| 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 | 38.9 | Very low | 72.8 | Confident | 243 Ų | 243 | 82.2 Ų | 82.2 | 100% | 1.197 | 44% | 0.437 | S | S | * | . | 0 | 105.3 | 0 | -67.2 | -179.4 | -163.3 | 0 | 0 | 105.5 | |||||
| 2 | C | 48.6 | Very low | 73.7 | Confident | 74 Ų | 74 | 81.2 Ų | 81.2 | 50% | 0.5 | 45% | 0.449 | S | S | . | . | trans | -65.9 | 136.3 | 168.5 | -79 | 0 | 0 | 0 | 0 | 107.7 | D6 | C2-D6 HydrophobicContact CB-CB 4.13Š| ||
| 3 | N | 58.8 | Low | 74.6 | Confident | 99 Ų | 99 | 76 Ų | 76 | 53% | 0.529 | 42% | 0.422 | S | S | . | . | trans | -65.8 | 150.9 | 168.2 | -161.5 | 0.6 | 0 | 0 | 0 | 107.8 | M5 D6 | N3-M5 PolarHBondContact O-N 3.27Å; N3-D6 WeakPolarHBondContact CB-OD2 3.5Å; N3-D6 PolarHBondContact N-OD2 3.27Å; N3-D6 VanDerWaalsContact N-OD2 3.08Å; N3-D6 WeakPolarHBondContact O-CB 3.31Å; N3-D6 PolarHBondContact O-N 2.86Å | ||
| 4 | E | 66 | Low | 75.2 | Confident | 185 Ų | 185 | 73.8 Ų | 73.8 | 86% | 0.864 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19 | 177.2 | -79.8 | -178.7 | 165.6 | 0 | 0 | 112.5 | ||
| 5 | M | 77 | Confident | 75.8 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 45% | 0.453 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -13 | 176 | -57.4 | -174.4 | 121.2 | 0 | 0 | 114.2 | N3 D35 R36 R37 | N3-M5 PolarHBondContact O-N 3.27Å; M5-D35 HydrophobicContact CE-CB 4.41Å; M5-D35 WeakPolarHBondContact CE-O 3.25Å; M5-R36 WeakPolarHBondContact O-CA 3.48Å; M5-R37 PolarHBondContact O-N 3.44Å |
| 6 | D | 81.2 | Confident | 76.3 | Confident | 9 Ų | 9 | 77.1 Ų | 77.1 | 5% | 0.048 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 129.9 | -176.8 | -64.6 | -27.6 | 0 | 0 | 0 | 111.2 | C2 N3 P8 R37 I39 | C2-D6 HydrophobicContact CB-CB 4.13Å; N3-D6 WeakPolarHBondContact CB-OD2 3.5Å; N3-D6 PolarHBondContact N-OD2 3.27Å; N3-D6 VanDerWaalsContact N-OD2 3.08Å; N3-D6 WeakPolarHBondContact O-CB 3.31Å; N3-D6 PolarHBondContact O-N 2.86Å; D6-P8 WeakPolarHBondContact O-CD 3.42Å; D6-R37 CarbonylContact C-O 3.55Å; D6-R37 WeakPolarHBondContact CA-O 3.4Å; D6-R37 IonicContact OD1-CZ 3.2Å; D6-R37 IonicContact OD1-NE 3.85Å; D6-R37 PolarHBondContact OD1-NE 3.41Å; D6-R37 IonicContact OD1-NH2 2.86Å; D6-R37 PolarHBondContact OD1-NH2 3.19Å; D6-R37 IonicContact OD2-CZ 2.57Å; D6-R37 IonicContact OD2-NH2 2.83Å; D6-R37 PolarHBondContact OD2-NH2 3.36Å; D6-I39 HydrophobicContact CB-CD1 3.74Å; D6-I39 HydrophobicContact CB-CG1 4.37Å |
| 7 | I | 84.1 | Confident | 76.7 | Confident | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 102.7 | 173.2 | -59.1 | 170.1 | 0 | 0 | 0 | 108.5 | I9 I32 R36 R37 G38 I39 V73 A74 Y77 | I7-I9 HydrophobicContact CG2-CD1 4.45Å; I7-I9 HydrophobicContact CG2-CG1 4.01Å; I7-I9 PolarHBondContact O-N 3.16Å; I7-I32 HydrophobicContact CD1-CD1 4.02Å; I7-I32 HydrophobicContact CD1-CG1 4.38Å; I7-R36 HydrophobicContact CD1-CB 4.01Å; I7-R36 HydrophobicContact CD1-CG 4.29Å; I7-R37 PolarHBondContact N-O 3.07Å; I7-G38 CarbonylContact O-C 3.57Å; I7-G38 WeakPolarHBondContact O-CA 3.46Å; I7-I39 PolarHBondContact O-N 2.64Å; I7-V73 HydrophobicContact CD1-CG1 3.97Å; I7-V73 HydrophobicContact CG2-CG1 4.09Å; I7-A74 VanDerWaalsContact CD1-CA 3.45Å; I7-A74 HydrophobicContact CD1-CB 3.66Å; I7-Y77 HydrophobicContact CG1-CD1 4.28Å; I7-Y77 HydrophobicContact CG1-CG 4.16Å; I7-Y77 HydrophobicContact CG2-CD2 3.74Å; I7-Y77 HydrophobicContact CG2-CE2 4.37Å; I7-Y77 HydrophobicContact CG2-CG 3.97Å |
| 8 | P | 85 | Confident | 77 | Confident | 39 Ų | 39 | 75.8 Ų | 75.8 | 25% | 0.253 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 125 | 172.6 | 28.6 | -32.7 | 0 | 0 | 0 | 110.6 | D6 I39 F41 Y77 | D6-P8 WeakPolarHBondContact O-CD 3.42Å; P8-I39 CarbonylContact C-O 3.59Å; P8-I39 WeakPolarHBondContact CA-O 3.43Å; P8-F41 HydrophobicContact CB-CD2 4.49Å; P8-F41 HydrophobicContact CB-CE2 4.02Å; P8-Y77 HydrophobicContact CG-CE2 4.13Å |
| 9 | I | 86.5 | Confident | 77.1 | Confident | 27 Ų | 27 | 75.7 Ų | 75.7 | 14% | 0.138 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 120.5 | 178.9 | -56.7 | 173.2 | 0 | 0 | 0 | 107.5 | I7 V28 I39 F40 F41 V73 | I7-I9 HydrophobicContact CG2-CD1 4.45Å; I7-I9 HydrophobicContact CG2-CG1 4.01Å; I7-I9 PolarHBondContact O-N 3.16Å; I9-V28 HydrophobicContact CD1-CG1 3.59Å; I9-I39 PolarHBondContact N-O 2.84Å; I9-F40 HydrophobicContact CB-CD1 3.89Å; I9-F40 HydrophobicContact CB-CE1 4.02Å; I9-F40 HydrophobicContact CD1-CD1 4.44Å; I9-F40 HydrophobicContact CD1-CE1 3.8Å; I9-F40 HydrophobicContact CD1-CZ 3.85Å; I9-F40 HydrophobicContact CG2-CD1 3.88Å; I9-F40 HydrophobicContact CG2-CE1 3.82Å; I9-F40 CarbonylContact O-C 3.34Å; I9-F40 VanDerWaalsContact O-CA 3.32Å; I9-F40 WeakPolarHBondContact O-CA 3.34Å; I9-F41 PolarHBondContact O-N 2.81Å; I9-V73 HydrophobicContact CD1-CG1 4.12Å |
| 10 | V | 87.5 | Confident | 77.2 | Confident | 96 Ų | 96 | 73.1 Ų | 73.1 | 58% | 0.582 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.4 | -178.5 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | F41 I43 | V10-F41 WeakPolarHBondContact CA-O 3.22Å; V10-F41 HydrophobicContact CG1-CB 4.37Å; V10-F41 HydrophobicContact CG2-CB 4.18Å; V10-F41 HydrophobicContact CG2-CD2 4.28Å; V10-I43 HydrophobicContact CG1-CD1 4.09Å; V10-I43 HydrophobicContact CG1-CG1 4.31Å |
| 11 | T | 87.7 | Confident | 77.4 | Confident | 36 Ų | 36 | 70 Ų | 70 | 22% | 0.221 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 158.2 | 176.4 | -173.9 | 0 | 0 | 0 | 0 | 110 | L21 M24 F41 V42 I43 | T11-L21 HydrophobicContact CG2-CD1 3.43Å; T11-L21 VanDerWaalsContact CG2-CD1 3.43Å; T11-M24 HydrophobicContact CG2-CE 3.8Å; T11-F41 PolarHBondContact N-O 2.75Å; T11-V42 HydrophobicContact CG2-CG2 4Å; T11-V42 CarbonylContact O-C 3.6Å; T11-V42 WeakPolarHBondContact O-CA 3.37Å; T11-I43 PolarHBondContact O-N 2.64Å |
| 12 | A | 83 | Confident | 79.4 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 58% | 0.579 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | I43 | A12-I43 WeakPolarHBondContact CA-O 3.49Å; A12-I43 HydrophobicContact CB-CB 4.04Å |
| 13 | S | 85.4 | Confident | 80.9 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 151.9 | -178.1 | -157.1 | 0 | 0 | 0 | 0 | 112.5 | Y17 I43 D45 | S13-Y17 WeakPolarHBondContact OG-CB 3.39Å; S13-I43 PolarHBondContact N-O 3.31Å; S13-I43 VanDerWaalsContact N-O 3.07Å; S13-D45 PolarHBondContact O-N 2.72Å |
| 14 | D | 84 | Confident | 82.2 | Confident | 45 Ų | 45 | 53.1 Ų | 53.1 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 179.3 | 168.5 | 79.9 | 7.5 | 0 | 0 | 0 | 110.2 | N16 Y17 V18 D45 L47 | D14-N16 PolarHBondContact O-N 3.43Å; D14-N16 WeakPolarHBondContact OD1-CA 3.37Å; D14-N16 VanDerWaalsContact OD1-CB 3.26Å; D14-N16 WeakPolarHBondContact OD1-CB 3.35Å; D14-N16 PolarHBondContact OD1-N 2.94Å; D14-N16 PolarHBondContact OD2-ND2 3.13Å; D14-N16 VanDerWaalsContact OD2-ND2 3.12Å; D14-Y17 PolarHBondContact O-N 2.75Å; D14-Y17 VanDerWaalsContact OD1-CD2 3.26Å; D14-Y17 WeakPolarHBondContact OD1-CD2 3.27Å; D14-Y17 PolarHBondContact OD1-N 3.03Å; D14-Y17 VanDerWaalsContact OD1-N 3.09Å; D14-V18 PolarHBondContact O-N 2.82Å; D14-D45 HydrophobicContact CB-CB 4.32Å; D14-L47 WeakPolarHBondContact O-CD2 3.29Å |
| 15 | E | 83.6 | Confident | 83 | Confident | 72 Ų | 72 | 45 Ų | 45 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.7 | -177.6 | -161.1 | 67.3 | -169.3 | 0 | 0 | 113.6 | Y17 L47 S48 S51 | E15-Y17 VanDerWaalsContact C-N 3.34Å; E15-L47 VanDerWaalsContact OE2-CA 3.28Å; E15-L47 WeakPolarHBondContact OE2-CA 3.43Å; E15-L47 WeakPolarHBondContact OE2-CD2 3.5Å; E15-S48 VanDerWaalsContact OE1-CB 3.32Å; E15-S48 WeakPolarHBondContact OE1-CB 3.32Å; E15-S48 PolarHBondContact OE1-OG 3.12Å; E15-S48 PolarHBondContact OE2-N 2.81Å; E15-S51 WeakPolarHBondContact OE1-CB 3.23Å; E15-S51 PolarHBondContact OE1-OG 2.9Å |
| 16 | N | 83.2 | Confident | 83.2 | Confident | 128 Ų | 128 | 42.9 Ų | 42.9 | 68% | 0.684 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -29.7 | -178.7 | -54.2 | -62.7 | 0 | 0 | 0 | 111.8 | D14 | D14-N16 PolarHBondContact O-N 3.43Å; D14-N16 WeakPolarHBondContact OD1-CA 3.37Å; D14-N16 VanDerWaalsContact OD1-CB 3.26Å; D14-N16 WeakPolarHBondContact OD1-CB 3.35Å; D14-N16 PolarHBondContact OD1-N 2.94Å; D14-N16 PolarHBondContact OD2-ND2 3.13Å; D14-N16 VanDerWaalsContact OD2-ND2 3.12Å |
| 17 | Y | 83.7 | Confident | 83.3 | Confident | 128 Ų | 128 | 43.2 Ų | 43.2 | 50% | 0.502 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 1.6 | -178 | -72.1 | -85.6 | 0 | 0 | 0 | 113.9 | S13 D14 E15 P19 C20 L21 D66 | S13-Y17 WeakPolarHBondContact OG-CB 3.39Å; D14-Y17 PolarHBondContact O-N 2.75Å; D14-Y17 VanDerWaalsContact OD1-CD2 3.26Å; D14-Y17 WeakPolarHBondContact OD1-CD2 3.27Å; D14-Y17 PolarHBondContact OD1-N 3.03Å; D14-Y17 VanDerWaalsContact OD1-N 3.09Å; E15-Y17 VanDerWaalsContact C-N 3.34Å; Y17-P19 VanDerWaalsContact C-CD 3.44Å; Y17-P19 VanDerWaalsContact C-N 3.32Å; Y17-C20 WeakPolarHBondContact O-CB 3.46Å; Y17-C20 PolarHBondContact O-N 2.78Å; Y17-L21 PolarHBondContact O-N 2.68Å; Y17-D66 WeakPolarHBondContact CD1-OD2 3.24Å; Y17-D66 WeakPolarHBondContact CE1-OD2 3.49Å |
| 18 | V | 82.4 | Confident | 83.2 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -51.5 | -43.2 | 173.9 | 172.3 | 0 | 0 | 0 | 0 | 113 | D14 C20 L21 K22 L47 | D14-V18 PolarHBondContact O-N 2.82Å; V18-C20 VanDerWaalsContact C-N 3.33Å; V18-C20 PolarHBondContact O-N 3.05Å; V18-L21 PolarHBondContact O-N 3.37Å; V18-K22 HydrophobicContact CG1-CD 4.01Å; V18-K22 VanDerWaalsContact CG1-CE 3.47Å; V18-K22 HydrophobicContact CG1-CG 4.27Å; V18-K22 WeakPolarHBondContact O-CB 3.45Å; V18-K22 VanDerWaalsContact O-CG 3.27Å; V18-K22 WeakPolarHBondContact O-CG 3.25Å; V18-K22 PolarHBondContact O-N 2.83Å; V18-L47 HydrophobicContact CG2-CD2 3.23Å |
| 19 | P | 78.9 | Confident | 83 | Confident | 74 Ų | 74 | 46.7 Ų | 46.7 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.4 | -45 | 175.6 | -25.2 | 36.4 | 0 | 0 | 0 | 112.6 | Y17 K22 V23 | Y17-P19 VanDerWaalsContact C-CD 3.44Å; Y17-P19 VanDerWaalsContact C-N 3.32Å; P19-K22 WeakPolarHBondContact O-CB 3.48Å; P19-K22 PolarHBondContact O-N 3Å; P19-V23 WeakPolarHBondContact O-CG2 3.45Å; P19-V23 PolarHBondContact O-N 3.21Å |
| 20 | C | 77.9 | Confident | 82.6 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 176.3 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | Y17 V18 K22 V23 M24 S65 D66 | Y17-C20 WeakPolarHBondContact O-CB 3.46Å; Y17-C20 PolarHBondContact O-N 2.78Å; V18-C20 VanDerWaalsContact C-N 3.33Å; V18-C20 PolarHBondContact O-N 3.05Å; C20-K22 VanDerWaalsContact C-N 3.29Å; C20-K22 PolarHBondContact O-N 3.32Å; C20-V23 WeakPolarHBondContact O-CA 3.31Å; C20-V23 WeakPolarHBondContact O-CB 3.38Å; C20-V23 PolarHBondContact O-N 3.25Å; C20-M24 PolarHBondContact O-N 3.4Å; C20-S65 PolarHBondContact O-OG 2.68Å; C20-D66 PolarHBondContact SG-OD2 3.25Å |
| 21 | L | 82.8 | Confident | 82.1 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.3 | -42.9 | -179.8 | 175.6 | 60.7 | 0 | 0 | 0 | 111.7 | T11 Y17 V18 V23 M24 I25 V42 L55 | T11-L21 HydrophobicContact CG2-CD1 3.43Å; T11-L21 VanDerWaalsContact CG2-CD1 3.43Å; Y17-L21 PolarHBondContact O-N 2.68Å; V18-L21 PolarHBondContact O-N 3.37Å; L21-V23 PolarHBondContact O-N 3.42Å; L21-M24 HydrophobicContact CD1-CE 3.94Å; L21-M24 PolarHBondContact O-N 2.68Å; L21-I25 HydrophobicContact CD1-CD1 3.89Å; L21-I25 HydrophobicContact CD1-CG1 4.1Å; L21-I25 HydrophobicContact CG-CD1 4Å; L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 3.34Å; L21-V42 HydrophobicContact CD1-CG2 4.43Å; L21-V42 HydrophobicContact CD2-CG1 3.71Å; L21-V42 HydrophobicContact CD2-CG2 4.11Å; L21-L55 HydrophobicContact CB-CD2 4.49Å; L21-L55 HydrophobicContact CD2-CD1 3.77Å; L21-L55 HydrophobicContact CD2-CD2 3.89Å; L21-L55 HydrophobicContact CG-CD2 3.85Å |
| 22 | K | 80.7 | Confident | 81.6 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 17% | 0.165 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -39.1 | 175.8 | -76.8 | 171.7 | 175.5 | 169.6 | 0 | 112.2 | V18 P19 C20 R26 E54 L55 L58 Y62 | V18-K22 HydrophobicContact CG1-CD 4.01Å; V18-K22 VanDerWaalsContact CG1-CE 3.47Å; V18-K22 HydrophobicContact CG1-CG 4.27Å; V18-K22 WeakPolarHBondContact O-CB 3.45Å; V18-K22 VanDerWaalsContact O-CG 3.27Å; V18-K22 WeakPolarHBondContact O-CG 3.25Å; V18-K22 PolarHBondContact O-N 2.83Å; P19-K22 WeakPolarHBondContact O-CB 3.48Å; P19-K22 PolarHBondContact O-N 3Å; C20-K22 VanDerWaalsContact C-N 3.29Å; C20-K22 PolarHBondContact O-N 3.32Å; K22-R26 PolarHBondContact O-N 3Å; K22-E54 IonicContact NZ-OE2 2.72Å; K22-E54 PolarHBondContact NZ-OE2 3.38Å; K22-L55 HydrophobicContact CB-CD2 4.44Å; K22-L55 HydrophobicContact CG-CD2 3.54Å; K22-L55 HydrophobicContact CG-CG 4.37Å; K22-L58 HydrophobicContact CB-CD1 3.97Å; K22-L58 HydrophobicContact CB-CD2 3.78Å; K22-L58 HydrophobicContact CB-CG 4.4Å; K22-L58 HydrophobicContact CD-CD2 4.31Å; K22-L58 HydrophobicContact CG-CD1 3.89Å; K22-L58 HydrophobicContact CG-CD2 3.9Å; K22-L58 HydrophobicContact CG-CG 4.18Å; K22-Y62 HydrophobicContact CB-CE1 4.44Å; K22-Y62 PolarHBondContact O-OH 3.18Å |
| 23 | V | 80.5 | Confident | 81.3 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.7 | -49 | 178.9 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | P19 C20 L21 I25 R26 S27 Y62 S65 F68 | P19-V23 WeakPolarHBondContact O-CG2 3.45Å; P19-V23 PolarHBondContact O-N 3.21Å; C20-V23 WeakPolarHBondContact O-CA 3.31Å; C20-V23 WeakPolarHBondContact O-CB 3.38Å; C20-V23 PolarHBondContact O-N 3.25Å; L21-V23 PolarHBondContact O-N 3.42Å; V23-I25 VanDerWaalsContact C-N 3.34Å; V23-I25 PolarHBondContact O-N 3.01Å; V23-R26 PolarHBondContact O-N 2.96Å; V23-S27 WeakPolarHBondContact O-CB 3.46Å; V23-S27 PolarHBondContact O-N 2.94Å; V23-S27 PolarHBondContact O-OG 3.29Å; V23-Y62 VanDerWaalsContact CA-CZ 3.46Å; V23-Y62 HydrophobicContact CB-CD1 3.53Å; V23-Y62 HydrophobicContact CB-CE1 3.49Å; V23-Y62 VanDerWaalsContact CB-CE1 3.49Å; V23-Y62 HydrophobicContact CB-CG 4.29Å; V23-Y62 HydrophobicContact CG1-CD1 3.52Å; V23-Y62 HydrophobicContact CG1-CD2 4.21Å; V23-Y62 HydrophobicContact CG1-CE1 3.82Å; V23-Y62 HydrophobicContact CG1-CE2 4.43Å; V23-Y62 HydrophobicContact CG1-CG 3.77Å; V23-Y62 HydrophobicContact CG2-CD1 3.06Å; V23-Y62 HydrophobicContact CG2-CE1 3.34Å; V23-Y62 HydrophobicContact CG2-CG 4.07Å; V23-S65 VanDerWaalsContact CB-CB 3.45Å; V23-F68 HydrophobicContact CG1-CD1 3.96Å; V23-F68 HydrophobicContact CG1-CE1 3.37Å; V23-F68 HydrophobicContact CG1-CZ 3.88Å |
| 24 | M | 84.6 | Confident | 80.9 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 11% | 0.108 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.7 | -49.9 | -179.7 | -175.5 | -78.9 | -71.8 | 0 | 0 | 110.2 | T11 C20 L21 R26 S27 V28 F40 T67 | T11-M24 HydrophobicContact CG2-CE 3.8Å; C20-M24 PolarHBondContact O-N 3.4Å; L21-M24 HydrophobicContact CD1-CE 3.94Å; L21-M24 PolarHBondContact O-N 2.68Å; M24-R26 PolarHBondContact O-N 3.44Å; M24-S27 PolarHBondContact O-N 3.08Å; M24-S27 PolarHBondContact O-OG 2.98Å; M24-V28 WeakPolarHBondContact O-CG2 3.37Å; M24-V28 PolarHBondContact O-N 3.28Å; M24-V28 HydrophobicContact SD-CG2 3.93Å; M24-F40 HydrophobicContact CE-CE1 4.42Å; M24-F40 HydrophobicContact SD-CE1 4.2Å; M24-T67 HydrophobicContact CG-CG2 4.42Å |
| 25 | I | 83.8 | Confident | 80.7 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.3 | -49 | -179.5 | -69.5 | 174.6 | 0 | 0 | 0 | 111.5 | L21 V23 V28 M29 F40 L55 L58 | L21-I25 HydrophobicContact CD1-CD1 3.89Å; L21-I25 HydrophobicContact CD1-CG1 4.1Å; L21-I25 HydrophobicContact CG-CD1 4Å; L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 3.34Å; V23-I25 VanDerWaalsContact C-N 3.34Å; V23-I25 PolarHBondContact O-N 3.01Å; I25-V28 PolarHBondContact O-N 3.4Å; I25-M29 HydrophobicContact CG2-SD 4.13Å; I25-M29 WeakPolarHBondContact O-CG 3.44Å; I25-M29 PolarHBondContact O-N 2.93Å; I25-F40 HydrophobicContact CB-CE1 4.31Å; I25-F40 HydrophobicContact CB-CZ 4.35Å; I25-F40 HydrophobicContact CG1-CD1 3.87Å; I25-F40 HydrophobicContact CG1-CE1 3.86Å; I25-F40 HydrophobicContact CG1-CG 4.36Å; I25-F40 HydrophobicContact CG1-CZ 4.36Å; I25-F40 HydrophobicContact CG2-CD2 4.34Å; I25-F40 HydrophobicContact CG2-CE1 4.4Å; I25-F40 HydrophobicContact CG2-CE2 4.04Å; I25-F40 HydrophobicContact CG2-CZ 4.05Å; I25-L55 HydrophobicContact CD1-CD2 4Å; I25-L58 HydrophobicContact CB-CD1 4.44Å; I25-L58 HydrophobicContact CG2-CD1 4.35Å |
| 26 | R | 81.5 | Confident | 80.5 | Confident | 47 Ų | 47 | 56.7 Ų | 56.7 | 18% | 0.177 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.6 | -38.7 | -179.4 | -178.8 | 55.9 | -175.2 | -88.3 | -19.5 | 112.5 | K22 V23 M24 V28 M29 D30 D60 Y62 | K22-R26 PolarHBondContact O-N 3Å; V23-R26 PolarHBondContact O-N 2.96Å; M24-R26 PolarHBondContact O-N 3.44Å; R26-V28 PolarHBondContact O-N 3.45Å; R26-M29 CarbonylContact O-C 3.08Å; R26-M29 PolarHBondContact O-N 2.78Å; R26-D30 IonicContact CZ-OD1 3.84Å; R26-D30 IonicContact CZ-OD2 2.84Å; R26-D30 VanDerWaalsContact NE-CG 3.28Å; R26-D30 IonicContact NE-OD1 3.85Å; R26-D30 PolarHBondContact NE-OD1 3.47Å; R26-D30 IonicContact NE-OD2 3.42Å; R26-D30 PolarHBondContact NE-OD2 3.26Å; R26-D30 VanDerWaalsContact NE-OD2 3.13Å; R26-D30 IonicContact NH2-OD1 3.19Å; R26-D30 IonicContact NH2-OD2 2.71Å; R26-D30 WeakPolarHBondContact O-CB 3.35Å; R26-D30 PolarHBondContact O-N 3Å; R26-D60 IonicContact CZ-OD1 3.8Å; R26-D60 IonicContact NH1-OD1 3.65Å; R26-D60 PolarHBondContact NH1-OD1 3.17Å; R26-D60 IonicContact NH2-OD1 2.73Å; R26-D60 PolarHBondContact NH2-OD1 3.41Å; R26-Y62 HydrophobicContact CB-CE2 3.85Å; R26-Y62 WeakPolarHBondContact CB-OH 3.32Å; R26-Y62 HydrophobicContact CG-CE2 3.76Å; R26-Y62 WeakPolarHBondContact CG-OH 3.5Å |
| 27 | S | 82.4 | Confident | 80.1 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 177.3 | 71.5 | 0 | 0 | 0 | 0 | 110.7 | V23 M24 D30 T31 V69 | V23-S27 WeakPolarHBondContact O-CB 3.46Å; V23-S27 PolarHBondContact O-N 2.94Å; V23-S27 PolarHBondContact O-OG 3.29Å; M24-S27 PolarHBondContact O-N 3.08Å; M24-S27 PolarHBondContact O-OG 2.98Å; S27-D30 PolarHBondContact O-N 3.03Å; S27-T31 WeakPolarHBondContact O-CG2 3.35Å; S27-T31 PolarHBondContact O-N 3.12Å; S27-T31 PolarHBondContact O-OG1 3.37Å; S27-V69 PolarHBondContact OG-N 2.96Å |
| 28 | V | 81.9 | Confident | 79.9 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 172 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | I9 M24 I25 R26 D30 T31 I32 F40 V69 V73 | I9-V28 HydrophobicContact CD1-CG1 3.59Å; M24-V28 WeakPolarHBondContact O-CG2 3.37Å; M24-V28 PolarHBondContact O-N 3.28Å; M24-V28 HydrophobicContact SD-CG2 3.93Å; I25-V28 PolarHBondContact O-N 3.4Å; R26-V28 PolarHBondContact O-N 3.45Å; V28-D30 PolarHBondContact O-N 2.98Å; V28-T31 PolarHBondContact O-N 3.14Å; V28-T31 PolarHBondContact O-OG1 2.8Å; V28-I32 VanDerWaalsContact O-CB 3.26Å; V28-I32 WeakPolarHBondContact O-CB 3.35Å; V28-I32 WeakPolarHBondContact O-CG2 3.45Å; V28-I32 PolarHBondContact O-N 3.09Å; V28-F40 HydrophobicContact CB-CE1 4.41Å; V28-F40 HydrophobicContact CB-CZ 3.82Å; V28-F40 HydrophobicContact CG1-CE1 4.39Å; V28-F40 HydrophobicContact CG1-CZ 3.66Å; V28-F40 HydrophobicContact CG2-CE1 4.45Å; V28-F40 HydrophobicContact CG2-CZ 4.33Å; V28-V69 HydrophobicContact CG2-CB 3.76Å; V28-V69 HydrophobicContact CG2-CG1 4.07Å; V28-V69 HydrophobicContact CG2-CG2 3.41Å; V28-V69 VanDerWaalsContact CG2-CG2 3.41Å; V28-V73 HydrophobicContact CG1-CG1 4.24Å |
| 29 | M | 81 | Confident | 79.8 | Confident | 114 Ų | 114 | 54.5 Ų | 54.5 | 56% | 0.562 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.5 | -29.6 | -178.8 | -72.1 | -175.9 | 68.4 | 0 | 0 | 113.3 | I25 R26 F40 | I25-M29 HydrophobicContact CG2-SD 4.13Å; I25-M29 WeakPolarHBondContact O-CG 3.44Å; I25-M29 PolarHBondContact O-N 2.93Å; R26-M29 CarbonylContact O-C 3.08Å; R26-M29 PolarHBondContact O-N 2.78Å; M29-F40 HydrophobicContact CG-CE2 4.3Å |
| 30 | D | 78.6 | Confident | 80 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 57% | 0.567 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -78 | -26.6 | 177.4 | -76.5 | -16.3 | 0 | 0 | 0 | 112.1 | R26 S27 V28 | R26-D30 IonicContact CZ-OD1 3.84Å; R26-D30 IonicContact CZ-OD2 2.84Å; R26-D30 VanDerWaalsContact NE-CG 3.28Å; R26-D30 IonicContact NE-OD1 3.85Å; R26-D30 PolarHBondContact NE-OD1 3.47Å; R26-D30 IonicContact NE-OD2 3.42Å; R26-D30 PolarHBondContact NE-OD2 3.26Å; R26-D30 VanDerWaalsContact NE-OD2 3.13Å; R26-D30 IonicContact NH2-OD1 3.19Å; R26-D30 IonicContact NH2-OD2 2.71Å; R26-D30 WeakPolarHBondContact O-CB 3.35Å; R26-D30 PolarHBondContact O-N 3Å; S27-D30 PolarHBondContact O-N 3.03Å; V28-D30 PolarHBondContact O-N 2.98Å |
| 31 | T | 76.3 | Confident | 80.2 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 25% | 0.245 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -104.1 | -23.7 | -176 | 64.7 | 0 | 0 | 0 | 0 | 115.1 | S27 V28 T71 D72 | S27-T31 WeakPolarHBondContact O-CG2 3.35Å; S27-T31 PolarHBondContact O-N 3.12Å; S27-T31 PolarHBondContact O-OG1 3.37Å; V28-T31 PolarHBondContact O-N 3.14Å; V28-T31 PolarHBondContact O-OG1 2.8Å; T31-T71 VanDerWaalsContact CB-O 3.29Å; T31-T71 WeakPolarHBondContact CB-O 3.26Å; T31-T71 PolarHBondContact OG1-O 3.33Å; T31-D72 WeakPolarHBondContact O-CA 3.32Å |
| 32 | I | 77.7 | Confident | 80.2 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -59.5 | 138.1 | -178.1 | -167.8 | 170.7 | 0 | 0 | 0 | 111.4 | I7 V28 R36 G38 D72 V73 | I7-I32 HydrophobicContact CD1-CD1 4.02Å; I7-I32 HydrophobicContact CD1-CG1 4.38Å; V28-I32 VanDerWaalsContact O-CB 3.26Å; V28-I32 WeakPolarHBondContact O-CB 3.35Å; V28-I32 WeakPolarHBondContact O-CG2 3.45Å; V28-I32 PolarHBondContact O-N 3.09Å; I32-R36 HydrophobicContact CD1-CB 4.17Å; I32-R36 HydrophobicContact CG1-CB 4Å; I32-G38 VanDerWaalsContact CD1-N 3.32Å; I32-D72 WeakPolarHBondContact CA-OD1 3.35Å; I32-V73 HydrophobicContact CD1-CG1 4.36Å; I32-V73 HydrophobicContact CG1-CG1 4.48Å |
| 33 | S | 76.7 | Confident | 80.3 | Confident | 44 Ų | 44 | 62.9 Ų | 62.9 | 31% | 0.308 | 31% | 0.31 | S | S | . | . | trans | -59.2 | 144.1 | 177.7 | 178.2 | 0 | 0 | 0 | 0 | 112 | D35 R36 D72 | S33-D35 VanDerWaalsContact CB-OD1 3.23Å; S33-D35 WeakPolarHBondContact CB-OD1 3.45Å; S33-D35 PolarHBondContact O-N 3.34Å; S33-D35 VanDerWaalsContact O-N 3.13Å; S33-D35 PolarHBondContact OG-OD1 2.95Å; S33-R36 PolarHBondContact O-N 3.07Å; S33-D72 WeakPolarHBondContact CB-OD2 3.49Å; S33-D72 VanDerWaalsContact N-CG 3.27Å; S33-D72 PolarHBondContact N-OD1 3.03Å; S33-D72 VanDerWaalsContact N-OD1 3.1Å; S33-D72 PolarHBondContact N-OD2 3.39Å | ||
| 34 | K | 76.3 | Confident | 80.3 | Confident | 217 Ų | 217 | 66.3 Ų | 66.3 | 94% | 0.943 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17.4 | -174.9 | -65.5 | -176.1 | -179.9 | 176.3 | 0 | 114.2 | ||
| 35 | D | 80.9 | Confident | 80.1 | Confident | 94 Ų | 94 | 70.1 Ų | 70.1 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -5.2 | 175.7 | 69.3 | -33.9 | 0 | 0 | 0 | 113.1 | M5 S33 | M5-D35 HydrophobicContact CE-CB 4.41Å; M5-D35 WeakPolarHBondContact CE-O 3.25Å; S33-D35 VanDerWaalsContact CB-OD1 3.23Å; S33-D35 WeakPolarHBondContact CB-OD1 3.45Å; S33-D35 PolarHBondContact O-N 3.34Å; S33-D35 VanDerWaalsContact O-N 3.13Å; S33-D35 PolarHBondContact OG-OD1 2.95Å |
| 36 | R | 77.8 | Confident | 79.9 | Confident | 40 Ų | 40 | 76.1 Ų | 76.1 | 15% | 0.151 | 38% | 0.381 | C | S | . | . | trans | -105.9 | 156 | 176.8 | -58.3 | -67 | -79.4 | -94 | 3.1 | 110.6 | M5 I7 I32 S33 A74 Y77 D78 | M5-R36 WeakPolarHBondContact O-CA 3.48Å; I7-R36 HydrophobicContact CD1-CB 4.01Å; I7-R36 HydrophobicContact CD1-CG 4.29Å; I32-R36 HydrophobicContact CD1-CB 4.17Å; I32-R36 HydrophobicContact CG1-CB 4Å; S33-R36 PolarHBondContact O-N 3.07Å; R36-A74 HydrophobicContact CG-CB 3.92Å; R36-Y77 VanDerWaalsContact NH2-CD1 3.27Å; R36-D78 IonicContact CZ-OD1 2.68Å; R36-D78 IonicContact CZ-OD2 3.5Å; R36-D78 IonicContact NH1-OD1 3.88Å; R36-D78 PolarHBondContact NH1-OD1 3.33Å; R36-D78 IonicContact NH1-OD2 2.72Å; R36-D78 PolarHBondContact NH1-OD2 3.23Å; R36-D78 IonicContact NH2-OD1 3.67Å; R36-D78 PolarHBondContact NH2-OD1 3.01Å; R36-D78 IonicContact NH2-OD2 2.89Å | ||
| 37 | R | 76 | Confident | 80 | Confident | 145 Ų | 145 | 74.5 Ų | 74.5 | 55% | 0.547 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 113.8 | 177 | -177.8 | 174.4 | 64.1 | 160 | 1.9 | 110.1 | M5 D6 I7 | M5-R37 PolarHBondContact O-N 3.44Å; D6-R37 CarbonylContact C-O 3.55Å; D6-R37 WeakPolarHBondContact CA-O 3.4Å; D6-R37 IonicContact OD1-CZ 3.2Å; D6-R37 IonicContact OD1-NE 3.85Å; D6-R37 PolarHBondContact OD1-NE 3.41Å; D6-R37 IonicContact OD1-NH2 2.86Å; D6-R37 PolarHBondContact OD1-NH2 3.19Å; D6-R37 IonicContact OD2-CZ 2.57Å; D6-R37 IonicContact OD2-NH2 2.83Å; D6-R37 PolarHBondContact OD2-NH2 3.36Å; I7-R37 PolarHBondContact N-O 3.07Å |
| 38 | G | 78.6 | Confident | 80.1 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 27% | 0.268 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 129.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | I7 I32 | I7-G38 CarbonylContact O-C 3.57Å; I7-G38 WeakPolarHBondContact O-CA 3.46Å; I32-G38 VanDerWaalsContact CD1-N 3.32Å |
| 39 | I | 80.1 | Confident | 80.2 | Confident | 44 Ų | 44 | 80.1 Ų | 80.1 | 23% | 0.226 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 108.6 | 173.7 | -56.4 | -178 | 0 | 0 | 0 | 107.8 | D6 I7 P8 I9 F41 | D6-I39 HydrophobicContact CB-CD1 3.74Å; D6-I39 HydrophobicContact CB-CG1 4.37Å; I7-I39 PolarHBondContact O-N 2.64Å; P8-I39 CarbonylContact C-O 3.59Å; P8-I39 WeakPolarHBondContact CA-O 3.43Å; I9-I39 PolarHBondContact N-O 2.84Å; I39-F41 HydrophobicContact CB-CE2 4.33Å; I39-F41 HydrophobicContact CG2-CD2 4.37Å; I39-F41 HydrophobicContact CG2-CE2 3.61Å; I39-F41 HydrophobicContact CG2-CZ 3.75Å |
| 40 | F | 83.4 | Confident | 80.4 | Confident | 53 Ų | 53 | 80.7 Ų | 80.7 | 23% | 0.232 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.8 | -178.8 | -66.4 | -90.4 | 0 | 0 | 0 | 111.8 | I9 M24 I25 V28 M29 | I9-F40 HydrophobicContact CB-CD1 3.89Å; I9-F40 HydrophobicContact CB-CE1 4.02Å; I9-F40 HydrophobicContact CD1-CD1 4.44Å; I9-F40 HydrophobicContact CD1-CE1 3.8Å; I9-F40 HydrophobicContact CD1-CZ 3.85Å; I9-F40 HydrophobicContact CG2-CD1 3.88Å; I9-F40 HydrophobicContact CG2-CE1 3.82Å; I9-F40 CarbonylContact O-C 3.34Å; I9-F40 VanDerWaalsContact O-CA 3.32Å; I9-F40 WeakPolarHBondContact O-CA 3.34Å; M24-F40 HydrophobicContact CE-CE1 4.42Å; M24-F40 HydrophobicContact SD-CE1 4.2Å; I25-F40 HydrophobicContact CB-CE1 4.31Å; I25-F40 HydrophobicContact CB-CZ 4.35Å; I25-F40 HydrophobicContact CG1-CD1 3.87Å; I25-F40 HydrophobicContact CG1-CE1 3.86Å; I25-F40 HydrophobicContact CG1-CG 4.36Å; I25-F40 HydrophobicContact CG1-CZ 4.36Å; I25-F40 HydrophobicContact CG2-CD2 4.34Å; I25-F40 HydrophobicContact CG2-CE1 4.4Å; I25-F40 HydrophobicContact CG2-CE2 4.04Å; I25-F40 HydrophobicContact CG2-CZ 4.05Å; V28-F40 HydrophobicContact CB-CE1 4.41Å; V28-F40 HydrophobicContact CB-CZ 3.82Å; V28-F40 HydrophobicContact CG1-CE1 4.39Å; V28-F40 HydrophobicContact CG1-CZ 3.66Å; V28-F40 HydrophobicContact CG2-CE1 4.45Å; V28-F40 HydrophobicContact CG2-CZ 4.33Å; M29-F40 HydrophobicContact CG-CE2 4.3Å |
| 41 | F | 82.8 | Confident | 80.6 | Confident | 109 Ų | 109 | 76 Ų | 76 | 48% | 0.478 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 110.4 | 167.3 | -60.9 | -87.7 | 0 | 0 | 0 | 107.9 | P8 I9 V10 T11 I39 | P8-F41 HydrophobicContact CB-CD2 4.49Å; P8-F41 HydrophobicContact CB-CE2 4.02Å; I9-F41 PolarHBondContact O-N 2.81Å; V10-F41 WeakPolarHBondContact CA-O 3.22Å; V10-F41 HydrophobicContact CG1-CB 4.37Å; V10-F41 HydrophobicContact CG2-CB 4.18Å; V10-F41 HydrophobicContact CG2-CD2 4.28Å; T11-F41 PolarHBondContact N-O 2.75Å; I39-F41 HydrophobicContact CB-CE2 4.33Å; I39-F41 HydrophobicContact CG2-CD2 4.37Å; I39-F41 HydrophobicContact CG2-CE2 3.61Å; I39-F41 HydrophobicContact CG2-CZ 3.75Å |
| 42 | V | 83.4 | Confident | 80.9 | Confident | 45 Ų | 45 | 77.8 Ų | 77.8 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 115.5 | 176.5 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | T11 L21 D44 L47 | T11-V42 HydrophobicContact CG2-CG2 4Å; T11-V42 CarbonylContact O-C 3.6Å; T11-V42 WeakPolarHBondContact O-CA 3.37Å; L21-V42 HydrophobicContact CD1-CG2 4.43Å; L21-V42 HydrophobicContact CD2-CG1 3.71Å; L21-V42 HydrophobicContact CD2-CG2 4.11Å; V42-D44 PolarHBondContact O-N 3.1Å; V42-L47 HydrophobicContact CG1-CD1 4.15Å |
| 43 | I | 82.1 | Confident | 81 | Confident | 110 Ų | 110 | 81.3 Ų | 81.3 | 56% | 0.564 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 104.2 | 168 | -56.8 | 174.6 | 0 | 0 | 0 | 106.3 | V10 T11 A12 S13 | V10-I43 HydrophobicContact CG1-CD1 4.09Å; V10-I43 HydrophobicContact CG1-CG1 4.31Å; T11-I43 PolarHBondContact O-N 2.64Å; A12-I43 WeakPolarHBondContact CA-O 3.49Å; A12-I43 HydrophobicContact CB-CB 4.04Å; S13-I43 PolarHBondContact N-O 3.31Å; S13-I43 VanDerWaalsContact N-O 3.07Å |
| 44 | D | 80.9 | Confident | 81.1 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 40% | 0.401 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.8 | -175.5 | 80 | 101.2 | 0 | 0 | 0 | 112.6 | V42 L47 K52 | V42-D44 PolarHBondContact O-N 3.1Å; D44-L47 HydrophobicContact CB-CB 4Å; D44-L47 HydrophobicContact CB-CD1 3.72Å; D44-L47 HydrophobicContact CB-CG 3.76Å; D44-K52 IonicContact OD1-NZ 3.21Å; D44-K52 PolarHBondContact OD1-NZ 2.82Å; D44-K52 IonicContact OD2-NZ 3.89Å; D44-K52 PolarHBondContact OD2-NZ 3.42Å |
| 45 | D | 79.2 | Confident | 81.3 | Confident | 103 Ų | 103 | 73.7 Ų | 73.7 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 86.8 | 163.7 | -174.2 | 10.8 | 0 | 0 | 0 | 109.7 | S13 D14 L47 | S13-D45 PolarHBondContact O-N 2.72Å; D14-D45 HydrophobicContact CB-CB 4.32Å; D45-L47 PolarHBondContact O-N 2.81Å |
| 46 | N | 80.4 | Confident | 80.9 | Confident | 140 Ų | 140 | 77.1 Ų | 77.1 | 75% | 0.749 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 59.9 | 37.6 | 176.6 | -62.2 | -70.1 | 0 | 0 | 0 | 114.8 | S48 | N46-S48 PolarHBondContact O-N 2.9Š|
| 47 | L | 83.9 | Confident | 80.4 | Confident | 14 Ų | 14 | 78.7 Ų | 78.7 | 7% | 0.073 | 41% | 0.414 | C | S | . | . | trans | -59 | 131.2 | 173.3 | -73 | -177.4 | 0 | 0 | 0 | 111 | D14 E15 V18 V42 D44 D45 K52 L55 | D14-L47 WeakPolarHBondContact O-CD2 3.29Å; E15-L47 VanDerWaalsContact OE2-CA 3.28Å; E15-L47 WeakPolarHBondContact OE2-CA 3.43Å; E15-L47 WeakPolarHBondContact OE2-CD2 3.5Å; V18-L47 HydrophobicContact CG2-CD2 3.23Å; V42-L47 HydrophobicContact CG1-CD1 4.15Å; D44-L47 HydrophobicContact CB-CB 4Å; D44-L47 HydrophobicContact CB-CD1 3.72Å; D44-L47 HydrophobicContact CB-CG 3.76Å; D45-L47 PolarHBondContact O-N 2.81Å; L47-K52 HydrophobicContact CB-CG 4.13Å; L47-K52 WeakPolarHBondContact O-CE 3.09Å; L47-L55 HydrophobicContact CD1-CD1 4.21Å | ||
| 48 | S | 83.6 | Confident | 79.9 | Confident | 41 Ų | 41 | 73.7 Ų | 73.7 | 29% | 0.287 | 40% | 0.398 | S | S | . | . | trans | -63.6 | 149.5 | 178.5 | 75.8 | 0 | 0 | 0 | 0 | 110.7 | E15 N46 Q50 S51 K52 | E15-S48 VanDerWaalsContact OE1-CB 3.32Å; E15-S48 WeakPolarHBondContact OE1-CB 3.32Å; E15-S48 PolarHBondContact OE1-OG 3.12Å; E15-S48 PolarHBondContact OE2-N 2.81Å; N46-S48 PolarHBondContact O-N 2.9Å; S48-Q50 PolarHBondContact O-N 2.88Å; S48-S51 PolarHBondContact O-N 3.44Å; S48-S51 WeakPolarHBondContact OG-CB 3.21Å; S48-S51 PolarHBondContact OG-N 3.2Å; S48-S51 VanDerWaalsContact OG-N 3.13Å; S48-S51 PolarHBondContact OG-OG 3.07Å; S48-K52 PolarHBondContact O-N 2.84Å | ||
