -62.1 | 39.1 | 0 | 0 | 0 | 118.2 | ||||
| 1488 | E | 29.5 | Very low | 29.3 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | cis | -167.8 | 145.8 | -20.7 | -117.9 | 165.3 | 166.5 | 0 | 0 | 107.2 | ||||
| 1489 | N | 28.5 | Very low | 29.1 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | 73.7 | 150.2 | 158 | -51.8 | -24.4 | 0 | 0 | 0 | 121.1 | ||||
| 1490 | D | 29.9 | Very low | 29.1 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | trans | 66.9 | 107.6 | 165.9 | -50.1 | -15.7 | 0 | 0 | 0 | 117 | ||||
| 1491 | E | 30.1 | Very low | 29 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | 67.4 | 127.5 | 79 | -71 | -169.7 | -176.7 | 0 | 0 | 113.1 | |||||
| 1492 | C | 27.7 | Very low | 29 | Very low | 70 Ų | 70 | 143.7 Ų | 143.7 | 47% | 0.473 | 74% | 0.743 | S | S | . | * | cis | -170.5 | 144.8 | -1.3 | -131.8 | 0 | 0 | 0 | 0 | 114.5 | E820 | E820-C1492 PolarHBondContact OE1-N 2.67Š| ||
| 1493 | F | 28.3 | Very low | 28.8 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | 79.2 | 116.9 | 162.9 | -73 | -80.7 | 0 | 0 | 0 | 123.2 | ||||
| 1494 | S | 27.4 | Very low | 28.6 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | -99.8 | -179.9 | 151.6 | 74.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1495 | P | 34.7 | Very low | 28.3 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | -152.9 | -171.5 | 55 | 41.3 | -17.4 | 0 | 0 | 0 | 118 | |||||
| 1496 | L | 28 | Very low | 28.2 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | trans | -97.5 | 169.7 | -172.5 | -76.3 | 142.6 | 0 | 0 | 0 | 114.9 | ||||
| 1497 | L | 27.2 | Very low | 27.9 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | trans | 73.1 | 104.3 | 137.3 | -85.7 | 163 | 0 | 0 | 0 | 121 | ||||
| 1498 | R | 28 | Very low | 27.7 | Very low | 220 Ų | 220 | 147.9 Ų | 147.9 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | 165.2 | 126.9 | 100.7 | -92 | 162.2 | -173.8 | -170.2 | 4.2 | 115.6 | |||||
| 1499 | Q | 25 | Very low | 27.5 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 54.3 | 149.8 | 144.3 | -56.9 | -168.6 | -5.8 | 0 | 0 | 120.2 | ||||
| 1500 | P | 26.9 | Very low | 27.4 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | -131.5 | 155.7 | 91.4 | 37.5 | -30.1 | 0 | 0 | 0 | 114.2 | V1502 | P1500-V1502 PolarHBondContact O-N 3.29Š| |||
| 1501 | K | 25.3 | Very low | 27.3 | Very low | 187 Ų | 187 | 148 Ų | 148 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -67.8 | 117.2 | 156.9 | -70.1 | 172.7 | 177.2 | 174.1 | 0 | 108 | ||||
| 1502 | V | 28.3 | Very low | 27.1 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | trans | -95.7 | 99.2 | 160.5 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | P1500 L1504 | P1500-V1502 PolarHBondContact O-N 3.29Å; V1502-L1504 HydrophobicContact CG1-CB 4.22Å; V1502-L1504 HydrophobicContact CG1-CD1 4.48Å | ||
| 1503 | L | 24.8 | Very low | 27 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -90.4 | 99.6 | 163 | -166.8 | 113.7 | 0 | 0 | 0 | 106.2 | ||||
| 1504 | L | 27.5 | Very low | 26.9 | Very low | 150 Ų | 150 | 152 Ų | 152 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -134.3 | 113.4 | 166.4 | -120 | 122.5 | 0 | 0 | 0 | 109.3 | V1502 | V1502-L1504 HydrophobicContact CG1-CB 4.22Å; V1502-L1504 HydrophobicContact CG1-CD1 4.48Å | ||
| 1505 | S | 24.7 | Very low | 26.9 | Very low | 107 Ų | 107 | 153.2 Ų | 153.2 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 117.3 | 178.7 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1506 | E | 27.4 | Very low | 26.6 | Very low | 182 Ų | 182 | 153 Ų | 153 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -130.7 | 123.7 | 151.7 | -72.8 | -163.1 | 140.8 | 0 | 0 | 110.5 | ||||