| 49 | S | 84.4 | Confident | 77.9 | Confident | 94 Ų | 94 | 79.2 Ų | 79.2 | 66% | 0.657 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -56.2 | -36.1 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | K52 D53 | S49-K52 PolarHBondContact O-N 3.04Å; S49-D53 PolarHBondContact O-N 3.25Å |
| 50 | Q | 84.8 | Confident | 75.8 | Confident | 127 Ų | 127 | 82.4 Ų | 82.4 | 59% | 0.593 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.2 | -47.4 | 174.6 | -179.7 | -180 | -10.2 | 0 | 0 | 111.7 | S48 K52 D53 E54 | S48-Q50 PolarHBondContact O-N 2.88Å; Q50-K52 VanDerWaalsContact C-N 3.31Å; Q50-K52 PolarHBondContact O-N 3.35Å; Q50-D53 PolarHBondContact O-N 3.23Å; Q50-E54 HydrophobicContact CG-CG 4.4Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.34Å; Q50-E54 PolarHBondContact NE2-OE1 2.9Å; Q50-E54 WeakPolarHBondContact O-CB 3.43Å; Q50-E54 VanDerWaalsContact O-CG 3.28Å; Q50-E54 WeakPolarHBondContact O-CG 3.05Å; Q50-E54 PolarHBondContact O-N 2.85Å |
| 51 | S | 84.3 | Confident | 73.7 | Confident | 8 Ų | 8 | 84.2 Ų | 84.2 | 6% | 0.056 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.6 | -36.7 | 178.4 | -76.1 | 0 | 0 | 0 | 0 | 112.3 | E15 S48 E54 L55 | E15-S51 WeakPolarHBondContact OE1-CB 3.23Å; E15-S51 PolarHBondContact OE1-OG 2.9Å; S48-S51 PolarHBondContact O-N 3.44Å; S48-S51 WeakPolarHBondContact OG-CB 3.21Å; S48-S51 PolarHBondContact OG-N 3.2Å; S48-S51 VanDerWaalsContact OG-N 3.13Å; S48-S51 PolarHBondContact OG-OG 3.07Å; S51-E54 PolarHBondContact O-N 3.15Å; S51-L55 WeakPolarHBondContact O-CB 3.43Å; S51-L55 WeakPolarHBondContact O-CD1 3.25Å; S51-L55 WeakPolarHBondContact O-CG 3.43Å; S51-L55 PolarHBondContact O-N 3.39Å |
| 52 | K | 81.3 | Confident | 71.7 | Confident | 76 Ų | 76 | 83.4 Ų | 83.4 | 33% | 0.33 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 173.6 | -64.8 | -174.4 | -175.7 | -168.6 | 0 | 111.5 | D44 L47 S48 S49 Q50 E54 L55 E56 | D44-K52 IonicContact OD1-NZ 3.21Å; D44-K52 PolarHBondContact OD1-NZ 2.82Å; D44-K52 IonicContact OD2-NZ 3.89Å; D44-K52 PolarHBondContact OD2-NZ 3.42Å; L47-K52 HydrophobicContact CB-CG 4.13Å; L47-K52 WeakPolarHBondContact O-CE 3.09Å; S48-K52 PolarHBondContact O-N 2.84Å; S49-K52 PolarHBondContact O-N 3.04Å; Q50-K52 VanDerWaalsContact C-N 3.31Å; Q50-K52 PolarHBondContact O-N 3.35Å; K52-E54 VanDerWaalsContact C-N 3.29Å; K52-E54 PolarHBondContact O-N 3.02Å; K52-L55 PolarHBondContact O-N 3.05Å; K52-E56 PolarHBondContact O-N 3.16Å |
| 53 | D | 79.7 | Confident | 69.3 | Low | 103 Ų | 103 | 86.2 Ų | 86.2 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.4 | -39.6 | 176.6 | -66.9 | -16.2 | 0 | 0 | 0 | 111.5 | S49 Q50 E56 A57 | S49-D53 PolarHBondContact O-N 3.25Å; Q50-D53 PolarHBondContact O-N 3.23Å; D53-E56 PolarHBondContact O-N 3.03Å; D53-A57 VanDerWaalsContact O-CB 3.23Å; D53-A57 WeakPolarHBondContact O-CB 3.35Å; D53-A57 PolarHBondContact O-N 3.29Å |
| 54 | E | 80.3 | Confident | 67.3 | Low | 72 Ų | 72 | 87.4 Ų | 87.4 | 34% | 0.336 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 177.7 | -74.7 | 175.1 | -174.9 | 0 | 0 | 112.6 | K22 Q50 S51 K52 E56 A57 L58 | K22-E54 IonicContact NZ-OE2 2.72Å; K22-E54 PolarHBondContact NZ-OE2 3.38Å; Q50-E54 HydrophobicContact CG-CG 4.4Å; Q50-E54 WeakPolarHBondContact CG-OE1 3.34Å; Q50-E54 PolarHBondContact NE2-OE1 2.9Å; Q50-E54 WeakPolarHBondContact O-CB 3.43Å; Q50-E54 VanDerWaalsContact O-CG 3.28Å; Q50-E54 WeakPolarHBondContact O-CG 3.05Å; Q50-E54 PolarHBondContact O-N 2.85Å; S51-E54 PolarHBondContact O-N 3.15Å; K52-E54 VanDerWaalsContact C-N 3.29Å; K52-E54 PolarHBondContact O-N 3.02Å; E54-E56 VanDerWaalsContact C-N 3.33Å; E54-A57 PolarHBondContact O-N 3.27Å; E54-L58 PolarHBondContact O-N 3.47Å |
| 55 | L | 78.7 | Confident | 66 | Low | 28 Ų | 28 | 84.7 Ų | 84.7 | 15% | 0.147 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 173.3 | -73.8 | 164.2 | 0 | 0 | 0 | 111.3 | L21 K22 I25 L47 S51 K52 A57 L58 | L21-L55 HydrophobicContact CB-CD2 4.49Å; L21-L55 HydrophobicContact CD2-CD1 3.77Å; L21-L55 HydrophobicContact CD2-CD2 3.89Å; L21-L55 HydrophobicContact CG-CD2 3.85Å; K22-L55 HydrophobicContact CB-CD2 4.44Å; K22-L55 HydrophobicContact CG-CD2 3.54Å; K22-L55 HydrophobicContact CG-CG 4.37Å; I25-L55 HydrophobicContact CD1-CD2 4Å; L47-L55 HydrophobicContact CD1-CD1 4.21Å; S51-L55 WeakPolarHBondContact O-CB 3.43Å; S51-L55 WeakPolarHBondContact O-CD1 3.25Å; S51-L55 WeakPolarHBondContact O-CG 3.43Å; S51-L55 PolarHBondContact O-N 3.39Å; K52-L55 PolarHBondContact O-N 3.05Å; L55-A57 VanDerWaalsContact C-N 3.31Å; L55-L58 HydrophobicContact CD2-CD1 4.16Å |
| 56 | E | 73.5 | Confident | 65.1 | Low | 167 Ų | 167 | 85.3 Ų | 85.3 | 78% | 0.78 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.3 | -30.5 | 174 | -70.4 | -176.9 | -179.3 | 0 | 0 | 112.7 | K52 D53 E54 | K52-E56 PolarHBondContact O-N 3.16Å; D53-E56 PolarHBondContact O-N 3.03Å; E54-E56 VanDerWaalsContact C-N 3.33Å |
| 57 | A | 67.1 | Low | 64.3 | Low | 73 Ų | 73 | 81.2 Ų | 81.2 | 60% | 0.603 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 4.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | D53 E54 L55 I59 | D53-A57 VanDerWaalsContact O-CB 3.23Å; D53-A57 WeakPolarHBondContact O-CB 3.35Å; D53-A57 PolarHBondContact O-N 3.29Å; E54-A57 PolarHBondContact O-N 3.27Å; L55-A57 VanDerWaalsContact C-N 3.31Å; A57-I59 PolarHBondContact O-N 3.25Å |
| 58 | L | 65 | Low | 63.4 | Low | 39 Ų | 39 | 85.7 Ų | 85.7 | 20% | 0.204 | 48% | 0.475 | C | S | . | . | trans | -52.4 | 107 | -166.3 | -96.1 | 162.8 | 0 | 0 | 0 | 115.5 | K22 I25 E54 L55 | K22-L58 HydrophobicContact CB-CD1 3.97Å; K22-L58 HydrophobicContact CB-CD2 3.78Å; K22-L58 HydrophobicContact CB-CG 4.4Å; K22-L58 HydrophobicContact CD-CD2 4.31Å; K22-L58 HydrophobicContact CG-CD1 3.89Å; K22-L58 HydrophobicContact CG-CD2 3.9Å; K22-L58 HydrophobicContact CG-CG 4.18Å; I25-L58 HydrophobicContact CB-CD1 4.44Å; I25-L58 HydrophobicContact CG2-CD1 4.35Å; E54-L58 PolarHBondContact O-N 3.47Å; L55-L58 HydrophobicContact CD2-CD1 4.16Å | ||
| 59 | I | 36 | Very low | 62.7 | Low | 142 Ų | 142 | 85 Ų | 85 | 73% | 0.728 | 47% | 0.469 | S | S | * | . | trans | -136.3 | 119.3 | 158.4 | -62.9 | 179.8 | 0 | 0 | 0 | 108.7 | A57 | A57-I59 PolarHBondContact O-N 3.25Š| ||
| 60 | D | 36.5 | Very low | 61.9 | Low | 112 Ų | 112 | 88 Ų | 88 | 60% | 0.599 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 48.7 | 109.6 | 162.5 | -67.3 | 9.3 | 0 | 0 | 0 | 122.6 | R26 | R26-D60 IonicContact CZ-OD1 3.8Å; R26-D60 IonicContact NH1-OD1 3.65Å; R26-D60 PolarHBondContact NH1-OD1 3.17Å; R26-D60 IonicContact NH2-OD1 2.73Å; R26-D60 PolarHBondContact NH2-OD1 3.41Å |
| 61 | A | 39.3 | Very low | 61.2 | Low | 90 Ų | 90 | 84.3 Ų | 84.3 | 74% | 0.744 | 46% | 0.463 | S | S | * | . | 167.8 | 137.8 | 119.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 62 | Y | 41.8 | Very low | 60.8 | Low | 93 Ų | 93 | 85.2 Ų | 85.2 | 37% | 0.365 | 47% | 0.467 | S | S | . | . | trans | -128.5 | 139.1 | -172.2 | -71.1 | -54.1 | 0 | 0 | 0 | 117 | K22 V23 R26 | K22-Y62 HydrophobicContact CB-CE1 4.44Å; K22-Y62 PolarHBondContact O-OH 3.18Å; V23-Y62 VanDerWaalsContact CA-CZ 3.46Å; V23-Y62 HydrophobicContact CB-CD1 3.53Å; V23-Y62 HydrophobicContact CB-CE1 3.49Å; V23-Y62 VanDerWaalsContact CB-CE1 3.49Å; V23-Y62 HydrophobicContact CB-CG 4.29Å; V23-Y62 HydrophobicContact CG1-CD1 3.52Å; V23-Y62 HydrophobicContact CG1-CD2 4.21Å; V23-Y62 HydrophobicContact CG1-CE1 3.82Å; V23-Y62 HydrophobicContact CG1-CE2 4.43Å; V23-Y62 HydrophobicContact CG1-CG 3.77Å; V23-Y62 HydrophobicContact CG2-CD1 3.06Å; V23-Y62 HydrophobicContact CG2-CE1 3.34Å; V23-Y62 HydrophobicContact CG2-CG 4.07Å; R26-Y62 HydrophobicContact CB-CE2 3.85Å; R26-Y62 WeakPolarHBondContact CB-OH 3.32Å; R26-Y62 HydrophobicContact CG-CE2 3.76Å; R26-Y62 WeakPolarHBondContact CG-OH 3.5Å | ||
| 63 | S | 33.1 | Very low | 60.8 | Low | 104 Ų | 104 | 82.7 Ų | 82.7 | 73% | 0.727 | 46% | 0.458 | S | S | * | . | trans | -152 | 147.4 | 136.3 | 84.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 64 | D | 39.8 | Very low | 60.8 | Low | 134 Ų | 134 | 78 Ų | 78 | 72% | 0.717 | 43% | 0.434 | S | S | * | . | trans | 65.9 | 103.4 | -177.4 | -74.5 | -16.2 | 0 | 0 | 0 | 117.7 | ||||
| 65 | S | 53.7 | Low | 60.9 | Low | 18 Ų | 18 | 78.5 Ų | 78.5 | 13% | 0.126 | 44% | 0.436 | C | S | . | . | trans | -131.1 | 142.4 | 166.5 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | C20 V23 T67 F68 | C20-S65 PolarHBondContact O-OG 2.68Å; V23-S65 VanDerWaalsContact CB-CB 3.45Å; S65-T67 PolarHBondContact O-N 3.41Å; S65-T67 PolarHBondContact OG-N 3.21Å; S65-T67 PolarHBondContact OG-O 3.23Å; S65-F68 WeakPolarHBondContact O-CE2 3.43Å | ||
| 66 | D | 59.4 | Low | 61.3 | Low | 116 Ų | 116 | 77.9 Ų | 77.9 | 62% | 0.62 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -74 | -17.1 | 173.4 | -61.2 | -52.3 | 0 | 0 | 0 | 112.5 | Y17 C20 | Y17-D66 WeakPolarHBondContact CD1-OD2 3.24Å; Y17-D66 WeakPolarHBondContact CE1-OD2 3.49Å; C20-D66 PolarHBondContact SG-OD2 3.25Å |
| 67 | T | 64.6 | Low | 62 | Low | 54 Ų | 54 | 74.2 Ų | 74.2 | 33% | 0.331 | 41% | 0.413 | S | S | . | . | trans | -143.3 | 129.8 | 175.8 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | M24 S65 | M24-T67 HydrophobicContact CG-CG2 4.42Å; S65-T67 PolarHBondContact O-N 3.41Å; S65-T67 PolarHBondContact OG-N 3.21Å; S65-T67 PolarHBondContact OG-O 3.23Å | ||
| 68 | F | 64.3 | Low | 63 | Low | 109 Ų | 109 | 75.4 Ų | 75.4 | 48% | 0.478 | 41% | 0.409 | S | S | . | . | trans | -116.8 | 125.9 | 172.6 | -75.5 | -90 | 0 | 0 | 0 | 109 | V23 S65 L70 | V23-F68 HydrophobicContact CG1-CD1 3.96Å; V23-F68 HydrophobicContact CG1-CE1 3.37Å; V23-F68 HydrophobicContact CG1-CZ 3.88Å; S65-F68 WeakPolarHBondContact O-CE2 3.43Å; F68-L70 HydrophobicContact CB-CD2 4.25Å; F68-L70 HydrophobicContact CB-CG 4.44Å | ||
| 69 | V | 69.9 | Low | 64.2 | Low | 27 Ų | 27 | 76.8 Ų | 76.8 | 16% | 0.164 | 41% | 0.414 | C | S | . | . | trans | -91.6 | 114.9 | 172.6 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | S27 V28 T71 | S27-V69 PolarHBondContact OG-N 2.96Å; V28-V69 HydrophobicContact CG2-CB 3.76Å; V28-V69 HydrophobicContact CG2-CG1 4.07Å; V28-V69 HydrophobicContact CG2-CG2 3.41Å; V28-V69 VanDerWaalsContact CG2-CG2 3.41Å; V69-T71 WeakPolarHBondContact CG1-O 3.21Å | ||
| 70 | L | 67.4 | Low | 66.8 | Low | 156 Ų | 156 | 75.8 Ų | 75.8 | 82% | 0.817 | 41% | 0.41 | S | S | * | . | trans | -107.6 | -4.6 | -172.5 | -62 | -179.7 | 0 | 0 | 0 | 113.3 | F68 | F68-L70 HydrophobicContact CB-CD2 4.25Å; F68-L70 HydrophobicContact CB-CG 4.44Å | ||
| 71 | T | 70.2 | Confident | 69.5 | Low | 49 Ų | 49 | 71.2 Ų | 71.2 | 30% | 0.301 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -141.2 | 172.1 | -179.2 | -166.8 | 0 | 0 | 0 | 0 | 110 | T31 V69 V73 W165 | T31-T71 VanDerWaalsContact CB-O 3.29Å; T31-T71 WeakPolarHBondContact CB-O 3.26Å; T31-T71 PolarHBondContact OG1-O 3.33Å; V69-T71 WeakPolarHBondContact CG1-O 3.21Å; T71-V73 PolarHBondContact O-N 3.13Å; T71-W165 HydrophobicContact CG2-CE3 4.27Å; T71-W165 HydrophobicContact CG2-CH2 3.95Å; T71-W165 HydrophobicContact CG2-CZ3 3.42Å; T71-W165 VanDerWaalsContact CG2-CZ3 3.42Å |
| 72 | D | 76 | Confident | 72 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | trans | -65 | 120.4 | 178 | -173.3 | 0.8 | 0 | 0 | 0 | 111 | T31 I32 S33 A74 E75 | T31-D72 WeakPolarHBondContact O-CA 3.32Å; I32-D72 WeakPolarHBondContact CA-OD1 3.35Å; S33-D72 WeakPolarHBondContact CB-OD2 3.49Å; S33-D72 VanDerWaalsContact N-CG 3.27Å; S33-D72 PolarHBondContact N-OD1 3.03Å; S33-D72 VanDerWaalsContact N-OD1 3.1Å; S33-D72 PolarHBondContact N-OD2 3.39Å; D72-A74 PolarHBondContact O-N 3.39Å; D72-A74 WeakPolarHBondContact OD1-CB 3.29Å; D72-A74 PolarHBondContact OD1-N 3.49Å; D72-A74 WeakPolarHBondContact OD2-CB 3.4Å; D72-E75 HydrophobicContact CB-CG 4.49Å; D72-E75 PolarHBondContact O-N 3.47Å | ||
| 73 | V | 80.4 | Confident | 74.4 | Confident | 23 Ų | 23 | 71.4 Ų | 71.4 | 14% | 0.139 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.3 | -17.1 | 178.9 | 91.6 | 0 | 0 | 0 | 0 | 112.2 | I7 I9 V28 I32 T71 E75 L76 Y77 | I7-V73 HydrophobicContact CD1-CG1 3.97Å; I7-V73 HydrophobicContact CG2-CG1 4.09Å; I9-V73 HydrophobicContact CD1-CG1 4.12Å; V28-V73 HydrophobicContact CG1-CG1 4.24Å; I32-V73 HydrophobicContact CD1-CG1 4.36Å; I32-V73 HydrophobicContact CG1-CG1 4.48Å; T71-V73 PolarHBondContact O-N 3.13Å; V73-E75 VanDerWaalsContact C-N 3.26Å; V73-E75 PolarHBondContact O-N 3.35Å; V73-L76 WeakPolarHBondContact O-CB 3.45Å; V73-L76 PolarHBondContact O-N 2.89Å; V73-Y77 PolarHBondContact O-N 3.07Å |
| 74 | A | 79.2 | Confident | 77.5 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 3% | 0.033 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I7 R36 D72 L76 Y77 D78 | I7-A74 VanDerWaalsContact CD1-CA 3.45Å; I7-A74 HydrophobicContact CD1-CB 3.66Å; R36-A74 HydrophobicContact CG-CB 3.92Å; D72-A74 PolarHBondContact O-N 3.39Å; D72-A74 WeakPolarHBondContact OD1-CB 3.29Å; D72-A74 PolarHBondContact OD1-N 3.49Å; D72-A74 WeakPolarHBondContact OD2-CB 3.4Å; A74-L76 VanDerWaalsContact C-N 3.27Å; A74-L76 PolarHBondContact O-N 3.48Å; A74-Y77 PolarHBondContact O-N 2.74Å; A74-Y77 VanDerWaalsContact O-N 3.13Å; A74-D78 WeakPolarHBondContact O-CB 3.31Å; A74-D78 PolarHBondContact O-N 3.33Å |
| 75 | E | 83.2 | Confident | 80.2 | Confident | 83 Ų | 83 | 63.7 Ų | 63.7 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.5 | -33.1 | 177.4 | -70.6 | -179.9 | -163.8 | 0 | 0 | 112.8 | D72 V73 Q79 W165 | D72-E75 HydrophobicContact CB-CG 4.49Å; D72-E75 PolarHBondContact O-N 3.47Å; V73-E75 VanDerWaalsContact C-N 3.26Å; V73-E75 PolarHBondContact O-N 3.35Å; E75-Q79 WeakPolarHBondContact O-CG 3.33Å; E75-Q79 PolarHBondContact O-NE2 3.03Å; E75-W165 HydrophobicContact CB-CH2 3.46Å; E75-W165 VanDerWaalsContact CB-CH2 3.46Å; E75-W165 HydrophobicContact CB-CZ2 3.99Å; E75-W165 HydrophobicContact CB-CZ3 4.44Å |
| 76 | L | 87.8 | Confident | 82.3 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.7 | -47.3 | 171 | 175.5 | 55.5 | 0 | 0 | 0 | 110.5 | V73 A74 D78 Q79 V114 L116 L161 W165 | V73-L76 WeakPolarHBondContact O-CB 3.45Å; V73-L76 PolarHBondContact O-N 2.89Å; A74-L76 VanDerWaalsContact C-N 3.27Å; A74-L76 PolarHBondContact O-N 3.48Å; L76-D78 PolarHBondContact O-N 2.91Å; L76-Q79 HydrophobicContact CD1-CG 4.3Å; L76-Q79 VanDerWaalsContact O-CB 3.31Å; L76-Q79 WeakPolarHBondContact O-CB 3.19Å; L76-Q79 VanDerWaalsContact O-CG 3.22Å; L76-Q79 WeakPolarHBondContact O-CG 3.45Å; L76-Q79 PolarHBondContact O-N 3.19Å; L76-Q79 VanDerWaalsContact O-N 3.1Å; L76-V114 HydrophobicContact CD2-CG1 3.89Å; L76-L116 HydrophobicContact CD1-CB 4.46Å; L76-L116 VanDerWaalsContact O-CD2 3.3Å; L76-L116 WeakPolarHBondContact O-CD2 3.42Å; L76-L161 HydrophobicContact CD1-CD1 3.6Å; L76-W165 HydrophobicContact CB-CD2 3.96Å; L76-W165 HydrophobicContact CB-CE3 3.6Å; L76-W165 HydrophobicContact CB-CH2 4.19Å; L76-W165 HydrophobicContact CB-CZ2 4.45Å; L76-W165 HydrophobicContact CB-CZ3 3.71Å; L76-W165 HydrophobicContact CD1-CB 4.14Å; L76-W165 HydrophobicContact CD1-CD2 3.91Å; L76-W165 HydrophobicContact CD1-CE3 4.32Å; L76-W165 HydrophobicContact CD1-CG 3.81Å; L76-W165 HydrophobicContact CD2-CB 4.48Å; L76-W165 HydrophobicContact CD2-CE3 4.2Å; L76-W165 HydrophobicContact CG-CD2 4.34Å; L76-W165 HydrophobicContact CG-CE3 4.24Å |
| 77 | Y | 87.3 | Confident | 84.1 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.3 | -33.6 | -178.3 | -171.7 | -96.4 | 0 | 0 | 0 | 112.7 | I7 P8 R36 V73 A74 Q79 L116 | I7-Y77 HydrophobicContact CG1-CD1 4.28Å; I7-Y77 HydrophobicContact CG1-CG 4.16Å; I7-Y77 HydrophobicContact CG2-CD2 3.74Å; I7-Y77 HydrophobicContact CG2-CE2 4.37Å; I7-Y77 HydrophobicContact CG2-CG 3.97Å; P8-Y77 HydrophobicContact CG-CE2 4.13Å; R36-Y77 VanDerWaalsContact NH2-CD1 3.27Å; V73-Y77 PolarHBondContact O-N 3.07Å; A74-Y77 PolarHBondContact O-N 2.74Å; A74-Y77 VanDerWaalsContact O-N 3.13Å; Y77-Q79 VanDerWaalsContact C-N 3.28Å; Y77-Q79 PolarHBondContact O-N 3Å; Y77-L116 HydrophobicContact CD2-CD1 4.21Å |
| 78 | D | 88.3 | Confident | 85.6 | Confident | 97 Ų | 97 | 54.7 Ų | 54.7 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 2.3 | -178.6 | -61.3 | -16.4 | 0 | 0 | 0 | 112.9 | R36 A74 L76 N80 | R36-D78 IonicContact CZ-OD1 2.68Å; R36-D78 IonicContact CZ-OD2 3.5Å; R36-D78 IonicContact NH1-OD1 3.88Å; R36-D78 PolarHBondContact NH1-OD1 3.33Å; R36-D78 IonicContact NH1-OD2 2.72Å; R36-D78 PolarHBondContact NH1-OD2 3.23Å; R36-D78 IonicContact NH2-OD1 3.67Å; R36-D78 PolarHBondContact NH2-OD1 3.01Å; R36-D78 IonicContact NH2-OD2 2.89Å; A74-D78 WeakPolarHBondContact O-CB 3.31Å; A74-D78 PolarHBondContact O-N 3.33Å; L76-D78 PolarHBondContact O-N 2.91Å; D78-N80 PolarHBondContact O-N 3.16Å |
| 79 | Q | 89.5 | Confident | 86.9 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | trans | -62.6 | 124.7 | 175.3 | -67.2 | -64.7 | -52.2 | 0 | 0 | 111.1 | E75 L76 Y77 L81 L116 L161 | E75-Q79 WeakPolarHBondContact O-CG 3.33Å; E75-Q79 PolarHBondContact O-NE2 3.03Å; L76-Q79 HydrophobicContact CD1-CG 4.3Å; L76-Q79 VanDerWaalsContact O-CB 3.31Å; L76-Q79 WeakPolarHBondContact O-CB 3.19Å; L76-Q79 VanDerWaalsContact O-CG 3.22Å; L76-Q79 WeakPolarHBondContact O-CG 3.45Å; L76-Q79 PolarHBondContact O-N 3.19Å; L76-Q79 VanDerWaalsContact O-N 3.1Å; Y77-Q79 VanDerWaalsContact C-N 3.28Å; Y77-Q79 PolarHBondContact O-N 3Å; Q79-L81 PolarHBondContact O-N 3.27Å; Q79-L116 HydrophobicContact CB-CD2 3.78Å; Q79-L116 WeakPolarHBondContact O-CD2 3.16Å; Q79-L161 HydrophobicContact CB-CD2 4.22Å; Q79-L161 HydrophobicContact CG-CD2 4.26Å | ||
| 80 | N | 90.9 | Very high | 88 | Confident | 121 Ų | 121 | 48.3 Ų | 48.3 | 65% | 0.647 | 26% | 0.258 | S | S | * | . | trans | -72.5 | 113.5 | 176.7 | -175.5 | -11.7 | 0 | 0 | 0 | 110.8 | D78 G82 K159 | D78-N80 PolarHBondContact O-N 3.16Å; N80-G82 VanDerWaalsContact C-N 3.34Å; N80-G82 PolarHBondContact OD1-N 3.46Å; N80-K159 WeakPolarHBondContact O-CD 3.36Å; N80-K159 PolarHBondContact O-NZ 2.99Å | ||
| 81 | L | 93.1 | Very high | 89.1 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | trans | -79.1 | -13.7 | 177.2 | -64.6 | -176.1 | 0 | 0 | 0 | 113.8 | Q79 D83 H84 G87 L116 D118 K159 | Q79-L81 PolarHBondContact O-N 3.27Å; L81-D83 PolarHBondContact O-N 3.08Å; L81-H84 WeakPolarHBondContact O-CB 3.47Å; L81-H84 PolarHBondContact O-N 2.92Å; L81-H84 PolarHBondContact O-ND1 3.27Å; L81-G87 VanDerWaalsContact CD2-N 3.33Å; L81-L116 HydrophobicContact CD1-CD2 4.23Å; L81-L116 HydrophobicContact CD1-CG 4.11Å; L81-L116 HydrophobicContact CD2-CD2 3.89Å; L81-L116 HydrophobicContact CD2-CG 4.39Å; L81-L116 HydrophobicContact CG-CD2 3.98Å; L81-L116 HydrophobicContact CG-CG 4.4Å; L81-D118 HydrophobicContact CD1-CB 4.18Å; L81-K159 HydrophobicContact CD2-CB 4.36Å | ||
| 82 | G | 92.2 | Very high | 89.7 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 49% | 0.485 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | -128.4 | -170 | 0 | 0 | 0 | 0 | 0 | 110.3 | N80 | N80-G82 VanDerWaalsContact C-N 3.34Å; N80-G82 PolarHBondContact OD1-N 3.46Å |
| 83 | D | 92.4 | Very high | 90 | Very high | 140 Ų | 140 | 39.8 Ų | 39.8 | 75% | 0.749 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -2.1 | 178 | -64.3 | -45.5 | 0 | 0 | 0 | 113.7 | L81 Q121 | L81-D83 PolarHBondContact O-N 3.08Å; D83-Q121 PolarHBondContact O-NE2 3.09Å |
| 84 | H | 97.1 | Very high | 90.3 | Very high | 71 Ų | 71 | 41.3 Ų | 41.3 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | trans | -72.9 | 149.7 | -177.8 | -54.7 | 86.8 | 0 | 0 | 0 | 111.5 | L81 W158 K159 | L81-H84 WeakPolarHBondContact O-CB 3.47Å; L81-H84 PolarHBondContact O-N 2.92Å; L81-H84 PolarHBondContact O-ND1 3.27Å; H84-W158 VanDerWaalsContact CD2-C 3.41Å; H84-W158 PolarHBondContact CD2-O 3.08Å; H84-K159 HydrophobicContact CB-CB 4.13Å | ||
| 85 | I | 97.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -76.2 | -38.6 | -177.6 | -57.7 | 175.6 | 0 | 0 | 0 | 110.7 | D118 Q121 W122 N125 V127 L154 N157 | I85-D118 PolarHBondContact O-N 3.12Å; I85-Q121 HydrophobicContact CB-CB 4.44Å; I85-Q121 HydrophobicContact CG1-CB 4.19Å; I85-Q121 HydrophobicContact CG2-CB 4.36Å; I85-W122 HydrophobicContact CG2-CB 4.26Å; I85-W122 HydrophobicContact CG2-CE3 4.05Å; I85-N125 HydrophobicContact CD1-CB 3.83Å; I85-V127 HydrophobicContact CD1-CG2 4.15Å; I85-V127 HydrophobicContact CG2-CG2 4.12Å; I85-L154 HydrophobicContact CB-CD2 4.11Å; I85-L154 HydrophobicContact CD1-CD2 3.78Å; I85-L154 HydrophobicContact CG2-CD2 4.04Å; I85-N157 HydrophobicContact CD1-CB 3.96Å; I85-N157 HydrophobicContact CG1-CB 4.19Å; I85-N157 PolarHBondContact N-O 3.35Å |
| 86 | I | 97.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 161.3 | 178.4 | 69.5 | 168.1 | 0 | 0 | 0 | 111.8 | A88 F110 M115 L116 V117 W122 L154 W158 K159 | I86-A88 HydrophobicContact CD1-CB 4.27Å; I86-F110 HydrophobicContact CD1-CD2 4.34Å; I86-F110 HydrophobicContact CD1-CE1 4.05Å; I86-F110 HydrophobicContact CD1-CE2 3.76Å; I86-F110 HydrophobicContact CD1-CZ 3.6Å; I86-M115 HydrophobicContact CD1-CG 4.3Å; I86-M115 HydrophobicContact CD1-SD 3.66Å; I86-L116 CarbonylContact C-O 3.5Å; I86-L116 WeakPolarHBondContact CA-O 3.5Å; I86-L116 WeakPolarHBondContact CB-O 3.49Å; I86-V117 HydrophobicContact CG2-CB 4.38Å; I86-V117 HydrophobicContact CG2-CG1 4.23Å; I86-V117 HydrophobicContact CG2-CG2 3.97Å; I86-W122 HydrophobicContact CG2-CE3 3.84Å; I86-W122 HydrophobicContact CG2-CZ3 3.69Å; I86-L154 HydrophobicContact CD1-CD1 3.69Å; I86-L154 HydrophobicContact CG1-CD1 4.2Å; I86-L154 HydrophobicContact CG2-CD1 4.25Å; I86-W158 HydrophobicContact CD1-CB 4.08Å; I86-W158 HydrophobicContact CG1-CB 3.46Å; I86-W158 VanDerWaalsContact CG1-CB 3.46Å; I86-W158 CarbonylContact O-C 3.52Å; I86-W158 VanDerWaalsContact O-CA 3.27Å; I86-W158 WeakPolarHBondContact O-CA 3.23Å; I86-K159 PolarHBondContact O-N 3.48Å |
| 87 | G | 96.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L81 M115 L116 K159 L161 | L81-G87 VanDerWaalsContact CD2-N 3.33Å; G87-M115 CarbonylContact O-C 3.55Å; G87-M115 WeakPolarHBondContact O-CA 3.43Å; G87-L116 PolarHBondContact N-O 2.81Å; G87-L116 PolarHBondContact O-N 2.71Å; G87-K159 VanDerWaalsContact CA-O 3.27Å; G87-K159 WeakPolarHBondContact CA-O 3.45Å; G87-L161 WeakPolarHBondContact O-CD1 3.28Å |
| 88 | A | 96.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | -178.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I86 F110 M115 W158 K159 L161 | I86-A88 HydrophobicContact CD1-CB 4.27Å; A88-F110 HydrophobicContact CB-CB 3.8Å; A88-F110 HydrophobicContact CB-CD2 3.67Å; A88-F110 HydrophobicContact CB-CE2 4.48Å; A88-F110 HydrophobicContact CB-CG 3.84Å; A88-M115 HydrophobicContact CB-CG 4.25Å; A88-W158 HydrophobicContact CB-CE3 3.84Å; A88-W158 HydrophobicContact CB-CZ3 4.07Å; A88-W158 VanDerWaalsContact O-CZ3 3.31Å; A88-W158 WeakPolarHBondContact O-CZ3 3.41Å; A88-K159 PolarHBondContact N-O 2.69Å; A88-K159 VanDerWaalsContact N-O 3.08Å; A88-L161 VanDerWaalsContact O-CB 3.27Å; A88-L161 WeakPolarHBondContact O-CB 3.39Å; A88-L161 PolarHBondContact O-N 3.03Å |
| 89 | V | 92.5 | Very high | 90.9 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 143.7 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | D91 F110 N111 L161 W165 N166 Y183 | V89-D91 PolarHBondContact O-N 3.23Å; V89-F110 CarbonylContact O-C 3.41Å; V89-F110 WeakPolarHBondContact O-CA 3.37Å; V89-F110 WeakPolarHBondContact O-CB 3.42Å; V89-N111 PolarHBondContact O-N 2.99Å; V89-L161 HydrophobicContact CG2-CB 4.17Å; V89-W165 HydrophobicContact CG2-CB 4.21Å; V89-N166 HydrophobicContact CB-CB 3.76Å; V89-N166 HydrophobicContact CG1-CB 4.3Å; V89-N166 HydrophobicContact CG2-CB 3.62Å; V89-Y183 WeakPolarHBondContact CG1-OH 3.29Å |
| 90 | I | 91.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 135.8 | 177.7 | -60.8 | 171.6 | 0 | 0 | 0 | 109.9 | P92 A95 Y108 W158 Q160 Q168 P179 Y183 | I90-P92 VanDerWaalsContact O-CD 3.28Å; I90-P92 WeakPolarHBondContact O-CD 3.44Å; I90-A95 HydrophobicContact CG2-CB 4.02Å; I90-Y108 HydrophobicContact CD1-CD2 3.56Å; I90-Y108 HydrophobicContact CD1-CE2 4.22Å; I90-Y108 HydrophobicContact CD1-CG 3.79Å; I90-Y108 HydrophobicContact CG1-CD2 4.4Å; I90-Y108 HydrophobicContact CG1-CG 4.28Å; I90-Y108 HydrophobicContact CG2-CG 4.43Å; I90-W158 HydrophobicContact CG1-CH2 3.81Å; I90-Q160 HydrophobicContact CD1-CG 4.19Å; I90-Q160 HydrophobicContact CG1-CG 4.14Å; I90-Q168 PolarHBondContact O-NE2 3.4Å; I90-P179 HydrophobicContact CD1-CG 3.96Å; I90-P179 HydrophobicContact CG2-CG 3.99Å; I90-Y183 HydrophobicContact CB-CE1 4.1Å; I90-Y183 HydrophobicContact CB-CE2 4.27Å; I90-Y183 HydrophobicContact CD1-CD2 4Å; I90-Y183 HydrophobicContact CD1-CE2 3.75Å; I90-Y183 HydrophobicContact CG1-CE2 4.11Å; I90-Y183 PolarHBondContact N-OH 3.09Å |
| 91 | D | 90.2 | Very high | 91.2 | Very high | 16 Ų | 16 | 35.5 Ų | 35.5 | 9% | 0.086 | 20% | 0.203 | C | C | . | . | trans | -82 | 105.6 | 164.2 | -170 | -46.9 | 0 | 0 | 0 | 108.5 | V89 G93 Q94 A95 Y109 N111 Q147 | V89-D91 PolarHBondContact O-N 3.23Å; D91-G93 VanDerWaalsContact C-N 3.25Å; D91-G93 PolarHBondContact O-N 3.06Å; D91-G93 WeakPolarHBondContact OD1-CA 3.44Å; D91-G93 PolarHBondContact OD1-N 2.82Å; D91-Q94 HydrophobicContact CB-CB 4.16Å; D91-Q94 CarbonylContact O-C 3.5Å; D91-Q94 PolarHBondContact O-N 3.38Å; D91-Q94 PolarHBondContact OD1-N 3.49Å; D91-A95 WeakPolarHBondContact O-CA 3.38Å; D91-A95 WeakPolarHBondContact O-CB 3.37Å; D91-A95 PolarHBondContact O-N 3.44Å; D91-Y109 HydrophobicContact CB-CD1 4.02Å; D91-Y109 PolarHBondContact N-O 3.21Å; D91-N111 HydrophobicContact CB-CB 4.03Å; D91-N111 PolarHBondContact OD2-ND2 2.89Å; D91-Q147 PolarHBondContact OD2-NE2 2.95Å | ||
| 92 | P | 83.5 | Confident | 91.3 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 8% | 0.078 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -29.4 | -178.4 | 34.7 | -43.5 | 0 | 0 | 0 | 112.7 | I90 Q94 Q168 L171 H176 | I90-P92 VanDerWaalsContact O-CD 3.28Å; I90-P92 WeakPolarHBondContact O-CD 3.44Å; P92-Q94 VanDerWaalsContact C-N 3.29Å; P92-Q168 VanDerWaalsContact CD-OE1 3.28Å; P92-L171 HydrophobicContact CB-CD1 4.03Å; P92-L171 HydrophobicContact CB-CD2 3.77Å; P92-L171 HydrophobicContact CB-CG 4Å; P92-L171 HydrophobicContact CG-CD1 3.39Å; P92-L171 HydrophobicContact CG-CD2 3.95Å; P92-L171 HydrophobicContact CG-CG 3.58Å; P92-H176 HydrophobicContact CB-CB 4.2Å; P92-H176 HydrophobicContact CG-CB 4.4Å |
| 93 | G | 83 | Confident | 91.3 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 26% | 0.258 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -26.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D91 H176 | D91-G93 VanDerWaalsContact C-N 3.25Å; D91-G93 PolarHBondContact O-N 3.06Å; D91-G93 WeakPolarHBondContact OD1-CA 3.44Å; D91-G93 PolarHBondContact OD1-N 2.82Å; G93-H176 WeakPolarHBondContact CA-CD2 3.23Å |
| 94 | Q | 86.9 | Confident | 91.3 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 25% | 0.252 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | 11.5 | -177.5 | -56.8 | -54.1 | -37.1 | 0 | 0 | 114 | D91 P92 K96 A97 Y109 F144 | D91-Q94 HydrophobicContact CB-CB 4.16Å; D91-Q94 CarbonylContact O-C 3.5Å; D91-Q94 PolarHBondContact O-N 3.38Å; D91-Q94 PolarHBondContact OD1-N 3.49Å; P92-Q94 VanDerWaalsContact C-N 3.29Å; Q94-K96 PolarHBondContact O-N 3.06Å; Q94-A97 HydrophobicContact CB-CB 3.99Å; Q94-A97 WeakPolarHBondContact O-CB 3.37Å; Q94-A97 PolarHBondContact O-N 2.81Å; Q94-Y109 HydrophobicContact CB-CD1 3.75Å; Q94-Y109 HydrophobicContact CB-CE1 4.06Å; Q94-Y109 HydrophobicContact CB-CG 4.11Å; Q94-Y109 WeakPolarHBondContact O-CB 3.44Å; Q94-F144 HydrophobicContact CG-CD2 4.3Å; Q94-F144 HydrophobicContact CG-CE2 3.75Å; Q94-F144 HydrophobicContact CG-CZ 4.13Å; Q94-F144 VanDerWaalsContact NE2-CZ 3.31Å |
| 95 | A | 82.3 | Confident | 91 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -27.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I90 D91 Y108 Y109 P179 | I90-A95 HydrophobicContact CG2-CB 4.02Å; D91-A95 WeakPolarHBondContact O-CA 3.38Å; D91-A95 WeakPolarHBondContact O-CB 3.37Å; D91-A95 PolarHBondContact O-N 3.44Å; A95-Y108 HydrophobicContact CB-CD1 4.09Å; A95-Y108 WeakPolarHBondContact O-CD1 3.49Å; A95-Y109 PolarHBondContact O-N 2.74Å; A95-Y109 VanDerWaalsContact O-N 3.09Å; A95-P179 HydrophobicContact CB-CB 4.16Å |
| 96 | K | 84.3 | Confident | 90.5 | Very high | 179 Ų | 179 | 47 Ų | 47 | 78% | 0.778 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 25.5 | 178.8 | -59.6 | -174 | 179 | -177.3 | 0 | 114 | Q94 L98 | Q94-K96 PolarHBondContact O-N 3.06Å; K96-L98 VanDerWaalsContact C-N 3.34Å; K96-L98 PolarHBondContact O-N 3.45Å |
| 97 | A | 89 | Confident | 90.1 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -80.1 | -8.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q94 A99 R100 Y109 | Q94-A97 HydrophobicContact CB-CB 3.99Å; Q94-A97 WeakPolarHBondContact O-CB 3.37Å; Q94-A97 PolarHBondContact O-N 2.81Å; A97-A99 PolarHBondContact O-N 3.13Å; A97-R100 VanDerWaalsContact O-CB 3.28Å; A97-R100 WeakPolarHBondContact O-CB 3.47Å; A97-R100 PolarHBondContact O-N 3.28Å; A97-Y109 HydrophobicContact CB-CD2 3.67Å; A97-Y109 HydrophobicContact CB-CE2 4.07Å; A97-Y109 HydrophobicContact CB-CG 4.16Å |
| 98 | L | 91.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -55.5 | -36.3 | 178.6 | -70.1 | -177.2 | 0 | 0 | 0 | 113.2 | K96 R100 L101 E102 V103 D107 Y109 N151 H155 | K96-L98 VanDerWaalsContact C-N 3.34Å; K96-L98 PolarHBondContact O-N 3.45Å; L98-R100 PolarHBondContact O-N 3.25Å; L98-L101 CarbonylContact O-C 3.58Å; L98-L101 WeakPolarHBondContact O-CA 3.36Å; L98-L101 WeakPolarHBondContact O-CB 3.18Å; L98-L101 PolarHBondContact O-N 3.09Å; L98-E102 PolarHBondContact O-N 2.87Å; L98-V103 HydrophobicContact CB-CB 4.19Å; L98-V103 HydrophobicContact CB-CG1 4.38Å; L98-V103 HydrophobicContact CD1-CG1 4.44Å; L98-V103 PolarHBondContact O-N 3.2Å; L98-D107 HydrophobicContact CD1-CB 4.02Å; L98-D107 WeakPolarHBondContact CD1-O 3.16Å; L98-Y109 HydrophobicContact CD2-CD2 4.24Å; L98-N151 HydrophobicContact CD2-CB 3.97Å; L98-H155 HydrophobicContact CD1-CB 4.17Å |
| 99 | A | 90.3 | Very high | 89.8 | Confident | 79 Ų | 79 | 51.8 Ų | 51.8 | 65% | 0.653 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -60.4 | -30.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A97 L101 E102 | A97-A99 PolarHBondContact O-N 3.13Å; A99-L101 PolarHBondContact O-N 2.84Å; A99-E102 PolarHBondContact O-N 2.76Å |
| 100 | R | 93.6 | Very high | 89.9 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 28% | 0.279 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -66 | -29.5 | 174.5 | 174.4 | 176.9 | 56.5 | 91.5 | -2.3 | 111.6 | A97 L98 E102 L141 V143 D148 | A97-R100 VanDerWaalsContact O-CB 3.28Å; A97-R100 WeakPolarHBondContact O-CB 3.47Å; A97-R100 PolarHBondContact O-N 3.28Å; L98-R100 PolarHBondContact O-N 3.25Å; R100-E102 PolarHBondContact O-N 3.4Å; R100-L141 PolarHBondContact NH1-O 3.3Å; R100-V143 VanDerWaalsContact NH1-CG2 3.29Å; R100-D148 IonicContact CZ-OD1 3.63Å; R100-D148 IonicContact CZ-OD2 2.73Å; R100-D148 IonicContact NH1-OD1 2.67Å; R100-D148 IonicContact NH1-OD2 3.19Å; R100-D148 PolarHBondContact NH1-OD2 2.9Å; R100-D148 VanDerWaalsContact NH2-CG 3.29Å; R100-D148 IonicContact NH2-OD1 2.68Å; R100-D148 PolarHBondContact NH2-OD1 2.8Å; R100-D148 IonicContact NH2-OD2 3.58Å; R100-D148 PolarHBondContact NH2-OD2 3.28Å |
| 101 | L | 94.3 | Very high | 90 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -90.1 | 12.7 | -178.8 | -56.4 | 177 | 0 | 0 | 0 | 112.4 | L98 A99 V103 Y109 F134 L141 D148 N151 A152 | L98-L101 CarbonylContact O-C 3.58Å; L98-L101 WeakPolarHBondContact O-CA 3.36Å; L98-L101 WeakPolarHBondContact O-CB 3.18Å; L98-L101 PolarHBondContact O-N 3.09Å; A99-L101 PolarHBondContact O-N 2.84Å; L101-V103 HydrophobicContact CB-CG2 4.28Å; L101-V103 PolarHBondContact O-N 2.86Å; L101-Y109 HydrophobicContact CD1-CE2 3.96Å; L101-F134 HydrophobicContact CB-CZ 4.31Å; L101-L141 HydrophobicContact CD2-CB 4.27Å; L101-D148 HydrophobicContact CD1-CB 4.03Å; L101-D148 WeakPolarHBondContact CD1-O 3.33Å; L101-D148 HydrophobicContact CD2-CB 3.87Å; L101-N151 HydrophobicContact CD1-CB 4.44Å; L101-A152 HydrophobicContact CB-CB 4.33Å; L101-A152 HydrophobicContact CD1-CB 4.19Å |
| 102 | E | 93.7 | Very high | 90.1 | Very high | 125 Ų | 125 | 53 Ų | 53 | 58% | 0.584 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 26 | -176.4 | -59.5 | 178.7 | 164.7 | 0 | 0 | 113.5 | L98 A99 R100 K138 L141 | L98-E102 PolarHBondContact O-N 2.87Å; A99-E102 PolarHBondContact O-N 2.76Å; R100-E102 PolarHBondContact O-N 3.4Å; E102-K138 IonicContact OE2-NZ 3.13Å; E102-K138 PolarHBondContact OE2-NZ 3.13Å; E102-L141 HydrophobicContact CB-CD1 4.35Å; E102-L141 HydrophobicContact CG-CD1 3.77Å |
| 103 | V | 93.6 | Very high | 90.3 | Very high | 18 Ų | 18 | 55 Ų | 55 | 11% | 0.109 | 30% | 0.3 | C | S | . | . | trans | -94.5 | 118.1 | 175.5 | 175.5 | 0 | 0 | 0 | 0 | 109.7 | L98 L101 S105 A152 H155 | L98-V103 HydrophobicContact CB-CB 4.19Å; L98-V103 HydrophobicContact CB-CG1 4.38Å; L98-V103 HydrophobicContact CD1-CG1 4.44Å; L98-V103 PolarHBondContact O-N 3.2Å; L101-V103 HydrophobicContact CB-CG2 4.28Å; L101-V103 PolarHBondContact O-N 2.86Å; V103-S105 PolarHBondContact O-N 3.25Å; V103-A152 HydrophobicContact CG2-CB 4.15Å; V103-H155 HydrophobicContact CG1-CB 4.11Å; V103-H155 VanDerWaalsContact CG1-CD2 3.41Å; V103-H155 WeakPolarHBondContact CG1-CD2 3.26Å | ||
| 104 | D | 91.1 | Very high | 90.6 | Very high | 163 Ų | 163 | 55.3 Ų | 55.3 | 87% | 0.872 | 30% | 0.297 | S | S | * | . | trans | -88.3 | 79.9 | 173.9 | -171.1 | 19 | 0 | 0 | 0 | 110.1 | ||||
| 105 | S | 91.5 | Very high | 91 | Very high | 25 Ų | 25 | 55.5 Ų | 55.5 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | trans | -139.2 | 153.4 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | V103 D107 D156 | V103-S105 PolarHBondContact O-N 3.25Å; S105-D107 VanDerWaalsContact C-N 3.3Å; S105-D107 WeakPolarHBondContact OG-CB 3.44Å; S105-D107 PolarHBondContact OG-N 2.92Å; S105-D107 VanDerWaalsContact OG-N 3.14Å; S105-D156 WeakPolarHBondContact CB-OD2 3.28Å; S105-D156 VanDerWaalsContact OG-CG 3.27Å; S105-D156 PolarHBondContact OG-OD1 3.03Å; S105-D156 PolarHBondContact OG-OD2 3.12Å | ||
| 106 | H | 86.5 | Confident | 91.6 | Very high | 189 Ų | 189 | 56 Ų | 56 | 88% | 0.875 | 30% | 0.299 | S | S | * | . | trans | -90.3 | 0.1 | 173 | -67.7 | 79.9 | 0 | 0 | 0 | 112.5 | ||||
| 107 | D | 89.9 | Confident | 92.2 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 20% | 0.198 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -65 | 159 | 179.4 | -161.2 | 5.9 | 0 | 0 | 0 | 112 | L98 S105 D156 W158 | L98-D107 HydrophobicContact CD1-CB 4.02Å; L98-D107 WeakPolarHBondContact CD1-O 3.16Å; S105-D107 VanDerWaalsContact C-N 3.3Å; S105-D107 WeakPolarHBondContact OG-CB 3.44Å; S105-D107 PolarHBondContact OG-N 2.92Å; S105-D107 VanDerWaalsContact OG-N 3.14Å; D107-D156 PolarHBondContact OD2-N 3.2Å; D107-W158 VanDerWaalsContact CG-NE1 3.29Å; D107-W158 PolarHBondContact OD1-NE1 2.79Å; D107-W158 PolarHBondContact OD2-NE1 3.5Å |
| 108 | Y | 92.5 | Very high | 92.5 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 25% | 0.247 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 149.7 | 175.4 | -69.7 | -65.1 | 0 | 0 | 0 | 111.2 | I90 A95 W158 P179 T180 | I90-Y108 HydrophobicContact CD1-CD2 3.56Å; I90-Y108 HydrophobicContact CD1-CE2 4.22Å; I90-Y108 HydrophobicContact CD1-CG 3.79Å; I90-Y108 HydrophobicContact CG1-CD2 4.4Å; I90-Y108 HydrophobicContact CG1-CG 4.28Å; I90-Y108 HydrophobicContact CG2-CG 4.43Å; A95-Y108 HydrophobicContact CB-CD1 4.09Å; A95-Y108 WeakPolarHBondContact O-CD1 3.49Å; Y108-W158 WeakPolarHBondContact O-CZ2 3.29Å; Y108-P179 HydrophobicContact CD1-CB 4.28Å; Y108-P179 HydrophobicContact CE1-CB 3.84Å; Y108-T180 HydrophobicContact CE2-CG2 4.41Å; Y108-T180 WeakPolarHBondContact OH-CG2 3.4Å |
| 109 | Y | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 125.5 | 170.2 | -168.3 | -73.2 | 0 | 0 | 0 | 109.8 | D91 Q94 A95 A97 L98 L101 Q147 D148 N151 | D91-Y109 HydrophobicContact CB-CD1 4.02Å; D91-Y109 PolarHBondContact N-O 3.21Å; Q94-Y109 HydrophobicContact CB-CD1 3.75Å; Q94-Y109 HydrophobicContact CB-CE1 4.06Å; Q94-Y109 HydrophobicContact CB-CG 4.11Å; Q94-Y109 WeakPolarHBondContact O-CB 3.44Å; A95-Y109 PolarHBondContact O-N 2.74Å; A95-Y109 VanDerWaalsContact O-N 3.09Å; A97-Y109 HydrophobicContact CB-CD2 3.67Å; A97-Y109 HydrophobicContact CB-CE2 4.07Å; A97-Y109 HydrophobicContact CB-CG 4.16Å; L98-Y109 HydrophobicContact CD2-CD2 4.24Å; L101-Y109 HydrophobicContact CD1-CE2 3.96Å; Y109-Q147 HydrophobicContact CE1-CG 3.64Å; Y109-Q147 VanDerWaalsContact CE1-NE2 3.31Å; Y109-Q147 VanDerWaalsContact OH-C 3.25Å; Y109-Q147 WeakPolarHBondContact OH-CG 3.41Å; Y109-Q147 PolarHBondContact OH-NE2 3.37Å; Y109-Q147 PolarHBondContact OH-O 3.08Å; Y109-D148 WeakPolarHBondContact CE2-OD1 3.18Å; Y109-D148 WeakPolarHBondContact OH-CA 3.44Å; Y109-D148 PolarHBondContact OH-N 3.01Å; Y109-D148 PolarHBondContact OH-OD1 2.79Å; Y109-N151 VanDerWaalsContact CA-OD1 3.22Å; Y109-N151 WeakPolarHBondContact CA-OD1 3.44Å; Y109-N151 HydrophobicContact CD2-CB 3.69Å; Y109-N151 WeakPolarHBondContact CE1-ND2 3.32Å; Y109-N151 HydrophobicContact CE2-CB 3.57Å; Y109-N151 HydrophobicContact CG-CB 4.29Å |
| 110 | F | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 153.9 | 178.6 | 67 | -97.3 | 0 | 0 | 0 | 112.8 | I86 A88 V89 M115 L150 N151 L154 W158 | I86-F110 HydrophobicContact CD1-CD2 4.34Å; I86-F110 HydrophobicContact CD1-CE1 4.05Å; I86-F110 HydrophobicContact CD1-CE2 3.76Å; I86-F110 HydrophobicContact CD1-CZ 3.6Å; A88-F110 HydrophobicContact CB-CB 3.8Å; A88-F110 HydrophobicContact CB-CD2 3.67Å; A88-F110 HydrophobicContact CB-CE2 4.48Å; A88-F110 HydrophobicContact CB-CG 3.84Å; V89-F110 CarbonylContact O-C 3.41Å; V89-F110 WeakPolarHBondContact O-CA 3.37Å; V89-F110 WeakPolarHBondContact O-CB 3.42Å; F110-M115 HydrophobicContact CE2-SD 3.9Å; F110-L150 HydrophobicContact CE2-CB 4.32Å; F110-L150 HydrophobicContact CZ-CB 3.93Å; F110-N151 WeakPolarHBondContact CD1-OD1 3.48Å; F110-N151 HydrophobicContact CE1-CB 4.38Å; F110-N151 WeakPolarHBondContact CE1-OD1 3.35Å; F110-N151 PolarHBondContact N-OD1 3.42Å; F110-N151 PolarHBondContact O-ND2 3.14Å; F110-L154 HydrophobicContact CE1-CB 4.14Å; F110-L154 HydrophobicContact CZ-CB 4.35Å; F110-L154 HydrophobicContact CZ-CD1 4.18Å; F110-W158 HydrophobicContact CB-CD2 4.16Å; F110-W158 HydrophobicContact CB-CE3 3.89Å; F110-W158 HydrophobicContact CB-CH2 3.73Å; F110-W158 HydrophobicContact CB-CZ2 4.01Å; F110-W158 HydrophobicContact CB-CZ3 3.65Å; F110-W158 AromaticContact CD1-CD2 3.75Å; F110-W158 HydrophobicContact CD1-CD2 3.75Å; F110-W158 AromaticContact CD1-CE2 3.89Å; F110-W158 HydrophobicContact CD1-CE3 4.21Å; F110-W158 AromaticContact CD1-CG 3.89Å; F110-W158 HydrophobicContact CD1-CG 3.89Å; F110-W158 HydrophobicContact CD1-CZ2 4.49Å; F110-W158 HydrophobicContact CE1-CG 4.27Å; F110-W158 HydrophobicContact CG-CD2 4.24Å; F110-W158 HydrophobicContact CG-CE3 4.24Å; F110-W158 HydrophobicContact CG-CZ3 4.48Å |
| 111 | N | 93.2 | Very high | 92.9 | Very high | 24 Ų | 24 | 55.9 Ų | 55.9 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126.1 | 170.8 | -173.8 | -84.5 | 0 | 0 | 0 | 109.9 | V89 D91 G113 Q147 N166 | V89-N111 PolarHBondContact O-N 2.99Å; D91-N111 HydrophobicContact CB-CB 4.03Å; D91-N111 PolarHBondContact OD2-ND2 2.89Å; N111-G113 VanDerWaalsContact C-N 3.31Å; N111-G113 PolarHBondContact O-N 2.92Å; N111-G113 WeakPolarHBondContact OD1-CA 3.26Å; N111-G113 PolarHBondContact OD1-N 3.32Å; N111-Q147 VanDerWaalsContact CA-OE1 3.27Å; N111-Q147 PolarHBondContact ND2-OE1 2.98Å; N111-N166 PolarHBondContact OD1-ND2 3.22Å |
| 112 | S | 92.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 58 Ų | 58 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -0.5 | -177.2 | 59.8 | 0 | 0 | 0 | 0 | 113.9 | V114 Q147 | S112-V114 PolarHBondContact O-N 3.38Å; S112-Q147 VanDerWaalsContact OG-CB 3.3Å; S112-Q147 WeakPolarHBondContact OG-CB 3.42Å; S112-Q147 WeakPolarHBondContact OG-CG 3.42Å; S112-Q147 PolarHBondContact OG-OE1 3.47Å |
| 113 | G | 87.7 | Confident | 93.2 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 56% | 0.557 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.5 | -28.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | N111 | N111-G113 VanDerWaalsContact C-N 3.31Å; N111-G113 PolarHBondContact O-N 2.92Å; N111-G113 WeakPolarHBondContact OD1-CA 3.26Å; N111-G113 PolarHBondContact OD1-N 3.32Å |
| 114 | V | 90.4 | Very high | 93.4 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 125.4 | 170.2 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | L76 S112 N166 | L76-V114 HydrophobicContact CD2-CG1 3.89Å; S112-V114 PolarHBondContact O-N 3.38Å; V114-N166 HydrophobicContact CB-CB 3.96Å; V114-N166 HydrophobicContact CG2-CB 4.1Å; V114-N166 PolarHBondContact N-ND2 2.66Å |
| 115 | M | 95.1 | Very high | 93.6 | Very high | 57 Ų | 57 | 59.8 Ų | 59.8 | 28% | 0.281 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 137.6 | 176.1 | -61.2 | -174.9 | -67.2 | 0 | 0 | 110.7 | I86 G87 A88 F110 V117 L150 | I86-M115 HydrophobicContact CD1-CG 4.3Å; I86-M115 HydrophobicContact CD1-SD 3.66Å; G87-M115 CarbonylContact O-C 3.55Å; G87-M115 WeakPolarHBondContact O-CA 3.43Å; A88-M115 HydrophobicContact CB-CG 4.25Å; F110-M115 HydrophobicContact CE2-SD 3.9Å; M115-V117 HydrophobicContact CB-CG2 4.06Å; M115-L150 HydrophobicContact CE-CD1 3.98Å; M115-L150 HydrophobicContact SD-CD1 4.28Å |
| 116 | L | 95.5 | Very high | 93.9 | Very high | 21 Ų | 21 | 62.9 Ų | 62.9 | 11% | 0.11 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.1 | 161.1 | -176.8 | 64.9 | 0 | 0 | 0 | 108.3 | L76 Y77 Q79 L81 I86 G87 L161 | L76-L116 HydrophobicContact CD1-CB 4.46Å; L76-L116 VanDerWaalsContact O-CD2 3.3Å; L76-L116 WeakPolarHBondContact O-CD2 3.42Å; Y77-L116 HydrophobicContact CD2-CD1 4.21Å; Q79-L116 HydrophobicContact CB-CD2 3.78Å; Q79-L116 WeakPolarHBondContact O-CD2 3.16Å; L81-L116 HydrophobicContact CD1-CD2 4.23Å; L81-L116 HydrophobicContact CD1-CG 4.11Å; L81-L116 HydrophobicContact CD2-CD2 3.89Å; L81-L116 HydrophobicContact CD2-CG 4.39Å; L81-L116 HydrophobicContact CG-CD2 3.98Å; L81-L116 HydrophobicContact CG-CG 4.4Å; I86-L116 CarbonylContact C-O 3.5Å; I86-L116 WeakPolarHBondContact CA-O 3.5Å; I86-L116 WeakPolarHBondContact CB-O 3.49Å; G87-L116 PolarHBondContact N-O 2.81Å; G87-L116 PolarHBondContact O-N 2.71Å; L116-L161 HydrophobicContact CB-CD1 4.43Å |
| 117 | V | 96.3 | Very high | 94.4 | Very high | 47 Ų | 47 | 54 Ų | 54 | 29% | 0.285 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123 | -170.6 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | I86 M115 L119 W122 | I86-V117 HydrophobicContact CG2-CB 4.38Å; I86-V117 HydrophobicContact CG2-CG1 4.23Å; I86-V117 HydrophobicContact CG2-CG2 3.97Å; M115-V117 HydrophobicContact CB-CG2 4.06Å; V117-L119 HydrophobicContact CG1-CD2 4.09Å; V117-L119 PolarHBondContact O-N 2.94Å; V117-W122 HydrophobicContact CG1-CB 4.12Å; V117-W122 HydrophobicContact CG1-CD2 4Å; V117-W122 HydrophobicContact CG1-CE3 3.5Å; V117-W122 VanDerWaalsContact CG1-CE3 3.5Å; V117-W122 HydrophobicContact CG1-CG 4.29Å; V117-W122 HydrophobicContact CG1-CZ3 4.19Å; V117-W122 HydrophobicContact CG2-CZ3 4.49Å |
| 118 | D | 95.6 | Very high | 94.7 | Very high | 54 Ų | 54 | 55.2 Ų | 55.2 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | trans | -77.6 | 105.2 | 163.5 | -176.9 | -38.4 | 0 | 0 | 0 | 108.7 | L81 I85 D120 Q121 W122 | L81-D118 HydrophobicContact CD1-CB 4.18Å; I85-D118 PolarHBondContact O-N 3.12Å; D118-D120 VanDerWaalsContact C-N 3.29Å; D118-D120 PolarHBondContact O-N 2.81Å; D118-D120 WeakPolarHBondContact OD1-CA 3.35Å; D118-D120 WeakPolarHBondContact OD1-CB 3.11Å; D118-D120 PolarHBondContact OD1-N 2.95Å; D118-Q121 HydrophobicContact CB-CB 4.02Å; D118-Q121 HydrophobicContact CB-CG 4.22Å; D118-Q121 PolarHBondContact O-N 2.84Å; D118-Q121 PolarHBondContact OD1-N 3.35Å; D118-W122 VanDerWaalsContact O-CB 3.28Å; D118-W122 WeakPolarHBondContact O-CB 3.38Å; D118-W122 PolarHBondContact O-N 3.13Å | ||
| 119 | L | 93.6 | Very high | 94.9 | Very high | 100 Ų | 100 | 57.8 Ų | 57.8 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.8 | -28.4 | -176.2 | -66 | 178.9 | 0 | 0 | 0 | 113.5 | V117 R123 | V117-L119 HydrophobicContact CG1-CD2 4.09Å; V117-L119 PolarHBondContact O-N 2.94Å; L119-R123 WeakPolarHBondContact O-CB 3.41Å; L119-R123 WeakPolarHBondContact O-CG 3.48Å; L119-R123 PolarHBondContact O-N 2.92Å; L119-R123 VanDerWaalsContact O-N 3.12Å; L119-R123 PolarHBondContact O-NE 3.09Å; L119-R123 PolarHBondContact O-NH2 3.13Å |
| 120 | D | 94.4 | Very high | 95.1 | Very high | 110 Ų | 110 | 62.1 Ų | 62.1 | 59% | 0.588 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -74.6 | -44.5 | 178.3 | -77.2 | -26.5 | 0 | 0 | 0 | 110.4 | D118 R123 K124 | D118-D120 VanDerWaalsContact C-N 3.29Å; D118-D120 PolarHBondContact O-N 2.81Å; D118-D120 WeakPolarHBondContact OD1-CA 3.35Å; D118-D120 WeakPolarHBondContact OD1-CB 3.11Å; D118-D120 PolarHBondContact OD1-N 2.95Å; D120-R123 PolarHBondContact O-N 3.18Å; D120-R123 IonicContact OD1-CZ 3.66Å; D120-R123 IonicContact OD1-NE 3.1Å; D120-R123 IonicContact OD1-NH2 3.87Å; D120-R123 PolarHBondContact OD1-NH2 3.02Å; D120-K124 WeakPolarHBondContact O-CB 3.33Å; D120-K124 PolarHBondContact O-N 3.04Å |
| 121 | Q | 96.3 | Very high | 95.1 | Very high | 34 Ų | 34 | 62.8 Ų | 62.8 | 16% | 0.159 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 173.5 | -68.2 | -80 | 74.3 | 0 | 0 | 111.4 | D83 I85 D118 R123 K124 N125 | D83-Q121 PolarHBondContact O-NE2 3.09Å; I85-Q121 HydrophobicContact CB-CB 4.44Å; I85-Q121 HydrophobicContact CG1-CB 4.19Å; I85-Q121 HydrophobicContact CG2-CB 4.36Å; D118-Q121 HydrophobicContact CB-CB 4.02Å; D118-Q121 HydrophobicContact CB-CG 4.22Å; D118-Q121 PolarHBondContact O-N 2.84Å; D118-Q121 PolarHBondContact OD1-N 3.35Å; Q121-R123 PolarHBondContact O-N 2.99Å; Q121-K124 PolarHBondContact O-N 3.33Å; Q121-N125 WeakPolarHBondContact O-CB 3.08Å; Q121-N125 PolarHBondContact O-N 3.44Å; Q121-N125 PolarHBondContact O-ND2 3.4Å |
| 122 | W | 96.9 | Very high | 95.2 | Very high | 45 Ų | 45 | 65.7 Ų | 65.7 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.7 | -48.7 | 176.2 | -171.7 | -76.8 | 0 | 0 | 0 | 111.6 | I85 I86 V117 D118 N126 V127 T128 L150 L154 | I85-W122 HydrophobicContact CG2-CB 4.26Å; I85-W122 HydrophobicContact CG2-CE3 4.05Å; I86-W122 HydrophobicContact CG2-CE3 3.84Å; I86-W122 HydrophobicContact CG2-CZ3 3.69Å; V117-W122 HydrophobicContact CG1-CB 4.12Å; V117-W122 HydrophobicContact CG1-CD2 4Å; V117-W122 HydrophobicContact CG1-CE3 3.5Å; V117-W122 VanDerWaalsContact CG1-CE3 3.5Å; V117-W122 HydrophobicContact CG1-CG 4.29Å; V117-W122 HydrophobicContact CG1-CZ3 4.19Å; V117-W122 HydrophobicContact CG2-CZ3 4.49Å; D118-W122 VanDerWaalsContact O-CB 3.28Å; D118-W122 WeakPolarHBondContact O-CB 3.38Å; D118-W122 PolarHBondContact O-N 3.13Å; W122-N126 PolarHBondContact O-N 2.71Å; W122-V127 HydrophobicContact CD2-CB 3.72Å; W122-V127 HydrophobicContact CD2-CG1 3.82Å; W122-V127 HydrophobicContact CD2-CG2 4.18Å; W122-V127 HydrophobicContact CE3-CB 4.21Å; W122-V127 HydrophobicContact CE3-CG1 3.92Å; W122-V127 HydrophobicContact CE3-CG2 4.43Å; W122-V127 HydrophobicContact CG-CB 4Å; W122-V127 HydrophobicContact CG-CG2 4.27Å; W122-V127 HydrophobicContact CH2-CG1 3.66Å; W122-V127 HydrophobicContact CZ2-CB 4.09Å; W122-V127 HydrophobicContact CZ2-CG1 3.5Å; W122-V127 HydrophobicContact CZ3-CG1 3.85Å; W122-V127 PolarHBondContact O-N 3.03Å; W122-T128 PolarHBondContact NE1-OG1 3.01Å; W122-L150 HydrophobicContact CH2-CD2 3.62Å; W122-L150 HydrophobicContact CZ2-CD2 4.29Å; W122-L150 HydrophobicContact CZ3-CD2 4.5Å; W122-L154 HydrophobicContact CH2-CD1 4.45Å; W122-L154 HydrophobicContact CZ3-CD1 3.98Å |
| 123 | R | 96.8 | Very high | 95.4 | Very high | 140 Ų | 140 | 69.2 Ų | 69.2 | 53% | 0.528 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.2 | -48.9 | 176.1 | -76.7 | -175.8 | -71.4 | -89.8 | 1.4 | 112 | L119 D120 Q121 N125 N126 | L119-R123 WeakPolarHBondContact O-CB 3.41Å; L119-R123 WeakPolarHBondContact O-CG 3.48Å; L119-R123 PolarHBondContact O-N 2.92Å; L119-R123 VanDerWaalsContact O-N 3.12Å; L119-R123 PolarHBondContact O-NE 3.09Å; L119-R123 PolarHBondContact O-NH2 3.13Å; D120-R123 PolarHBondContact O-N 3.18Å; D120-R123 IonicContact OD1-CZ 3.66Å; D120-R123 IonicContact OD1-NE 3.1Å; D120-R123 IonicContact OD1-NH2 3.87Å; D120-R123 PolarHBondContact OD1-NH2 3.02Å; Q121-R123 PolarHBondContact O-N 2.99Å; R123-N125 PolarHBondContact O-N 3.15Å; R123-N126 PolarHBondContact O-N 2.99Å; R123-N126 PolarHBondContact O-OD1 3.49Å |
| 124 | K | 96.6 | Very high | 95.8 | Very high | 155 Ų | 155 | 68 Ų | 68 | 67% | 0.674 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59 | -32.4 | -177.8 | 179.7 | -178.2 | 167.3 | -163.6 | 0 | 112.4 | D120 Q121 | D120-K124 WeakPolarHBondContact O-CB 3.33Å; D120-K124 PolarHBondContact O-N 3.04Å; Q121-K124 PolarHBondContact O-N 3.33Å |
| 125 | N | 96.8 | Very high | 95.9 | Very high | 50 Ų | 50 | 69.3 Ų | 69.3 | 27% | 0.267 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1.3 | -179.9 | -71.7 | -73.4 | 0 | 0 | 0 | 114.1 | I85 Q121 R123 V127 K130 | I85-N125 HydrophobicContact CD1-CB 3.83Å; Q121-N125 WeakPolarHBondContact O-CB 3.08Å; Q121-N125 PolarHBondContact O-N 3.44Å; Q121-N125 PolarHBondContact O-ND2 3.4Å; R123-N125 PolarHBondContact O-N 3.15Å; N125-V127 VanDerWaalsContact C-N 3.27Å; N125-V127 HydrophobicContact CB-CG2 3.96Å; N125-V127 PolarHBondContact O-N 3.25Å; N125-K130 VanDerWaalsContact O-CE 3.29Å; N125-K130 WeakPolarHBondContact O-CE 3.45Å; N125-K130 PolarHBondContact O-NZ 2.87Å |
| 126 | N | 97 | Very high | 95.8 | Very high | 89 Ų | 89 | 73.5 Ų | 73.5 | 48% | 0.476 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 45.2 | -176.7 | -54.5 | -52.9 | 0 | 0 | 0 | 112.3 | W122 R123 T128 E129 K130 | W122-N126 PolarHBondContact O-N 2.71Å; R123-N126 PolarHBondContact O-N 2.99Å; R123-N126 PolarHBondContact O-OD1 3.49Å; N126-T128 VanDerWaalsContact C-N 3.33Å; N126-T128 PolarHBondContact O-N 2.67Å; N126-E129 WeakPolarHBondContact CA-OE2 3.43Å; N126-E129 PolarHBondContact O-N 3.42Å; N126-K130 WeakPolarHBondContact O-CB 3.37Å; N126-K130 VanDerWaalsContact O-CG 3.31Å; N126-K130 WeakPolarHBondContact O-CG 3.5Å; N126-K130 PolarHBondContact O-N 2.89Å; N126-K130 VanDerWaalsContact O-N 3.09Å |
| 127 | V | 97.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 78.2 Ų | 78.2 | 1% | 0.012 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | -172.8 | 177 | 0 | 0 | 0 | 0 | 111 | I85 W122 N125 K130 T131 I153 L154 | I85-V127 HydrophobicContact CD1-CG2 4.15Å; I85-V127 HydrophobicContact CG2-CG2 4.12Å; W122-V127 HydrophobicContact CD2-CB 3.72Å; W122-V127 HydrophobicContact CD2-CG1 3.82Å; W122-V127 HydrophobicContact CD2-CG2 4.18Å; W122-V127 HydrophobicContact CE3-CB 4.21Å; W122-V127 HydrophobicContact CE3-CG1 3.92Å; W122-V127 HydrophobicContact CE3-CG2 4.43Å; W122-V127 HydrophobicContact CG-CB 4Å; W122-V127 HydrophobicContact CG-CG2 4.27Å; W122-V127 HydrophobicContact CH2-CG1 3.66Å; W122-V127 HydrophobicContact CZ2-CB 4.09Å; W122-V127 HydrophobicContact CZ2-CG1 3.5Å; W122-V127 HydrophobicContact CZ3-CG1 3.85Å; W122-V127 PolarHBondContact O-N 3.03Å; N125-V127 VanDerWaalsContact C-N 3.27Å; N125-V127 HydrophobicContact CB-CG2 3.96Å; N125-V127 PolarHBondContact O-N 3.25Å; V127-K130 PolarHBondContact O-N 2.69Å; V127-T131 WeakPolarHBondContact O-CB 3.38Å; V127-T131 PolarHBondContact O-N 3.21Å; V127-T131 PolarHBondContact O-OG1 3.27Å; V127-I153 HydrophobicContact CG1-CG2 4.28Å; V127-L154 HydrophobicContact CG1-CD1 4.22Å; V127-L154 HydrophobicContact CG1-CD2 3.88Å; V127-L154 HydrophobicContact CG1-CG 4.2Å; V127-L154 HydrophobicContact CG2-CD2 3.91Å |
| 128 | T | 95.6 | Very high | 95.7 | Very high | 64 Ų | 64 | 78.8 Ų | 78.8 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.4 | -52.6 | 179.1 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | W122 N126 K130 T131 I132 | W122-T128 PolarHBondContact NE1-OG1 3.01Å; N126-T128 VanDerWaalsContact C-N 3.33Å; N126-T128 PolarHBondContact O-N 2.67Å; T128-K130 PolarHBondContact O-N 3.12Å; T128-T131 PolarHBondContact O-N 3.11Å; T128-I132 HydrophobicContact CG2-CD1 4.01Å; T128-I132 WeakPolarHBondContact O-CG1 3.46Å; T128-I132 PolarHBondContact O-N 2.85Å |
| 129 | E | 96.8 | Very high | 95.4 | Very high | 117 Ų | 117 | 83.2 Ų | 83.2 | 55% | 0.547 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | -178.2 | -66.4 | 76.8 | -170.3 | 0 | 0 | 111.3 | N126 T131 I132 Q133 | N126-E129 WeakPolarHBondContact CA-OE2 3.43Å; N126-E129 PolarHBondContact O-N 3.42Å; E129-T131 VanDerWaalsContact C-N 3.34Å; E129-T131 PolarHBondContact O-N 3.37Å; E129-I132 PolarHBondContact O-N 3.19Å; E129-Q133 VanDerWaalsContact O-CB 3.31Å; E129-Q133 WeakPolarHBondContact O-CB 3.32Å; E129-Q133 PolarHBondContact O-N 3.12Å |
| 130 | K | 97.4 | Very high | 95.4 | Very high | 90 Ų | 90 | 85 Ų | 85 | 39% | 0.391 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 176.9 | -74.1 | 173.7 | 177.3 | 169.3 | 0 | 112.5 | N125 N126 V127 T128 Q133 F134 I153 | N125-K130 VanDerWaalsContact O-CE 3.29Å; N125-K130 WeakPolarHBondContact O-CE 3.45Å; N125-K130 PolarHBondContact O-NZ 2.87Å; N126-K130 WeakPolarHBondContact O-CB 3.37Å; N126-K130 VanDerWaalsContact O-CG 3.31Å; N126-K130 WeakPolarHBondContact O-CG 3.5Å; N126-K130 PolarHBondContact O-N 2.89Å; N126-K130 VanDerWaalsContact O-N 3.09Å; V127-K130 PolarHBondContact O-N 2.69Å; T128-K130 PolarHBondContact O-N 3.12Å; K130-Q133 PolarHBondContact O-N 2.88Å; K130-F134 WeakPolarHBondContact O-CB 3.3Å; K130-F134 PolarHBondContact O-N 3.32Å; K130-I153 HydrophobicContact CB-CD1 3.92Å; K130-I153 HydrophobicContact CB-CG1 4.09Å; K130-I153 HydrophobicContact CB-CG2 3.83Å; K130-I153 HydrophobicContact CD-CG2 4.17Å |
| 131 | T | 96.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 81.1 Ų | 81.1 | 9% | 0.086 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 179.5 | -55.7 | 0 | 0 | 0 | 0 | 110.4 | V127 T128 E129 F134 L135 A149 L150 | V127-T131 WeakPolarHBondContact O-CB 3.38Å; V127-T131 PolarHBondContact O-N 3.21Å; V127-T131 PolarHBondContact O-OG1 3.27Å; T128-T131 PolarHBondContact O-N 3.11Å; E129-T131 VanDerWaalsContact C-N 3.34Å; E129-T131 PolarHBondContact O-N 3.37Å; T131-F134 PolarHBondContact O-N 3.22Å; T131-L135 HydrophobicContact CG2-CD1 4.48Å; T131-L135 WeakPolarHBondContact O-CG 2.93Å; T131-L135 PolarHBondContact O-N 2.95Å; T131-A149 HydrophobicContact CG2-CB 3.59Å; T131-L150 HydrophobicContact CG2-CD2 3.98Å; T131-L150 HydrophobicContact CG2-CG 4.19Å |
| 132 | I | 94.4 | Very high | 95 | Very high | 86 Ų | 86 | 81.1 Ų | 81.1 | 44% | 0.441 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.7 | -47.8 | 175.4 | -66.8 | 169.6 | 0 | 0 | 0 | 110.4 | T128 E129 F134 L135 E136 | T128-I132 HydrophobicContact CG2-CD1 4.01Å; T128-I132 WeakPolarHBondContact O-CG1 3.46Å; T128-I132 PolarHBondContact O-N 2.85Å; E129-I132 PolarHBondContact O-N 3.19Å; I132-F134 VanDerWaalsContact C-N 3.29Å; I132-F134 PolarHBondContact O-N 3.24Å; I132-L135 WeakPolarHBondContact O-CB 3.47Å; I132-L135 PolarHBondContact O-N 2.97Å; I132-E136 WeakPolarHBondContact O-CG 3.29Å; I132-E136 PolarHBondContact O-N 3.42Å |
| 133 | Q | 95.8 | Very high | 94.7 | Very high | 94 Ų | 94 | 83 Ų | 83 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 177.9 | -175.3 | 179.3 | 2.7 | 0 | 0 | 111.7 | E129 K130 E136 E137 | E129-Q133 VanDerWaalsContact O-CB 3.31Å; E129-Q133 WeakPolarHBondContact O-CB 3.32Å; E129-Q133 PolarHBondContact O-N 3.12Å; K130-Q133 PolarHBondContact O-N 2.88Å; Q133-E136 PolarHBondContact O-N 3.15Å; Q133-E137 HydrophobicContact CG-CG 4.17Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.16Å; Q133-E137 PolarHBondContact NE2-OE1 2.81Å; Q133-E137 WeakPolarHBondContact O-CB 3.41Å; Q133-E137 WeakPolarHBondContact O-CG 3.28Å; Q133-E137 PolarHBondContact O-N 3.02Å |
| 134 | F | 96 | Very high | 94.3 | Very high | 28 Ų | 28 | 79.8 Ų | 79.8 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 177.1 | -169.4 | -86.9 | 0 | 0 | 0 | 111.9 | L101 K130 T131 I132 E136 E137 K138 I142 A149 A152 I153 | L101-F134 HydrophobicContact CB-CZ 4.31Å; K130-F134 WeakPolarHBondContact O-CB 3.3Å; K130-F134 PolarHBondContact O-N 3.32Å; T131-F134 PolarHBondContact O-N 3.22Å; I132-F134 VanDerWaalsContact C-N 3.29Å; I132-F134 PolarHBondContact O-N 3.24Å; F134-E136 VanDerWaalsContact C-N 3.27Å; F134-E136 PolarHBondContact O-N 3.1Å; F134-E137 PolarHBondContact O-N 3.26Å; F134-K138 HydrophobicContact CD1-CB 4.17Å; F134-K138 HydrophobicContact CD2-CG 4.06Å; F134-K138 HydrophobicContact CE1-CB 3.88Å; F134-K138 HydrophobicContact CE1-CG 4.35Å; F134-K138 HydrophobicContact CE2-CB 4.23Å; F134-K138 HydrophobicContact CE2-CG 3.79Å; F134-K138 HydrophobicContact CG-CB 4.48Å; F134-K138 HydrophobicContact CG-CG 4.46Å; F134-K138 HydrophobicContact CZ-CB 3.9Å; F134-K138 HydrophobicContact CZ-CG 3.93Å; F134-K138 WeakPolarHBondContact O-CA 3.46Å; F134-K138 VanDerWaalsContact O-CB 3.32Å; F134-K138 WeakPolarHBondContact O-CB 3.43Å; F134-K138 PolarHBondContact O-N 2.72Å; F134-I142 HydrophobicContact CD1-CD1 4.04Å; F134-I142 HydrophobicContact CE1-CD1 3.82Å; F134-A149 HydrophobicContact CD1-CB 3.96Å; F134-A152 HydrophobicContact CD1-CB 4.01Å; F134-A152 HydrophobicContact CD2-CB 3.97Å; F134-A152 HydrophobicContact CE1-CB 3.56Å; F134-A152 HydrophobicContact CE2-CB 3.52Å; F134-A152 HydrophobicContact CG-CB 4.2Å; F134-A152 HydrophobicContact CZ-CB 3.3Å; F134-I153 HydrophobicContact CB-CD1 4.16Å; F134-I153 HydrophobicContact CB-CG1 4.33Å; F134-I153 HydrophobicContact CD2-CD1 4.27Å; F134-I153 HydrophobicContact CG-CD1 4.48Å |
| 135 | L | 93.2 | Very high | 93.9 | Very high | 59 Ų | 59 | 79 Ų | 79 | 31% | 0.309 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.3 | -39.1 | 175.4 | -73 | 165.2 | 0 | 0 | 0 | 112 | T131 I132 E139 I142 A149 | T131-L135 HydrophobicContact CG2-CD1 4.48Å; T131-L135 WeakPolarHBondContact O-CG 2.93Å; T131-L135 PolarHBondContact O-N 2.95Å; I132-L135 WeakPolarHBondContact O-CB 3.47Å; I132-L135 PolarHBondContact O-N 2.97Å; L135-E139 PolarHBondContact O-N 2.96Å; L135-I142 HydrophobicContact CD2-CD1 4.06Å; L135-I142 HydrophobicContact CD2-CG1 4.15Å; L135-I142 HydrophobicContact CD2-CG2 4.29Å; L135-A149 HydrophobicContact CD1-CB 4.18Å; L135-A149 HydrophobicContact CD2-CB 3.66Å; L135-A149 HydrophobicContact CG-CB 3.54Å |
| 136 | E | 93.2 | Very high | 93.6 | Very high | 144 Ų | 144 | 80.9 Ų | 80.9 | 67% | 0.673 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -73.6 | -43.7 | 178.8 | -69 | 178.6 | 171.2 | 0 | 0 | 112.9 | I132 Q133 F134 | I132-E136 WeakPolarHBondContact O-CG 3.29Å; I132-E136 PolarHBondContact O-N 3.42Å; Q133-E136 PolarHBondContact O-N 3.15Å; F134-E136 VanDerWaalsContact C-N 3.27Å; F134-E136 PolarHBondContact O-N 3.1Å |
| 137 | E | 95.2 | Very high | 93.4 | Very high | 120 Ų | 120 | 77.5 Ų | 77.5 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -84.2 | -25.3 | -173.5 | -69.5 | -178 | 178.5 | 0 | 0 | 113.7 | Q133 F134 | Q133-E137 HydrophobicContact CG-CG 4.17Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.16Å; Q133-E137 PolarHBondContact NE2-OE1 2.81Å; Q133-E137 WeakPolarHBondContact O-CB 3.41Å; Q133-E137 WeakPolarHBondContact O-CG 3.28Å; Q133-E137 PolarHBondContact O-N 3.02Å; F134-E137 PolarHBondContact O-N 3.26Å |
| 138 | K | 93.6 | Very high | 93.3 | Very high | 59 Ų | 59 | 77.4 Ų | 77.4 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | trans | -121.8 | 25.2 | -173.7 | -59.8 | -67.4 | -168.8 | 165.3 | 0 | 112.8 | E102 F134 Q140 L141 | E102-K138 IonicContact OE2-NZ 3.13Å; E102-K138 PolarHBondContact OE2-NZ 3.13Å; F134-K138 HydrophobicContact CD1-CB 4.17Å; F134-K138 HydrophobicContact CD2-CG 4.06Å; F134-K138 HydrophobicContact CE1-CB 3.88Å; F134-K138 HydrophobicContact CE1-CG 4.35Å; F134-K138 HydrophobicContact CE2-CB 4.23Å; F134-K138 HydrophobicContact CE2-CG 3.79Å; F134-K138 HydrophobicContact CG-CB 4.48Å; F134-K138 HydrophobicContact CG-CG 4.46Å; F134-K138 HydrophobicContact CZ-CB 3.9Å; F134-K138 HydrophobicContact CZ-CG 3.93Å; F134-K138 WeakPolarHBondContact O-CA 3.46Å; F134-K138 VanDerWaalsContact O-CB 3.32Å; F134-K138 WeakPolarHBondContact O-CB 3.43Å; F134-K138 PolarHBondContact O-N 2.72Å; K138-Q140 PolarHBondContact O-N 3.44Å; K138-L141 HydrophobicContact CB-CD1 4.16Å; K138-L141 HydrophobicContact CB-CG 4.41Å; K138-L141 HydrophobicContact CD-CD1 3.97Å; K138-L141 HydrophobicContact CG-CD1 4.42Å; K138-L141 WeakPolarHBondContact O-CB 3.45Å; K138-L141 PolarHBondContact O-N 3.39Å | ||
| 139 | E | 90.4 | Very high | 93.3 | Very high | 148 Ų | 148 | 74.4 Ų | 74.4 | 69% | 0.692 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -45.2 | -40.5 | -180 | -171.8 | -175.3 | -179.2 | 0 | 0 | 112.9 | L135 L141 I142 | L135-E139 PolarHBondContact O-N 2.96Å; E139-L141 PolarHBondContact O-N 3.2Å; E139-L141 VanDerWaalsContact O-N 3.14Å; E139-I142 WeakPolarHBondContact O-CB 3.07Å; E139-I142 PolarHBondContact O-N 3.06Å; E139-I142 VanDerWaalsContact O-N 3.1Å |
| 140 | Q | 93 | Very high | 93.4 | Very high | 138 Ų | 138 | 69.3 Ų | 69.3 | 65% | 0.645 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -63.7 | -17.8 | 179.5 | 72.9 | -77.9 | 0 | 0 | 0 | 115.1 | K138 | K138-Q140 PolarHBondContact O-N 3.44Š|
| 141 | L | 91.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -93.3 | -16.3 | 178.4 | -56.1 | -176 | 0 | 0 | 0 | 112.3 | R100 L101 E102 K138 E139 | R100-L141 PolarHBondContact NH1-O 3.3Å; L101-L141 HydrophobicContact CD2-CB 4.27Å; E102-L141 HydrophobicContact CB-CD1 4.35Å; E102-L141 HydrophobicContact CG-CD1 3.77Å; K138-L141 HydrophobicContact CB-CD1 4.16Å; K138-L141 HydrophobicContact CB-CG 4.41Å; K138-L141 HydrophobicContact CD-CD1 3.97Å; K138-L141 HydrophobicContact CG-CD1 4.42Å; K138-L141 WeakPolarHBondContact O-CB 3.45Å; K138-L141 PolarHBondContact O-N 3.39Å; E139-L141 PolarHBondContact O-N 3.2Å; E139-L141 VanDerWaalsContact O-N 3.14Å |
| 142 | I | 91.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 17% | 0.169 | 32% | 0.315 | C | S | . | . | trans | -79.5 | 128.6 | -171.2 | -56.8 | -61 | 0 | 0 | 0 | 110.8 | F134 L135 E139 H145 D148 | F134-I142 HydrophobicContact CD1-CD1 4.04Å; F134-I142 HydrophobicContact CE1-CD1 3.82Å; L135-I142 HydrophobicContact CD2-CD1 4.06Å; L135-I142 HydrophobicContact CD2-CG1 4.15Å; L135-I142 HydrophobicContact CD2-CG2 4.29Å; E139-I142 WeakPolarHBondContact O-CB 3.07Å; E139-I142 PolarHBondContact O-N 3.06Å; E139-I142 VanDerWaalsContact O-N 3.1Å; I142-H145 VanDerWaalsContact CG2-CA 3.45Å; I142-D148 HydrophobicContact CD1-CB 3.77Å | ||
| 143 | V | 90.2 | Very high | 93.5 | Very high | 84 Ų | 84 | 62.8 Ų | 62.8 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -125.3 | -40.2 | 175.6 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | R100 D148 | R100-V143 VanDerWaalsContact NH1-CG2 3.29Å; V143-D148 PolarHBondContact N-OD2 2.83Å |