| 1507 | Q | 26.6 | Very low | 26.5 | Very low | 180 Ų | 180 | 154.6 Ų | 154.6 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | 61.4 | 81.8 | 161.9 | -59.8 | -173.3 | -14.9 | 0 | 0 | 118.5 | Q1509 | Q1507-Q1509 PolarHBondContact O-N 3.16Å; Q1507-Q1509 VanDerWaalsContact O-N 3.09Å | ||
| 1508 | H | 25.8 | Very low | 26.7 | Very low | 182 Ų | 182 | 156.3 Ų | 156.3 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -54.8 | 105.2 | 139.2 | -91.3 | -76.6 | 0 | 0 | 0 | 110.5 | ||||
| 1509 | Q | 25.9 | Very low | 26.7 | Very low | 156 Ų | 156 | 152.7 Ų | 152.7 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | trans | -132.2 | 69.3 | 148.9 | -80.5 | -162.5 | -7.1 | 0 | 0 | 110 | Q1507 Q1511 | Q1507-Q1509 PolarHBondContact O-N 3.16Å; Q1507-Q1509 VanDerWaalsContact O-N 3.09Å; Q1509-Q1511 PolarHBondContact O-N 2.97Å | ||
| 1510 | S | 26.6 | Very low | 27 | Very low | 102 Ų | 102 | 155 Ų | 155 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -66.4 | 87.1 | 154.4 | 49.2 | 0 | 0 | 0 | 0 | 108.1 | Q1512 | S1510-Q1512 PolarHBondContact O-N 2.64Š| ||
| 1511 | Q | 27.5 | Very low | 27.1 | Very low | 163 Ų | 163 | 158 Ų | 158 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -61 | 130.9 | 175.7 | -79.4 | -174.7 | -17.4 | 0 | 0 | 110 | Q1509 L1513 | Q1509-Q1511 PolarHBondContact O-N 2.97Å; Q1511-L1513 PolarHBondContact O-N 3.29Å | ||
| 1512 | Q | 25.1 | Very low | 27.3 | Very low | 181 Ų | 181 | 154 Ų | 154 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -65.4 | 129.4 | 170.5 | -63.7 | 162.5 | -57.5 | 0 | 0 | 108.6 | S1510 | S1510-Q1512 PolarHBondContact O-N 2.64Š| ||
| 1513 | L | 26.1 | Very low | 27.2 | Very low | 156 Ų | 156 | 153.4 Ų | 153.4 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -126.8 | 93.2 | 156.1 | -110 | 159.5 | 0 | 0 | 0 | 107.4 | Q1511 V1515 | Q1511-L1513 PolarHBondContact O-N 3.29Å; L1513-V1515 PolarHBondContact O-N 3.32Å; L1513-V1515 VanDerWaalsContact O-N 3.13Å | ||
| 1514 | E | 25.8 | Very low | 27.5 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -61.5 | 106.3 | 163.1 | -70 | 179.8 | 126 | 0 | 0 | 108.1 | I1516 | E1514-I1516 HydrophobicContact CB-CG1 4.43Å; E1514-I1516 PolarHBondContact O-N 3.13Å | ||
| 1515 | V | 27.7 | Very low | 27.5 | Very low | 124 Ų | 124 | 152 Ų | 152 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -90 | 86.8 | 159.5 | -177.4 | 0 | 0 | 0 | 0 | 106.8 | L1513 E1517 | L1513-V1515 PolarHBondContact O-N 3.32Å; L1513-V1515 VanDerWaalsContact O-N 3.13Å; V1515-E1517 HydrophobicContact CG1-CG 4.45Å; V1515-E1517 PolarHBondContact O-N 3.41Å | ||
| 1516 | I | 28.9 | Very low | 27.6 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 61% | 0.61 | 78% | 0.782 | S | S | * | * | trans | -75.7 | 102.6 | 162.5 | -66.1 | 173.8 | 0 | 0 | 0 | 106.5 | E1514 E1518 | E1514-I1516 HydrophobicContact CB-CG1 4.43Å; E1514-I1516 PolarHBondContact O-N 3.13Å; I1516-E1518 HydrophobicContact CG2-CB 4.31Å; I1516-E1518 HydrophobicContact CG2-CG 3.99Å; I1516-E1518 PolarHBondContact O-N 3.48Å; I1516-E1518 VanDerWaalsContact O-N 3.14Å | ||
| 1517 | E | 26.4 | Very low | 27.7 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -68.3 | 98.1 | 160.3 | -71.1 | -180 | 133.7 | 0 | 0 | 108.4 | V1515 | V1515-E1517 HydrophobicContact CG1-CG 4.45Å; V1515-E1517 PolarHBondContact O-N 3.41Å | ||