| 144 | F | 88 | Confident | 93.6 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 32% | 0.32 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -108.6 | 31.7 | -179.2 | -54.9 | -69.3 | 0 | 0 | 0 | 112.3 | Q94 D146 Q147 D148 | Q94-F144 HydrophobicContact CG-CD2 4.3Å; Q94-F144 HydrophobicContact CG-CE2 3.75Å; Q94-F144 HydrophobicContact CG-CZ 4.13Å; Q94-F144 VanDerWaalsContact NE2-CZ 3.31Å; F144-D146 PolarHBondContact O-N 3.18Å; F144-Q147 HydrophobicContact CB-CB 4.17Å; F144-Q147 WeakPolarHBondContact O-CB 3.46Å; F144-Q147 PolarHBondContact O-N 3.12Å; F144-Q147 VanDerWaalsContact O-N 3.1Å; F144-D148 PolarHBondContact N-OD2 2.57Å |
| 145 | H | 89.2 | Confident | 93.5 | Very high | 139 Ų | 139 | 59.8 Ų | 59.8 | 64% | 0.644 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | -119.8 | 172.7 | -57.9 | -69.2 | 0 | 0 | 0 | 114 | I142 Q147 D148 A149 | I142-H145 VanDerWaalsContact CG2-CA 3.45Å; H145-Q147 VanDerWaalsContact C-N 3.33Å; H145-Q147 PolarHBondContact O-N 2.87Å; H145-D148 PolarHBondContact O-N 3.03Å; H145-A149 PolarHBondContact O-N 3Å |
| 146 | D | 89.1 | Confident | 93.5 | Very high | 90 Ų | 90 | 61.3 Ų | 61.3 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.2 | -37.2 | -178.4 | 64.2 | -39.8 | 0 | 0 | 0 | 112.2 | F144 D148 A149 L150 | F144-D146 PolarHBondContact O-N 3.18Å; D146-D148 PolarHBondContact O-N 3.26Å; D146-A149 PolarHBondContact O-N 3.06Å; D146-L150 WeakPolarHBondContact O-CB 3.28Å; D146-L150 VanDerWaalsContact O-CG 3.24Å; D146-L150 WeakPolarHBondContact O-CG 3.44Å; D146-L150 PolarHBondContact O-N 3.22Å |
| 147 | Q | 94.2 | Very high | 93.6 | Very high | 18 Ų | 18 | 58 Ų | 58 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.7 | -40.6 | 177.8 | -165.2 | 174.2 | -98.7 | 0 | 0 | 111.5 | D91 Y109 N111 S112 F144 H145 N151 | D91-Q147 PolarHBondContact OD2-NE2 2.95Å; Y109-Q147 HydrophobicContact CE1-CG 3.64Å; Y109-Q147 VanDerWaalsContact CE1-NE2 3.31Å; Y109-Q147 VanDerWaalsContact OH-C 3.25Å; Y109-Q147 WeakPolarHBondContact OH-CG 3.41Å; Y109-Q147 PolarHBondContact OH-NE2 3.37Å; Y109-Q147 PolarHBondContact OH-O 3.08Å; N111-Q147 VanDerWaalsContact CA-OE1 3.27Å; N111-Q147 PolarHBondContact ND2-OE1 2.98Å; S112-Q147 VanDerWaalsContact OG-CB 3.3Å; S112-Q147 WeakPolarHBondContact OG-CB 3.42Å; S112-Q147 WeakPolarHBondContact OG-CG 3.42Å; S112-Q147 PolarHBondContact OG-OE1 3.47Å; F144-Q147 HydrophobicContact CB-CB 4.17Å; F144-Q147 WeakPolarHBondContact O-CB 3.46Å; F144-Q147 PolarHBondContact O-N 3.12Å; F144-Q147 VanDerWaalsContact O-N 3.1Å; H145-Q147 VanDerWaalsContact C-N 3.33Å; H145-Q147 PolarHBondContact O-N 2.87Å; Q147-N151 WeakPolarHBondContact O-CB 3.09Å; Q147-N151 PolarHBondContact O-N 3.05Å; Q147-N151 PolarHBondContact O-ND2 2.89Å |
| 148 | D | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -49.7 | 176.6 | -80.8 | -19 | 0 | 0 | 0 | 111.7 | R100 L101 Y109 I142 V143 F144 H145 D146 L150 N151 A152 | R100-D148 IonicContact CZ-OD1 3.63Å; R100-D148 IonicContact CZ-OD2 2.73Å; R100-D148 IonicContact NH1-OD1 2.67Å; R100-D148 IonicContact NH1-OD2 3.19Å; R100-D148 PolarHBondContact NH1-OD2 2.9Å; R100-D148 VanDerWaalsContact NH2-CG 3.29Å; R100-D148 IonicContact NH2-OD1 2.68Å; R100-D148 PolarHBondContact NH2-OD1 2.8Å; R100-D148 IonicContact NH2-OD2 3.58Å; R100-D148 PolarHBondContact NH2-OD2 3.28Å; L101-D148 HydrophobicContact CD1-CB 4.03Å; L101-D148 WeakPolarHBondContact CD1-O 3.33Å; L101-D148 HydrophobicContact CD2-CB 3.87Å; Y109-D148 WeakPolarHBondContact CE2-OD1 3.18Å; Y109-D148 WeakPolarHBondContact OH-CA 3.44Å; Y109-D148 PolarHBondContact OH-N 3.01Å; Y109-D148 PolarHBondContact OH-OD1 2.79Å; I142-D148 HydrophobicContact CD1-CB 3.77Å; V143-D148 PolarHBondContact N-OD2 2.83Å; F144-D148 PolarHBondContact N-OD2 2.57Å; H145-D148 PolarHBondContact O-N 3.03Å; D146-D148 PolarHBondContact O-N 3.26Å; D148-L150 VanDerWaalsContact C-N 3.32Å; D148-L150 PolarHBondContact O-N 2.83Å; D148-N151 PolarHBondContact O-N 2.86Å; D148-A152 WeakPolarHBondContact O-CB 3.44Å; D148-A152 PolarHBondContact O-N 3.26Å |
| 149 | A | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T131 F134 L135 H145 D146 A152 I153 | T131-A149 HydrophobicContact CG2-CB 3.59Å; F134-A149 HydrophobicContact CD1-CB 3.96Å; L135-A149 HydrophobicContact CD1-CB 4.18Å; L135-A149 HydrophobicContact CD2-CB 3.66Å; L135-A149 HydrophobicContact CG-CB 3.54Å; H145-A149 PolarHBondContact O-N 3Å; D146-A149 PolarHBondContact O-N 3.06Å; A149-A152 PolarHBondContact O-N 2.87Å; A149-I153 VanDerWaalsContact O-CG1 3.31Å; A149-I153 WeakPolarHBondContact O-CG1 3Å; A149-I153 PolarHBondContact O-N 3.43Å |
| 150 | L | 97.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.5 | -72 | 172.4 | 0 | 0 | 0 | 111.4 | F110 M115 W122 T131 D146 D148 A152 I153 L154 | F110-L150 HydrophobicContact CE2-CB 4.32Å; F110-L150 HydrophobicContact CZ-CB 3.93Å; M115-L150 HydrophobicContact CE-CD1 3.98Å; M115-L150 HydrophobicContact SD-CD1 4.28Å; W122-L150 HydrophobicContact CH2-CD2 3.62Å; W122-L150 HydrophobicContact CZ2-CD2 4.29Å; W122-L150 HydrophobicContact CZ3-CD2 4.5Å; T131-L150 HydrophobicContact CG2-CD2 3.98Å; T131-L150 HydrophobicContact CG2-CG 4.19Å; D146-L150 WeakPolarHBondContact O-CB 3.28Å; D146-L150 VanDerWaalsContact O-CG 3.24Å; D146-L150 WeakPolarHBondContact O-CG 3.44Å; D146-L150 PolarHBondContact O-N 3.22Å; D148-L150 VanDerWaalsContact C-N 3.32Å; D148-L150 PolarHBondContact O-N 2.83Å; L150-A152 VanDerWaalsContact C-N 3.27Å; L150-A152 PolarHBondContact O-N 3.01Å; L150-I153 PolarHBondContact O-N 2.82Å; L150-I153 VanDerWaalsContact O-N 3.17Å; L150-L154 HydrophobicContact CB-CD1 4.48Å; L150-L154 HydrophobicContact CD2-CD1 4.1Å; L150-L154 VanDerWaalsContact O-CB 3.25Å; L150-L154 WeakPolarHBondContact O-CB 3.42Å; L150-L154 PolarHBondContact O-N 3.35Å |
| 151 | N | 97.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -35.3 | 175.5 | -86.7 | -85 | 0 | 0 | 0 | 112.3 | L98 L101 Y109 F110 Q147 D148 I153 H155 | L98-N151 HydrophobicContact CD2-CB 3.97Å; L101-N151 HydrophobicContact CD1-CB 4.44Å; Y109-N151 VanDerWaalsContact CA-OD1 3.22Å; Y109-N151 WeakPolarHBondContact CA-OD1 3.44Å; Y109-N151 HydrophobicContact CD2-CB 3.69Å; Y109-N151 WeakPolarHBondContact CE1-ND2 3.32Å; Y109-N151 HydrophobicContact CE2-CB 3.57Å; Y109-N151 HydrophobicContact CG-CB 4.29Å; F110-N151 WeakPolarHBondContact CD1-OD1 3.48Å; F110-N151 HydrophobicContact CE1-CB 4.38Å; F110-N151 WeakPolarHBondContact CE1-OD1 3.35Å; F110-N151 PolarHBondContact N-OD1 3.42Å; F110-N151 PolarHBondContact O-ND2 3.14Å; Q147-N151 WeakPolarHBondContact O-CB 3.09Å; Q147-N151 PolarHBondContact O-N 3.05Å; Q147-N151 PolarHBondContact O-ND2 2.89Å; D148-N151 PolarHBondContact O-N 2.86Å; N151-I153 VanDerWaalsContact C-N 3.33Å; N151-I153 PolarHBondContact O-N 3.47Å; N151-H155 PolarHBondContact O-N 3.21Å |
| 152 | A | 96.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.5 | -26.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L101 V103 F134 D148 A149 L150 H155 | L101-A152 HydrophobicContact CB-CB 4.33Å; L101-A152 HydrophobicContact CD1-CB 4.19Å; V103-A152 HydrophobicContact CG2-CB 4.15Å; F134-A152 HydrophobicContact CD1-CB 4.01Å; F134-A152 HydrophobicContact CD2-CB 3.97Å; F134-A152 HydrophobicContact CE1-CB 3.56Å; F134-A152 HydrophobicContact CE2-CB 3.52Å; F134-A152 HydrophobicContact CG-CB 4.2Å; F134-A152 HydrophobicContact CZ-CB 3.3Å; D148-A152 WeakPolarHBondContact O-CB 3.44Å; D148-A152 PolarHBondContact O-N 3.26Å; A149-A152 PolarHBondContact O-N 2.87Å; L150-A152 VanDerWaalsContact C-N 3.27Å; L150-A152 PolarHBondContact O-N 3.01Å; A152-H155 PolarHBondContact O-CD2 3.35Å; A152-H155 VanDerWaalsContact O-CD2 3.28Å |
| 153 | I | 96.9 | Very high | 93.2 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 23% | 0.226 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -95.8 | -30.7 | -178.5 | -65.8 | -50.8 | 0 | 0 | 0 | 112.5 | V127 K130 F134 A149 L150 N151 | V127-I153 HydrophobicContact CG1-CG2 4.28Å; K130-I153 HydrophobicContact CB-CD1 3.92Å; K130-I153 HydrophobicContact CB-CG1 4.09Å; K130-I153 HydrophobicContact CB-CG2 3.83Å; K130-I153 HydrophobicContact CD-CG2 4.17Å; F134-I153 HydrophobicContact CB-CD1 4.16Å; F134-I153 HydrophobicContact CB-CG1 4.33Å; F134-I153 HydrophobicContact CD2-CD1 4.27Å; F134-I153 HydrophobicContact CG-CD1 4.48Å; A149-I153 VanDerWaalsContact O-CG1 3.31Å; A149-I153 WeakPolarHBondContact O-CG1 3Å; A149-I153 PolarHBondContact O-N 3.43Å; L150-I153 PolarHBondContact O-N 2.82Å; L150-I153 VanDerWaalsContact O-N 3.17Å; N151-I153 VanDerWaalsContact C-N 3.33Å; N151-I153 PolarHBondContact O-N 3.47Å |
| 154 | L | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -104.6 | 2.8 | -171.9 | -63.5 | 172.1 | 0 | 0 | 0 | 113.9 | I85 I86 F110 W122 V127 L150 D156 N157 | I85-L154 HydrophobicContact CB-CD2 4.11Å; I85-L154 HydrophobicContact CD1-CD2 3.78Å; I85-L154 HydrophobicContact CG2-CD2 4.04Å; I86-L154 HydrophobicContact CD1-CD1 3.69Å; I86-L154 HydrophobicContact CG1-CD1 4.2Å; I86-L154 HydrophobicContact CG2-CD1 4.25Å; F110-L154 HydrophobicContact CE1-CB 4.14Å; F110-L154 HydrophobicContact CZ-CB 4.35Å; F110-L154 HydrophobicContact CZ-CD1 4.18Å; W122-L154 HydrophobicContact CH2-CD1 4.45Å; W122-L154 HydrophobicContact CZ3-CD1 3.98Å; V127-L154 HydrophobicContact CG1-CD1 4.22Å; V127-L154 HydrophobicContact CG1-CD2 3.88Å; V127-L154 HydrophobicContact CG1-CG 4.2Å; V127-L154 HydrophobicContact CG2-CD2 3.91Å; L150-L154 HydrophobicContact CB-CD1 4.48Å; L150-L154 HydrophobicContact CD2-CD1 4.1Å; L150-L154 VanDerWaalsContact O-CB 3.25Å; L150-L154 WeakPolarHBondContact O-CB 3.42Å; L150-L154 PolarHBondContact O-N 3.35Å; L154-D156 PolarHBondContact O-N 2.95Å; L154-N157 CarbonylContact O-C 3.5Å; L154-N157 WeakPolarHBondContact O-CA 3.39Å; L154-N157 PolarHBondContact O-N 3.4Å |
| 155 | H | 94.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 27% | 0.273 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 139.9 | 172.4 | 76.7 | 85.5 | 0 | 0 | 0 | 110.7 | L98 V103 N151 A152 N157 | L98-H155 HydrophobicContact CD1-CB 4.17Å; V103-H155 HydrophobicContact CG1-CB 4.11Å; V103-H155 VanDerWaalsContact CG1-CD2 3.41Å; V103-H155 WeakPolarHBondContact CG1-CD2 3.26Å; N151-H155 PolarHBondContact O-N 3.21Å; A152-H155 PolarHBondContact O-CD2 3.35Å; A152-H155 VanDerWaalsContact O-CD2 3.28Å; H155-N157 PolarHBondContact O-N 3.43Å |
| 156 | D | 93.7 | Very high | 92.7 | Very high | 92 Ų | 92 | 33.8 Ų | 33.8 | 49% | 0.492 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 4.9 | -175.8 | -54 | -64.2 | 0 | 0 | 0 | 115.3 | S105 D107 L154 | S105-D156 WeakPolarHBondContact CB-OD2 3.28Å; S105-D156 VanDerWaalsContact OG-CG 3.27Å; S105-D156 PolarHBondContact OG-OD1 3.03Å; S105-D156 PolarHBondContact OG-OD2 3.12Å; D107-D156 PolarHBondContact OD2-N 3.2Å; L154-D156 PolarHBondContact O-N 2.95Å |
| 157 | N | 95.8 | Very high | 92.2 | Very high | 74 Ų | 74 | 33.6 Ų | 33.6 | 40% | 0.396 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -128 | 25.4 | 178.6 | -80.8 | -74.3 | 0 | 0 | 0 | 113.3 | I85 L154 H155 | I85-N157 HydrophobicContact CD1-CB 3.96Å; I85-N157 HydrophobicContact CG1-CB 4.19Å; I85-N157 PolarHBondContact N-O 3.35Å; L154-N157 CarbonylContact O-C 3.5Å; L154-N157 WeakPolarHBondContact O-CA 3.39Å; L154-N157 PolarHBondContact O-N 3.4Å; H155-N157 PolarHBondContact O-N 3.43Å |
| 158 | W | 97 | Very high | 91.4 | Very high | 11 Ų | 11 | 33.8 Ų | 33.8 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 154.4 | 171.3 | 74.2 | -71.6 | 0 | 0 | 0 | 111.1 | H84 I86 A88 I90 D107 Y108 F110 Q160 | H84-W158 VanDerWaalsContact CD2-C 3.41Å; H84-W158 PolarHBondContact CD2-O 3.08Å; I86-W158 HydrophobicContact CD1-CB 4.08Å; I86-W158 HydrophobicContact CG1-CB 3.46Å; I86-W158 VanDerWaalsContact CG1-CB 3.46Å; I86-W158 CarbonylContact O-C 3.52Å; I86-W158 VanDerWaalsContact O-CA 3.27Å; I86-W158 WeakPolarHBondContact O-CA 3.23Å; A88-W158 HydrophobicContact CB-CE3 3.84Å; A88-W158 HydrophobicContact CB-CZ3 4.07Å; A88-W158 VanDerWaalsContact O-CZ3 3.31Å; A88-W158 WeakPolarHBondContact O-CZ3 3.41Å; I90-W158 HydrophobicContact CG1-CH2 3.81Å; D107-W158 VanDerWaalsContact CG-NE1 3.29Å; D107-W158 PolarHBondContact OD1-NE1 2.79Å; D107-W158 PolarHBondContact OD2-NE1 3.5Å; Y108-W158 WeakPolarHBondContact O-CZ2 3.29Å; F110-W158 HydrophobicContact CB-CD2 4.16Å; F110-W158 HydrophobicContact CB-CE3 3.89Å; F110-W158 HydrophobicContact CB-CH2 3.73Å; F110-W158 HydrophobicContact CB-CZ2 4.01Å; F110-W158 HydrophobicContact CB-CZ3 3.65Å; F110-W158 AromaticContact CD1-CD2 3.75Å; F110-W158 HydrophobicContact CD1-CD2 3.75Å; F110-W158 AromaticContact CD1-CE2 3.89Å; F110-W158 HydrophobicContact CD1-CE3 4.21Å; F110-W158 AromaticContact CD1-CG 3.89Å; F110-W158 HydrophobicContact CD1-CG 3.89Å; F110-W158 HydrophobicContact CD1-CZ2 4.49Å; F110-W158 HydrophobicContact CE1-CG 4.27Å; F110-W158 HydrophobicContact CG-CD2 4.24Å; F110-W158 HydrophobicContact CG-CE3 4.24Å; F110-W158 HydrophobicContact CG-CZ3 4.48Å; W158-Q160 HydrophobicContact CH2-CB 4.11Å; W158-Q160 HydrophobicContact CH2-CG 4.37Å; W158-Q160 HydrophobicContact CZ3-CB 4.13Å |
| 159 | K | 94.8 | Very high | 90 | Very high | 72 Ų | 72 | 38.2 Ų | 38.2 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128 | 175.8 | -177.9 | 174.9 | 174.6 | 178.3 | 0 | 110 | N80 L81 H84 I86 G87 A88 L161 | N80-K159 WeakPolarHBondContact O-CD 3.36Å; N80-K159 PolarHBondContact O-NZ 2.99Å; L81-K159 HydrophobicContact CD2-CB 4.36Å; H84-K159 HydrophobicContact CB-CB 4.13Å; I86-K159 PolarHBondContact O-N 3.48Å; G87-K159 VanDerWaalsContact CA-O 3.27Å; G87-K159 WeakPolarHBondContact CA-O 3.45Å; A88-K159 PolarHBondContact N-O 2.69Å; A88-K159 VanDerWaalsContact N-O 3.08Å; K159-L161 PolarHBondContact O-N 2.58Å; K159-L161 VanDerWaalsContact O-N 3.16Å |
| 160 | Q | 92.4 | Very high | 88.5 | Confident | 70 Ų | 70 | 39.2 Ų | 39.2 | 33% | 0.327 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 115.1 | 168.3 | -173.7 | -168.9 | -46.4 | 0 | 0 | 110.3 | I90 W158 Y183 | I90-Q160 HydrophobicContact CD1-CG 4.19Å; I90-Q160 HydrophobicContact CG1-CG 4.14Å; W158-Q160 HydrophobicContact CH2-CB 4.11Å; W158-Q160 HydrophobicContact CH2-CG 4.37Å; W158-Q160 HydrophobicContact CZ3-CB 4.13Å; Q160-Y183 HydrophobicContact CG-CE2 4.27Å; Q160-Y183 VanDerWaalsContact NE2-CE2 3.27Å |
| 161 | L | 91.2 | Very high | 86.5 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | trans | -85.7 | 161.2 | 170.5 | -61 | 179.3 | 0 | 0 | 0 | 110.9 | L76 Q79 G87 A88 V89 L116 K159 | L76-L161 HydrophobicContact CD1-CD1 3.6Å; Q79-L161 HydrophobicContact CB-CD2 4.22Å; Q79-L161 HydrophobicContact CG-CD2 4.26Å; G87-L161 WeakPolarHBondContact O-CD1 3.28Å; A88-L161 VanDerWaalsContact O-CB 3.27Å; A88-L161 WeakPolarHBondContact O-CB 3.39Å; A88-L161 PolarHBondContact O-N 3.03Å; V89-L161 HydrophobicContact CG2-CB 4.17Å; L116-L161 HydrophobicContact CB-CD1 4.43Å; K159-L161 PolarHBondContact O-N 2.58Å; K159-L161 VanDerWaalsContact O-N 3.16Å | ||
| 162 | H | 86.4 | Confident | 84.5 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 16% | 0.162 | 22% | 0.224 | C | C | . | . | trans | -58.6 | 134.9 | 173.2 | -166.3 | -75.2 | 0 | 0 | 0 | 110.7 | K164 W165 L186 D190 | H162-K164 HydrophobicContact CB-CG 4.22Å; H162-K164 WeakPolarHBondContact ND1-CG 3.41Å; H162-K164 PolarHBondContact ND1-N 2.78Å; H162-K164 PolarHBondContact O-N 3.1Å; H162-W165 PolarHBondContact O-N 3.11Å; H162-W165 VanDerWaalsContact O-N 3.12Å; H162-L186 PolarHBondContact CE1-O 3.37Å; H162-L186 VanDerWaalsContact NE2-CB 3.3Å; H162-L186 WeakPolarHBondContact NE2-CB 3.24Å; H162-L186 WeakPolarHBondContact NE2-CD2 3.28Å; H162-L186 PolarHBondContact NE2-O 3.04Å; H162-D190 IonicContact CD2-OD1 2.58Å; H162-D190 IonicContact CD2-OD2 2.84Å; H162-D190 PolarHBondContact CD2-OD2 3.34Å; H162-D190 WeakPolarHBondContact CE1-CB 3.5Å; H162-D190 IonicContact CE1-OD1 2.95Å; H162-D190 PolarHBondContact CE1-OD1 2.87Å; H162-D190 IonicContact CE1-OD2 3.59Å; H162-D190 PolarHBondContact CE1-OD2 3.11Å; H162-D190 IonicContact CG-OD2 3.54Å; H162-D190 VanDerWaalsContact ND1-CG 3.28Å; H162-D190 IonicContact ND1-OD2 2.78Å; H162-D190 PolarHBondContact ND1-OD2 2.98Å; H162-D190 IonicContact NE2-OD1 3.28Å; H162-D190 PolarHBondContact NE2-OD1 3.4Å; H162-D190 IonicContact NE2-OD2 3.76Å; H162-D190 PolarHBondContact NE2-OD2 3.26Å | ||
| 163 | P | 85.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -49.6 | -29 | 178 | -26.2 | 23.5 | 0 | 0 | 0 | 118.3 | W165 N166 M167 Y183 L186 Y187 | P163-W165 PolarHBondContact O-N 3.33Å; P163-N166 CarbonylContact O-C 3.57Å; P163-N166 PolarHBondContact O-N 3.1Å; P163-N166 VanDerWaalsContact O-N 3.08Å; P163-M167 PolarHBondContact O-N 2.62Å; P163-Y183 HydrophobicContact CG-CD2 4.26Å; P163-Y183 HydrophobicContact CG-CE1 4.21Å; P163-Y183 HydrophobicContact CG-CE2 3.72Å; P163-L186 HydrophobicContact CG-CB 3.89Å; P163-L186 HydrophobicContact CG-CD1 4.44Å; P163-Y187 HydrophobicContact CB-CD1 3.63Å; P163-Y187 HydrophobicContact CB-CD2 4.4Å; P163-Y187 HydrophobicContact CB-CE1 3.15Å; P163-Y187 HydrophobicContact CB-CE2 4.01Å; P163-Y187 HydrophobicContact CB-CG 4.2Å; P163-Y187 WeakPolarHBondContact CB-OH 3.38Å; P163-Y187 HydrophobicContact CG-CD1 4.28Å; P163-Y187 HydrophobicContact CG-CD2 4.25Å; P163-Y187 HydrophobicContact CG-CE1 4Å; P163-Y187 HydrophobicContact CG-CE2 3.97Å; P163-Y187 HydrophobicContact CG-CG 4.36Å |
| 164 | K | 83.1 | Confident | 80.7 | Confident | 77 Ų | 77 | 56.4 Ų | 56.4 | 34% | 0.335 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -54.9 | -26.2 | 178.6 | 71.1 | 172.6 | 158 | -175.5 | 0 | 113.4 | H162 N166 D190 | H162-K164 HydrophobicContact CB-CG 4.22Å; H162-K164 WeakPolarHBondContact ND1-CG 3.41Å; H162-K164 PolarHBondContact ND1-N 2.78Å; H162-K164 PolarHBondContact O-N 3.1Å; K164-N166 VanDerWaalsContact C-N 3.32Å; K164-N166 PolarHBondContact O-N 3.13Å; K164-D190 HydrophobicContact CB-CB 4.21Å; K164-D190 HydrophobicContact CD-CB 4.5Å; K164-D190 WeakPolarHBondContact CD-OD2 3.42Å; K164-D190 WeakPolarHBondContact CE-OD2 3.48Å; K164-D190 IonicContact NZ-OD2 3.78Å |
| 165 | W | 86.5 | Confident | 79 | Confident | 23 Ų | 23 | 60.7 Ų | 60.7 | 9% | 0.087 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -76.4 | -17.6 | -177.1 | -60.5 | 121.8 | 0 | 0 | 0 | 113.9 | T71 E75 L76 V89 H162 P163 | T71-W165 HydrophobicContact CG2-CE3 4.27Å; T71-W165 HydrophobicContact CG2-CH2 3.95Å; T71-W165 HydrophobicContact CG2-CZ3 3.42Å; T71-W165 VanDerWaalsContact CG2-CZ3 3.42Å; E75-W165 HydrophobicContact CB-CH2 3.46Å; E75-W165 VanDerWaalsContact CB-CH2 3.46Å; E75-W165 HydrophobicContact CB-CZ2 3.99Å; E75-W165 HydrophobicContact CB-CZ3 4.44Å; L76-W165 HydrophobicContact CB-CD2 3.96Å; L76-W165 HydrophobicContact CB-CE3 3.6Å; L76-W165 HydrophobicContact CB-CH2 4.19Å; L76-W165 HydrophobicContact CB-CZ2 4.45Å; L76-W165 HydrophobicContact CB-CZ3 3.71Å; L76-W165 HydrophobicContact CD1-CB 4.14Å; L76-W165 HydrophobicContact CD1-CD2 3.91Å; L76-W165 HydrophobicContact CD1-CE3 4.32Å; L76-W165 HydrophobicContact CD1-CG 3.81Å; L76-W165 HydrophobicContact CD2-CB 4.48Å; L76-W165 HydrophobicContact CD2-CE3 4.2Å; L76-W165 HydrophobicContact CG-CD2 4.34Å; L76-W165 HydrophobicContact CG-CE3 4.24Å; V89-W165 HydrophobicContact CG2-CB 4.21Å; H162-W165 PolarHBondContact O-N 3.11Å; H162-W165 VanDerWaalsContact O-N 3.12Å; P163-W165 PolarHBondContact O-N 3.33Å |
| 166 | N | 87.6 | Confident | 77.8 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 11% | 0.107 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -154.8 | 65.3 | 176.3 | -167.2 | 4.4 | 0 | 0 | 0 | 110 | V89 N111 V114 P163 K164 Q168 | V89-N166 HydrophobicContact CB-CB 3.76Å; V89-N166 HydrophobicContact CG1-CB 4.3Å; V89-N166 HydrophobicContact CG2-CB 3.62Å; N111-N166 PolarHBondContact OD1-ND2 3.22Å; V114-N166 HydrophobicContact CB-CB 3.96Å; V114-N166 HydrophobicContact CG2-CB 4.1Å; V114-N166 PolarHBondContact N-ND2 2.66Å; P163-N166 CarbonylContact O-C 3.57Å; P163-N166 PolarHBondContact O-N 3.1Å; P163-N166 VanDerWaalsContact O-N 3.08Å; K164-N166 VanDerWaalsContact C-N 3.32Å; K164-N166 PolarHBondContact O-N 3.13Å; N166-Q168 PolarHBondContact O-N 2.66Å |
| 167 | M | 78.1 | Confident | 76.7 | Confident | 87 Ų | 87 | 62.2 Ų | 62.2 | 43% | 0.429 | 32% | 0.32 | S | S | . | . | trans | -66.7 | 110.7 | 179.5 | -86.7 | -101.4 | -74.9 | 0 | 0 | 110.9 | P163 M172 Y187 | P163-M167 PolarHBondContact O-N 2.62Å; M167-M172 HydrophobicContact CE-CG 3.92Å; M167-M172 HydrophobicContact CE-SD 3.92Å; M167-Y187 HydrophobicContact SD-CD1 3.88Å; M167-Y187 HydrophobicContact SD-CE1 4.01Å | ||
| 168 | Q | 76.3 | Confident | 75.7 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | trans | -89.3 | 138.9 | 179.5 | -64.9 | 159.3 | 63.6 | 0 | 0 | 111 | I90 P92 N166 S170 L171 M172 | I90-Q168 PolarHBondContact O-NE2 3.4Å; P92-Q168 VanDerWaalsContact CD-OE1 3.28Å; N166-Q168 PolarHBondContact O-N 2.66Å; Q168-S170 PolarHBondContact O-N 2.95Å; Q168-S170 VanDerWaalsContact O-N 3.15Å; Q168-L171 HydrophobicContact CB-CD1 4.26Å; Q168-L171 PolarHBondContact O-N 2.92Å; Q168-M172 PolarHBondContact O-N 2.95Å | ||
| 169 | T | 67.1 | Low | 74.8 | Confident | 93 Ų | 93 | 61 Ų | 61 | 57% | 0.571 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.7 | -31 | 179.9 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | L171 M172 F173 | T169-L171 PolarHBondContact O-N 2.8Å; T169-L171 VanDerWaalsContact O-N 3.13Å; T169-M172 HydrophobicContact CG2-CE 4.04Å; T169-M172 PolarHBondContact O-N 2.6Å; T169-F173 HydrophobicContact CG2-CE2 4.35Å; T169-F173 WeakPolarHBondContact O-CD2 3.46Å; T169-F173 PolarHBondContact O-N 3.21Å; T169-F173 VanDerWaalsContact O-N 3.08Å |
| 170 | S | 62.7 | Low | 74 | Confident | 20 Ų | 20 | 60 Ų | 60 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.1 | -24.9 | 176.7 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | Q168 V175 H176 | Q168-S170 PolarHBondContact O-N 2.95Å; Q168-S170 VanDerWaalsContact O-N 3.15Å; S170-V175 WeakPolarHBondContact O-CA 3.31Å; S170-V175 WeakPolarHBondContact O-CB 3.18Å; S170-V175 PolarHBondContact O-N 3.04Å; S170-H176 PolarHBondContact O-N 3.39Å |
| 171 | L | 56.4 | Low | 73.1 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -93.5 | -37.7 | 176.2 | -71.5 | 144.8 | 0 | 0 | 0 | 112.4 | P92 Q168 T169 F173 D174 Y187 | P92-L171 HydrophobicContact CB-CD1 4.03Å; P92-L171 HydrophobicContact CB-CD2 3.77Å; P92-L171 HydrophobicContact CB-CG 4Å; P92-L171 HydrophobicContact CG-CD1 3.39Å; P92-L171 HydrophobicContact CG-CD2 3.95Å; P92-L171 HydrophobicContact CG-CG 3.58Å; Q168-L171 HydrophobicContact CB-CD1 4.26Å; Q168-L171 PolarHBondContact O-N 2.92Å; T169-L171 PolarHBondContact O-N 2.8Å; T169-L171 VanDerWaalsContact O-N 3.13Å; L171-F173 PolarHBondContact O-N 3.28Å; L171-D174 PolarHBondContact O-N 3.13Å; L171-Y187 HydrophobicContact CB-CE1 4.28Å; L171-Y187 HydrophobicContact CD1-CE1 3.69Å; L171-Y187 HydrophobicContact CD1-CE2 3.7Å; L171-Y187 WeakPolarHBondContact CD1-OH 3.16Å; L171-Y187 HydrophobicContact CD2-CD2 4.15Å; L171-Y187 HydrophobicContact CD2-CE2 3.63Å; L171-Y187 HydrophobicContact CG-CE1 4.43Å; L171-Y187 HydrophobicContact CG-CE2 4.16Å |
| 172 | M | 55.1 | Low | 72.3 | Confident | 105 Ų | 105 | 72 Ų | 72 | 52% | 0.517 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.7 | -27 | 174.3 | -76.2 | -164 | -76.4 | 0 | 0 | 112.6 | M167 Q168 T169 | M167-M172 HydrophobicContact CE-CG 3.92Å; M167-M172 HydrophobicContact CE-SD 3.92Å; Q168-M172 PolarHBondContact O-N 2.95Å; T169-M172 HydrophobicContact CG2-CE 4.04Å; T169-M172 PolarHBondContact O-N 2.6Å |
| 173 | F | 55.7 | Low | 71.7 | Confident | 150 Ų | 150 | 70.4 Ų | 70.4 | 66% | 0.658 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 16.7 | -179.6 | -57.6 | -61.6 | 0 | 0 | 0 | 113.9 | T169 L171 V175 | T169-F173 HydrophobicContact CG2-CE2 4.35Å; T169-F173 WeakPolarHBondContact O-CD2 3.46Å; T169-F173 PolarHBondContact O-N 3.21Å; T169-F173 VanDerWaalsContact O-N 3.08Å; L171-F173 PolarHBondContact O-N 3.28Å; F173-V175 HydrophobicContact CB-CG2 3.92Å; F173-V175 PolarHBondContact O-N 3.01Å |
| 174 | D | 57.1 | Low | 71.2 | Confident | 150 Ų | 150 | 73.6 Ų | 73.6 | 80% | 0.802 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 30.3 | 179.8 | -68.2 | -36.6 | 0 | 0 | 0 | 114 | L171 | L171-D174 PolarHBondContact O-N 3.13Š|
| 175 | V | 62 | Low | 70.7 | Confident | 90 Ų | 90 | 75.3 Ų | 75.3 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -73 | -34.6 | -179.5 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | S170 F173 | S170-V175 WeakPolarHBondContact O-CA 3.31Å; S170-V175 WeakPolarHBondContact O-CB 3.18Å; S170-V175 PolarHBondContact O-N 3.04Å; F173-V175 HydrophobicContact CB-CG2 3.92Å; F173-V175 PolarHBondContact O-N 3.01Å |
| 176 | H | 70 | Confident | 69.8 | Low | 73 Ų | 73 | 75.2 Ų | 75.2 | 34% | 0.338 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -128.1 | 131.7 | 176.3 | -62 | -41.7 | 0 | 0 | 0 | 110.6 | P92 G93 S170 | P92-H176 HydrophobicContact CB-CB 4.2Å; P92-H176 HydrophobicContact CG-CB 4.4Å; G93-H176 WeakPolarHBondContact CA-CD2 3.23Å; S170-H176 PolarHBondContact O-N 3.39Å |
| 177 | P | 69.7 | Low | 68.8 | Low | 111 Ų | 111 | 75.9 Ų | 75.9 | 72% | 0.721 | 39% | 0.388 | S | S | * | . | trans | -68.7 | 147.8 | 178.9 | 29.7 | -34.4 | 0 | 0 | 0 | 110.7 | ||||
| 178 | A | 75 | Confident | 68.1 | Low | 25 Ų | 25 | 77.6 Ų | 77.6 | 21% | 0.207 | 40% | 0.395 | C | S | . | . | trans | -57.9 | 139 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | T180 Y183 D184 | A178-T180 PolarHBondContact O-N 3.47Å; A178-Y183 HydrophobicContact CB-CD1 4.37Å; A178-D184 HydrophobicContact CB-CB 3.79Å | ||
| 179 | P | 78 | Confident | 67.1 | Low | 35 Ų | 35 | 79.6 Ų | 79.6 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -60.2 | -28.6 | -178.6 | 22 | -36.5 | 0 | 0 | 0 | 113.9 | I90 A95 Y108 Y183 | I90-P179 HydrophobicContact CD1-CG 3.96Å; I90-P179 HydrophobicContact CG2-CG 3.99Å; A95-P179 HydrophobicContact CB-CB 4.16Å; Y108-P179 HydrophobicContact CD1-CB 4.28Å; Y108-P179 HydrophobicContact CE1-CB 3.84Å; P179-Y183 VanDerWaalsContact CD-CD1 3.46Å; P179-Y183 HydrophobicContact CG-CD1 3.54Å; P179-Y183 HydrophobicContact CG-CE1 3.98Å; P179-Y183 HydrophobicContact CG-CG 3.86Å |
| 180 | T | 77.6 | Confident | 66.3 | Low | 50 Ų | 50 | 77.2 Ų | 77.2 | 31% | 0.307 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -143.5 | 161.9 | 175.8 | 71.6 | 0 | 0 | 0 | 0 | 111.2 | Y108 A178 Y182 Y183 D184 | Y108-T180 HydrophobicContact CE2-CG2 4.41Å; Y108-T180 WeakPolarHBondContact OH-CG2 3.4Å; A178-T180 PolarHBondContact O-N 3.47Å; T180-Y182 VanDerWaalsContact C-N 3.29Å; T180-Y182 PolarHBondContact O-N 2.8Å; T180-Y182 PolarHBondContact OG1-N 3.37Å; T180-Y183 WeakPolarHBondContact O-CB 3.48Å; T180-Y183 PolarHBondContact O-N 3.44Å; T180-Y183 WeakPolarHBondContact OG1-CB 3.28Å; T180-Y183 PolarHBondContact OG1-N 2.87Å; T180-D184 PolarHBondContact O-N 2.93Å |
| 181 | K | 74 | Confident | 65.6 | Low | 177 Ų | 177 | 81.1 Ų | 81.1 | 77% | 0.77 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.8 | -35.7 | 172.2 | -70.2 | -171.9 | 177.1 | -174.2 | 0 | 113 | Y183 D184 H185 | K181-Y183 VanDerWaalsContact C-N 3.3Å; K181-D184 WeakPolarHBondContact O-CB 3.48Å; K181-D184 PolarHBondContact O-N 3.22Å; K181-H185 PolarHBondContact O-CD2 3.35Å; K181-H185 PolarHBondContact O-N 2.72Å |
| 182 | Y | 74.4 | Confident | 64.8 | Low | 150 Ų | 150 | 81.8 Ų | 81.8 | 59% | 0.588 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 174.8 | 172.6 | -111 | 0 | 0 | 0 | 110.4 | T180 D184 H185 L186 | T180-Y182 VanDerWaalsContact C-N 3.29Å; T180-Y182 PolarHBondContact O-N 2.8Å; T180-Y182 PolarHBondContact OG1-N 3.37Å; Y182-D184 VanDerWaalsContact C-N 3.33Å; Y182-D184 PolarHBondContact O-N 3.43Å; Y182-H185 WeakPolarHBondContact O-CB 3.46Å; Y182-H185 PolarHBondContact O-N 2.79Å; Y182-L186 HydrophobicContact CD1-CD1 4.19Å; Y182-L186 HydrophobicContact CD1-CG 4.49Å; Y182-L186 HydrophobicContact CE1-CD1 3.58Å; Y182-L186 HydrophobicContact CE1-CD2 4.48Å; Y182-L186 HydrophobicContact CE1-CG 4.09Å; Y182-L186 HydrophobicContact CE2-CD2 4.05Å; Y182-L186 HydrophobicContact CE2-CG 4.27Å; Y182-L186 WeakPolarHBondContact O-CG 3.43Å; Y182-L186 PolarHBondContact O-N 3.13Å |
| 183 | Y | 74.9 | Confident | 64.3 | Low | 1 Ų | 1 | 84 Ų | 84 | 0% | 0.004 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.9 | -34.8 | 177.7 | -152.2 | -106.8 | 0 | 0 | 0 | 112.7 | V89 I90 Q160 P163 A178 P179 T180 K181 H185 L186 Y187 | V89-Y183 WeakPolarHBondContact CG1-OH 3.29Å; I90-Y183 HydrophobicContact CB-CE1 4.1Å; I90-Y183 HydrophobicContact CB-CE2 4.27Å; I90-Y183 HydrophobicContact CD1-CD2 4Å; I90-Y183 HydrophobicContact CD1-CE2 3.75Å; I90-Y183 HydrophobicContact CG1-CE2 4.11Å; I90-Y183 PolarHBondContact N-OH 3.09Å; Q160-Y183 HydrophobicContact CG-CE2 4.27Å; Q160-Y183 VanDerWaalsContact NE2-CE2 3.27Å; P163-Y183 HydrophobicContact CG-CD2 4.26Å; P163-Y183 HydrophobicContact CG-CE1 4.21Å; P163-Y183 HydrophobicContact CG-CE2 3.72Å; A178-Y183 HydrophobicContact CB-CD1 4.37Å; P179-Y183 VanDerWaalsContact CD-CD1 3.46Å; P179-Y183 HydrophobicContact CG-CD1 3.54Å; P179-Y183 HydrophobicContact CG-CE1 3.98Å; P179-Y183 HydrophobicContact CG-CG 3.86Å; T180-Y183 WeakPolarHBondContact O-CB 3.48Å; T180-Y183 PolarHBondContact O-N 3.44Å; T180-Y183 WeakPolarHBondContact OG1-CB 3.28Å; T180-Y183 PolarHBondContact OG1-N 2.87Å; K181-Y183 VanDerWaalsContact C-N 3.3Å; Y183-H185 VanDerWaalsContact C-N 3.34Å; Y183-L186 HydrophobicContact CD2-CD1 4.39Å; Y183-L186 PolarHBondContact O-N 3.31Å; Y183-Y187 AromaticContact CD1-CD2 3.95Å; Y183-Y187 HydrophobicContact CD1-CD2 3.95Å; Y183-Y187 AromaticContact CD1-CE2 3.3Å; Y183-Y187 HydrophobicContact CD1-CE2 3.3Å; Y183-Y187 HydrophobicContact CE1-CD2 4.2Å; Y183-Y187 AromaticContact CE1-CE2 3.16Å; Y183-Y187 HydrophobicContact CE1-CE2 3.16Å; Y183-Y187 AromaticContact CE1-CZ 3.63Å; Y183-Y187 VanDerWaalsContact CE1-OH 3.3Å; Y183-Y187 WeakPolarHBondContact CE1-OH 3.44Å; Y183-Y187 HydrophobicContact CG-CE2 4.36Å; Y183-Y187 WeakPolarHBondContact O-CD2 3.38Å; Y183-Y187 PolarHBondContact O-N 3.03Å; Y183-Y187 PolarHBondContact OH-OH 3.11Å |
| 184 | D | 74.4 | Confident | 63.8 | Low | 67 Ų | 67 | 84.5 Ų | 84.5 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 171 | -167.7 | 40.9 | 0 | 0 | 0 | 111.6 | A178 T180 K181 Y182 Y187 Q188 | A178-D184 HydrophobicContact CB-CB 3.79Å; T180-D184 PolarHBondContact O-N 2.93Å; K181-D184 WeakPolarHBondContact O-CB 3.48Å; K181-D184 PolarHBondContact O-N 3.22Å; Y182-D184 VanDerWaalsContact C-N 3.33Å; Y182-D184 PolarHBondContact O-N 3.43Å; D184-Y187 PolarHBondContact O-N 2.94Å; D184-Q188 VanDerWaalsContact CG-NE2 3.29Å; D184-Q188 VanDerWaalsContact O-CG 3.3Å; D184-Q188 WeakPolarHBondContact O-CG 3.46Å; D184-Q188 PolarHBondContact O-N 3.26Å; D184-Q188 PolarHBondContact OD1-NE2 3.25Å; D184-Q188 PolarHBondContact OD2-NE2 3.28Å; D184-Q188 VanDerWaalsContact OD2-NE2 3.14Å |
| 185 | H | 71 | Confident | 63.5 | Low | 114 Ų | 114 | 84.4 Ų | 84.4 | 53% | 0.528 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 174.8 | -73.8 | -41.1 | 0 | 0 | 0 | 113 | K181 Y182 Y183 Y187 Q188 S189 | K181-H185 PolarHBondContact O-CD2 3.35Å; K181-H185 PolarHBondContact O-N 2.72Å; Y182-H185 WeakPolarHBondContact O-CB 3.46Å; Y182-H185 PolarHBondContact O-N 2.79Å; Y183-H185 VanDerWaalsContact C-N 3.34Å; H185-Y187 VanDerWaalsContact C-N 3.28Å; H185-Y187 PolarHBondContact O-N 2.79Å; H185-Q188 CarbonylContact O-C 3.43Å; H185-Q188 WeakPolarHBondContact O-CA 3.47Å; H185-Q188 PolarHBondContact O-N 3.34Å; H185-S189 WeakPolarHBondContact O-CB 3.32Å; H185-S189 PolarHBondContact O-N 2.66Å; H185-S189 PolarHBondContact O-OG 3.02Å |
| 186 | L | 68.7 | Low | 63.9 | Low | 20 Ų | 20 | 89.3 Ų | 89.3 | 11% | 0.105 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -57.5 | -39.3 | 176.7 | -72.8 | -170.1 | 0 | 0 | 0 | 112.6 | H162 P163 Y182 Y183 Q188 S189 D190 | H162-L186 PolarHBondContact CE1-O 3.37Å; H162-L186 VanDerWaalsContact NE2-CB 3.3Å; H162-L186 WeakPolarHBondContact NE2-CB 3.24Å; H162-L186 WeakPolarHBondContact NE2-CD2 3.28Å; H162-L186 PolarHBondContact NE2-O 3.04Å; P163-L186 HydrophobicContact CG-CB 3.89Å; P163-L186 HydrophobicContact CG-CD1 4.44Å; Y182-L186 HydrophobicContact CD1-CD1 4.19Å; Y182-L186 HydrophobicContact CD1-CG 4.49Å; Y182-L186 HydrophobicContact CE1-CD1 3.58Å; Y182-L186 HydrophobicContact CE1-CD2 4.48Å; Y182-L186 HydrophobicContact CE1-CG 4.09Å; Y182-L186 HydrophobicContact CE2-CD2 4.05Å; Y182-L186 HydrophobicContact CE2-CG 4.27Å; Y182-L186 WeakPolarHBondContact O-CG 3.43Å; Y182-L186 PolarHBondContact O-N 3.13Å; Y183-L186 HydrophobicContact CD2-CD1 4.39Å; Y183-L186 PolarHBondContact O-N 3.31Å; L186-Q188 VanDerWaalsContact C-N 3.29Å; L186-Q188 PolarHBondContact O-N 2.83Å; L186-S189 WeakPolarHBondContact CA-OG 3.48Å; L186-S189 PolarHBondContact O-OG 2.84Å; L186-D190 PolarHBondContact O-N 3.12Å |
| 187 | Y | 66 | Low | 64.4 | Low | 35 Ų | 35 | 88.4 Ų | 88.4 | 14% | 0.137 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -67 | -31.2 | 173.9 | -80.8 | -67.4 | 0 | 0 | 0 | 113.6 | P163 M167 L171 Y183 D184 H185 | P163-Y187 HydrophobicContact CB-CD1 3.63Å; P163-Y187 HydrophobicContact CB-CD2 4.4Å; P163-Y187 HydrophobicContact CB-CE1 3.15Å; P163-Y187 HydrophobicContact CB-CE2 4.01Å; P163-Y187 HydrophobicContact CB-CG 4.2Å; P163-Y187 WeakPolarHBondContact CB-OH 3.38Å; P163-Y187 HydrophobicContact CG-CD1 4.28Å; P163-Y187 HydrophobicContact CG-CD2 4.25Å; P163-Y187 HydrophobicContact CG-CE1 4Å; P163-Y187 HydrophobicContact CG-CE2 3.97Å; P163-Y187 HydrophobicContact CG-CG 4.36Å; M167-Y187 HydrophobicContact SD-CD1 3.88Å; M167-Y187 HydrophobicContact SD-CE1 4.01Å; L171-Y187 HydrophobicContact CB-CE1 4.28Å; L171-Y187 HydrophobicContact CD1-CE1 3.69Å; L171-Y187 HydrophobicContact CD1-CE2 3.7Å; L171-Y187 WeakPolarHBondContact CD1-OH 3.16Å; L171-Y187 HydrophobicContact CD2-CD2 4.15Å; L171-Y187 HydrophobicContact CD2-CE2 3.63Å; L171-Y187 HydrophobicContact CG-CE1 4.43Å; L171-Y187 HydrophobicContact CG-CE2 4.16Å; Y183-Y187 AromaticContact CD1-CD2 3.95Å; Y183-Y187 HydrophobicContact CD1-CD2 3.95Å; Y183-Y187 AromaticContact CD1-CE2 3.3Å; Y183-Y187 HydrophobicContact CD1-CE2 3.3Å; Y183-Y187 HydrophobicContact CE1-CD2 4.2Å; Y183-Y187 AromaticContact CE1-CE2 3.16Å; Y183-Y187 HydrophobicContact CE1-CE2 3.16Å; Y183-Y187 AromaticContact CE1-CZ 3.63Å; Y183-Y187 VanDerWaalsContact CE1-OH 3.3Å; Y183-Y187 WeakPolarHBondContact CE1-OH 3.44Å; Y183-Y187 HydrophobicContact CG-CE2 4.36Å; Y183-Y187 WeakPolarHBondContact O-CD2 3.38Å; Y183-Y187 PolarHBondContact O-N 3.03Å; Y183-Y187 PolarHBondContact OH-OH 3.11Å; D184-Y187 PolarHBondContact O-N 2.94Å; H185-Y187 VanDerWaalsContact C-N 3.28Å; H185-Y187 PolarHBondContact O-N 2.79Å |
| 188 | Q | 63.9 | Low | 65.2 | Low | 123 Ų | 123 | 87.7 Ų | 87.7 | 58% | 0.575 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -82 | -29.3 | -178.7 | -66.9 | 168.5 | 21.6 | 0 | 0 | 112 | D184 H185 L186 | D184-Q188 VanDerWaalsContact CG-NE2 3.29Å; D184-Q188 VanDerWaalsContact O-CG 3.3Å; D184-Q188 WeakPolarHBondContact O-CG 3.46Å; D184-Q188 PolarHBondContact O-N 3.26Å; D184-Q188 PolarHBondContact OD1-NE2 3.25Å; D184-Q188 PolarHBondContact OD2-NE2 3.28Å; D184-Q188 VanDerWaalsContact OD2-NE2 3.14Å; H185-Q188 CarbonylContact O-C 3.43Å; H185-Q188 WeakPolarHBondContact O-CA 3.47Å; H185-Q188 PolarHBondContact O-N 3.34Å; L186-Q188 VanDerWaalsContact C-N 3.29Å; L186-Q188 PolarHBondContact O-N 2.83Å |
| 189 | S | 54.8 | Low | 65.9 | Low | 63 Ų | 63 | 88.9 Ų | 88.9 | 44% | 0.441 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -81.8 | -37.7 | -175.4 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | H185 L186 N191 | H185-S189 WeakPolarHBondContact O-CB 3.32Å; H185-S189 PolarHBondContact O-N 2.66Å; H185-S189 PolarHBondContact O-OG 3.02Å; L186-S189 WeakPolarHBondContact CA-OG 3.48Å; L186-S189 PolarHBondContact O-OG 2.84Å; S189-N191 VanDerWaalsContact C-N 3.25Å; S189-N191 PolarHBondContact O-N 3.19Å |
| 190 | D | 51.1 | Low | 66.6 | Low | 43 Ų | 43 | 90.9 Ų | 90.9 | 23% | 0.23 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 20.9 | -162 | -97.8 | 41.6 | 0 | 0 | 0 | 116.6 | H162 K164 L186 C192 | H162-D190 IonicContact CD2-OD1 2.58Å; H162-D190 IonicContact CD2-OD2 2.84Å; H162-D190 PolarHBondContact CD2-OD2 3.34Å; H162-D190 WeakPolarHBondContact CE1-CB 3.5Å; H162-D190 IonicContact CE1-OD1 2.95Å; H162-D190 PolarHBondContact CE1-OD1 2.87Å; H162-D190 IonicContact CE1-OD2 3.59Å; H162-D190 PolarHBondContact CE1-OD2 3.11Å; H162-D190 IonicContact CG-OD2 3.54Å; H162-D190 VanDerWaalsContact ND1-CG 3.28Å; H162-D190 IonicContact ND1-OD2 2.78Å; H162-D190 PolarHBondContact ND1-OD2 2.98Å; H162-D190 IonicContact NE2-OD1 3.28Å; H162-D190 PolarHBondContact NE2-OD1 3.4Å; H162-D190 IonicContact NE2-OD2 3.76Å; H162-D190 PolarHBondContact NE2-OD2 3.26Å; K164-D190 HydrophobicContact CB-CB 4.21Å; K164-D190 HydrophobicContact CD-CB 4.5Å; K164-D190 WeakPolarHBondContact CD-OD2 3.42Å; K164-D190 WeakPolarHBondContact CE-OD2 3.48Å; K164-D190 IonicContact NZ-OD2 3.78Å; L186-D190 PolarHBondContact O-N 3.12Å; D190-C192 PolarHBondContact O-N 3.14Å |
| 191 | N | 48.8 | Very low | 67.3 | Low | 102 Ų | 102 | 92.7 Ų | 92.7 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -0.6 | 164.3 | -105 | -47.4 | 0 | 0 | 0 | 113 | S189 K285 | S189-N191 VanDerWaalsContact C-N 3.25Å; S189-N191 PolarHBondContact O-N 3.19Å; N191-K285 WeakPolarHBondContact O-CE 3.37Å; N191-K285 PolarHBondContact O-NZ 2.82Å |
| 192 | C | 38.9 | Very low | 68.2 | Low | 33 Ų | 33 | 88.6 Ų | 88.6 | 22% | 0.223 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -138.2 | 135.2 | -173.4 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | D190 D282 | D190-C192 PolarHBondContact O-N 3.14Å; C192-D282 WeakPolarHBondContact SG-CB 3.34Å; C192-D282 VanDerWaalsContact SG-CG 3.55Å; C192-D282 PolarHBondContact SG-OD2 3.41Å |
| 193 | E | 45 | Very low | 69.1 | Low | 151 Ų | 151 | 83.9 Ų | 83.9 | 71% | 0.706 | 41% | 0.41 | S | S | * | . | trans | -54.5 | 145.9 | 167.4 | -68.7 | 177.8 | 174 | 0 | 0 | 110 | R195 | E193-R195 PolarHBondContact O-N 3.39Š| ||
| 194 | D | 45 | Very low | 69.8 | Low | 162 Ų | 162 | 85.3 Ų | 85.3 | 87% | 0.866 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -60.6 | 63.2 | -178.6 | -73.6 | -45.9 | 0 | 0 | 0 | 113.7 | ||
| 195 | R | 51.2 | Low | 70.5 | Confident | 148 Ų | 148 | 83.3 Ų | 83.3 | 56% | 0.558 | 41% | 0.408 | S | S | * | . | trans | -105.5 | 107.4 | 159.8 | -73.2 | -177.6 | -175.4 | 172 | 3 | 106.6 | E193 Y197 E288 | E193-R195 PolarHBondContact O-N 3.39Å; R195-Y197 VanDerWaalsContact C-N 3.33Å; R195-Y197 HydrophobicContact CB-CD2 3.91Å; R195-Y197 HydrophobicContact CB-CE2 3.45Å; R195-Y197 VanDerWaalsContact CB-CE2 3.45Å; R195-Y197 WeakPolarHBondContact CD-OH 3.49Å; R195-Y197 HydrophobicContact CG-CE2 4.45Å; R195-Y197 WeakPolarHBondContact O-CD2 3.32Å; R195-Y197 PolarHBondContact O-N 2.88Å; R195-E288 IonicContact CZ-OE1 3.81Å; R195-E288 IonicContact NH1-OE1 3.27Å; R195-E288 PolarHBondContact NH1-OE1 2.9Å | ||
| 196 | E | 69 | Low | 71.1 | Confident | 193 Ų | 193 | 80.6 Ų | 80.6 | 90% | 0.902 | 40% | 0.398 | S | S | * | . | trans | -64.9 | 96.5 | 168 | -80.5 | -175.4 | 161.5 | 0 | 0 | 108.8 | ||||
| 197 | Y | 80.7 | Confident | 72 | Confident | 54 Ų | 54 | 84.5 Ų | 84.5 | 21% | 0.212 | 43% | 0.427 | C | S | . | . | trans | -82.5 | 127.5 | 169.5 | -74.4 | -85 | 0 | 0 | 0 | 109.5 | R195 N225 T284 W287 E288 | R195-Y197 VanDerWaalsContact C-N 3.33Å; R195-Y197 HydrophobicContact CB-CD2 3.91Å; R195-Y197 HydrophobicContact CB-CE2 3.45Å; R195-Y197 VanDerWaalsContact CB-CE2 3.45Å; R195-Y197 WeakPolarHBondContact CD-OH 3.49Å; R195-Y197 HydrophobicContact CG-CE2 4.45Å; R195-Y197 WeakPolarHBondContact O-CD2 3.32Å; R195-Y197 PolarHBondContact O-N 2.88Å; Y197-N225 WeakPolarHBondContact O-CB 3.4Å; Y197-T284 HydrophobicContact CD1-CG2 4.36Å; Y197-T284 HydrophobicContact CD2-CG2 3.18Å; Y197-T284 HydrophobicContact CE2-CG2 3.74Å; Y197-T284 HydrophobicContact CG-CG2 3.55Å; Y197-W287 AromaticContact CE1-CD1 3.68Å; Y197-E288 VanDerWaalsContact OH-CG 3.31Å; Y197-E288 WeakPolarHBondContact OH-CG 3.32Å; Y197-E288 PolarHBondContact OH-OE1 3.27Å | ||
| 198 | T | 86.9 | Confident | 73.1 | Confident | 96 Ų | 96 | 85.3 Ų | 85.3 | 59% | 0.589 | 43% | 0.433 | S | S | * | . | trans | -92.9 | 138.2 | 164.2 | 52.9 | 0 | 0 | 0 | 0 | 110.2 | N225 | T198-N225 CarbonylContact C-O 3.56Å; T198-N225 WeakPolarHBondContact CA-O 2.79Å | ||
| 199 | F | 89.5 | Confident | 74.5 | Confident | 49 Ų | 49 | 86 Ų | 86 | 22% | 0.215 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 112 | -179.7 | -65.5 | -87.9 | 0 | 0 | 0 | 111.2 | F201 N225 G227 S228 I283 T284 | F199-F201 HydrophobicContact CB-CD2 4.37Å; F199-F201 HydrophobicContact CB-CE2 3.72Å; F199-F201 HydrophobicContact CB-CZ 4.14Å; F199-N225 HydrophobicContact CD2-CB 4.04Å; F199-N225 HydrophobicContact CE2-CB 4.24Å; F199-N225 WeakPolarHBondContact CE2-ND2 3.49Å; F199-N225 PolarHBondContact N-O 3.06Å; F199-G227 PolarHBondContact O-N 2.93Å; F199-S228 PolarHBondContact O-N 3.04Å; F199-I283 HydrophobicContact CD1-CD1 4.49Å; F199-I283 HydrophobicContact CE1-CD1 3.9Å; F199-I283 HydrophobicContact CE1-CG1 3.9Å; F199-I283 HydrophobicContact CZ-CG1 4.43Å; F199-T284 HydrophobicContact CZ-CG2 4.15Å |
| 200 | D | 92 | Very high | 76.4 | Confident | 78 Ų | 78 | 88.9 Ų | 88.9 | 42% | 0.417 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 113.4 | 168.7 | -68.2 | -54 | 0 | 0 | 0 | 110.2 | Y202 S228 | D200-Y202 HydrophobicContact CB-CE2 3.83Å; D200-S228 WeakPolarHBondContact OD1-CB 3.45Å; D200-S228 PolarHBondContact OD1-N 3.34Å; D200-S228 PolarHBondContact OD1-OG 3.34Å |
| 201 | F | 92.9 | Very high | 78.4 | Confident | 87 Ų | 87 | 93 Ų | 93 | 38% | 0.382 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 127.5 | 177.9 | -68.3 | -87.8 | 0 | 0 | 0 | 110.7 | F199 L220 F226 S228 L229 T230 | F199-F201 HydrophobicContact CB-CD2 4.37Å; F199-F201 HydrophobicContact CB-CE2 3.72Å; F199-F201 HydrophobicContact CB-CZ 4.14Å; F201-L220 HydrophobicContact CD2-CD1 3.89Å; F201-L220 HydrophobicContact CD2-CD2 4.46Å; F201-L220 HydrophobicContact CE2-CD1 4.3Å; F201-L220 HydrophobicContact CE2-CD2 4.04Å; F201-L220 HydrophobicContact CG-CD1 4.19Å; F201-L220 HydrophobicContact CZ-CD2 4.27Å; F201-F226 HydrophobicContact CD2-CD2 4.02Å; F201-F226 HydrophobicContact CD2-CE2 4.02Å; F201-F226 HydrophobicContact CE2-CD2 4.2Å; F201-S228 PolarHBondContact N-O 2.88Å; F201-L229 HydrophobicContact CB-CD1 3.68Å; F201-L229 WeakPolarHBondContact O-CA 3.4Å; F201-T230 PolarHBondContact O-N 3.42Å |
| 202 | Y | 93.7 | Very high | 80.6 | Confident | 92 Ų | 92 | 90.2 Ų | 90.2 | 36% | 0.361 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 115.7 | 172.5 | -60.4 | -84.4 | 0 | 0 | 0 | 109.3 | D200 T230 L232 F262 | D200-Y202 HydrophobicContact CB-CE2 3.83Å; Y202-T230 WeakPolarHBondContact CA-O 3.3Å; Y202-T230 HydrophobicContact CD1-CG2 4.21Å; Y202-T230 HydrophobicContact CE1-CG2 4.45Å; Y202-L232 HydrophobicContact CD1-CD1 4.02Å; Y202-L232 HydrophobicContact CD1-CD2 4.37Å; Y202-L232 HydrophobicContact CD1-CG 4.29Å; Y202-L232 HydrophobicContact CG-CD1 4.28Å; Y202-F262 AromaticContact CD1-CE1 3.86Å; Y202-F262 HydrophobicContact CD1-CE1 3.86Å; Y202-F262 AromaticContact CD1-CZ 3.98Å; Y202-F262 HydrophobicContact CD1-CZ 3.98Å; Y202-F262 AromaticContact CD2-CE1 3.94Å; Y202-F262 HydrophobicContact CD2-CE1 3.94Å; Y202-F262 AromaticContact CD2-CZ 3.75Å; Y202-F262 HydrophobicContact CD2-CZ 3.75Å; Y202-F262 AromaticContact CE1-CE1 3.82Å; Y202-F262 HydrophobicContact CE1-CE1 3.82Å; Y202-F262 HydrophobicContact CE1-CZ 4.38Å; Y202-F262 AromaticContact CE2-CE1 3.87Å; Y202-F262 HydrophobicContact CE2-CE1 3.87Å; Y202-F262 HydrophobicContact CE2-CZ 4.14Å; Y202-F262 AromaticContact CG-CE1 3.93Å; Y202-F262 HydrophobicContact CG-CE1 3.93Å; Y202-F262 AromaticContact CG-CZ 3.64Å; Y202-F262 HydrophobicContact CG-CZ 3.64Å; Y202-F262 AromaticContact CZ-CE1 3.82Å |
| 203 | I | 92.8 | Very high | 83.2 | Confident | 50 Ų | 50 | 90 Ų | 90 | 26% | 0.256 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.8 | 178.8 | -62.3 | -175.6 | 0 | 0 | 0 | 108.5 | D205 I208 L216 L229 T230 F231 L232 | I203-D205 PolarHBondContact O-N 3.06Å; I203-D205 VanDerWaalsContact O-N 3.13Å; I203-I208 HydrophobicContact CG2-CD1 3.73Å; I203-L216 HydrophobicContact CD1-CD1 3.96Å; I203-L229 HydrophobicContact CD1-CD1 3.66Å; I203-L229 HydrophobicContact CG1-CD1 3.84Å; I203-T230 PolarHBondContact N-O 3.32Å; I203-F231 HydrophobicContact CB-CD1 3.91Å; I203-F231 HydrophobicContact CB-CE1 4.03Å; I203-F231 HydrophobicContact CD1-CE1 4.01Å; I203-F231 HydrophobicContact CD1-CZ 4.46Å; I203-F231 HydrophobicContact CG2-CD1 4Å; I203-F231 HydrophobicContact CG2-CE1 4.03Å; I203-F231 CarbonylContact O-C 3.54Å; I203-F231 WeakPolarHBondContact O-CA 3.33Å; I203-L232 PolarHBondContact O-N 2.82Å |
| 204 | V | 89.6 | Confident | 85.5 | Confident | 32 Ų | 32 | 87 Ų | 87 | 19% | 0.194 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 108.3 | 168.8 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | L232 I234 F254 I258 L261 | V204-L232 CarbonylContact C-O 3.41Å; V204-L232 WeakPolarHBondContact CA-O 3.05Å; V204-I234 HydrophobicContact CB-CD1 4.5Å; V204-I234 HydrophobicContact CG1-CD1 3.5Å; V204-I234 HydrophobicContact CG1-CG1 3.88Å; V204-I234 HydrophobicContact CG2-CD1 4.15Å; V204-F254 HydrophobicContact CB-CD2 4.43Å; V204-F254 HydrophobicContact CG1-CB 4.16Å; V204-F254 HydrophobicContact CG1-CD2 3.49Å; V204-F254 VanDerWaalsContact CG1-CD2 3.49Å; V204-F254 HydrophobicContact CG1-CE2 4.11Å; V204-F254 HydrophobicContact CG1-CG 3.99Å; V204-I258 HydrophobicContact CG2-CD1 4.41Å; V204-I258 HydrophobicContact CG2-CG1 4.04Å; V204-L261 HydrophobicContact CG2-CD1 4.11Å |
| 205 | D | 89 | Confident | 87.8 | Confident | 25 Ų | 25 | 80.7 Ų | 80.7 | 13% | 0.134 | 41% | 0.405 | C | S | . | . | trans | -82.3 | 114.5 | -178.4 | -179.6 | 5.7 | 0 | 0 | 0 | 110.7 | I203 S207 I208 K213 F231 L232 | I203-D205 PolarHBondContact O-N 3.06Å; I203-D205 VanDerWaalsContact O-N 3.13Å; D205-S207 WeakPolarHBondContact OD1-CA 3.19Å; D205-S207 PolarHBondContact OD1-N 3.41Å; D205-I208 WeakPolarHBondContact OD1-CB 3.46Å; D205-I208 PolarHBondContact OD1-N 3.43Å; D205-K213 IonicContact OD1-NZ 3.1Å; D205-K213 WeakPolarHBondContact OD2-CE 3.32Å; D205-K213 IonicContact OD2-NZ 2.96Å; D205-K213 PolarHBondContact OD2-NZ 2.9Å; D205-F231 HydrophobicContact CB-CB 4.09Å; D205-F231 HydrophobicContact CB-CD1 4.26Å; D205-L232 PolarHBondContact N-O 2.73Å | ||
| 206 | D | 84.6 | Confident | 89.7 | Confident | 57 Ų | 57 | 75.9 Ų | 75.9 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -108.4 | 50.3 | 173.1 | -163.8 | 15.2 | 0 | 0 | 0 | 112.4 | K236 T251 F254 | D206-K236 WeakPolarHBondContact OD1-CE 3.38Å; D206-K236 IonicContact OD1-NZ 3.68Å; D206-K236 PolarHBondContact OD1-NZ 2.9Å; D206-K236 IonicContact OD2-NZ 3.36Å; D206-T251 HydrophobicContact CB-CG2 4.36Å; D206-T251 WeakPolarHBondContact OD2-CG2 3.45Å; D206-F254 HydrophobicContact CB-CE2 3.85Å; D206-F254 HydrophobicContact CB-CZ 4.44Å |
| 207 | S | 86.4 | Confident | 90.7 | Very high | 102 Ų | 102 | 70.3 Ų | 70.3 | 71% | 0.713 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 73.7 | 40.3 | -175 | -32.8 | 0 | 0 | 0 | 0 | 112.7 | D205 E209 | D205-S207 WeakPolarHBondContact OD1-CA 3.19Å; D205-S207 PolarHBondContact OD1-N 3.41Å; S207-E209 PolarHBondContact O-N 3.18Å |
| 208 | I | 88.9 | Confident | 91.2 | Very high | 51 Ų | 51 | 71.9 Ų | 71.9 | 26% | 0.262 | 37% | 0.37 | S | S | . | . | trans | -61.7 | 128.7 | 168 | -58.5 | 173.5 | 0 | 0 | 0 | 107.8 | I203 D205 C212 K213 F231 | I203-I208 HydrophobicContact CG2-CD1 3.73Å; D205-I208 WeakPolarHBondContact OD1-CB 3.46Å; D205-I208 PolarHBondContact OD1-N 3.43Å; I208-C212 HydrophobicContact CG2-CB 3.81Å; I208-K213 HydrophobicContact CB-CG 4.31Å; I208-K213 HydrophobicContact CG2-CG 3.82Å; I208-K213 WeakPolarHBondContact O-CE 3.4Å; I208-K213 PolarHBondContact O-NZ 3.04Å; I208-K213 VanDerWaalsContact O-NZ 3.16Å; I208-F231 HydrophobicContact CD1-CD1 4.36Å; I208-F231 HydrophobicContact CD1-CE1 4.19Å | ||
| 209 | E | 94.5 | Very high | 91.2 | Very high | 139 Ų | 139 | 68.4 Ų | 68.4 | 65% | 0.65 | 35% | 0.349 | S | S | * | . | trans | -60.9 | 143.5 | 178.4 | -65.1 | 179.8 | 175 | 0 | 0 | 111.1 | S207 D211 C212 K213 | S207-E209 PolarHBondContact O-N 3.18Å; E209-D211 VanDerWaalsContact C-N 3.26Å; E209-D211 PolarHBondContact O-N 2.95Å; E209-C212 WeakPolarHBondContact O-CB 3.32Å; E209-C212 PolarHBondContact O-N 3.42Å; E209-K213 PolarHBondContact O-N 3.21Å; E209-K213 VanDerWaalsContact O-N 3.09Å | ||
| 210 | D | 93.8 | Very high | 91.1 | Very high | 122 Ų | 122 | 67.5 Ų | 67.5 | 65% | 0.652 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.5 | -36.2 | -175.1 | -68.2 | -28.6 | 0 | 0 | 0 | 112.4 | C212 K213 E214 | D210-C212 VanDerWaalsContact C-N 3.33Å; D210-C212 PolarHBondContact O-N 2.78Å; D210-K213 WeakPolarHBondContact O-CB 3.39Å; D210-K213 PolarHBondContact O-N 3.33Å; D210-K213 VanDerWaalsContact O-N 3.14Å; D210-K213 IonicContact OD1-NZ 2.72Å; D210-E214 PolarHBondContact O-N 3.18Å |
| 211 | D | 94.6 | Very high | 90.6 | Very high | 130 Ų | 130 | 69.4 Ų | 69.4 | 70% | 0.695 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.1 | -42.4 | 174.6 | -68 | -6.9 | 0 | 0 | 0 | 111.4 | E209 K213 E214 T215 | E209-D211 VanDerWaalsContact C-N 3.26Å; E209-D211 PolarHBondContact O-N 2.95Å; D211-K213 VanDerWaalsContact C-N 3.33Å; D211-K213 PolarHBondContact O-N 2.89Å; D211-E214 PolarHBondContact O-N 2.84Å; D211-T215 PolarHBondContact O-N 3.49Å; D211-T215 PolarHBondContact O-OG1 3.19Å |
| 212 | C | 94.2 | Very high | 89.9 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 30% | 0.297 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.3 | -35.6 | 176.4 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | I208 E209 D210 E214 L216 F439 | I208-C212 HydrophobicContact CG2-CB 3.81Å; E209-C212 WeakPolarHBondContact O-CB 3.32Å; E209-C212 PolarHBondContact O-N 3.42Å; D210-C212 VanDerWaalsContact C-N 3.33Å; D210-C212 PolarHBondContact O-N 2.78Å; C212-E214 VanDerWaalsContact C-N 3.31Å; C212-L216 WeakPolarHBondContact O-CG 3.27Å; C212-L216 PolarHBondContact O-N 3.09Å; C212-F439 HydrophobicContact CB-CE1 4.29Å; C212-F439 HydrophobicContact CB-CZ 4.48Å |
| 213 | K | 93.5 | Very high | 89.1 | Confident | 28 Ų | 28 | 72.5 Ų | 72.5 | 12% | 0.122 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 175.6 | -64 | 177.9 | 177.7 | 154.5 | 0 | 111.1 | D205 I208 E209 D210 D211 L216 R217 F231 | D205-K213 IonicContact OD1-NZ 3.1Å; D205-K213 WeakPolarHBondContact OD2-CE 3.32Å; D205-K213 IonicContact OD2-NZ 2.96Å; D205-K213 PolarHBondContact OD2-NZ 2.9Å; I208-K213 HydrophobicContact CB-CG 4.31Å; I208-K213 HydrophobicContact CG2-CG 3.82Å; I208-K213 WeakPolarHBondContact O-CE 3.4Å; I208-K213 PolarHBondContact O-NZ 3.04Å; I208-K213 VanDerWaalsContact O-NZ 3.16Å; E209-K213 PolarHBondContact O-N 3.21Å; E209-K213 VanDerWaalsContact O-N 3.09Å; D210-K213 WeakPolarHBondContact O-CB 3.39Å; D210-K213 PolarHBondContact O-N 3.33Å; D210-K213 VanDerWaalsContact O-N 3.14Å; D210-K213 IonicContact OD1-NZ 2.72Å; D211-K213 VanDerWaalsContact C-N 3.33Å; D211-K213 PolarHBondContact O-N 2.89Å; K213-L216 WeakPolarHBondContact O-CB 2.88Å; K213-L216 PolarHBondContact O-N 3.45Å; K213-R217 WeakPolarHBondContact O-CG 3.46Å; K213-R217 PolarHBondContact O-N 2.78Å; K213-R217 VanDerWaalsContact O-N 3.13Å; K213-F231 HydrophobicContact CB-CD2 4.48Å; K213-F231 HydrophobicContact CB-CE1 4.3Å; K213-F231 HydrophobicContact CB-CE2 3.72Å; K213-F231 HydrophobicContact CB-CZ 3.61Å; K213-F231 HydrophobicContact CD-CD1 4.34Å; K213-F231 HydrophobicContact CD-CD2 4.19Å; K213-F231 HydrophobicContact CD-CE1 4.37Å; K213-F231 HydrophobicContact CD-CE2 4.22Å; K213-F231 HydrophobicContact CD-CG 4.25Å; K213-F231 HydrophobicContact CD-CZ 4.31Å; K213-F231 HydrophobicContact CG-CD1 4.19Å; K213-F231 HydrophobicContact CG-CD2 4.32Å; K213-F231 HydrophobicContact CG-CE1 3.73Å; K213-F231 HydrophobicContact CG-CE2 3.89Å; K213-F231 HydrophobicContact CG-CG 4.46Å; K213-F231 HydrophobicContact CG-CZ 3.57Å |
| 214 | E | 93.4 | Very high | 88.5 | Confident | 87 Ų | 87 | 79.4 Ų | 79.4 | 41% | 0.407 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.6 | -46.7 | 178.4 | -161.1 | 62.9 | -171.6 | 0 | 0 | 111.5 | D210 D211 C212 L216 R217 E218 | D210-E214 PolarHBondContact O-N 3.18Å; D211-E214 PolarHBondContact O-N 2.84Å; C212-E214 VanDerWaalsContact C-N 3.31Å; E214-L216 PolarHBondContact O-N 3.42Å; E214-R217 WeakPolarHBondContact O-CA 3.08Å; E214-R217 WeakPolarHBondContact O-CB 3.31Å; E214-R217 PolarHBondContact O-N 2.76Å; E214-R217 IonicContact OE2-CZ 3.59Å; E214-R217 IonicContact OE2-NH1 3.72Å; E214-R217 PolarHBondContact OE2-NH1 2.92Å; E214-E218 WeakPolarHBondContact O-CG 3.49Å; E214-E218 PolarHBondContact O-N 3.33Å |
| 215 | T | 92.7 | Very high | 88.2 | Confident | 30 Ų | 30 | 81.3 Ų | 81.3 | 18% | 0.184 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.1 | -33 | 175.5 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | D211 T219 E438 F439 | D211-T215 PolarHBondContact O-N 3.49Å; D211-T215 PolarHBondContact O-OG1 3.19Å; T215-T219 WeakPolarHBondContact O-CB 3.49Å; T215-T219 PolarHBondContact O-N 3.38Å; T215-T219 PolarHBondContact O-OG1 3.32Å; T215-E438 HydrophobicContact CG2-CB 3.65Å; T215-F439 HydrophobicContact CG2-CB 4.33Å; T215-F439 HydrophobicContact CG2-CD1 3.77Å; T215-F439 HydrophobicContact CG2-CD2 3.57Å; T215-F439 HydrophobicContact CG2-CE1 3.87Å; T215-F439 HydrophobicContact CG2-CE2 3.65Å; T215-F439 HydrophobicContact CG2-CG 3.62Å; T215-F439 HydrophobicContact CG2-CZ 3.81Å |
| 216 | L | 91.5 | Very high | 87.9 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 25% | 0.246 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.5 | -43 | 171.2 | -79.8 | 167 | 0 | 0 | 0 | 112.1 | I203 C212 K213 E214 T219 L220 L229 F231 F439 | I203-L216 HydrophobicContact CD1-CD1 3.96Å; C212-L216 WeakPolarHBondContact O-CG 3.27Å; C212-L216 PolarHBondContact O-N 3.09Å; K213-L216 WeakPolarHBondContact O-CB 2.88Å; K213-L216 PolarHBondContact O-N 3.45Å; E214-L216 PolarHBondContact O-N 3.42Å; L216-T219 PolarHBondContact O-N 3.46Å; L216-L220 WeakPolarHBondContact O-CG 3.45Å; L216-L220 PolarHBondContact O-N 3.46Å; L216-L229 HydrophobicContact CB-CD2 3.9Å; L216-F231 HydrophobicContact CD1-CE1 4.16Å; L216-F231 HydrophobicContact CD1-CZ 4.05Å; L216-F439 HydrophobicContact CD2-CE2 3.94Å; L216-F439 HydrophobicContact CD2-CZ 4.34Å; L216-F439 HydrophobicContact CG-CE2 3.94Å; L216-F439 HydrophobicContact CG-CZ 3.92Å |
| 217 | R | 90.3 | Very high | 88 | Confident | 77 Ų | 77 | 81.2 Ų | 81.2 | 29% | 0.291 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 175.7 | -70.5 | -178.8 | -170.7 | 106.4 | 6.1 | 111 | K213 E214 T219 L220 E221 L229 | K213-R217 WeakPolarHBondContact O-CG 3.46Å; K213-R217 PolarHBondContact O-N 2.78Å; K213-R217 VanDerWaalsContact O-N 3.13Å; E214-R217 WeakPolarHBondContact O-CA 3.08Å; E214-R217 WeakPolarHBondContact O-CB 3.31Å; E214-R217 PolarHBondContact O-N 2.76Å; E214-R217 IonicContact OE2-CZ 3.59Å; E214-R217 IonicContact OE2-NH1 3.72Å; E214-R217 PolarHBondContact OE2-NH1 2.92Å; R217-T219 PolarHBondContact O-N 2.97Å; R217-L220 PolarHBondContact O-N 3.31Å; R217-E221 WeakPolarHBondContact O-CG 3.48Å; R217-E221 PolarHBondContact O-N 3.03Å; R217-L229 HydrophobicContact CG-CD2 3.88Å |
| 218 | E | 90.2 | Very high | 88.2 | Confident | 87 Ų | 87 | 78.1 Ų | 78.1 | 41% | 0.407 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58 | -35.8 | 179.3 | -65.4 | 176.1 | 157.9 | 0 | 0 | 112.1 | E214 L220 N222 E438 | E214-E218 WeakPolarHBondContact O-CG 3.49Å; E214-E218 PolarHBondContact O-N 3.33Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 3Å; E218-N222 PolarHBondContact O-ND2 2.76Å; E218-N222 VanDerWaalsContact O-ND2 3.1Å; E218-E438 HydrophobicContact CB-CB 4.37Å; E218-E438 HydrophobicContact CB-CG 3.81Å |
| 219 | T | 86.9 | Confident | 88.4 | Confident | 22 Ų | 22 | 76.8 Ų | 76.8 | 14% | 0.135 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 174.7 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | T215 L216 R217 F223 T437 E438 | T215-T219 WeakPolarHBondContact O-CB 3.49Å; T215-T219 PolarHBondContact O-N 3.38Å; T215-T219 PolarHBondContact O-OG1 3.32Å; L216-T219 PolarHBondContact O-N 3.46Å; R217-T219 PolarHBondContact O-N 2.97Å; T219-F223 WeakPolarHBondContact O-CD2 3.06Å; T219-F223 WeakPolarHBondContact O-CE2 3.47Å; T219-T437 HydrophobicContact CG2-CG2 4.23Å; T219-E438 PolarHBondContact OG1-N 3.09Å; T219-E438 VanDerWaalsContact OG1-N 3.11Å |
| 220 | L | 86.9 | Confident | 88.3 | Confident | 30 Ų | 30 | 72.6 Ų | 72.6 | 16% | 0.157 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -91.3 | -33.1 | -173.7 | -64.6 | 176.1 | 0 | 0 | 0 | 114.1 | F201 L216 R217 E218 N222 F223 F226 L229 | F201-L220 HydrophobicContact CD2-CD1 3.89Å; F201-L220 HydrophobicContact CD2-CD2 4.46Å; F201-L220 HydrophobicContact CE2-CD1 4.3Å; F201-L220 HydrophobicContact CE2-CD2 4.04Å; F201-L220 HydrophobicContact CG-CD1 4.19Å; F201-L220 HydrophobicContact CZ-CD2 4.27Å; L216-L220 WeakPolarHBondContact O-CG 3.45Å; L216-L220 PolarHBondContact O-N 3.46Å; R217-L220 PolarHBondContact O-N 3.31Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-L220 PolarHBondContact O-N 3Å; L220-N222 PolarHBondContact O-N 3.32Å; L220-F223 WeakPolarHBondContact O-CD2 3.22Å; L220-F223 PolarHBondContact O-N 3.31Å; L220-F226 HydrophobicContact CB-CD1 4.41Å; L220-F226 HydrophobicContact CB-CD2 3.77Å; L220-F226 HydrophobicContact CB-CE1 4.34Å; L220-F226 HydrophobicContact CB-CE2 3.69Å; L220-F226 HydrophobicContact CB-CG 4.12Å; L220-F226 HydrophobicContact CB-CZ 3.99Å; L220-F226 HydrophobicContact CD1-CD2 4.31Å; L220-F226 HydrophobicContact CD1-CE2 3.76Å; L220-F226 HydrophobicContact CD1-CZ 4.39Å; L220-F226 HydrophobicContact CG-CE2 4.34Å; L220-F226 WeakPolarHBondContact O-CB 3.3Å; L220-L229 HydrophobicContact CD1-CB 4.21Å; L220-L229 HydrophobicContact CD1-CD1 4.33Å; L220-L229 HydrophobicContact CD1-CD2 3.99Å; L220-L229 HydrophobicContact CD1-CG 4.39Å |
| 221 | E | 83.3 | Confident | 88.3 | Confident | 118 Ų | 118 | 68.6 Ų | 68.6 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.6 | -172.9 | -78.3 | 175.6 | -177.7 | 0 | 0 | 114.4 | R217 F223 F226 | R217-E221 WeakPolarHBondContact O-CG 3.48Å; R217-E221 PolarHBondContact O-N 3.03Å; E221-F223 VanDerWaalsContact C-N 3.33Å; E221-F226 HydrophobicContact CG-CD1 4.37Å; E221-F226 HydrophobicContact CG-CE1 3.9Å |
| 222 | N | 76.3 | Confident | 88.1 | Confident | 129 Ų | 129 | 63.2 Ų | 63.2 | 69% | 0.69 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.3 | 177.4 | -67 | -59.1 | 0 | 0 | 0 | 114 | E218 L220 | E218-N222 PolarHBondContact O-ND2 2.76Å; E218-N222 VanDerWaalsContact O-ND2 3.1Å; L220-N222 PolarHBondContact O-N 3.32Å |
| 223 | F | 78.9 | Confident | 87.7 | Confident | 115 Ų | 115 | 66.2 Ų | 66.2 | 50% | 0.504 | 34% | 0.341 | S | S | . | . | trans | -94.1 | 128.2 | 179.7 | -69.6 | -86.9 | 0 | 0 | 0 | 111.3 | T219 L220 E221 N225 F226 | T219-F223 WeakPolarHBondContact O-CD2 3.06Å; T219-F223 WeakPolarHBondContact O-CE2 3.47Å; L220-F223 WeakPolarHBondContact O-CD2 3.22Å; L220-F223 PolarHBondContact O-N 3.31Å; E221-F223 VanDerWaalsContact C-N 3.33Å; F223-N225 PolarHBondContact O-N 3.23Å; F223-F226 HydrophobicContact CB-CB 4.24Å; F223-F226 VanDerWaalsContact O-CB 3.25Å; F223-F226 WeakPolarHBondContact O-CB 3.24Å; F223-F226 PolarHBondContact O-N 3.03Å | ||
| 224 | E | 79 | Confident | 87.2 | Confident | 195 Ų | 195 | 65.7 Ų | 65.7 | 91% | 0.911 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.6 | -175.8 | -174.6 | 168.9 | -159.1 | 0 | 0 | 113.3 | ||
| 225 | N | 82.5 | Confident | 86.5 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 39% | 0.39 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 8.9 | 179.1 | 58.3 | -10.5 | 0 | 0 | 0 | 113.7 | Y197 T198 F199 F223 G227 | Y197-N225 WeakPolarHBondContact O-CB 3.4Å; T198-N225 CarbonylContact C-O 3.56Å; T198-N225 WeakPolarHBondContact CA-O 2.79Å; F199-N225 HydrophobicContact CD2-CB 4.04Å; F199-N225 HydrophobicContact CE2-CB 4.24Å; F199-N225 WeakPolarHBondContact CE2-ND2 3.49Å; F199-N225 PolarHBondContact N-O 3.06Å; F223-N225 PolarHBondContact O-N 3.23Å; N225-G227 PolarHBondContact O-N 2.71Å |
| 226 | F | 83.6 | Confident | 85.7 | Confident | 42 Ų | 42 | 70.3 Ų | 70.3 | 18% | 0.184 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 121 | 174.6 | 174 | -120.1 | 0 | 0 | 0 | 110.7 | F201 L220 E221 F223 S228 L229 | F201-F226 HydrophobicContact CD2-CD2 4.02Å; F201-F226 HydrophobicContact CD2-CE2 4.02Å; F201-F226 HydrophobicContact CE2-CD2 4.2Å; L220-F226 HydrophobicContact CB-CD1 4.41Å; L220-F226 HydrophobicContact CB-CD2 3.77Å; L220-F226 HydrophobicContact CB-CE1 4.34Å; L220-F226 HydrophobicContact CB-CE2 3.69Å; L220-F226 HydrophobicContact CB-CG 4.12Å; L220-F226 HydrophobicContact CB-CZ 3.99Å; L220-F226 HydrophobicContact CD1-CD2 4.31Å; L220-F226 HydrophobicContact CD1-CE2 3.76Å; L220-F226 HydrophobicContact CD1-CZ 4.39Å; L220-F226 HydrophobicContact CG-CE2 4.34Å; L220-F226 WeakPolarHBondContact O-CB 3.3Å; E221-F226 HydrophobicContact CG-CD1 4.37Å; E221-F226 HydrophobicContact CG-CE1 3.9Å; F223-F226 HydrophobicContact CB-CB 4.24Å; F223-F226 VanDerWaalsContact O-CB 3.25Å; F223-F226 WeakPolarHBondContact O-CB 3.24Å; F223-F226 PolarHBondContact O-N 3.03Å; F226-S228 VanDerWaalsContact CE2-O 3.3Å; F226-S228 WeakPolarHBondContact CE2-O 3.39Å; F226-S228 VanDerWaalsContact CZ-C 3.46Å; F226-L229 HydrophobicContact CE2-CB 3.96Å; F226-L229 HydrophobicContact CZ-CB 3.78Å |
| 227 | G | 86 | Confident | 84.8 | Confident | 38 Ų | 38 | 70.5 Ų | 70.5 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -69.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F199 N225 | F199-G227 PolarHBondContact O-N 2.93Å; N225-G227 PolarHBondContact O-N 2.71Å |
| 228 | S | 91.8 | Very high | 83.9 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 160.1 | -178.9 | 69.1 | 0 | 0 | 0 | 0 | 112.9 | F199 D200 F201 F226 | F199-S228 PolarHBondContact O-N 3.04Å; D200-S228 WeakPolarHBondContact OD1-CB 3.45Å; D200-S228 PolarHBondContact OD1-N 3.34Å; D200-S228 PolarHBondContact OD1-OG 3.34Å; F201-S228 PolarHBondContact N-O 2.88Å; F226-S228 VanDerWaalsContact CE2-O 3.3Å; F226-S228 WeakPolarHBondContact CE2-O 3.39Å; F226-S228 VanDerWaalsContact CZ-C 3.46Å |