| 1518 | E | 29.6 | Very low | 27.7 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -127.4 | 128 | 157.5 | -81.8 | -159.5 | 153.5 | 0 | 0 | 110.7 | I1516 | I1516-E1518 HydrophobicContact CG2-CB 4.31Å; I1516-E1518 HydrophobicContact CG2-CG 3.99Å; I1516-E1518 PolarHBondContact O-N 3.48Å; I1516-E1518 VanDerWaalsContact O-N 3.14Å | ||
| 1519 | D | 28.3 | Very low | 28 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -60.7 | 132.8 | 177.8 | -56.9 | -68.5 | 0 | 0 | 0 | 112.2 | ||||
| 1520 | K | 31.3 | Very low | 28.1 | Very low | 208 Ų | 208 | 145.2 Ų | 145.2 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | trans | -170.8 | 158.6 | 133 | -104.2 | 147.4 | -165 | 163.8 | 0 | 115.8 | ||||
| 1521 | E | 29.5 | Very low | 28.4 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -82.7 | 161.1 | -165.5 | -59.4 | 157.4 | 117.6 | 0 | 0 | 114.6 | ||||
| 1522 | S | 29.4 | Very low | 28.5 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 82 | 95.4 | 144.8 | 73.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1523 | S | 26.9 | Very low | 28.7 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | 78.8 | 141 | 120.5 | 80.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1524 | K | 29.8 | Very low | 28.8 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 86.1 | 106.2 | 153.5 | -70.5 | 179.5 | 178.5 | 177.3 | 0 | 121.2 | ||||
| 1525 | S | 28.9 | Very low | 28.9 | Very low | 99 Ų | 99 | 151.1 Ų | 151.1 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | 65.7 | 102.5 | 127.2 | 65.2 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1526 | S | 26.3 | Very low | 28.9 | Very low | 111 Ų | 111 | 152.5 Ų | 152.5 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | 42.9 | 107.7 | 125.1 | 64 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1527 | V | 29.6 | Very low | 28.9 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -141.1 | 137.3 | 135.2 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1528 | S | 26.5 | Very low | 29.1 | Very low | 103 Ų | 103 | 152.5 Ų | 152.5 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -75.3 | 147.6 | 175.4 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1529 | L | 31.3 | Very low | 29 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -147 | 120.4 | 157.1 | -110.3 | 155 | 0 | 0 | 0 | 111.3 | ||||
| 1530 | N | 27.7 | Very low | 29.1 | Very low | 138 Ų | 138 | 151.8 Ų | 151.8 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | -68.2 | 145.4 | 168.2 | -67.6 | -22.8 | 0 | 0 | 0 | 109.8 | ||||
| 1531 | N | 33.4 | Very low | 28.9 | Very low | 136 Ų | 136 | 148 Ų | 148 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | 175.2 | 133.2 | 107 | -87.6 | -24.1 | 0 | 0 | 0 | 112.2 | |||||
| 1532 | N | 29.2 | Very low | 28.9 | Very low | 137 Ų | 137 | 146 Ų | 146 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | 34.5 | 113 | 138.4 | -49.7 | -10.1 | 0 | 0 | 0 | 119 | ||||
| 1533 | F | 30.5 | Very low | 28.8 | Very low | 217 Ų | 217 | 149.3 Ų | 149.3 | 95% | 0.952 | 82% | 0.816 | S | S | * | * | -150 | 136.3 | 123.6 | -106.5 | -75.1 | 0 | 0 | 0 | 109.6 | |||||
| 1534 | E | 27.1 | Very low | 29 | Very low | 187 Ų | 187 | 153 Ų | 153 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | trans | -86.6 | 134 | -178.4 | -64.1 | 173.4 | 120.4 | 0 | 0 | 111.7 | ||||
| 1535 | L | 27.7 | Very low | 28.9 | Very low | 207 Ų | 207 | 149.7 Ų | 149.7 | 100% | 1.084 | 82% | 0.823 | S | S | * | * | trans | -169.4 | 0 | 142.4 | -110.3 | 162.5 | 0 | 0 | 0 | 111.6 | M1 | M1-L1535 HydrophobicContact CE-CD2 3.99Å; M1-L1535 VanDerWaalsContact CE-OXT 3.3Å; M1-L1535 WeakPolarHBondContact CE-OXT 3.19Å |
Retrieved 1,535 of 1,535 residues in 1930.3 ms
(Link to these results)