| 229 | L | 92.3 | Very high | 82.9 | Confident | 22 Ų | 22 | 66.6 Ų | 66.6 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 112.4 | 168.7 | 173.9 | 60.5 | 0 | 0 | 0 | 109.3 | F201 I203 L216 R217 L220 F226 F231 | F201-L229 HydrophobicContact CB-CD1 3.68Å; F201-L229 WeakPolarHBondContact O-CA 3.4Å; I203-L229 HydrophobicContact CD1-CD1 3.66Å; I203-L229 HydrophobicContact CG1-CD1 3.84Å; L216-L229 HydrophobicContact CB-CD2 3.9Å; R217-L229 HydrophobicContact CG-CD2 3.88Å; L220-L229 HydrophobicContact CD1-CB 4.21Å; L220-L229 HydrophobicContact CD1-CD1 4.33Å; L220-L229 HydrophobicContact CD1-CD2 3.99Å; L220-L229 HydrophobicContact CD1-CG 4.39Å; F226-L229 HydrophobicContact CE2-CB 3.96Å; F226-L229 HydrophobicContact CZ-CB 3.78Å; L229-F231 HydrophobicContact CD1-CZ 4.44Å; L229-F231 HydrophobicContact CD2-CE2 3.81Å; L229-F231 HydrophobicContact CD2-CZ 3.79Å; L229-F231 HydrophobicContact CG-CE2 3.9Å; L229-F231 HydrophobicContact CG-CZ 4.15Å |
| 230 | T | 93.3 | Very high | 81.6 | Confident | 52 Ų | 52 | 73.7 Ų | 73.7 | 32% | 0.319 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.9 | 179.9 | -60.6 | 0 | 0 | 0 | 0 | 111 | F201 Y202 I203 L232 | F201-T230 PolarHBondContact O-N 3.42Å; Y202-T230 WeakPolarHBondContact CA-O 3.3Å; Y202-T230 HydrophobicContact CD1-CG2 4.21Å; Y202-T230 HydrophobicContact CE1-CG2 4.45Å; I203-T230 PolarHBondContact N-O 3.32Å; T230-L232 HydrophobicContact CG2-CD2 3.83Å; T230-L232 HydrophobicContact CG2-CG 4.4Å |
| 231 | F | 92.8 | Very high | 80.1 | Confident | 38 Ų | 38 | 78 Ų | 78 | 17% | 0.167 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.7 | 170.3 | -66.4 | -84 | 0 | 0 | 0 | 109.5 | I203 D205 I208 K213 L216 L229 | I203-F231 HydrophobicContact CB-CD1 3.91Å; I203-F231 HydrophobicContact CB-CE1 4.03Å; I203-F231 HydrophobicContact CD1-CE1 4.01Å; I203-F231 HydrophobicContact CD1-CZ 4.46Å; I203-F231 HydrophobicContact CG2-CD1 4Å; I203-F231 HydrophobicContact CG2-CE1 4.03Å; I203-F231 CarbonylContact O-C 3.54Å; I203-F231 WeakPolarHBondContact O-CA 3.33Å; D205-F231 HydrophobicContact CB-CB 4.09Å; D205-F231 HydrophobicContact CB-CD1 4.26Å; I208-F231 HydrophobicContact CD1-CD1 4.36Å; I208-F231 HydrophobicContact CD1-CE1 4.19Å; K213-F231 HydrophobicContact CB-CD2 4.48Å; K213-F231 HydrophobicContact CB-CE1 4.3Å; K213-F231 HydrophobicContact CB-CE2 3.72Å; K213-F231 HydrophobicContact CB-CZ 3.61Å; K213-F231 HydrophobicContact CD-CD1 4.34Å; K213-F231 HydrophobicContact CD-CD2 4.19Å; K213-F231 HydrophobicContact CD-CE1 4.37Å; K213-F231 HydrophobicContact CD-CE2 4.22Å; K213-F231 HydrophobicContact CD-CG 4.25Å; K213-F231 HydrophobicContact CD-CZ 4.31Å; K213-F231 HydrophobicContact CG-CD1 4.19Å; K213-F231 HydrophobicContact CG-CD2 4.32Å; K213-F231 HydrophobicContact CG-CE1 3.73Å; K213-F231 HydrophobicContact CG-CE2 3.89Å; K213-F231 HydrophobicContact CG-CG 4.46Å; K213-F231 HydrophobicContact CG-CZ 3.57Å; L216-F231 HydrophobicContact CD1-CE1 4.16Å; L216-F231 HydrophobicContact CD1-CZ 4.05Å; L229-F231 HydrophobicContact CD1-CZ 4.44Å; L229-F231 HydrophobicContact CD2-CE2 3.81Å; L229-F231 HydrophobicContact CD2-CZ 3.79Å; L229-F231 HydrophobicContact CG-CE2 3.9Å; L229-F231 HydrophobicContact CG-CZ 4.15Å |
| 232 | L | 90.6 | Very high | 78.9 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 8% | 0.084 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 138.7 | 179.6 | -60.4 | 176.1 | 0 | 0 | 0 | 109.9 | Y202 I203 V204 D205 T230 L261 F262 | Y202-L232 HydrophobicContact CD1-CD1 4.02Å; Y202-L232 HydrophobicContact CD1-CD2 4.37Å; Y202-L232 HydrophobicContact CD1-CG 4.29Å; Y202-L232 HydrophobicContact CG-CD1 4.28Å; I203-L232 PolarHBondContact O-N 2.82Å; V204-L232 CarbonylContact C-O 3.41Å; V204-L232 WeakPolarHBondContact CA-O 3.05Å; D205-L232 PolarHBondContact N-O 2.73Å; T230-L232 HydrophobicContact CG2-CD2 3.83Å; T230-L232 HydrophobicContact CG2-CG 4.4Å; L232-L261 HydrophobicContact CB-CD1 4.07Å; L232-L261 HydrophobicContact CD1-CB 4.15Å; L232-L261 HydrophobicContact CD1-CD1 3.9Å; L232-F262 HydrophobicContact CD1-CZ 4.15Å |
| 233 | T | 86.3 | Confident | 77.7 | Confident | 107 Ų | 107 | 70 Ų | 70 | 66% | 0.656 | 37% | 0.372 | S | S | * | . | trans | -105.6 | 137.2 | 174.3 | 43.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 234 | I | 83.4 | Confident | 76.3 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 9% | 0.092 | 37% | 0.373 | C | S | . | . | trans | -103.2 | 133.5 | 170.8 | -64.3 | 172.5 | 0 | 0 | 0 | 108.4 | V204 K236 F239 F254 E257 L261 | V204-I234 HydrophobicContact CB-CD1 4.5Å; V204-I234 HydrophobicContact CG1-CD1 3.5Å; V204-I234 HydrophobicContact CG1-CG1 3.88Å; V204-I234 HydrophobicContact CG2-CD1 4.15Å; I234-K236 PolarHBondContact O-N 3.13Å; I234-K236 VanDerWaalsContact O-N 3.08Å; I234-F239 HydrophobicContact CG2-CE2 3.58Å; I234-F239 HydrophobicContact CG2-CZ 3.77Å; I234-F254 HydrophobicContact CD1-CB 3.59Å; I234-F254 HydrophobicContact CD1-CD1 3.84Å; I234-F254 HydrophobicContact CD1-CD2 4.38Å; I234-F254 HydrophobicContact CD1-CG 3.68Å; I234-E257 HydrophobicContact CD1-CB 4.08Å; I234-E257 HydrophobicContact CD1-CG 4.38Å; I234-E257 HydrophobicContact CG1-CG 4.49Å; I234-E257 HydrophobicContact CG2-CG 4.1Å; I234-L261 HydrophobicContact CD1-CD1 4.2Å; I234-L261 HydrophobicContact CG1-CD1 3.82Å; I234-L261 HydrophobicContact CG1-CD2 4.06Å; I234-L261 HydrophobicContact CG1-CG 4.4Å | ||
| 235 | D | 78.9 | Confident | 74.7 | Confident | 107 Ų | 107 | 61.8 Ų | 61.8 | 57% | 0.572 | 35% | 0.347 | S | S | * | . | trans | -68.2 | 107.9 | 169.6 | -174.3 | -3.1 | 0 | 0 | 0 | 109.7 | A237 I238 | D235-A237 PolarHBondContact O-N 2.78Å; D235-A237 WeakPolarHBondContact OD1-CB 3.26Å; D235-A237 PolarHBondContact OD1-N 2.75Å; D235-I238 HydrophobicContact CB-CD1 4.19Å; D235-I238 HydrophobicContact CB-CG1 4.33Å; D235-I238 WeakPolarHBondContact O-CB 3.39Å; D235-I238 VanDerWaalsContact O-CG1 3.31Å; D235-I238 WeakPolarHBondContact O-CG1 3.2Å; D235-I238 PolarHBondContact O-N 2.94Å; D235-I238 VanDerWaalsContact O-N 3.09Å | ||
| 236 | K | 75.6 | Confident | 72.7 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 47% | 0.465 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -60.9 | -17.7 | 179 | -64 | -175.7 | -178.9 | -177.6 | 0 | 113.2 | D206 I234 I238 F239 | D206-K236 WeakPolarHBondContact OD1-CE 3.38Å; D206-K236 IonicContact OD1-NZ 3.68Å; D206-K236 PolarHBondContact OD1-NZ 2.9Å; D206-K236 IonicContact OD2-NZ 3.36Å; I234-K236 PolarHBondContact O-N 3.13Å; I234-K236 VanDerWaalsContact O-N 3.08Å; K236-I238 PolarHBondContact O-N 2.81Å; K236-F239 PolarHBondContact O-N 3.39Å; K236-F239 VanDerWaalsContact O-N 3.13Å |
| 237 | A | 72.5 | Confident | 70.6 | Confident | 51 Ų | 51 | 75.5 Ų | 75.5 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -61.2 | -24.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D235 F239 K240 | D235-A237 PolarHBondContact O-N 2.78Å; D235-A237 WeakPolarHBondContact OD1-CB 3.26Å; D235-A237 PolarHBondContact OD1-N 2.75Å; A237-F239 PolarHBondContact O-N 3.04Å; A237-K240 WeakPolarHBondContact O-CB 3.46Å; A237-K240 PolarHBondContact O-N 2.73Å |
| 238 | I | 70.7 | Confident | 69 | Low | 76 Ų | 76 | 74.5 Ų | 74.5 | 39% | 0.39 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -61.9 | -30.3 | 176.6 | -58.9 | 169.1 | 0 | 0 | 0 | 110.8 | D235 K236 K240 | D235-I238 HydrophobicContact CB-CD1 4.19Å; D235-I238 HydrophobicContact CB-CG1 4.33Å; D235-I238 WeakPolarHBondContact O-CB 3.39Å; D235-I238 VanDerWaalsContact O-CG1 3.31Å; D235-I238 WeakPolarHBondContact O-CG1 3.2Å; D235-I238 PolarHBondContact O-N 2.94Å; D235-I238 VanDerWaalsContact O-N 3.09Å; K236-I238 PolarHBondContact O-N 2.81Å; I238-K240 PolarHBondContact O-N 3.23Å |
| 239 | F | 69.2 | Low | 67.3 | Low | 6 Ų | 6 | 76.7 Ų | 76.7 | 3% | 0.026 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -86.7 | 2.5 | -179 | -51.3 | -67.5 | 0 | 0 | 0 | 114.6 | I234 K236 A237 N241 V242 F254 F343 | I234-F239 HydrophobicContact CG2-CE2 3.58Å; I234-F239 HydrophobicContact CG2-CZ 3.77Å; K236-F239 PolarHBondContact O-N 3.39Å; K236-F239 VanDerWaalsContact O-N 3.13Å; A237-F239 PolarHBondContact O-N 3.04Å; F239-N241 PolarHBondContact O-N 3.38Å; F239-N241 VanDerWaalsContact O-N 3.16Å; F239-V242 HydrophobicContact CB-CG2 4.42Å; F239-V242 PolarHBondContact O-N 2.98Å; F239-F254 HydrophobicContact CD2-CE1 4.2Å; F239-F254 HydrophobicContact CE1-CD1 4.48Å; F239-F254 AromaticContact CE2-CD1 3.61Å; F239-F254 HydrophobicContact CE2-CD1 3.61Å; F239-F254 AromaticContact CE2-CE1 3.45Å; F239-F254 HydrophobicContact CE2-CE1 3.45Å; F239-F254 VanDerWaalsContact CE2-CE1 3.45Å; F239-F254 AromaticContact CZ-CD1 3.53Å; F239-F254 HydrophobicContact CZ-CD1 3.53Å; F239-F254 AromaticContact CZ-CE1 3.9Å; F239-F254 HydrophobicContact CZ-CE1 3.9Å; F239-F343 AromaticContact CD1-CE1 3.91Å; F239-F343 HydrophobicContact CD1-CE1 3.91Å; F239-F343 AromaticContact CD1-CZ 3.99Å; F239-F343 HydrophobicContact CD1-CZ 3.99Å; F239-F343 AromaticContact CE1-CE1 3.91Å; F239-F343 HydrophobicContact CE1-CE1 3.91Å; F239-F343 AromaticContact CE1-CZ 3.58Å; F239-F343 HydrophobicContact CE1-CZ 3.58Å |
| 240 | K | 60.9 | Low | 65.9 | Low | 171 Ų | 171 | 77.2 Ų | 77.2 | 74% | 0.743 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31 | -171.6 | -107.2 | -178.4 | 174.7 | 175.6 | 0 | 114.8 | A237 I238 | A237-K240 WeakPolarHBondContact O-CB 3.46Å; A237-K240 PolarHBondContact O-N 2.73Å; I238-K240 PolarHBondContact O-N 3.23Å |
| 241 | N | 55.5 | Low | 64.6 | Low | 120 Ų | 120 | 77.6 Ų | 77.6 | 64% | 0.642 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -4.2 | -179 | -62.9 | -13.1 | 0 | 0 | 0 | 112.8 | F239 | F239-N241 PolarHBondContact O-N 3.38Å; F239-N241 VanDerWaalsContact O-N 3.16Å |
| 242 | V | 56.1 | Low | 63.2 | Low | 9 Ų | 9 | 76.5 Ų | 76.5 | 6% | 0.055 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -85.2 | 133.6 | 179.2 | -163.3 | 0 | 0 | 0 | 0 | 107.5 | F239 T244 Y253 F343 I346 | F239-V242 HydrophobicContact CB-CG2 4.42Å; F239-V242 PolarHBondContact O-N 2.98Å; V242-T244 PolarHBondContact O-N 3.18Å; V242-Y253 HydrophobicContact CG1-CD2 4.35Å; V242-Y253 HydrophobicContact CG1-CE2 4.03Å; V242-F343 HydrophobicContact CG1-CD1 4.36Å; V242-F343 HydrophobicContact CG2-CD1 3.65Å; V242-F343 HydrophobicContact CG2-CE1 4.1Å; V242-F343 HydrophobicContact CG2-CG 4.47Å; V242-I346 HydrophobicContact CG1-CB 4.27Å; V242-I346 HydrophobicContact CG1-CD1 4.45Å; V242-I346 HydrophobicContact CG1-CG2 3.44Å; V242-I346 VanDerWaalsContact CG1-CG2 3.44Å |
| 243 | V | 51.7 | Low | 62.6 | Low | 70 Ų | 70 | 75.9 Ų | 75.9 | 42% | 0.424 | 41% | 0.409 | S | S | . | . | trans | -59.5 | 96.3 | -178.3 | -177.9 | 0 | 0 | 0 | 0 | 110 | P350 | V243-P350 HydrophobicContact CB-CB 4.36Å; V243-P350 HydrophobicContact CG2-CB 3.73Å; V243-P350 HydrophobicContact CG2-CG 4.27Å | ||
| 244 | T | 50 | Low | 62.6 | Low | 86 Ų | 86 | 71.5 Ų | 71.5 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | trans | -91.9 | 97.2 | 170 | 40.9 | 0 | 0 | 0 | 0 | 106.7 | V242 | V242-T244 PolarHBondContact O-N 3.18Š| ||
| 245 | S | 44.8 | Very low | 62.9 | Low | 52 Ų | 52 | 71.7 Ų | 71.7 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | trans | -93.7 | 160.1 | 166.5 | 74.2 | 0 | 0 | 0 | 0 | 109 | R247 I248 | S245-R247 PolarHBondContact O-N 3.37Å; S245-R247 PolarHBondContact OG-N 3.19Å; S245-I248 PolarHBondContact O-N 3.28Å | ||
| 246 | D | 41.3 | Very low | 63.5 | Low | 180 Ų | 180 | 66.6 Ų | 66.6 | 96% | 0.963 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -9 | 171.7 | -64.8 | -33.6 | 0 | 0 | 0 | 114.2 | ||
| 247 | R | 38.7 | Very low | 64.3 | Low | 222 Ų | 222 | 62.5 Ų | 62.5 | 84% | 0.838 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -8.2 | -177.2 | -63.7 | -176.1 | 178.6 | 179.1 | 0.7 | 115.2 | S245 | S245-R247 PolarHBondContact O-N 3.37Å; S245-R247 PolarHBondContact OG-N 3.19Å |
| 248 | I | 52.8 | Low | 65.2 | Low | 18 Ų | 18 | 61.1 Ų | 61.1 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -134.5 | 106.3 | -174 | -43.7 | 166.4 | 0 | 0 | 0 | 109.4 | S245 A250 A252 Y253 H356 | S245-I248 PolarHBondContact O-N 3.28Å; I248-A250 PolarHBondContact O-N 3.03Å; I248-A252 HydrophobicContact CG2-CB 4.2Å; I248-Y253 HydrophobicContact CG2-CE2 4.01Å; I248-H356 WeakPolarHBondContact CD1-CE1 3.04Å; I248-H356 WeakPolarHBondContact CD1-ND1 3.37Å; I248-H356 VanDerWaalsContact CG1-CE1 3.45Å; I248-H356 WeakPolarHBondContact CG1-CE1 3.45Å; I248-H356 HydrophobicContact CG2-CB 4.17Å |
| 249 | P | 57.1 | Low | 66.3 | Low | 83 Ų | 83 | 57.5 Ų | 57.5 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | trans | -63.9 | 136.9 | 176.4 | 26.9 | -31.8 | 0 | 0 | 0 | 109.3 | T251 A252 | P249-T251 PolarHBondContact O-N 3.41Å; P249-A252 WeakPolarHBondContact O-CB 3.42Å; P249-A252 PolarHBondContact O-N 3.04Å | ||
| 250 | A | 62.7 | Low | 67.4 | Low | 32 Ų | 32 | 58.7 Ų | 58.7 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -26.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I248 A252 Y253 F254 | I248-A250 PolarHBondContact O-N 3.03Å; A250-A252 PolarHBondContact O-N 2.87Å; A250-Y253 PolarHBondContact O-N 2.85Å; A250-F254 HydrophobicContact CB-CE1 4.33Å; A250-F254 WeakPolarHBondContact O-CD1 3.35Å; A250-F254 WeakPolarHBondContact O-CE1 3.42Å |
| 251 | T | 64.7 | Low | 68.9 | Low | 60 Ų | 60 | 52.1 Ų | 52.1 | 37% | 0.368 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.6 | -27.7 | 176.3 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | D206 P249 Y253 F254 | D206-T251 HydrophobicContact CB-CG2 4.36Å; D206-T251 WeakPolarHBondContact OD2-CG2 3.45Å; P249-T251 PolarHBondContact O-N 3.41Å; T251-Y253 PolarHBondContact O-N 3.44Å; T251-F254 HydrophobicContact CG2-CD2 4.02Å; T251-F254 HydrophobicContact CG2-CE2 3.43Å; T251-F254 VanDerWaalsContact CG2-CE2 3.43Å; T251-F254 HydrophobicContact CG2-CZ 3.96Å; T251-F254 WeakPolarHBondContact O-CB 3.39Å; T251-F254 PolarHBondContact O-N 2.84Å |
| 252 | A | 64.5 | Low | 70.7 | Confident | 16 Ų | 16 | 46.7 Ų | 46.7 | 13% | 0.132 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -32.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I248 P249 A250 R255 | I248-A252 HydrophobicContact CG2-CB 4.2Å; P249-A252 WeakPolarHBondContact O-CB 3.42Å; P249-A252 PolarHBondContact O-N 3.04Å; A250-A252 PolarHBondContact O-N 2.87Å; A252-R255 PolarHBondContact O-NE 2.77Å |
| 253 | Y | 78.1 | Confident | 72.4 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -86.5 | -10.6 | -179.8 | -59.8 | -57 | 0 | 0 | 0 | 113.7 | V242 I248 A250 T251 R255 I256 I346 H356 D357 | V242-Y253 HydrophobicContact CG1-CD2 4.35Å; V242-Y253 HydrophobicContact CG1-CE2 4.03Å; I248-Y253 HydrophobicContact CG2-CE2 4.01Å; A250-Y253 PolarHBondContact O-N 2.85Å; T251-Y253 PolarHBondContact O-N 3.44Å; Y253-R255 PolarHBondContact O-N 2.82Å; Y253-I256 HydrophobicContact CD1-CD1 3.69Å; Y253-I256 HydrophobicContact CG-CD1 4.46Å; Y253-I256 WeakPolarHBondContact O-CB 3.34Å; Y253-I256 PolarHBondContact O-N 2.51Å; Y253-I346 HydrophobicContact CD1-CD1 3.98Å; Y253-I346 HydrophobicContact CE1-CD1 3.75Å; Y253-H356 HydrophobicContact CE1-CB 4.41Å; Y253-D357 HydrophobicContact CD1-CB 4.09Å; Y253-D357 HydrophobicContact CE1-CB 4.38Å |
| 254 | F | 85.5 | Confident | 74.1 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -35.1 | 178.1 | -66.9 | -7.1 | 0 | 0 | 0 | 111.7 | V204 D206 I234 F239 A250 T251 I256 E257 I258 | V204-F254 HydrophobicContact CB-CD2 4.43Å; V204-F254 HydrophobicContact CG1-CB 4.16Å; V204-F254 HydrophobicContact CG1-CD2 3.49Å; V204-F254 VanDerWaalsContact CG1-CD2 3.49Å; V204-F254 HydrophobicContact CG1-CE2 4.11Å; V204-F254 HydrophobicContact CG1-CG 3.99Å; D206-F254 HydrophobicContact CB-CE2 3.85Å; D206-F254 HydrophobicContact CB-CZ 4.44Å; I234-F254 HydrophobicContact CD1-CB 3.59Å; I234-F254 HydrophobicContact CD1-CD1 3.84Å; I234-F254 HydrophobicContact CD1-CD2 4.38Å; I234-F254 HydrophobicContact CD1-CG 3.68Å; F239-F254 HydrophobicContact CD2-CE1 4.2Å; F239-F254 HydrophobicContact CE1-CD1 4.48Å; F239-F254 AromaticContact CE2-CD1 3.61Å; F239-F254 HydrophobicContact CE2-CD1 3.61Å; F239-F254 AromaticContact CE2-CE1 3.45Å; F239-F254 HydrophobicContact CE2-CE1 3.45Å; F239-F254 VanDerWaalsContact CE2-CE1 3.45Å; F239-F254 AromaticContact CZ-CD1 3.53Å; F239-F254 HydrophobicContact CZ-CD1 3.53Å; F239-F254 AromaticContact CZ-CE1 3.9Å; F239-F254 HydrophobicContact CZ-CE1 3.9Å; A250-F254 HydrophobicContact CB-CE1 4.33Å; A250-F254 WeakPolarHBondContact O-CD1 3.35Å; A250-F254 WeakPolarHBondContact O-CE1 3.42Å; T251-F254 HydrophobicContact CG2-CD2 4.02Å; T251-F254 HydrophobicContact CG2-CE2 3.43Å; T251-F254 VanDerWaalsContact CG2-CE2 3.43Å; T251-F254 HydrophobicContact CG2-CZ 3.96Å; T251-F254 WeakPolarHBondContact O-CB 3.39Å; T251-F254 PolarHBondContact O-N 2.84Å; F254-I256 PolarHBondContact O-N 2.98Å; F254-E257 PolarHBondContact O-N 3.38Å; F254-I258 WeakPolarHBondContact O-CG1 3.46Å; F254-I258 PolarHBondContact O-N 3.22Å; F254-I258 VanDerWaalsContact O-N 3.12Å |
| 255 | R | 89.4 | Confident | 75.8 | Confident | 23 Ų | 23 | 57 Ų | 57 | 9% | 0.087 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -26.9 | 178.7 | 79.8 | -177.4 | 73.4 | -148.9 | -10.5 | 113.8 | A252 Y253 E257 I258 Y272 D274 S323 M326 D357 L361 | A252-R255 PolarHBondContact O-NE 2.77Å; Y253-R255 PolarHBondContact O-N 2.82Å; R255-E257 VanDerWaalsContact C-N 3.33Å; R255-I258 HydrophobicContact CB-CD1 4.35Å; R255-Y272 HydrophobicContact CB-CD2 4.4Å; R255-Y272 HydrophobicContact CB-CE1 3.98Å; R255-Y272 HydrophobicContact CB-CE2 3.8Å; R255-Y272 PolarHBondContact NE-OH 2.95Å; R255-Y272 PolarHBondContact NH2-OH 3.1Å; R255-Y272 VanDerWaalsContact NH2-OH 3.13Å; R255-D274 IonicContact CZ-OD1 3.79Å; R255-D274 IonicContact NH1-OD1 2.81Å; R255-D274 PolarHBondContact NH1-OD1 3.13Å; R255-D274 IonicContact NH1-OD2 2.67Å; R255-D274 PolarHBondContact NH1-OD2 3.04Å; R255-D274 IonicContact NH2-OD1 3.12Å; R255-D274 PolarHBondContact NH2-OD1 3.19Å; R255-D274 IonicContact NH2-OD2 3.54Å; R255-S323 VanDerWaalsContact NH1-C 3.26Å; R255-S323 PolarHBondContact NH1-O 2.87Å; R255-S323 PolarHBondContact NH1-OG 2.73Å; R255-M326 HydrophobicContact CB-CE 4.42Å; R255-M326 HydrophobicContact CG-CE 4.31Å; R255-D357 WeakPolarHBondContact CD-OD2 3.49Å; R255-D357 IonicContact CZ-OD2 2.94Å; R255-D357 IonicContact NE-OD2 2.81Å; R255-D357 PolarHBondContact NE-OD2 3.24Å; R255-L361 HydrophobicContact CG-CD1 4.28Å |
| 256 | I | 92.2 | Very high | 77.8 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.5 | -34.9 | 177.5 | -58.7 | 164.5 | 0 | 0 | 0 | 109.9 | Y253 F254 W333 T339 V342 F343 I346 D357 L361 | Y253-I256 HydrophobicContact CD1-CD1 3.69Å; Y253-I256 HydrophobicContact CG-CD1 4.46Å; Y253-I256 WeakPolarHBondContact O-CB 3.34Å; Y253-I256 PolarHBondContact O-N 2.51Å; F254-I256 PolarHBondContact O-N 2.98Å; I256-W333 WeakPolarHBondContact O-CZ2 3.5Å; I256-T339 HydrophobicContact CG2-CG2 4.19Å; I256-V342 HydrophobicContact CD1-CG1 3.66Å; I256-V342 HydrophobicContact CG1-CG1 4.03Å; I256-V342 HydrophobicContact CG2-CB 3.88Å; I256-V342 HydrophobicContact CG2-CG1 3.76Å; I256-F343 HydrophobicContact CB-CZ 4.04Å; I256-F343 HydrophobicContact CD1-CE1 4.17Å; I256-F343 HydrophobicContact CD1-CZ 4.45Å; I256-F343 HydrophobicContact CG2-CD2 4.46Å; I256-F343 HydrophobicContact CG2-CE1 4.45Å; I256-F343 HydrophobicContact CG2-CE2 3.93Å; I256-F343 HydrophobicContact CG2-CZ 3.88Å; I256-I346 HydrophobicContact CD1-CD1 3.95Å; I256-D357 HydrophobicContact CD1-CB 4.04Å; I256-D357 HydrophobicContact CG1-CB 4.44Å; I256-L361 HydrophobicContact CG1-CD1 4.4Å; I256-L361 HydrophobicContact CG1-CD2 4.24Å; I256-L361 HydrophobicContact CG1-CG 4.25Å |
| 257 | E | 90.9 | Very high | 80.1 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -85.1 | -16.7 | -177.6 | -162.8 | 63.8 | -163.6 | 0 | 0 | 113 | I234 F254 R255 P259 E260 L261 T339 F343 | I234-E257 HydrophobicContact CD1-CB 4.08Å; I234-E257 HydrophobicContact CD1-CG 4.38Å; I234-E257 HydrophobicContact CG1-CG 4.49Å; I234-E257 HydrophobicContact CG2-CG 4.1Å; F254-E257 PolarHBondContact O-N 3.38Å; R255-E257 VanDerWaalsContact C-N 3.33Å; E257-P259 VanDerWaalsContact C-N 3.33Å; E257-E260 HydrophobicContact CG-CB 4.35Å; E257-E260 WeakPolarHBondContact O-CA 3.23Å; E257-E260 VanDerWaalsContact O-CB 3.28Å; E257-E260 WeakPolarHBondContact O-CB 3.26Å; E257-E260 PolarHBondContact O-N 3.2Å; E257-E260 WeakPolarHBondContact OE1-CB 3.19Å; E257-L261 PolarHBondContact O-N 3.15Å; E257-T339 WeakPolarHBondContact OE2-CG2 3.1Å; E257-F343 WeakPolarHBondContact OE2-CE2 3.43Å |
| 258 | I | 92 | Very high | 82.7 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -48.9 | -48.2 | -174.2 | -78.4 | 174.7 | 0 | 0 | 0 | 112.7 | V204 F254 R255 E260 L261 F262 V270 Y272 | V204-I258 HydrophobicContact CG2-CD1 4.41Å; V204-I258 HydrophobicContact CG2-CG1 4.04Å; F254-I258 WeakPolarHBondContact O-CG1 3.46Å; F254-I258 PolarHBondContact O-N 3.22Å; F254-I258 VanDerWaalsContact O-N 3.12Å; R255-I258 HydrophobicContact CB-CD1 4.35Å; I258-E260 VanDerWaalsContact C-N 3.26Å; I258-E260 PolarHBondContact O-N 2.98Å; I258-L261 WeakPolarHBondContact O-CB 3.49Å; I258-L261 PolarHBondContact O-N 2.84Å; I258-L261 VanDerWaalsContact O-N 3.12Å; I258-F262 HydrophobicContact CG2-CE2 3.95Å; I258-F262 WeakPolarHBondContact O-CD2 3.4Å; I258-V270 HydrophobicContact CG2-CG2 4.49Å; I258-Y272 HydrophobicContact CD1-CD2 3.26Å; I258-Y272 HydrophobicContact CD1-CE2 3.41Å; I258-Y272 VanDerWaalsContact CD1-CE2 3.41Å; I258-Y272 HydrophobicContact CD1-CG 4.36Å |
| 259 | P | 94.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -62.1 | -30.5 | 179.4 | -28.1 | 40.9 | 0 | 0 | 0 | 113.9 | E257 L261 F262 I328 V330 W333 | E257-P259 VanDerWaalsContact C-N 3.33Å; P259-L261 VanDerWaalsContact C-N 3.28Å; P259-L261 PolarHBondContact O-N 3.34Å; P259-F262 PolarHBondContact O-N 3.39Å; P259-I328 HydrophobicContact CG-CD1 4.23Å; P259-I328 HydrophobicContact CG-CG2 3.94Å; P259-V330 HydrophobicContact CB-CG1 4.4Å; P259-W333 HydrophobicContact CB-CB 4.03Å; P259-W333 VanDerWaalsContact CB-CD1 3.44Å; P259-W333 HydrophobicContact CB-CD2 4.08Å; P259-W333 HydrophobicContact CB-CG 3.6Å; P259-W333 HydrophobicContact CG-CB 4.39Å; P259-W333 HydrophobicContact CG-CD2 3.61Å; P259-W333 HydrophobicContact CG-CE3 4.15Å; P259-W333 HydrophobicContact CG-CG 3.71Å; P259-W333 HydrophobicContact CG-CZ2 4.16Å |
| 260 | E | 93 | Very high | 86.6 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -65 | -31.3 | 176.2 | -61.5 | -61.1 | 152.6 | 0 | 0 | 112.6 | E257 I258 F262 R263 L334 T339 | E257-E260 HydrophobicContact CG-CB 4.35Å; E257-E260 WeakPolarHBondContact O-CA 3.23Å; E257-E260 VanDerWaalsContact O-CB 3.28Å; E257-E260 WeakPolarHBondContact O-CB 3.26Å; E257-E260 PolarHBondContact O-N 3.2Å; E257-E260 WeakPolarHBondContact OE1-CB 3.19Å; I258-E260 VanDerWaalsContact C-N 3.26Å; I258-E260 PolarHBondContact O-N 2.98Å; E260-F262 PolarHBondContact O-N 3.15Å; E260-F262 VanDerWaalsContact O-N 3.12Å; E260-R263 WeakPolarHBondContact O-CB 3.37Å; E260-R263 PolarHBondContact O-N 3.4Å; E260-R263 IonicContact OE1-NH2 3.14Å; E260-R263 IonicContact OE2-CZ 2.89Å; E260-R263 IonicContact OE2-NE 2.92Å; E260-R263 PolarHBondContact OE2-NE 3.26Å; E260-R263 IonicContact OE2-NH2 3.85Å; E260-R263 PolarHBondContact OE2-NH2 3.37Å; E260-L334 HydrophobicContact CG-CD2 4.49Å; E260-L334 WeakPolarHBondContact OE1-CD2 3.33Å; E260-L334 WeakPolarHBondContact OE2-CD2 3.49Å; E260-T339 HydrophobicContact CG-CG2 3.76Å; E260-T339 WeakPolarHBondContact CG-OG1 3.38Å; E260-T339 WeakPolarHBondContact OE1-CB 3.21Å; E260-T339 PolarHBondContact OE1-OG1 3.22Å |
| 261 | L | 91.8 | Very high | 88.3 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -66.1 | -15 | 178.1 | -57.5 | 176.2 | 0 | 0 | 0 | 113.2 | V204 L232 I234 E257 I258 P259 K265 | V204-L261 HydrophobicContact CG2-CD1 4.11Å; L232-L261 HydrophobicContact CB-CD1 4.07Å; L232-L261 HydrophobicContact CD1-CB 4.15Å; L232-L261 HydrophobicContact CD1-CD1 3.9Å; I234-L261 HydrophobicContact CD1-CD1 4.2Å; I234-L261 HydrophobicContact CG1-CD1 3.82Å; I234-L261 HydrophobicContact CG1-CD2 4.06Å; I234-L261 HydrophobicContact CG1-CG 4.4Å; E257-L261 PolarHBondContact O-N 3.15Å; I258-L261 WeakPolarHBondContact O-CB 3.49Å; I258-L261 PolarHBondContact O-N 2.84Å; I258-L261 VanDerWaalsContact O-N 3.12Å; P259-L261 VanDerWaalsContact C-N 3.28Å; P259-L261 PolarHBondContact O-N 3.34Å; L261-K265 WeakPolarHBondContact O-CE 3.41Å |
| 262 | F | 93.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -103 | 3.9 | 177.4 | -64 | -74.8 | 0 | 0 | 0 | 113.4 | Y202 L232 I258 P259 E260 D264 K265 V267 V270 V330 | Y202-F262 AromaticContact CD1-CE1 3.86Å; Y202-F262 HydrophobicContact CD1-CE1 3.86Å; Y202-F262 AromaticContact CD1-CZ 3.98Å; Y202-F262 HydrophobicContact CD1-CZ 3.98Å; Y202-F262 AromaticContact CD2-CE1 3.94Å; Y202-F262 HydrophobicContact CD2-CE1 3.94Å; Y202-F262 AromaticContact CD2-CZ 3.75Å; Y202-F262 HydrophobicContact CD2-CZ 3.75Å; Y202-F262 AromaticContact CE1-CE1 3.82Å; Y202-F262 HydrophobicContact CE1-CE1 3.82Å; Y202-F262 HydrophobicContact CE1-CZ 4.38Å; Y202-F262 AromaticContact CE2-CE1 3.87Å; Y202-F262 HydrophobicContact CE2-CE1 3.87Å; Y202-F262 HydrophobicContact CE2-CZ 4.14Å; Y202-F262 AromaticContact CG-CE1 3.93Å; Y202-F262 HydrophobicContact CG-CE1 3.93Å; Y202-F262 AromaticContact CG-CZ 3.64Å; Y202-F262 HydrophobicContact CG-CZ 3.64Å; Y202-F262 AromaticContact CZ-CE1 3.82Å; L232-F262 HydrophobicContact CD1-CZ 4.15Å; I258-F262 HydrophobicContact CG2-CE2 3.95Å; I258-F262 WeakPolarHBondContact O-CD2 3.4Å; P259-F262 PolarHBondContact O-N 3.39Å; E260-F262 PolarHBondContact O-N 3.15Å; E260-F262 VanDerWaalsContact O-N 3.12Å; F262-D264 PolarHBondContact O-N 3.38Å; F262-K265 WeakPolarHBondContact O-CB 3.36Å; F262-K265 PolarHBondContact O-N 3.12Å; F262-V267 HydrophobicContact CB-CB 4.11Å; F262-V267 HydrophobicContact CD1-CB 3.84Å; F262-V267 HydrophobicContact CD1-CG1 4Å; F262-V267 HydrophobicContact CD1-CG2 3.68Å; F262-V267 HydrophobicContact CE1-CG1 4.44Å; F262-V267 HydrophobicContact CE1-CG2 4.28Å; F262-V267 HydrophobicContact CG-CB 4.19Å; F262-V267 HydrophobicContact CG-CG1 4.27Å; F262-V267 HydrophobicContact CG-CG2 4.49Å; F262-V270 HydrophobicContact CD2-CG1 4.03Å; F262-V270 HydrophobicContact CE2-CG1 3.78Å; F262-V270 HydrophobicContact CZ-CG1 4.04Å; F262-V330 HydrophobicContact CB-CG1 3.95Å |
| 263 | R | 91.1 | Very high | 91.3 | Very high | 107 Ų | 107 | 50.2 Ų | 50.2 | 40% | 0.404 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 129 | 170.7 | -172.6 | 174 | -70.3 | -85.1 | 5.7 | 109.2 | E260 K265 L334 | E260-R263 WeakPolarHBondContact O-CB 3.37Å; E260-R263 PolarHBondContact O-N 3.4Å; E260-R263 IonicContact OE1-NH2 3.14Å; E260-R263 IonicContact OE2-CZ 2.89Å; E260-R263 IonicContact OE2-NE 2.92Å; E260-R263 PolarHBondContact OE2-NE 3.26Å; E260-R263 IonicContact OE2-NH2 3.85Å; E260-R263 PolarHBondContact OE2-NH2 3.37Å; R263-K265 PolarHBondContact O-N 3.16Å; R263-K265 VanDerWaalsContact O-N 3.14Å; R263-L334 HydrophobicContact CB-CD1 4.37Å |
| 264 | D | 87.7 | Confident | 92 | Very high | 162 Ų | 162 | 51.4 Ų | 51.4 | 87% | 0.866 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 10.9 | -177.7 | -48.5 | -42.9 | 0 | 0 | 0 | 116.2 | F262 | F262-D264 PolarHBondContact O-N 3.38Š|
| 265 | K | 85.2 | Confident | 92.3 | Very high | 113 Ų | 113 | 57 Ų | 57 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.9 | 178.5 | -62 | -159.4 | 179.2 | -179.9 | 0 | 114.9 | L261 F262 R263 V267 | L261-K265 WeakPolarHBondContact O-CE 3.41Å; F262-K265 WeakPolarHBondContact O-CB 3.36Å; F262-K265 PolarHBondContact O-N 3.12Å; R263-K265 PolarHBondContact O-N 3.16Å; R263-K265 VanDerWaalsContact O-N 3.14Å; K265-V267 HydrophobicContact CB-CG2 4.24Å; K265-V267 PolarHBondContact O-N 2.67Å |
| 266 | N | 86.8 | Confident | 92.5 | Very high | 147 Ų | 147 | 56.8 Ų | 56.8 | 79% | 0.786 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 32.4 | -176.3 | -161.5 | 52.9 | 0 | 0 | 0 | 113.6 | ||
| 267 | V | 91.2 | Very high | 92.6 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 22% | 0.224 | 29% | 0.293 | C | S | . | . | trans | -97.2 | 115.7 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | F262 K265 K269 V270 V330 | F262-V267 HydrophobicContact CB-CB 4.11Å; F262-V267 HydrophobicContact CD1-CB 3.84Å; F262-V267 HydrophobicContact CD1-CG1 4Å; F262-V267 HydrophobicContact CD1-CG2 3.68Å; F262-V267 HydrophobicContact CE1-CG1 4.44Å; F262-V267 HydrophobicContact CE1-CG2 4.28Å; F262-V267 HydrophobicContact CG-CB 4.19Å; F262-V267 HydrophobicContact CG-CG1 4.27Å; F262-V267 HydrophobicContact CG-CG2 4.49Å; K265-V267 HydrophobicContact CB-CG2 4.24Å; K265-V267 PolarHBondContact O-N 2.67Å; V267-K269 WeakPolarHBondContact CG1-O 3.28Å; V267-V270 HydrophobicContact CG1-CG1 3.64Å; V267-V330 HydrophobicContact CG1-CG2 4.47Å; V267-V330 WeakPolarHBondContact O-CB 3.41Å; V267-V330 WeakPolarHBondContact O-CG1 3.48Å | ||
| 268 | E | 92.7 | Very high | 92.7 | Very high | 131 Ų | 131 | 57.8 Ų | 57.8 | 61% | 0.612 | 29% | 0.293 | S | S | * | . | trans | -89.1 | -29 | -174.6 | -61.2 | -172.2 | 161.1 | 0 | 0 | 113.1 | V330 | E268-V330 PolarHBondContact O-N 3.46Š| ||
| 269 | K | 95.2 | Very high | 92.7 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 24% | 0.235 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 145.9 | -173.7 | -170.1 | 167.8 | 60.2 | 179.3 | 0 | 109.9 | V267 W287 L291 L327 I328 | V267-K269 WeakPolarHBondContact CG1-O 3.28Å; K269-W287 HydrophobicContact CB-CH2 3.87Å; K269-W287 HydrophobicContact CB-CZ2 4.31Å; K269-W287 HydrophobicContact CB-CZ3 4.34Å; K269-W287 WeakPolarHBondContact CE-O 3.35Å; K269-W287 HydrophobicContact CG-CH2 4Å; K269-W287 HydrophobicContact CG-CZ3 3.95Å; K269-W287 PolarHBondContact NZ-O 2.82Å; K269-W287 VanDerWaalsContact O-CH2 3.26Å; K269-W287 WeakPolarHBondContact O-CH2 3.49Å; K269-L291 HydrophobicContact CD-CD1 4.04Å; K269-L291 HydrophobicContact CG-CD1 4.35Å; K269-L327 HydrophobicContact CD-CD1 3.87Å; K269-L327 HydrophobicContact CD-CD2 4.2Å; K269-L327 HydrophobicContact CD-CG 4Å; K269-L327 HydrophobicContact CG-CD1 3.86Å; K269-L327 HydrophobicContact CG-CG 4.21Å; K269-I328 VanDerWaalsContact CA-O 3.24Å; K269-I328 WeakPolarHBondContact CA-O 3.41Å; K269-I328 WeakPolarHBondContact CG-O 3.37Å |
| 270 | V | 96.7 | Very high | 92.3 | Very high | 14 Ų | 14 | 61.3 Ų | 61.3 | 9% | 0.085 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 145.4 | 173.1 | -65.8 | 0 | 0 | 0 | 0 | 110.4 | I258 F262 V267 L327 I328 V330 | I258-V270 HydrophobicContact CG2-CG2 4.49Å; F262-V270 HydrophobicContact CD2-CG1 4.03Å; F262-V270 HydrophobicContact CE2-CG1 3.78Å; F262-V270 HydrophobicContact CZ-CG1 4.04Å; V267-V270 HydrophobicContact CG1-CG1 3.64Å; V270-L327 CarbonylContact O-C 3.53Å; V270-I328 HydrophobicContact CG2-CB 3.83Å; V270-I328 HydrophobicContact CG2-CD1 4.22Å; V270-I328 HydrophobicContact CG2-CG1 4.49Å; V270-I328 HydrophobicContact CG2-CG2 4.46Å; V270-I328 PolarHBondContact N-O 3.06Å; V270-I328 PolarHBondContact O-N 3.36Å; V270-V330 HydrophobicContact CB-CG2 4.23Å; V270-V330 HydrophobicContact CG1-CG2 3.76Å; V270-V330 HydrophobicContact CG2-CG2 3.68Å |
| 271 | L | 97.6 | Very high | 91.9 | Very high | 42 Ų | 42 | 63 Ų | 63 | 22% | 0.22 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 108.6 | 170.6 | 176.3 | 61.4 | 0 | 0 | 0 | 108.3 | M273 I283 L286 W287 L325 L327 | L271-M273 HydrophobicContact CD1-CG 4.48Å; L271-M273 HydrophobicContact CD2-CG 4.45Å; L271-M273 HydrophobicContact CD2-SD 4.07Å; L271-M273 HydrophobicContact CG-CG 4.08Å; L271-M273 HydrophobicContact CG-SD 4.34Å; L271-I283 HydrophobicContact CD2-CD1 4.04Å; L271-L286 HydrophobicContact CD1-CD2 3.88Å; L271-L286 HydrophobicContact CD1-CG 4.37Å; L271-L286 HydrophobicContact CD2-CD2 3.98Å; L271-W287 HydrophobicContact CB-CE3 4.14Å; L271-W287 HydrophobicContact CB-CZ3 4.25Å; L271-L325 HydrophobicContact CD1-CG 4.24Å; L271-L327 HydrophobicContact CB-CD1 4.09Å; L271-L327 HydrophobicContact CD1-CB 4.37Å; L271-L327 HydrophobicContact CD1-CD1 4.34Å |
| 272 | Y | 96.9 | Very high | 91.5 | Very high | 36 Ų | 36 | 64.4 Ų | 64.4 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.4 | 171.3 | 176.2 | -100.2 | 0 | 0 | 0 | 110.6 | R255 I258 D274 S323 L325 M326 | R255-Y272 HydrophobicContact CB-CD2 4.4Å; R255-Y272 HydrophobicContact CB-CE1 3.98Å; R255-Y272 HydrophobicContact CB-CE2 3.8Å; R255-Y272 PolarHBondContact NE-OH 2.95Å; R255-Y272 PolarHBondContact NH2-OH 3.1Å; R255-Y272 VanDerWaalsContact NH2-OH 3.13Å; I258-Y272 HydrophobicContact CD1-CD2 3.26Å; I258-Y272 HydrophobicContact CD1-CE2 3.41Å; I258-Y272 VanDerWaalsContact CD1-CE2 3.41Å; I258-Y272 HydrophobicContact CD1-CG 4.36Å; Y272-D274 PolarHBondContact OH-OD1 3.07Å; Y272-S323 WeakPolarHBondContact CE1-O 3.39Å; Y272-L325 WeakPolarHBondContact O-CA 3.46Å; Y272-M326 HydrophobicContact CD1-CE 3.63Å; Y272-M326 HydrophobicContact CE1-CE 4.2Å; Y272-M326 HydrophobicContact CG-CE 4.15Å; Y272-M326 PolarHBondContact N-O 2.69Å; Y272-M326 PolarHBondContact O-N 3.27Å |
| 273 | M | 95.8 | Very high | 91.4 | Very high | 59 Ų | 59 | 65.6 Ų | 65.6 | 29% | 0.291 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 136.1 | 175.6 | -61.7 | -177.5 | 60.6 | 0 | 0 | 110.1 | L271 M277 G324 L325 I407 | L271-M273 HydrophobicContact CD1-CG 4.48Å; L271-M273 HydrophobicContact CD2-CG 4.45Å; L271-M273 HydrophobicContact CD2-SD 4.07Å; L271-M273 HydrophobicContact CG-CG 4.08Å; L271-M273 HydrophobicContact CG-SD 4.34Å; M273-M277 HydrophobicContact CB-SD 3.93Å; M273-M277 HydrophobicContact CE-CB 4.13Å; M273-M277 HydrophobicContact CE-SD 4Å; M273-M277 HydrophobicContact CG-SD 4.42Å; M273-G324 CarbonylContact C-O 3.4Å; M273-G324 VanDerWaalsContact CA-O 3.31Å; M273-G324 WeakPolarHBondContact CA-O 3.47Å; M273-L325 HydrophobicContact CE-CD1 4.4Å; M273-L325 HydrophobicContact CG-CD1 4.12Å; M273-I407 HydrophobicContact CE-CD1 4Å; M273-I407 HydrophobicContact CE-CG2 3.95Å |
| 274 | D | 93.3 | Very high | 91.2 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 15% | 0.15 | 33% | 0.327 | C | S | . | . | trans | -65.6 | 150.6 | 166.8 | -78.3 | -28.5 | 0 | 0 | 0 | 110.2 | R255 Y272 D276 M277 G324 H409 | R255-D274 IonicContact CZ-OD1 3.79Å; R255-D274 IonicContact NH1-OD1 2.81Å; R255-D274 PolarHBondContact NH1-OD1 3.13Å; R255-D274 IonicContact NH1-OD2 2.67Å; R255-D274 PolarHBondContact NH1-OD2 3.04Å; R255-D274 IonicContact NH2-OD1 3.12Å; R255-D274 PolarHBondContact NH2-OD1 3.19Å; R255-D274 IonicContact NH2-OD2 3.54Å; Y272-D274 PolarHBondContact OH-OD1 3.07Å; D274-D276 WeakPolarHBondContact CB-OD1 3.34Å; D274-D276 PolarHBondContact O-N 3.15Å; D274-M277 HydrophobicContact CB-CE 4.09Å; D274-M277 HydrophobicContact CB-CG 4.4Å; D274-M277 HydrophobicContact CB-SD 4.46Å; D274-M277 WeakPolarHBondContact O-CB 3.47Å; D274-M277 WeakPolarHBondContact O-CG 3.28Å; D274-G324 VanDerWaalsContact CG-CA 3.48Å; D274-G324 PolarHBondContact N-O 3.12Å; D274-G324 WeakPolarHBondContact OD2-CA 3.48Å; D274-H409 IonicContact OD2-CE1 3.38Å; D274-H409 IonicContact OD2-NE2 3.9Å | ||
| 275 | C | 91.2 | Very high | 91.2 | Very high | 131 Ų | 131 | 57.7 Ų | 57.7 | 89% | 0.885 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -4.9 | -179.7 | 63.9 | 0 | 0 | 0 | 0 | 114 | M277 | C275-M277 VanDerWaalsContact C-N 3.3Å; C275-M277 PolarHBondContact O-N 2.87Å |
| 276 | D | 92.9 | Very high | 91.5 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 10% | 0.102 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 35.3 | 177.7 | 63.9 | -3.7 | 0 | 0 | 0 | 112.8 | D274 H409 F410 K415 W417 | D274-D276 WeakPolarHBondContact CB-OD1 3.34Å; D274-D276 PolarHBondContact O-N 3.15Å; D276-H409 IonicContact OD1-CD2 3.32Å; D276-H409 PolarHBondContact OD1-CD2 2.95Å; D276-H409 IonicContact OD1-NE2 3.77Å; D276-H409 PolarHBondContact OD1-NE2 3.2Å; D276-H409 VanDerWaalsContact OD1-NE2 3.1Å; D276-H409 IonicContact OD2-CD2 2.69Å; D276-H409 IonicContact OD2-NE2 3.27Å; D276-F410 VanDerWaalsContact O-CD2 3.23Å; D276-F410 WeakPolarHBondContact O-CD2 3.31Å; D276-F410 PolarHBondContact O-N 3.4Å; D276-K415 IonicContact OD2-NZ 3.73Å; D276-K415 PolarHBondContact OD2-NZ 2.82Å; D276-W417 HydrophobicContact CB-CH2 3.43Å; D276-W417 VanDerWaalsContact CB-CH2 3.43Å; D276-W417 HydrophobicContact CB-CZ2 4.33Å; D276-W417 HydrophobicContact CB-CZ3 4.21Å |
| 277 | M | 95.7 | Very high | 91.9 | Very high | 24 Ų | 24 | 49.2 Ų | 49.2 | 12% | 0.118 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155.1 | -178.8 | -62.8 | -175.8 | 166.7 | 0 | 0 | 112.1 | M273 D274 C275 G324 L325 I407 I408 H409 | M273-M277 HydrophobicContact CB-SD 3.93Å; M273-M277 HydrophobicContact CE-CB 4.13Å; M273-M277 HydrophobicContact CE-SD 4Å; M273-M277 HydrophobicContact CG-SD 4.42Å; D274-M277 HydrophobicContact CB-CE 4.09Å; D274-M277 HydrophobicContact CB-CG 4.4Å; D274-M277 HydrophobicContact CB-SD 4.46Å; D274-M277 WeakPolarHBondContact O-CB 3.47Å; D274-M277 WeakPolarHBondContact O-CG 3.28Å; C275-M277 VanDerWaalsContact C-N 3.3Å; C275-M277 PolarHBondContact O-N 2.87Å; M277-G324 WeakPolarHBondContact CE-O 3.37Å; M277-L325 HydrophobicContact CE-CB 3.93Å; M277-L325 HydrophobicContact SD-CB 4.35Å; M277-L325 HydrophobicContact SD-CD1 4.36Å; M277-I407 HydrophobicContact CB-CG2 4.06Å; M277-I407 HydrophobicContact CG-CG2 4.46Å; M277-I407 HydrophobicContact SD-CG2 4.24Å; M277-I408 CarbonylContact C-O 3.59Å; M277-I408 WeakPolarHBondContact CA-O 3.31Å; M277-H409 HydrophobicContact CE-CB 3.93Å; M277-H409 VanDerWaalsContact CE-CE1 3.44Å; M277-H409 WeakPolarHBondContact CE-CE1 3.25Å; M277-H409 WeakPolarHBondContact CE-ND1 3.32Å; M277-H409 HydrophobicContact CG-CB 4.17Å |
| 278 | I | 92.7 | Very high | 91.9 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 9% | 0.087 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 120 | 169.7 | -66.3 | 174.1 | 0 | 0 | 0 | 108.2 | L280 I407 I408 F410 L429 Y433 | I278-L280 HydrophobicContact CG2-CD2 3.73Å; I278-L280 HydrophobicContact CG2-CG 4.38Å; I278-I407 CarbonylContact O-C 3.52Å; I278-I407 WeakPolarHBondContact O-CA 3.39Å; I278-I408 PolarHBondContact N-O 3.37Å; I278-I408 PolarHBondContact O-N 3.42Å; I278-F410 HydrophobicContact CD1-CE2 3.56Å; I278-F410 HydrophobicContact CD1-CZ 3.8Å; I278-F410 HydrophobicContact CG1-CE2 3.89Å; I278-L429 HydrophobicContact CD1-CB 4.12Å; I278-Y433 HydrophobicContact CD1-CD2 4.3Å; I278-Y433 HydrophobicContact CG2-CD2 3.6Å; I278-Y433 HydrophobicContact CG2-CE2 3.48Å; I278-Y433 VanDerWaalsContact CG2-CE2 3.48Å |
| 279 | A | 92.1 | Very high | 92 | Very high | 41 Ų | 41 | 46.4 Ų | 46.4 | 34% | 0.339 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | I283 I407 | A279-I283 HydrophobicContact CB-CG2 3.99Å; A279-I407 HydrophobicContact CB-CG1 4.25Å |
| 280 | L | 86.4 | Confident | 91.9 | Very high | 56 Ų | 56 | 49 Ų | 49 | 29% | 0.293 | 26% | 0.263 | S | S | . | . | trans | -115.3 | -14.8 | -178.8 | -62.1 | 179.9 | 0 | 0 | 0 | 112.9 | I278 P405 A406 I408 L429 Y433 | I278-L280 HydrophobicContact CG2-CD2 3.73Å; I278-L280 HydrophobicContact CG2-CG 4.38Å; L280-P405 HydrophobicContact CD1-CB 4.44Å; L280-P405 HydrophobicContact CD1-CG 3.92Å; L280-A406 PolarHBondContact N-O 3.48Å; L280-I408 HydrophobicContact CD1-CD1 3.61Å; L280-I408 HydrophobicContact CD1-CG1 3.79Å; L280-L429 HydrophobicContact CD1-CD1 4.13Å; L280-L429 HydrophobicContact CD2-CD1 4.02Å; L280-L429 HydrophobicContact CD2-CD2 4.22Å; L280-Y433 HydrophobicContact CD2-CE2 4.05Å | ||
| 281 | T | 84.1 | Confident | 91.8 | Very high | 67 Ų | 67 | 49 Ų | 49 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -130.2 | 168.7 | 176.3 | 65.8 | 0 | 0 | 0 | 0 | 109.2 | I283 A406 | T281-I283 PolarHBondContact O-N 3.28Å; T281-A406 HydrophobicContact CG2-CB 4.37Å; T281-A406 PolarHBondContact N-O 3.45Å; T281-A406 VanDerWaalsContact OG1-CB 3.28Å; T281-A406 WeakPolarHBondContact OG1-CB 3.17Å |
| 282 | D | 82.9 | Confident | 91.5 | Very high | 62 Ų | 62 | 53.1 Ų | 53.1 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | trans | -59.2 | 133.9 | 169.2 | -166.2 | -7 | 0 | 0 | 0 | 110.6 | C192 T284 | C192-D282 WeakPolarHBondContact SG-CB 3.34Å; C192-D282 VanDerWaalsContact SG-CG 3.55Å; C192-D282 PolarHBondContact SG-OD2 3.41Å; D282-T284 WeakPolarHBondContact OD1-CG2 3.49Å; D282-T284 PolarHBondContact OD1-N 2.99Å; D282-T284 PolarHBondContact OD1-OG1 2.95Å; D282-T284 WeakPolarHBondContact OD2-CG2 3.37Å; D282-T284 PolarHBondContact OD2-OG1 2.9Å | ||
| 283 | I | 90.1 | Very high | 91.2 | Very high | 30 Ų | 30 | 57.7 Ų | 57.7 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -94.2 | -2.2 | 179.2 | 64 | 170.9 | 0 | 0 | 0 | 112.4 | F199 L271 A279 T281 K285 L286 W287 I407 | F199-I283 HydrophobicContact CD1-CD1 4.49Å; F199-I283 HydrophobicContact CE1-CD1 3.9Å; F199-I283 HydrophobicContact CE1-CG1 3.9Å; F199-I283 HydrophobicContact CZ-CG1 4.43Å; L271-I283 HydrophobicContact CD2-CD1 4.04Å; A279-I283 HydrophobicContact CB-CG2 3.99Å; T281-I283 PolarHBondContact O-N 3.28Å; I283-K285 VanDerWaalsContact C-N 3.3Å; I283-K285 PolarHBondContact O-N 3.48Å; I283-L286 WeakPolarHBondContact O-CA 3.43Å; I283-L286 VanDerWaalsContact O-CB 3.3Å; I283-L286 WeakPolarHBondContact O-CB 3.39Å; I283-L286 PolarHBondContact O-N 2.59Å; I283-W287 PolarHBondContact O-N 3.4Å; I283-I407 HydrophobicContact CG2-CD1 3.96Å; I283-I407 HydrophobicContact CG2-CG1 4.3Å |
| 284 | T | 88.5 | Confident | 91.2 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.1 | -41.7 | 174.2 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | Y197 F199 D282 L286 W287 E288 | Y197-T284 HydrophobicContact CD1-CG2 4.36Å; Y197-T284 HydrophobicContact CD2-CG2 3.18Å; Y197-T284 HydrophobicContact CE2-CG2 3.74Å; Y197-T284 HydrophobicContact CG-CG2 3.55Å; F199-T284 HydrophobicContact CZ-CG2 4.15Å; D282-T284 WeakPolarHBondContact OD1-CG2 3.49Å; D282-T284 PolarHBondContact OD1-N 2.99Å; D282-T284 PolarHBondContact OD1-OG1 2.95Å; D282-T284 WeakPolarHBondContact OD2-CG2 3.37Å; D282-T284 PolarHBondContact OD2-OG1 2.9Å; T284-L286 VanDerWaalsContact C-N 3.26Å; T284-L286 PolarHBondContact O-N 2.78Å; T284-W287 CarbonylContact O-C 3.58Å; T284-W287 WeakPolarHBondContact O-CA 3.37Å; T284-W287 WeakPolarHBondContact O-CB 3.37Å; T284-W287 PolarHBondContact O-N 2.7Å; T284-E288 WeakPolarHBondContact O-CG 3.34Å; T284-E288 PolarHBondContact O-N 2.81Å |
| 285 | K | 86.3 | Confident | 91.5 | Very high | 97 Ų | 97 | 56.9 Ų | 56.9 | 42% | 0.422 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58 | -37.3 | 172.2 | -64.9 | -177.1 | -178.2 | 177.2 | 0 | 113 | N191 I283 W376 | N191-K285 WeakPolarHBondContact O-CE 3.37Å; N191-K285 PolarHBondContact O-NZ 2.82Å; I283-K285 VanDerWaalsContact C-N 3.3Å; I283-K285 PolarHBondContact O-N 3.48Å; K285-W376 HydrophobicContact CB-CH2 3.92Å; K285-W376 HydrophobicContact CB-CZ2 3.92Å |
| 286 | L | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.9 | -47.3 | 173.5 | 169 | 62.7 | 0 | 0 | 0 | 110.2 | L271 I283 T284 E288 T289 L325 L327 L372 W376 I407 | L271-L286 HydrophobicContact CD1-CD2 3.88Å; L271-L286 HydrophobicContact CD1-CG 4.37Å; L271-L286 HydrophobicContact CD2-CD2 3.98Å; I283-L286 WeakPolarHBondContact O-CA 3.43Å; I283-L286 VanDerWaalsContact O-CB 3.3Å; I283-L286 WeakPolarHBondContact O-CB 3.39Å; I283-L286 PolarHBondContact O-N 2.59Å; T284-L286 VanDerWaalsContact C-N 3.26Å; T284-L286 PolarHBondContact O-N 2.78Å; L286-E288 VanDerWaalsContact C-N 3.28Å; L286-E288 PolarHBondContact O-N 2.81Å; L286-T289 VanDerWaalsContact O-CB 3.24Å; L286-T289 WeakPolarHBondContact O-CB 3.44Å; L286-T289 PolarHBondContact O-N 3.28Å; L286-T289 VanDerWaalsContact O-N 3.11Å; L286-T289 PolarHBondContact O-OG1 2.67Å; L286-L325 HydrophobicContact CD1-CD2 4.48Å; L286-L325 HydrophobicContact CD2-CD1 4.04Å; L286-L325 HydrophobicContact CD2-CD2 4.13Å; L286-L327 WeakPolarHBondContact O-CD2 2.87Å; L286-L372 HydrophobicContact CD1-CD1 3.54Å; L286-L372 HydrophobicContact CD1-CD2 4.19Å; L286-L372 HydrophobicContact CD1-CG 4.48Å; L286-W376 HydrophobicContact CB-CD2 3.85Å; L286-W376 HydrophobicContact CB-CE3 3.65Å; L286-W376 HydrophobicContact CB-CH2 3.83Å; L286-W376 HydrophobicContact CB-CZ2 4Å; L286-W376 HydrophobicContact CB-CZ3 3.65Å; L286-W376 HydrophobicContact CD1-CB 4.34Å; L286-W376 HydrophobicContact CD1-CD2 4.15Å; L286-W376 HydrophobicContact CD1-CG 4.06Å; L286-W376 HydrophobicContact CD2-CD2 4.34Å; L286-W376 HydrophobicContact CD2-CE3 3.95Å; L286-W376 HydrophobicContact CG-CD2 4.34Å; L286-W376 HydrophobicContact CG-CE3 4.26Å; L286-I407 HydrophobicContact CD2-CD1 3.83Å |
| 287 | W | 94.6 | Very high | 92.1 | Very high | 82 Ų | 82 | 49.7 Ų | 49.7 | 31% | 0.311 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.2 | -39 | 177.9 | 176 | -106.6 | 0 | 0 | 0 | 112.8 | Y197 K269 L271 I283 T284 T289 L327 | Y197-W287 AromaticContact CE1-CD1 3.68Å; K269-W287 HydrophobicContact CB-CH2 3.87Å; K269-W287 HydrophobicContact CB-CZ2 4.31Å; K269-W287 HydrophobicContact CB-CZ3 4.34Å; K269-W287 WeakPolarHBondContact CE-O 3.35Å; K269-W287 HydrophobicContact CG-CH2 4Å; K269-W287 HydrophobicContact CG-CZ3 3.95Å; K269-W287 PolarHBondContact NZ-O 2.82Å; K269-W287 VanDerWaalsContact O-CH2 3.26Å; K269-W287 WeakPolarHBondContact O-CH2 3.49Å; L271-W287 HydrophobicContact CB-CE3 4.14Å; L271-W287 HydrophobicContact CB-CZ3 4.25Å; I283-W287 PolarHBondContact O-N 3.4Å; T284-W287 CarbonylContact O-C 3.58Å; T284-W287 WeakPolarHBondContact O-CA 3.37Å; T284-W287 WeakPolarHBondContact O-CB 3.37Å; T284-W287 PolarHBondContact O-N 2.7Å; W287-T289 PolarHBondContact O-N 3.32Å; W287-L327 HydrophobicContact CD2-CD1 4.48Å; W287-L327 HydrophobicContact CE3-CD1 3.57Å; W287-L327 HydrophobicContact CZ3-CD1 3.95Å |
| 288 | E | 92 | Very high | 92.2 | Very high | 78 Ų | 78 | 48.6 Ų | 48.6 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -6.5 | 179.3 | -71.6 | -176.9 | 133.6 | 0 | 0 | 114.4 | R195 Y197 T284 L286 D290 | R195-E288 IonicContact CZ-OE1 3.81Å; R195-E288 IonicContact NH1-OE1 3.27Å; R195-E288 PolarHBondContact NH1-OE1 2.9Å; Y197-E288 VanDerWaalsContact OH-CG 3.31Å; Y197-E288 WeakPolarHBondContact OH-CG 3.32Å; Y197-E288 PolarHBondContact OH-OE1 3.27Å; T284-E288 WeakPolarHBondContact O-CG 3.34Å; T284-E288 PolarHBondContact O-N 2.81Å; L286-E288 VanDerWaalsContact C-N 3.28Å; L286-E288 PolarHBondContact O-N 2.81Å; E288-D290 PolarHBondContact O-N 2.83Å; E288-D290 VanDerWaalsContact O-N 3.14Å |
| 289 | T | 93 | Very high | 92.4 | Very high | 32 Ų | 32 | 47.9 Ų | 47.9 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | trans | -52.6 | 123.2 | 177.6 | -59.3 | 0 | 0 | 0 | 0 | 110.9 | L286 W287 L291 A297 L372 | L286-T289 VanDerWaalsContact O-CB 3.24Å; L286-T289 WeakPolarHBondContact O-CB 3.44Å; L286-T289 PolarHBondContact O-N 3.28Å; L286-T289 VanDerWaalsContact O-N 3.11Å; L286-T289 PolarHBondContact O-OG1 2.67Å; W287-T289 PolarHBondContact O-N 3.32Å; T289-L291 PolarHBondContact O-N 2.82Å; T289-A297 HydrophobicContact CG2-CB 4.42Å; T289-L372 HydrophobicContact CG2-CD2 3.79Å | ||
| 290 | D | 93.9 | Very high | 92.7 | Very high | 109 Ų | 109 | 46.8 Ų | 46.8 | 58% | 0.583 | 23% | 0.234 | S | C | * | . | trans | -70.6 | 111.1 | 174.7 | -177.5 | 13 | 0 | 0 | 0 | 110 | E288 Q292 | E288-D290 PolarHBondContact O-N 2.83Å; E288-D290 VanDerWaalsContact O-N 3.14Å; D290-Q292 PolarHBondContact O-N 2.85Å; D290-Q292 WeakPolarHBondContact OD1-CA 3.35Å; D290-Q292 PolarHBondContact OD1-N 2.78Å; D290-Q292 VanDerWaalsContact OD2-CG 3.32Å; D290-Q292 WeakPolarHBondContact OD2-CG 3.29Å | ||
| 291 | L | 95.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | trans | -75 | -15.4 | 176.3 | -62.2 | -177.5 | 0 | 0 | 0 | 112 | K269 T289 D293 H294 A297 L327 N329 | K269-L291 HydrophobicContact CD-CD1 4.04Å; K269-L291 HydrophobicContact CG-CD1 4.35Å; T289-L291 PolarHBondContact O-N 2.82Å; L291-D293 PolarHBondContact O-N 2.72Å; L291-H294 WeakPolarHBondContact O-CB 3.26Å; L291-H294 PolarHBondContact O-N 2.9Å; L291-H294 PolarHBondContact O-ND1 2.86Å; L291-A297 HydrophobicContact CD2-CB 3.43Å; L291-A297 VanDerWaalsContact CD2-CB 3.43Å; L291-L327 HydrophobicContact CD1-CG 4.35Å; L291-L327 HydrophobicContact CD2-CB 4.47Å; L291-L327 HydrophobicContact CD2-CD2 3.98Å; L291-L327 HydrophobicContact CD2-CG 4.24Å; L291-L327 HydrophobicContact CG-CD2 4.35Å; L291-N329 HydrophobicContact CD1-CB 3.74Å | ||
| 292 | Q | 90.6 | Very high | 93.8 | Very high | 130 Ų | 130 | 41.6 Ų | 41.6 | 61% | 0.607 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | -122.1 | -171.3 | -59.2 | 176.4 | 1.1 | 0 | 0 | 109.9 | D290 | D290-Q292 PolarHBondContact O-N 2.85Å; D290-Q292 WeakPolarHBondContact OD1-CA 3.35Å; D290-Q292 PolarHBondContact OD1-N 2.78Å; D290-Q292 VanDerWaalsContact OD2-CG 3.32Å; D290-Q292 WeakPolarHBondContact OD2-CG 3.29Å |
| 293 | D | 91 | Very high | 94.3 | Very high | 131 Ų | 131 | 38.9 Ų | 38.9 | 70% | 0.701 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 9.3 | 178.7 | -83 | -38 | 0 | 0 | 0 | 115.1 | L291 K332 | L291-D293 PolarHBondContact O-N 2.72Å; D293-K332 VanDerWaalsContact CG-NZ 3.32Å; D293-K332 WeakPolarHBondContact O-CD 3.35Å; D293-K332 PolarHBondContact O-NZ 3.08Å; D293-K332 IonicContact OD1-NZ 3.82Å; D293-K332 PolarHBondContact OD1-NZ 3.36Å |
| 294 | H | 96.4 | Very high | 94.3 | Very high | 58 Ų | 58 | 39.7 Ų | 39.7 | 27% | 0.269 | 19% | 0.193 | S | C | . | . | trans | -87.3 | 159 | -178.9 | -59 | 83.3 | 0 | 0 | 0 | 112.5 | L291 V370 | L291-H294 WeakPolarHBondContact O-CB 3.26Å; L291-H294 PolarHBondContact O-N 2.9Å; L291-H294 PolarHBondContact O-ND1 2.86Å; H294-V370 HydrophobicContact CB-CG2 3.83Å; H294-V370 WeakPolarHBondContact ND1-CG2 3.19Å | ||
| 295 | I | 97.8 | Very high | 94.4 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -77.4 | -34 | -178.6 | -68.6 | 168.2 | 0 | 0 | 0 | 110.8 | N329 K332 W333 E336 V338 L365 C368 | I295-N329 WeakPolarHBondContact O-CB 3.5Å; I295-N329 PolarHBondContact O-N 2.81Å; I295-K332 HydrophobicContact CG1-CB 4.42Å; I295-W333 HydrophobicContact CG2-CB 4.44Å; I295-W333 HydrophobicContact CG2-CD2 4.35Å; I295-W333 HydrophobicContact CG2-CE3 3.6Å; I295-W333 HydrophobicContact CG2-CZ3 4.33Å; I295-E336 HydrophobicContact CD1-CB 4.35Å; I295-E336 HydrophobicContact CD1-CG 4.34Å; I295-V338 HydrophobicContact CD1-CG2 3.89Å; I295-V338 HydrophobicContact CG2-CG2 4.16Å; I295-L365 HydrophobicContact CB-CD2 4.2Å; I295-L365 HydrophobicContact CD1-CD2 3.49Å; I295-L365 VanDerWaalsContact CD1-CD2 3.49Å; I295-L365 HydrophobicContact CG1-CD2 4.43Å; I295-L365 HydrophobicContact CG2-CD1 4.4Å; I295-L365 HydrophobicContact CG2-CD2 3.91Å; I295-C368 HydrophobicContact CD1-CB 4.25Å; I295-C368 PolarHBondContact N-O 2.88Å; I295-C368 VanDerWaalsContact N-O 3.15Å |
| 296 | L | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 167.5 | 177.5 | 65.8 | 87.3 | 0 | 0 | 0 | 112.6 | A298 F321 M326 L327 I328 W333 L365 W369 V370 | L296-A298 HydrophobicContact CD1-CB 3.64Å; L296-F321 HydrophobicContact CD1-CE1 4.45Å; L296-F321 HydrophobicContact CD1-CZ 4.44Å; L296-F321 HydrophobicContact CD2-CZ 4.07Å; L296-M326 HydrophobicContact CD2-SD 4.05Å; L296-L327 CarbonylContact C-O 3.56Å; L296-L327 WeakPolarHBondContact CA-O 3.31Å; L296-L327 WeakPolarHBondContact CB-O 3.47Å; L296-I328 HydrophobicContact CB-CG1 4.3Å; L296-W333 HydrophobicContact CD2-CZ3 3.97Å; L296-L365 HydrophobicContact CD2-CD1 3.48Å; L296-L365 VanDerWaalsContact CD2-CD1 3.48Å; L296-W369 HydrophobicContact CD1-CB 3.57Å; L296-W369 HydrophobicContact CD1-CG 4.42Å; L296-W369 HydrophobicContact CG-CB 4Å; L296-W369 CarbonylContact O-C 3.52Å; L296-W369 WeakPolarHBondContact O-CA 3.22Å; L296-W369 WeakPolarHBondContact O-CB 3.31Å; L296-V370 PolarHBondContact O-N 3.48Å |
| 297 | A | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | T289 L291 M326 L327 V370 L372 | T289-A297 HydrophobicContact CG2-CB 4.42Å; L291-A297 HydrophobicContact CD2-CB 3.43Å; L291-A297 VanDerWaalsContact CD2-CB 3.43Å; A297-M326 WeakPolarHBondContact O-CA 3.38Å; A297-L327 HydrophobicContact CB-CB 4.26Å; A297-L327 PolarHBondContact N-O 3.06Å; A297-L327 PolarHBondContact O-N 3.2Å; A297-V370 CarbonylContact C-O 3.6Å; A297-V370 WeakPolarHBondContact CA-O 3.18Å; A297-V370 HydrophobicContact CB-CB 3.82Å; A297-V370 HydrophobicContact CB-CG1 4.37Å; A297-V370 WeakPolarHBondContact CB-O 3.43Å; A297-L372 HydrophobicContact CB-CD1 4Å; A297-L372 HydrophobicContact CB-CD2 3.77Å; A297-L372 HydrophobicContact CB-CG 3.8Å |
| 298 | A | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 172.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L296 F321 W369 V370 L372 | L296-A298 HydrophobicContact CD1-CB 3.64Å; A298-F321 HydrophobicContact CB-CB 3.68Å; A298-F321 HydrophobicContact CB-CD2 3.83Å; A298-F321 HydrophobicContact CB-CG 3.84Å; A298-W369 HydrophobicContact CB-CE3 4.18Å; A298-W369 HydrophobicContact CB-CZ3 4.44Å; A298-W369 VanDerWaalsContact O-CZ3 3.29Å; A298-W369 WeakPolarHBondContact O-CZ3 3.43Å; A298-V370 PolarHBondContact N-O 2.8Å; A298-L372 WeakPolarHBondContact O-CB 3.18Å; A298-L372 PolarHBondContact O-N 3.35Å |
| 299 | V | 98 | Very high | 95 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 140.2 | 174.2 | 174 | 0 | 0 | 0 | 0 | 109.8 | F321 N322 L372 H373 W376 N377 | V299-F321 WeakPolarHBondContact O-CA 3.45Å; V299-F321 WeakPolarHBondContact O-CB 3.42Å; V299-N322 PolarHBondContact O-N 3.04Å; V299-L372 HydrophobicContact CG2-CB 3.73Å; V299-L372 HydrophobicContact CG2-CD1 4.5Å; V299-H373 WeakPolarHBondContact CG2-O 3.2Å; V299-W376 HydrophobicContact CG2-CB 4.12Å; V299-N377 HydrophobicContact CB-CB 3.56Å; V299-N377 HydrophobicContact CG1-CB 3.96Å; V299-N377 HydrophobicContact CG2-CB 3.51Å |
| 300 | E | 97.6 | Very high | 95.2 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 9% | 0.089 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 135.6 | 176.4 | -165.9 | 164.7 | 176.5 | 0 | 0 | 112 | A302 F304 R319 Y320 W369 Q379 R391 | E300-A302 PolarHBondContact O-N 3.29Å; E300-F304 HydrophobicContact CG-CE1 4.33Å; E300-R319 WeakPolarHBondContact OE1-CG 3.17Å; E300-R319 IonicContact OE1-NE 3.96Å; E300-R319 IonicContact OE2-CZ 2.6Å; E300-R319 IonicContact OE2-NE 2.72Å; E300-R319 PolarHBondContact OE2-NE 3.48Å; E300-R319 IonicContact OE2-NH2 3.96Å; E300-R319 PolarHBondContact OE2-NH2 3.16Å; E300-Y320 WeakPolarHBondContact CG-O 3.23Å; E300-W369 HydrophobicContact CB-CH2 4.2Å; E300-Q379 PolarHBondContact O-NE2 3.25Å; E300-R391 IonicContact OE1-CZ 3.8Å; E300-R391 IonicContact OE1-NH1 3.86Å; E300-R391 IonicContact OE1-NH2 3.31Å; E300-R391 PolarHBondContact OE1-NH2 3.19Å; E300-R391 IonicContact OE2-CZ 3.28Å; E300-R391 VanDerWaalsContact OE2-CZ 3.28Å; E300-R391 IonicContact OE2-NH1 3.1Å; E300-R391 PolarHBondContact OE2-NH1 2.73Å; E300-R391 VanDerWaalsContact OE2-NH1 3.1Å; E300-R391 IonicContact OE2-NH2 2.64Å; E300-R391 PolarHBondContact OE2-NH2 2.56Å |
| 301 | D | 97.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 121.7 | 177.8 | -173.3 | -91.2 | 0 | 0 | 0 | 110 | G303 F304 Y320 N322 Q358 | D301-G303 PolarHBondContact O-N 3.21Å; D301-G303 VanDerWaalsContact OD1-CA 3.32Å; D301-G303 WeakPolarHBondContact OD1-CA 3.26Å; D301-G303 PolarHBondContact OD1-N 3.41Å; D301-F304 PolarHBondContact O-N 3.13Å; D301-Y320 HydrophobicContact CB-CD1 3.71Å; D301-Y320 HydrophobicContact CB-CE1 4.08Å; D301-Y320 WeakPolarHBondContact CB-O 3.4Å; D301-Y320 PolarHBondContact N-O 2.76Å; D301-N322 HydrophobicContact CB-CB 4.27Å; D301-Q358 PolarHBondContact OD2-NE2 3.08Å |
| 302 | A | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -9.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E300 F304 Q379 I382 I387 Y398 | E300-A302 PolarHBondContact O-N 3.29Å; A302-F304 VanDerWaalsContact C-N 3.3Å; A302-F304 WeakPolarHBondContact O-CD2 3.1Å; A302-F304 PolarHBondContact O-N 3.17Å; A302-Q379 HydrophobicContact CB-CB 4.29Å; A302-I382 HydrophobicContact CB-CD1 4.02Å; A302-I382 HydrophobicContact CB-CG1 3.61Å; A302-I387 HydrophobicContact CB-CG2 4.47Å; A302-I387 VanDerWaalsContact O-CD1 3.26Å; A302-I387 WeakPolarHBondContact O-CD1 3.27Å; A302-I387 WeakPolarHBondContact O-CG2 3.27Å; A302-Y398 WeakPolarHBondContact CA-OH 3.45Å; A302-Y398 WeakPolarHBondContact CB-OH 3.48Å |
| 303 | G | 93.3 | Very high | 95.6 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 5% | 0.052 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -17.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | D301 H305 | D301-G303 PolarHBondContact O-N 3.21Å; D301-G303 VanDerWaalsContact OD1-CA 3.32Å; D301-G303 WeakPolarHBondContact OD1-CA 3.26Å; D301-G303 PolarHBondContact OD1-N 3.41Å; G303-H305 PolarHBondContact O-CE1 3.45Å; G303-H305 PolarHBondContact O-N 3.15Å; G303-H305 PolarHBondContact O-ND1 3.27Å; G303-H305 VanDerWaalsContact O-ND1 3.09Å |
| 304 | F | 90.5 | Very high | 95.7 | Very high | 46 Ų | 46 | 41.2 Ų | 41.2 | 20% | 0.202 | 21% | 0.205 | C | C | . | . | trans | 43.5 | 41.1 | -179.7 | -64.1 | -75 | 0 | 0 | 0 | 113.8 | E300 D301 A302 Q306 I387 P390 Y398 | E300-F304 HydrophobicContact CG-CE1 4.33Å; D301-F304 PolarHBondContact O-N 3.13Å; A302-F304 VanDerWaalsContact C-N 3.3Å; A302-F304 WeakPolarHBondContact O-CD2 3.1Å; A302-F304 PolarHBondContact O-N 3.17Å; F304-Q306 PolarHBondContact O-N 3.02Å; F304-I387 HydrophobicContact CD2-CD1 4.07Å; F304-I387 HydrophobicContact CD2-CG1 4.16Å; F304-P390 HydrophobicContact CD1-CG 3.8Å; F304-P390 HydrophobicContact CE1-CG 3.8Å; F304-P390 HydrophobicContact CG-CG 4.19Å; F304-P390 HydrophobicContact CZ-CG 4.19Å; F304-Y398 HydrophobicContact CE2-CE2 4.15Å; F304-Y398 VanDerWaalsContact CE2-OH 3.22Å; F304-Y398 WeakPolarHBondContact CE2-OH 3.4Å; F304-Y398 WeakPolarHBondContact CZ-OH 3.35Å | ||
| 305 | H | 89.4 | Confident | 95.6 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 20% | 0.204 | 20% | 0.203 | C | C | . | . | trans | -73.5 | 3.7 | -169.4 | -66.3 | -46.3 | 0 | 0 | 0 | 115.1 | G303 R307 K310 F355 | G303-H305 PolarHBondContact O-CE1 3.45Å; G303-H305 PolarHBondContact O-N 3.15Å; G303-H305 PolarHBondContact O-ND1 3.27Å; G303-H305 VanDerWaalsContact O-ND1 3.09Å; H305-R307 VanDerWaalsContact C-N 3.28Å; H305-R307 HydrophobicContact CB-CG 3.84Å; H305-R307 PolarHBondContact O-N 3.42Å; H305-K310 WeakPolarHBondContact O-CE 3.46Å; H305-K310 PolarHBondContact O-NZ 3.02Å; H305-F355 HydrophobicContact CB-CE2 3.98Å; H305-F355 AromaticContact CD2-CE2 3.35Å; H305-F355 WeakPolarHBondContact CD2-CE2 3.43Å; H305-F355 AromaticContact CD2-CZ 3.35Å; H305-F355 WeakPolarHBondContact CD2-CZ 3.47Å; H305-F355 AromaticContact CG-CE2 3.88Å; H305-F355 AromaticContact NE2-CZ 3.81Å | ||
| 306 | Q | 92.9 | Very high | 95.4 | Very high | 120 Ų | 120 | 49.4 Ų | 49.4 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | trans | 52.2 | 45.7 | -178 | -61.9 | 165.7 | 10.3 | 0 | 0 | 111.7 | F304 K310 | F304-Q306 PolarHBondContact O-N 3.02Å; Q306-K310 WeakPolarHBondContact O-CB 3.21Å; Q306-K310 VanDerWaalsContact O-CG 3.31Å; Q306-K310 WeakPolarHBondContact O-CG 3.41Å; Q306-K310 PolarHBondContact O-N 2.98Å; Q306-K310 VanDerWaalsContact O-N 3.12Å | ||
| 307 | R | 95.8 | Very high | 95 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 6% | 0.06 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -42.9 | -171.2 | -66.8 | -57.5 | -59.6 | 148 | 4.7 | 112.9 | H305 E309 K310 M311 Y320 K352 R354 F355 D359 | H305-R307 VanDerWaalsContact C-N 3.28Å; H305-R307 HydrophobicContact CB-CG 3.84Å; H305-R307 PolarHBondContact O-N 3.42Å; R307-E309 VanDerWaalsContact C-N 3.34Å; R307-E309 PolarHBondContact O-N 3.02Å; R307-K310 PolarHBondContact O-N 3.45Å; R307-K310 VanDerWaalsContact O-N 3.16Å; R307-M311 HydrophobicContact CB-CE 4.25Å; R307-M311 WeakPolarHBondContact O-CB 3.12Å; R307-M311 VanDerWaalsContact O-CG 3.27Å; R307-M311 WeakPolarHBondContact O-CG 3.34Å; R307-M311 PolarHBondContact O-N 2.78Å; R307-Y320 HydrophobicContact CB-CD2 3.68Å; R307-Y320 HydrophobicContact CB-CE2 3.41Å; R307-Y320 VanDerWaalsContact CB-CE2 3.41Å; R307-Y320 HydrophobicContact CB-CG 4.35Å; R307-Y320 HydrophobicContact CG-CD2 4.4Å; R307-Y320 HydrophobicContact CG-CE1 4.3Å; R307-Y320 HydrophobicContact CG-CE2 3.94Å; R307-K352 PolarHBondContact NH2-O 2.89Å; R307-R354 VanDerWaalsContact CZ-CB 3.44Å; R307-R354 VanDerWaalsContact NH2-CB 3.27Å; R307-F355 HydrophobicContact CG-CD2 3.84Å; R307-F355 HydrophobicContact CG-CE2 3.83Å; R307-D359 WeakPolarHBondContact CB-OD1 2.97Å; R307-D359 WeakPolarHBondContact CG-OD1 3.21Å; R307-D359 IonicContact CZ-OD1 3.88Å; R307-D359 IonicContact CZ-OD2 3.36Å; R307-D359 IonicContact NE-OD1 3.05Å; R307-D359 PolarHBondContact NE-OD1 2.98Å; R307-D359 IonicContact NE-OD2 3.21Å; R307-D359 PolarHBondContact NE-OD2 3.27Å; R307-D359 IonicContact NH2-OD1 3.77Å; R307-D359 IonicContact NH2-OD2 2.68Å; R307-D359 PolarHBondContact NH2-OD2 3.2Å |
| 308 | L | 96.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56 | -48.2 | 178.4 | -67.1 | 170.1 | 0 | 0 | 0 | 111.7 | M311 G312 I313 T315 R319 Y320 N362 H366 | L308-M311 HydrophobicContact CD2-CE 4.2Å; L308-M311 PolarHBondContact O-N 3.23Å; L308-G312 PolarHBondContact O-N 3.13Å; L308-G312 VanDerWaalsContact O-N 3.13Å; L308-I313 HydrophobicContact CB-CB 4.44Å; L308-I313 HydrophobicContact CD2-CB 4.25Å; L308-I313 HydrophobicContact CD2-CG1 4.32Å; L308-I313 HydrophobicContact CD2-CG2 4.4Å; L308-I313 PolarHBondContact O-N 2.95Å; L308-T315 HydrophobicContact CB-CG2 4.42Å; L308-T315 HydrophobicContact CD1-CG2 4.15Å; L308-R319 VanDerWaalsContact CD1-O 3.31Å; L308-R319 WeakPolarHBondContact CD1-O 3.48Å; L308-Y320 HydrophobicContact CD2-CD2 4.49Å; L308-Y320 HydrophobicContact CG-CD2 4.16Å; L308-N362 HydrophobicContact CD2-CB 4.15Å; L308-N362 WeakPolarHBondContact CD2-O 3.37Å; L308-H366 HydrophobicContact CD1-CB 4.4Å; L308-H366 HydrophobicContact CD2-CB 4.24Å |
| 309 | E | 95.1 | Very high | 94.4 | Very high | 118 Ų | 118 | 59.7 Ų | 59.7 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.5 | -48 | 175.2 | -176.6 | -177.7 | 175.5 | 0 | 0 | 111.8 | R307 M311 G312 | R307-E309 VanDerWaalsContact C-N 3.34Å; R307-E309 PolarHBondContact O-N 3.02Å; E309-M311 PolarHBondContact O-N 3.38Å; E309-G312 WeakPolarHBondContact O-CA 3.36Å; E309-G312 PolarHBondContact O-N 3.31Å |
| 310 | K | 95.5 | Very high | 94.4 | Very high | 120 Ų | 120 | 60.2 Ų | 60.2 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -26.6 | 179.2 | -73.5 | 171.7 | -176.7 | 164.2 | 0 | 113.5 | H305 Q306 R307 G312 | H305-K310 WeakPolarHBondContact O-CE 3.46Å; H305-K310 PolarHBondContact O-NZ 3.02Å; Q306-K310 WeakPolarHBondContact O-CB 3.21Å; Q306-K310 VanDerWaalsContact O-CG 3.31Å; Q306-K310 WeakPolarHBondContact O-CG 3.41Å; Q306-K310 PolarHBondContact O-N 2.98Å; Q306-K310 VanDerWaalsContact O-N 3.12Å; R307-K310 PolarHBondContact O-N 3.45Å; R307-K310 VanDerWaalsContact O-N 3.16Å; K310-G312 VanDerWaalsContact C-N 3.32Å |
| 311 | M | 96.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -6.2 | 173.4 | -65.7 | -173.2 | -63.8 | 0 | 0 | 112.6 | R307 L308 E309 I313 Y320 F345 K352 L353 D359 A363 | R307-M311 HydrophobicContact CB-CE 4.25Å; R307-M311 WeakPolarHBondContact O-CB 3.12Å; R307-M311 VanDerWaalsContact O-CG 3.27Å; R307-M311 WeakPolarHBondContact O-CG 3.34Å; R307-M311 PolarHBondContact O-N 2.78Å; L308-M311 HydrophobicContact CD2-CE 4.2Å; L308-M311 PolarHBondContact O-N 3.23Å; E309-M311 PolarHBondContact O-N 3.38Å; M311-I313 HydrophobicContact CB-CD1 4.35Å; M311-I313 HydrophobicContact CB-CG1 3.92Å; M311-I313 HydrophobicContact CE-CG1 4.49Å; M311-Y320 HydrophobicContact CE-CE2 4.46Å; M311-F345 HydrophobicContact SD-CE1 4.39Å; M311-K352 HydrophobicContact CB-CD 4.46Å; M311-K352 HydrophobicContact CG-CB 4.13Å; M311-K352 WeakPolarHBondContact O-CD 3.21Å; M311-L353 HydrophobicContact SD-CD2 4.36Å; M311-D359 HydrophobicContact CE-CB 4.17Å; M311-D359 WeakPolarHBondContact CE-O 3.32Å; M311-D359 HydrophobicContact SD-CB 3.62Å; M311-A363 HydrophobicContact CE-CB 4.18Å |
| 312 | G | 95.8 | Very high | 94.4 | Very high | 60 Ų | 60 | 59.1 Ų | 59.1 | 62% | 0.619 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 22.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | L308 E309 K310 | L308-G312 PolarHBondContact O-N 3.13Å; L308-G312 VanDerWaalsContact O-N 3.13Å; E309-G312 WeakPolarHBondContact O-CA 3.36Å; E309-G312 PolarHBondContact O-N 3.31Å; K310-G312 VanDerWaalsContact C-N 3.32Å |
| 313 | I | 96.5 | Very high | 94.4 | Very high | 31 Ų | 31 | 59.4 Ų | 59.4 | 16% | 0.159 | 30% | 0.295 | C | S | . | . | trans | -79.6 | 125.6 | 179.5 | -48.7 | -56.8 | 0 | 0 | 0 | 108.8 | L308 M311 T315 F345 A363 | L308-I313 HydrophobicContact CB-CB 4.44Å; L308-I313 HydrophobicContact CD2-CB 4.25Å; L308-I313 HydrophobicContact CD2-CG1 4.32Å; L308-I313 HydrophobicContact CD2-CG2 4.4Å; L308-I313 PolarHBondContact O-N 2.95Å; M311-I313 HydrophobicContact CB-CD1 4.35Å; M311-I313 HydrophobicContact CB-CG1 3.92Å; M311-I313 HydrophobicContact CE-CG1 4.49Å; I313-T315 HydrophobicContact CB-CG2 4.21Å; I313-T315 HydrophobicContact CG2-CG2 3.65Å; I313-F345 HydrophobicContact CD1-CE2 3.69Å; I313-F345 HydrophobicContact CD1-CZ 3.81Å; I313-A363 HydrophobicContact CD1-CB 3.97Å; I313-A363 HydrophobicContact CG1-CB 4.05Å | ||
| 314 | K | 94.4 | Very high | 94.5 | Very high | 196 Ų | 196 | 59.1 Ų | 59.1 | 85% | 0.852 | 29% | 0.292 | S | S | * | . | trans | -84.8 | 116.5 | 175.2 | -67.8 | -178 | -178.5 | 177 | 0 | 109 | ||||
| 315 | T | 93.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 57 Ų | 57 | 22% | 0.221 | 28% | 0.282 | C | S | . | . | trans | -132.1 | 161 | -175.5 | 70 | 0 | 0 | 0 | 0 | 111 | L308 I313 S317 N318 H366 | L308-T315 HydrophobicContact CB-CG2 4.42Å; L308-T315 HydrophobicContact CD1-CG2 4.15Å; I313-T315 HydrophobicContact CB-CG2 4.21Å; I313-T315 HydrophobicContact CG2-CG2 3.65Å; T315-S317 VanDerWaalsContact CB-O 3.23Å; T315-S317 WeakPolarHBondContact CB-O 3.41Å; T315-S317 VanDerWaalsContact OG1-C 3.27Å; T315-S317 PolarHBondContact OG1-O 3.45Å; T315-N318 PolarHBondContact OG1-OD1 2.98Å; T315-H366 HydrophobicContact CG2-CB 3.66Å; T315-H366 VanDerWaalsContact CG2-CD2 3.46Å; T315-H366 WeakPolarHBondContact CG2-CD2 3.17Å | ||
| 316 | K | 92.4 | Very high | 95.2 | Very high | 205 Ų | 205 | 54.9 Ų | 54.9 | 89% | 0.891 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -78.3 | -35.6 | 167.7 | -61.6 | 174.6 | -176.7 | 170.1 | 0 | 110.5 | D367 | K316-D367 PolarHBondContact N-OD2 3.05Š|
| 317 | S | 90.1 | Very high | 95.5 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | trans | -121.4 | 134.4 | 179.5 | 179.7 | 0 | 0 | 0 | 0 | 111 | T315 R319 D367 | T315-S317 VanDerWaalsContact CB-O 3.23Å; T315-S317 WeakPolarHBondContact CB-O 3.41Å; T315-S317 VanDerWaalsContact OG1-C 3.27Å; T315-S317 PolarHBondContact OG1-O 3.45Å; S317-R319 PolarHBondContact O-N 3.14Å; S317-R319 WeakPolarHBondContact OG-CB 3.36Å; S317-R319 WeakPolarHBondContact OG-CG 3.4Å; S317-R319 PolarHBondContact OG-N 3.09Å; S317-D367 VanDerWaalsContact CB-OD1 3.25Å; S317-D367 WeakPolarHBondContact CB-OD1 3.46Å; S317-D367 PolarHBondContact N-OD1 3.22Å | ||
| 318 | N | 90.9 | Very high | 95.6 | Very high | 110 Ų | 110 | 48.4 Ų | 48.4 | 59% | 0.588 | 24% | 0.243 | S | C | * | . | trans | -84.6 | 8.5 | 172.7 | -80.7 | -25.1 | 0 | 0 | 0 | 113.1 | T315 | T315-N318 PolarHBondContact OG1-OD1 2.98Š| ||
| 319 | R | 94.7 | Very high | 95.6 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 24% | 0.242 | 25% | 0.251 | C | S | . | . | trans | -64.6 | 136.3 | 176.8 | -64.8 | -178.5 | 76.5 | 163.8 | 5.9 | 109.7 | E300 L308 S317 W369 P371 | E300-R319 WeakPolarHBondContact OE1-CG 3.17Å; E300-R319 IonicContact OE1-NE 3.96Å; E300-R319 IonicContact OE2-CZ 2.6Å; E300-R319 IonicContact OE2-NE 2.72Å; E300-R319 PolarHBondContact OE2-NE 3.48Å; E300-R319 IonicContact OE2-NH2 3.96Å; E300-R319 PolarHBondContact OE2-NH2 3.16Å; L308-R319 VanDerWaalsContact CD1-O 3.31Å; L308-R319 WeakPolarHBondContact CD1-O 3.48Å; S317-R319 PolarHBondContact O-N 3.14Å; S317-R319 WeakPolarHBondContact OG-CB 3.36Å; S317-R319 WeakPolarHBondContact OG-CG 3.4Å; S317-R319 PolarHBondContact OG-N 3.09Å; R319-W369 HydrophobicContact CB-CH2 4.33Å; R319-W369 HydrophobicContact CB-CZ2 3.69Å; R319-P371 VanDerWaalsContact CZ-CG 3.47Å | ||
| 320 | Y | 97.4 | Very high | 95.7 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | trans | -134.5 | 122.1 | -175.4 | 174.4 | -81.9 | 0 | 0 | 0 | 107.9 | E300 D301 R307 L308 M311 Q358 D359 N362 | E300-Y320 WeakPolarHBondContact CG-O 3.23Å; D301-Y320 HydrophobicContact CB-CD1 3.71Å; D301-Y320 HydrophobicContact CB-CE1 4.08Å; D301-Y320 WeakPolarHBondContact CB-O 3.4Å; D301-Y320 PolarHBondContact N-O 2.76Å; R307-Y320 HydrophobicContact CB-CD2 3.68Å; R307-Y320 HydrophobicContact CB-CE2 3.41Å; R307-Y320 VanDerWaalsContact CB-CE2 3.41Å; R307-Y320 HydrophobicContact CB-CG 4.35Å; R307-Y320 HydrophobicContact CG-CD2 4.4Å; R307-Y320 HydrophobicContact CG-CE1 4.3Å; R307-Y320 HydrophobicContact CG-CE2 3.94Å; L308-Y320 HydrophobicContact CD2-CD2 4.49Å; L308-Y320 HydrophobicContact CG-CD2 4.16Å; M311-Y320 HydrophobicContact CE-CE2 4.46Å; Y320-Q358 HydrophobicContact CE1-CG 3.89Å; Y320-Q358 WeakPolarHBondContact OH-CG 3.23Å; Y320-Q358 PolarHBondContact OH-NE2 3.08Å; Y320-D359 WeakPolarHBondContact CE2-OD1 3.45Å; Y320-D359 PolarHBondContact OH-N 3.27Å; Y320-D359 PolarHBondContact OH-OD1 3.03Å; Y320-N362 VanDerWaalsContact CA-OD1 3.25Å; Y320-N362 WeakPolarHBondContact CA-OD1 3Å; Y320-N362 HydrophobicContact CD2-CB 3.36Å; Y320-N362 HydrophobicContact CE2-CB 3.42Å; Y320-N362 VanDerWaalsContact CE2-CB 3.42Å; Y320-N362 HydrophobicContact CG-CB 4.26Å | ||
| 321 | F | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 151.5 | -174.4 | 66.1 | -97.6 | 0 | 0 | 0 | 112.7 | L296 A298 V299 M326 Q358 L361 N362 L365 W369 | L296-F321 HydrophobicContact CD1-CE1 4.45Å; L296-F321 HydrophobicContact CD1-CZ 4.44Å; L296-F321 HydrophobicContact CD2-CZ 4.07Å; A298-F321 HydrophobicContact CB-CB 3.68Å; A298-F321 HydrophobicContact CB-CD2 3.83Å; A298-F321 HydrophobicContact CB-CG 3.84Å; V299-F321 WeakPolarHBondContact O-CA 3.45Å; V299-F321 WeakPolarHBondContact O-CB 3.42Å; F321-M326 HydrophobicContact CE2-CG 4.42Å; F321-M326 HydrophobicContact CE2-SD 3.89Å; F321-Q358 WeakPolarHBondContact O-CG 3.48Å; F321-L361 HydrophobicContact CE2-CB 4.37Å; F321-L361 HydrophobicContact CZ-CB 3.93Å; F321-N362 WeakPolarHBondContact CD1-OD1 3.27Å; F321-N362 WeakPolarHBondContact CE1-OD1 3.3Å; F321-N362 PolarHBondContact N-OD1 3.07Å; F321-N362 PolarHBondContact O-ND2 3.25Å; F321-L365 HydrophobicContact CE1-CB 4.31Å; F321-L365 HydrophobicContact CZ-CD1 4.44Å; F321-W369 HydrophobicContact CB-CD2 4.25Å; F321-W369 HydrophobicContact CB-CE3 4.04Å; F321-W369 HydrophobicContact CB-CH2 3.76Å; F321-W369 HydrophobicContact CB-CZ2 3.95Å; F321-W369 HydrophobicContact CB-CZ3 3.79Å; F321-W369 AromaticContact CD1-CD1 3.97Å; F321-W369 AromaticContact CD1-CD2 3.85Å; F321-W369 HydrophobicContact CD1-CD2 3.85Å; F321-W369 AromaticContact CD1-CE2 3.82Å; F321-W369 HydrophobicContact CD1-CE3 4.39Å; F321-W369 AromaticContact CD1-CG 3.97Å; F321-W369 HydrophobicContact CD1-CG 3.97Å; F321-W369 HydrophobicContact CD1-CZ2 4.34Å; F321-W369 AromaticContact CD1-NE1 3.88Å; F321-W369 HydrophobicContact CE1-CG 4.4Å; F321-W369 HydrophobicContact CG-CD2 4.43Å |
| 322 | N | 97.5 | Very high | 95.7 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 126.6 | 167.5 | 175.3 | -99.8 | 0 | 0 | 0 | 109.4 | V299 D301 G324 Q358 N377 H409 | V299-N322 PolarHBondContact O-N 3.04Å; D301-N322 HydrophobicContact CB-CB 4.27Å; N322-G324 PolarHBondContact O-N 2.81Å; N322-G324 PolarHBondContact OD1-N 3.05Å; N322-G324 VanDerWaalsContact OD1-N 3.12Å; N322-Q358 VanDerWaalsContact CA-OE1 3.23Å; N322-Q358 PolarHBondContact ND2-OE1 3.44Å; N322-N377 PolarHBondContact OD1-ND2 3.42Å; N322-H409 PolarHBondContact OD1-CE1 3.05Å; N322-H409 PolarHBondContact OD1-ND1 3.15Å |
| 323 | S | 95.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 0.8 | -174.8 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | R255 Y272 D357 Q358 | R255-S323 VanDerWaalsContact NH1-C 3.26Å; R255-S323 PolarHBondContact NH1-O 2.87Å; R255-S323 PolarHBondContact NH1-OG 2.73Å; Y272-S323 WeakPolarHBondContact CE1-O 3.39Å; S323-D357 PolarHBondContact OG-OD2 3.1Å; S323-Q358 WeakPolarHBondContact OG-CB 3.44Å |
| 324 | G | 95 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -23.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M273 D274 M277 N322 | M273-G324 CarbonylContact C-O 3.4Å; M273-G324 VanDerWaalsContact CA-O 3.31Å; M273-G324 WeakPolarHBondContact CA-O 3.47Å; D274-G324 VanDerWaalsContact CG-CA 3.48Å; D274-G324 PolarHBondContact N-O 3.12Å; D274-G324 WeakPolarHBondContact OD2-CA 3.48Å; M277-G324 WeakPolarHBondContact CE-O 3.37Å; N322-G324 PolarHBondContact O-N 2.81Å; N322-G324 PolarHBondContact OD1-N 3.05Å; N322-G324 VanDerWaalsContact OD1-N 3.12Å |
| 325 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 120.9 | 174.4 | -177.5 | 137.1 | 0 | 0 | 0 | 109.7 | L271 Y272 M273 M277 L286 L372 W376 N377 I407 | L271-L325 HydrophobicContact CD1-CG 4.24Å; Y272-L325 WeakPolarHBondContact O-CA 3.46Å; M273-L325 HydrophobicContact CE-CD1 4.4Å; M273-L325 HydrophobicContact CG-CD1 4.12Å; M277-L325 HydrophobicContact CE-CB 3.93Å; M277-L325 HydrophobicContact SD-CB 4.35Å; M277-L325 HydrophobicContact SD-CD1 4.36Å; L286-L325 HydrophobicContact CD1-CD2 4.48Å; L286-L325 HydrophobicContact CD2-CD1 4.04Å; L286-L325 HydrophobicContact CD2-CD2 4.13Å; L325-L372 HydrophobicContact CD2-CD1 3.99Å; L325-W376 VanDerWaalsContact CD1-O 3.32Å; L325-W376 WeakPolarHBondContact CD1-O 3.22Å; L325-N377 HydrophobicContact CB-CB 4.37Å; L325-I407 HydrophobicContact CD1-CD1 3.52Å; L325-I407 HydrophobicContact CD1-CG2 4.46Å |
| 326 | M | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 123.2 | -179.2 | -58.6 | -178.4 | -70.8 | 0 | 0 | 110.1 | R255 Y272 L296 A297 F321 I328 L361 | R255-M326 HydrophobicContact CB-CE 4.42Å; R255-M326 HydrophobicContact CG-CE 4.31Å; Y272-M326 HydrophobicContact CD1-CE 3.63Å; Y272-M326 HydrophobicContact CE1-CE 4.2Å; Y272-M326 HydrophobicContact CG-CE 4.15Å; Y272-M326 PolarHBondContact N-O 2.69Å; Y272-M326 PolarHBondContact O-N 3.27Å; L296-M326 HydrophobicContact CD2-SD 4.05Å; A297-M326 WeakPolarHBondContact O-CA 3.38Å; F321-M326 HydrophobicContact CE2-CG 4.42Å; F321-M326 HydrophobicContact CE2-SD 3.89Å; M326-I328 HydrophobicContact CB-CD1 4.1Å; M326-I328 HydrophobicContact CB-CG1 3.78Å; M326-I328 HydrophobicContact CE-CD1 4.2Å; M326-L361 HydrophobicContact CE-CD1 4.31Å; M326-L361 HydrophobicContact SD-CD1 4.21Å |
| 327 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 107.1 | 165.1 | -175.4 | 68.4 | 0 | 0 | 0 | 107.8 | K269 V270 L271 L286 W287 L291 L296 A297 | K269-L327 HydrophobicContact CD-CD1 3.87Å; K269-L327 HydrophobicContact CD-CD2 4.2Å; K269-L327 HydrophobicContact CD-CG 4Å; K269-L327 HydrophobicContact CG-CD1 3.86Å; K269-L327 HydrophobicContact CG-CG 4.21Å; V270-L327 CarbonylContact O-C 3.53Å; L271-L327 HydrophobicContact CB-CD1 4.09Å; L271-L327 HydrophobicContact CD1-CB 4.37Å; L271-L327 HydrophobicContact CD1-CD1 4.34Å; L286-L327 WeakPolarHBondContact O-CD2 2.87Å; W287-L327 HydrophobicContact CD2-CD1 4.48Å; W287-L327 HydrophobicContact CE3-CD1 3.57Å; W287-L327 HydrophobicContact CZ3-CD1 3.95Å; L291-L327 HydrophobicContact CD1-CG 4.35Å; L291-L327 HydrophobicContact CD2-CB 4.47Å; L291-L327 HydrophobicContact CD2-CD2 3.98Å; L291-L327 HydrophobicContact CD2-CG 4.24Å; L291-L327 HydrophobicContact CG-CD2 4.35Å; L296-L327 CarbonylContact C-O 3.56Å; L296-L327 WeakPolarHBondContact CA-O 3.31Å; L296-L327 WeakPolarHBondContact CB-O 3.47Å; A297-L327 HydrophobicContact CB-CB 4.26Å; A297-L327 PolarHBondContact N-O 3.06Å; A297-L327 PolarHBondContact O-N 3.2Å |
| 328 | I | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.1 | -166.7 | -59.6 | 166.6 | 0 | 0 | 0 | 110 | P259 K269 V270 L296 M326 V330 W333 | P259-I328 HydrophobicContact CG-CD1 4.23Å; P259-I328 HydrophobicContact CG-CG2 3.94Å; K269-I328 VanDerWaalsContact CA-O 3.24Å; K269-I328 WeakPolarHBondContact CA-O 3.41Å; K269-I328 WeakPolarHBondContact CG-O 3.37Å; V270-I328 HydrophobicContact CG2-CB 3.83Å; V270-I328 HydrophobicContact CG2-CD1 4.22Å; V270-I328 HydrophobicContact CG2-CG1 4.49Å; V270-I328 HydrophobicContact CG2-CG2 4.46Å; V270-I328 PolarHBondContact N-O 3.06Å; V270-I328 PolarHBondContact O-N 3.36Å; L296-I328 HydrophobicContact CB-CG1 4.3Å; M326-I328 HydrophobicContact CB-CD1 4.1Å; M326-I328 HydrophobicContact CB-CG1 3.78Å; M326-I328 HydrophobicContact CE-CD1 4.2Å; I328-V330 PolarHBondContact O-N 2.97Å; I328-W333 HydrophobicContact CD1-CZ3 4.28Å; I328-W333 HydrophobicContact CG1-CZ3 4.35Å; I328-W333 HydrophobicContact CG2-CB 4.25Å; I328-W333 HydrophobicContact CG2-CD2 4.16Å; I328-W333 HydrophobicContact CG2-CE3 3.52Å; I328-W333 HydrophobicContact CG2-CG 4.49Å; I328-W333 HydrophobicContact CG2-CZ3 4.11Å |
| 329 | N | 97.4 | Very high | 96.5 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 17% | 0.166 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 97 | 163.9 | -174.3 | -29.9 | 0 | 0 | 0 | 108.3 | L291 I295 K331 K332 W333 | L291-N329 HydrophobicContact CD1-CB 3.74Å; I295-N329 WeakPolarHBondContact O-CB 3.5Å; I295-N329 PolarHBondContact O-N 2.81Å; N329-K331 VanDerWaalsContact C-N 3.3Å; N329-K331 PolarHBondContact O-N 3.27Å; N329-K331 PolarHBondContact OD1-N 3.05Å; N329-K332 HydrophobicContact CB-CB 4.12Å; N329-K332 PolarHBondContact O-N 3.39Å; N329-K332 PolarHBondContact OD1-N 3.06Å; N329-W333 WeakPolarHBondContact O-CB 3.39Å; N329-W333 PolarHBondContact O-N 3.41Å |
| 330 | V | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | -175.6 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | P259 F262 V267 E268 V270 I328 K332 W333 L334 | P259-V330 HydrophobicContact CB-CG1 4.4Å; F262-V330 HydrophobicContact CB-CG1 3.95Å; V267-V330 HydrophobicContact CG1-CG2 4.47Å; V267-V330 WeakPolarHBondContact O-CB 3.41Å; V267-V330 WeakPolarHBondContact O-CG1 3.48Å; E268-V330 PolarHBondContact O-N 3.46Å; V270-V330 HydrophobicContact CB-CG2 4.23Å; V270-V330 HydrophobicContact CG1-CG2 3.76Å; V270-V330 HydrophobicContact CG2-CG2 3.68Å; I328-V330 PolarHBondContact O-N 2.97Å; V330-K332 PolarHBondContact O-N 3.13Å; V330-W333 WeakPolarHBondContact O-CB 3.36Å; V330-W333 PolarHBondContact O-N 3.01Å; V330-L334 HydrophobicContact CG1-CD1 3.9Å; V330-L334 HydrophobicContact CG1-CG 4.27Å; V330-L334 VanDerWaalsContact O-CG 3.28Å; V330-L334 WeakPolarHBondContact O-CG 3.4Å; V330-L334 PolarHBondContact O-N 2.84Å |
| 331 | K | 94.6 | Very high | 96.3 | Very high | 118 Ų | 118 | 35.5 Ų | 35.5 | 51% | 0.513 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.9 | -51 | -179.8 | -177.5 | 178.3 | 174.9 | -180 | 0 | 111.3 | N329 W333 L334 E335 | N329-K331 VanDerWaalsContact C-N 3.3Å; N329-K331 PolarHBondContact O-N 3.27Å; N329-K331 PolarHBondContact OD1-N 3.05Å; K331-W333 VanDerWaalsContact C-N 3.35Å; K331-W333 PolarHBondContact O-N 2.9Å; K331-L334 PolarHBondContact O-N 3.28Å; K331-E335 WeakPolarHBondContact CE-OE1 3.25Å; K331-E335 HydrophobicContact CG-CG 4.47Å; K331-E335 WeakPolarHBondContact CG-OE1 3.42Å; K331-E335 WeakPolarHBondContact O-CB 3.41Å; K331-E335 VanDerWaalsContact O-CG 3.3Å; K331-E335 WeakPolarHBondContact O-CG 3.25Å; K331-E335 PolarHBondContact O-N 2.97Å |
| 332 | K | 96.1 | Very high | 96.2 | Very high | 38 Ų | 38 | 35.5 Ų | 35.5 | 17% | 0.165 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -38 | 177.4 | -95.8 | -175.2 | 165.7 | 175 | 0 | 113.2 | D293 I295 N329 V330 L334 E335 E336 | D293-K332 VanDerWaalsContact CG-NZ 3.32Å; D293-K332 WeakPolarHBondContact O-CD 3.35Å; D293-K332 PolarHBondContact O-NZ 3.08Å; D293-K332 IonicContact OD1-NZ 3.82Å; D293-K332 PolarHBondContact OD1-NZ 3.36Å; I295-K332 HydrophobicContact CG1-CB 4.42Å; N329-K332 HydrophobicContact CB-CB 4.12Å; N329-K332 PolarHBondContact O-N 3.39Å; N329-K332 PolarHBondContact OD1-N 3.06Å; V330-K332 PolarHBondContact O-N 3.13Å; K332-L334 VanDerWaalsContact C-N 3.29Å; K332-L334 PolarHBondContact O-N 2.9Å; K332-E335 PolarHBondContact O-N 3.18Å; K332-E336 VanDerWaalsContact O-CB 3.31Å; K332-E336 WeakPolarHBondContact O-CB 3.3Å; K332-E336 WeakPolarHBondContact O-CG 3.45Å; K332-E336 PolarHBondContact O-N 3.23Å |
| 333 | W | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.9 | -45.2 | 176.6 | -170.8 | -71.4 | 0 | 0 | 0 | 111.7 | I256 P259 I295 L296 I328 N329 V330 K331 N337 V338 T339 L361 L365 | I256-W333 WeakPolarHBondContact O-CZ2 3.5Å; P259-W333 HydrophobicContact CB-CB 4.03Å; P259-W333 VanDerWaalsContact CB-CD1 3.44Å; P259-W333 HydrophobicContact CB-CD2 4.08Å; P259-W333 HydrophobicContact CB-CG 3.6Å; P259-W333 HydrophobicContact CG-CB 4.39Å; P259-W333 HydrophobicContact CG-CD2 3.61Å; P259-W333 HydrophobicContact CG-CE3 4.15Å; P259-W333 HydrophobicContact CG-CG 3.71Å; P259-W333 HydrophobicContact CG-CZ2 4.16Å; I295-W333 HydrophobicContact CG2-CB 4.44Å; I295-W333 HydrophobicContact CG2-CD2 4.35Å; I295-W333 HydrophobicContact CG2-CE3 3.6Å; I295-W333 HydrophobicContact CG2-CZ3 4.33Å; L296-W333 HydrophobicContact CD2-CZ3 3.97Å; I328-W333 HydrophobicContact CD1-CZ3 4.28Å; I328-W333 HydrophobicContact CG1-CZ3 4.35Å; I328-W333 HydrophobicContact CG2-CB 4.25Å; I328-W333 HydrophobicContact CG2-CD2 4.16Å; I328-W333 HydrophobicContact CG2-CE3 3.52Å; I328-W333 HydrophobicContact CG2-CG 4.49Å; I328-W333 HydrophobicContact CG2-CZ3 4.11Å; N329-W333 WeakPolarHBondContact O-CB 3.39Å; N329-W333 PolarHBondContact O-N 3.41Å; V330-W333 WeakPolarHBondContact O-CB 3.36Å; V330-W333 PolarHBondContact O-N 3.01Å; K331-W333 VanDerWaalsContact C-N 3.35Å; K331-W333 PolarHBondContact O-N 2.9Å; W333-N337 PolarHBondContact O-N 3.34Å; W333-V338 HydrophobicContact CD2-CB 3.75Å; W333-V338 HydrophobicContact CD2-CG1 3.73Å; W333-V338 HydrophobicContact CD2-CG2 4.24Å; W333-V338 VanDerWaalsContact CE2-CG1 3.44Å; W333-V338 HydrophobicContact CE3-CB 4.45Å; W333-V338 HydrophobicContact CE3-CG1 4.07Å; W333-V338 HydrophobicContact CG-CB 3.86Å; W333-V338 HydrophobicContact CG-CG1 4.38Å; W333-V338 HydrophobicContact CG-CG2 4.19Å; W333-V338 HydrophobicContact CH2-CG1 3.99Å; W333-V338 HydrophobicContact CZ2-CB 4.3Å; W333-V338 HydrophobicContact CZ2-CG1 3.58Å; W333-V338 HydrophobicContact CZ3-CG1 4.21Å; W333-V338 PolarHBondContact O-N 3.4Å; W333-V338 VanDerWaalsContact O-N 3.13Å; W333-T339 PolarHBondContact NE1-OG1 2.78Å; W333-L361 HydrophobicContact CH2-CD2 3.53Å; W333-L361 HydrophobicContact CZ2-CD2 4.1Å; W333-L365 HydrophobicContact CH2-CD1 4.27Å; W333-L365 HydrophobicContact CZ3-CD1 3.92Å |
| 334 | L | 95.3 | Very high | 95.6 | Very high | 27 Ų | 27 | 40.5 Ų | 40.5 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.4 | -42.4 | 178.2 | -62.5 | 176.3 | 0 | 0 | 0 | 112.1 | E260 R263 V330 K331 K332 E336 N337 | E260-L334 HydrophobicContact CG-CD2 4.49Å; E260-L334 WeakPolarHBondContact OE1-CD2 3.33Å; E260-L334 WeakPolarHBondContact OE2-CD2 3.49Å; R263-L334 HydrophobicContact CB-CD1 4.37Å; V330-L334 HydrophobicContact CG1-CD1 3.9Å; V330-L334 HydrophobicContact CG1-CG 4.27Å; V330-L334 VanDerWaalsContact O-CG 3.28Å; V330-L334 WeakPolarHBondContact O-CG 3.4Å; V330-L334 PolarHBondContact O-N 2.84Å; K331-L334 PolarHBondContact O-N 3.28Å; K332-L334 VanDerWaalsContact C-N 3.29Å; K332-L334 PolarHBondContact O-N 2.9Å; L334-E336 VanDerWaalsContact C-N 3.34Å; L334-E336 PolarHBondContact O-N 2.97Å; L334-N337 PolarHBondContact O-N 3.24Å |
| 335 | E | 95.2 | Very high | 95.5 | Very high | 112 Ų | 112 | 41.5 Ų | 41.5 | 52% | 0.523 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.3 | -38.9 | 178.4 | -75.5 | 172.4 | 173.5 | 0 | 0 | 112.4 | K331 K332 N337 | K331-E335 WeakPolarHBondContact CE-OE1 3.25Å; K331-E335 HydrophobicContact CG-CG 4.47Å; K331-E335 WeakPolarHBondContact CG-OE1 3.42Å; K331-E335 WeakPolarHBondContact O-CB 3.41Å; K331-E335 VanDerWaalsContact O-CG 3.3Å; K331-E335 WeakPolarHBondContact O-CG 3.25Å; K331-E335 PolarHBondContact O-N 2.97Å; K332-E335 PolarHBondContact O-N 3.18Å; E335-N337 VanDerWaalsContact C-N 3.31Å; E335-N337 PolarHBondContact O-N 3.46Å |
| 336 | E | 96.7 | Very high | 95.1 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 45% | 0.453 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 5.5 | -177.6 | -68.2 | -69.2 | 156.7 | 0 | 0 | 113.8 | I295 K332 L334 V338 R341 | I295-E336 HydrophobicContact CD1-CB 4.35Å; I295-E336 HydrophobicContact CD1-CG 4.34Å; K332-E336 VanDerWaalsContact O-CB 3.31Å; K332-E336 WeakPolarHBondContact O-CB 3.3Å; K332-E336 WeakPolarHBondContact O-CG 3.45Å; K332-E336 PolarHBondContact O-N 3.23Å; L334-E336 VanDerWaalsContact C-N 3.34Å; L334-E336 PolarHBondContact O-N 2.97Å; E336-V338 HydrophobicContact CB-CG2 3.94Å; E336-V338 PolarHBondContact O-N 3.38Å; E336-R341 VanDerWaalsContact O-CD 3.29Å; E336-R341 WeakPolarHBondContact O-CD 3.33Å; E336-R341 PolarHBondContact O-NH1 2.93Å; E336-R341 IonicContact OE2-NH1 2.81Å |
| 337 | N | 96.2 | Very high | 94.6 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 43% | 0.428 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 45 | -176.8 | -58.4 | -64.5 | 0 | 0 | 0 | 112.5 | W333 L334 E335 T339 E340 R341 | W333-N337 PolarHBondContact O-N 3.34Å; L334-N337 PolarHBondContact O-N 3.24Å; E335-N337 VanDerWaalsContact C-N 3.31Å; E335-N337 PolarHBondContact O-N 3.46Å; N337-T339 VanDerWaalsContact C-N 3.33Å; N337-T339 PolarHBondContact O-N 3.14Å; N337-E340 PolarHBondContact O-N 3.2Å; N337-R341 WeakPolarHBondContact O-CD 3.35Å; N337-R341 WeakPolarHBondContact O-CG 3.25Å; N337-R341 PolarHBondContact O-N 3.11Å; N337-R341 VanDerWaalsContact O-N 3.17Å |
| 338 | V | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | -172.5 | 173.4 | 0 | 0 | 0 | 0 | 111 | I295 W333 E336 E340 R341 V342 I364 L365 | I295-V338 HydrophobicContact CD1-CG2 3.89Å; I295-V338 HydrophobicContact CG2-CG2 4.16Å; W333-V338 HydrophobicContact CD2-CB 3.75Å; W333-V338 HydrophobicContact CD2-CG1 3.73Å; W333-V338 HydrophobicContact CD2-CG2 4.24Å; W333-V338 VanDerWaalsContact CE2-CG1 3.44Å; W333-V338 HydrophobicContact CE3-CB 4.45Å; W333-V338 HydrophobicContact CE3-CG1 4.07Å; W333-V338 HydrophobicContact CG-CB 3.86Å; W333-V338 HydrophobicContact CG-CG1 4.38Å; W333-V338 HydrophobicContact CG-CG2 4.19Å; W333-V338 HydrophobicContact CH2-CG1 3.99Å; W333-V338 HydrophobicContact CZ2-CB 4.3Å; W333-V338 HydrophobicContact CZ2-CG1 3.58Å; W333-V338 HydrophobicContact CZ3-CG1 4.21Å; W333-V338 PolarHBondContact O-N 3.4Å; W333-V338 VanDerWaalsContact O-N 3.13Å; E336-V338 HydrophobicContact CB-CG2 3.94Å; E336-V338 PolarHBondContact O-N 3.38Å; V338-E340 PolarHBondContact O-N 2.58Å; V338-R341 PolarHBondContact O-N 3.49Å; V338-V342 HydrophobicContact CG1-CG2 3.98Å; V338-V342 WeakPolarHBondContact O-CG2 3.45Å; V338-V342 PolarHBondContact O-N 2.8Å; V338-I364 HydrophobicContact CG1-CG2 4.45Å; V338-L365 HydrophobicContact CG1-CD1 4.11Å; V338-L365 HydrophobicContact CG1-CD2 3.77Å; V338-L365 HydrophobicContact CG1-CG 4.18Å; V338-L365 HydrophobicContact CG2-CD2 4Å |
| 339 | T | 93.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.043 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.6 | -54.2 | 179.2 | -48 | 0 | 0 | 0 | 0 | 111.8 | I256 E257 E260 W333 N337 R341 V342 F343 | I256-T339 HydrophobicContact CG2-CG2 4.19Å; E257-T339 WeakPolarHBondContact OE2-CG2 3.1Å; E260-T339 HydrophobicContact CG-CG2 3.76Å; E260-T339 WeakPolarHBondContact CG-OG1 3.38Å; E260-T339 WeakPolarHBondContact OE1-CB 3.21Å; E260-T339 PolarHBondContact OE1-OG1 3.22Å; W333-T339 PolarHBondContact NE1-OG1 2.78Å; N337-T339 VanDerWaalsContact C-N 3.33Å; N337-T339 PolarHBondContact O-N 3.14Å; T339-R341 PolarHBondContact O-N 3.25Å; T339-V342 PolarHBondContact O-N 3.02Å; T339-F343 HydrophobicContact CG2-CD2 3.93Å; T339-F343 HydrophobicContact CG2-CE2 3.59Å; T339-F343 VanDerWaalsContact O-CD2 3.26Å; T339-F343 WeakPolarHBondContact O-CD2 3.46Å; T339-F343 PolarHBondContact O-N 3.22Å |
| 340 | E | 92.4 | Very high | 93.5 | Very high | 133 Ų | 133 | 54.5 Ų | 54.5 | 62% | 0.621 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.5 | -44.6 | -179.2 | -176.1 | 173.5 | -174.3 | 0 | 0 | 111.5 | N337 V338 V342 F343 Q344 | N337-E340 PolarHBondContact O-N 3.2Å; V338-E340 PolarHBondContact O-N 2.58Å; E340-V342 VanDerWaalsContact C-N 3.31Å; E340-V342 PolarHBondContact O-N 3.28Å; E340-F343 PolarHBondContact O-N 3.36Å; E340-Q344 WeakPolarHBondContact O-CB 3.42Å; E340-Q344 PolarHBondContact O-N 3.02Å |
| 341 | R | 96 | Very high | 93.1 | Very high | 87 Ų | 87 | 61.2 Ų | 61.2 | 33% | 0.328 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 178 | -69.8 | 165.5 | 59.3 | -169 | -3 | 112.3 | E336 N337 V338 T339 F345 I364 | E336-R341 VanDerWaalsContact O-CD 3.29Å; E336-R341 WeakPolarHBondContact O-CD 3.33Å; E336-R341 PolarHBondContact O-NH1 2.93Å; E336-R341 IonicContact OE2-NH1 2.81Å; N337-R341 WeakPolarHBondContact O-CD 3.35Å; N337-R341 WeakPolarHBondContact O-CG 3.25Å; N337-R341 PolarHBondContact O-N 3.11Å; N337-R341 VanDerWaalsContact O-N 3.17Å; V338-R341 PolarHBondContact O-N 3.49Å; T339-R341 PolarHBondContact O-N 3.25Å; R341-F345 WeakPolarHBondContact O-CB 3.33Å; R341-F345 PolarHBondContact O-N 3.17Å; R341-I364 HydrophobicContact CB-CD1 4.17Å; R341-I364 HydrophobicContact CB-CG1 4.32Å; R341-I364 HydrophobicContact CB-CG2 3.95Å |
| 342 | V | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 178 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | I256 V338 T339 E340 F345 I346 A360 L361 I364 | I256-V342 HydrophobicContact CD1-CG1 3.66Å; I256-V342 HydrophobicContact CG1-CG1 4.03Å; I256-V342 HydrophobicContact CG2-CB 3.88Å; I256-V342 HydrophobicContact CG2-CG1 3.76Å; V338-V342 HydrophobicContact CG1-CG2 3.98Å; V338-V342 WeakPolarHBondContact O-CG2 3.45Å; V338-V342 PolarHBondContact O-N 2.8Å; T339-V342 PolarHBondContact O-N 3.02Å; E340-V342 VanDerWaalsContact C-N 3.31Å; E340-V342 PolarHBondContact O-N 3.28Å; V342-F345 PolarHBondContact O-N 3.43Å; V342-I346 HydrophobicContact CG1-CD1 4.09Å; V342-I346 VanDerWaalsContact O-CG1 3.32Å; V342-I346 WeakPolarHBondContact O-CG1 3.18Å; V342-I346 PolarHBondContact O-N 3.2Å; V342-A360 HydrophobicContact CG1-CB 3.74Å; V342-L361 HydrophobicContact CG1-CD2 4.37Å; V342-L361 HydrophobicContact CG1-CG 4.48Å; V342-L361 HydrophobicContact CG2-CD2 4.04Å; V342-I364 HydrophobicContact CB-CG1 4.37Å; V342-I364 HydrophobicContact CG2-CB 3.8Å; V342-I364 HydrophobicContact CG2-CG1 3.76Å; V342-I364 HydrophobicContact CG2-CG2 4Å |
| 343 | F | 89.8 | Confident | 92.7 | Very high | 24 Ų | 24 | 58 Ų | 58 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.9 | -74.3 | -54.1 | 0 | 0 | 0 | 112.9 | F239 V242 I256 E257 T339 E340 F345 I346 E347 | F239-F343 AromaticContact CD1-CE1 3.91Å; F239-F343 HydrophobicContact CD1-CE1 3.91Å; F239-F343 AromaticContact CD1-CZ 3.99Å; F239-F343 HydrophobicContact CD1-CZ 3.99Å; F239-F343 AromaticContact CE1-CE1 3.91Å; F239-F343 HydrophobicContact CE1-CE1 3.91Å; F239-F343 AromaticContact CE1-CZ 3.58Å; F239-F343 HydrophobicContact CE1-CZ 3.58Å; V242-F343 HydrophobicContact CG1-CD1 4.36Å; V242-F343 HydrophobicContact CG2-CD1 3.65Å; V242-F343 HydrophobicContact CG2-CE1 4.1Å; V242-F343 HydrophobicContact CG2-CG 4.47Å; I256-F343 HydrophobicContact CB-CZ 4.04Å; I256-F343 HydrophobicContact CD1-CE1 4.17Å; I256-F343 HydrophobicContact CD1-CZ 4.45Å; I256-F343 HydrophobicContact CG2-CD2 4.46Å; I256-F343 HydrophobicContact CG2-CE1 4.45Å; I256-F343 HydrophobicContact CG2-CE2 3.93Å; I256-F343 HydrophobicContact CG2-CZ 3.88Å; E257-F343 WeakPolarHBondContact OE2-CE2 3.43Å; T339-F343 HydrophobicContact CG2-CD2 3.93Å; T339-F343 HydrophobicContact CG2-CE2 3.59Å; T339-F343 VanDerWaalsContact O-CD2 3.26Å; T339-F343 WeakPolarHBondContact O-CD2 3.46Å; T339-F343 PolarHBondContact O-N 3.22Å; E340-F343 PolarHBondContact O-N 3.36Å; F343-F345 VanDerWaalsContact C-N 3.3Å; F343-F345 PolarHBondContact O-N 3.48Å; F343-I346 HydrophobicContact CD1-CD1 4.12Å; F343-I346 WeakPolarHBondContact O-CB 3.45Å; F343-I346 PolarHBondContact O-N 3.03Å; F343-I346 VanDerWaalsContact O-N 3.12Å; F343-E347 PolarHBondContact O-N 2.92Å |
| 344 | Q | 91 | Very high | 92.4 | Very high | 96 Ų | 96 | 65 Ų | 65 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.9 | -44.6 | 174.1 | -175.8 | -179.7 | 3 | 0 | 0 | 110.9 | E340 I346 E347 E348 | E340-Q344 WeakPolarHBondContact O-CB 3.42Å; E340-Q344 PolarHBondContact O-N 3.02Å; Q344-I346 VanDerWaalsContact C-N 3.3Å; Q344-I346 PolarHBondContact O-N 3.1Å; Q344-E347 PolarHBondContact O-N 3.28Å; Q344-E348 HydrophobicContact CG-CG 4.33Å; Q344-E348 WeakPolarHBondContact CG-OE1 3.44Å; Q344-E348 PolarHBondContact NE2-OE1 3.5Å; Q344-E348 WeakPolarHBondContact O-CB 3.3Å; Q344-E348 WeakPolarHBondContact O-CG 3.35Å; Q344-E348 PolarHBondContact O-N 3.34Å |
| 345 | F | 93.4 | Very high | 92.1 | Very high | 21 Ų | 21 | 66.2 Ų | 66.2 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 176.7 | -174.5 | -93.1 | 0 | 0 | 0 | 112.4 | M311 I313 R341 V342 F343 N349 L353 A360 A363 I364 | M311-F345 HydrophobicContact SD-CE1 4.39Å; I313-F345 HydrophobicContact CD1-CE2 3.69Å; I313-F345 HydrophobicContact CD1-CZ 3.81Å; R341-F345 WeakPolarHBondContact O-CB 3.33Å; R341-F345 PolarHBondContact O-N 3.17Å; V342-F345 PolarHBondContact O-N 3.43Å; F343-F345 VanDerWaalsContact C-N 3.3Å; F343-F345 PolarHBondContact O-N 3.48Å; F345-N349 HydrophobicContact CE1-CB 4.24Å; F345-N349 HydrophobicContact CE2-CB 4.45Å; F345-N349 HydrophobicContact CZ-CB 4.15Å; F345-N349 WeakPolarHBondContact O-CB 2.95Å; F345-N349 PolarHBondContact O-N 2.91Å; F345-N349 PolarHBondContact O-ND2 3.34Å; F345-L353 HydrophobicContact CD1-CD2 4.26Å; F345-L353 HydrophobicContact CE1-CD2 3.85Å; F345-A360 HydrophobicContact CD1-CB 4.1Å; F345-A363 HydrophobicContact CD1-CB 3.84Å; F345-A363 HydrophobicContact CD2-CB 4.16Å; F345-A363 HydrophobicContact CE1-CB 3.41Å; F345-A363 VanDerWaalsContact CE1-CB 3.41Å; F345-A363 HydrophobicContact CE2-CB 3.77Å; F345-A363 HydrophobicContact CG-CB 4.19Å; F345-A363 HydrophobicContact CZ-CB 3.38Å; F345-I364 HydrophobicContact CB-CD1 3.95Å; F345-I364 HydrophobicContact CB-CG1 4.19Å; F345-I364 HydrophobicContact CD2-CD1 4.39Å; F345-I364 HydrophobicContact CG-CD1 4.36Å |
| 346 | I | 89.6 | Confident | 91.8 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 177.3 | -65.7 | 160.7 | 0 | 0 | 0 | 111.4 | V242 Y253 I256 V342 F343 Q344 P350 L353 A360 | V242-I346 HydrophobicContact CG1-CB 4.27Å; V242-I346 HydrophobicContact CG1-CD1 4.45Å; V242-I346 HydrophobicContact CG1-CG2 3.44Å; V242-I346 VanDerWaalsContact CG1-CG2 3.44Å; Y253-I346 HydrophobicContact CD1-CD1 3.98Å; Y253-I346 HydrophobicContact CE1-CD1 3.75Å; I256-I346 HydrophobicContact CD1-CD1 3.95Å; V342-I346 HydrophobicContact CG1-CD1 4.09Å; V342-I346 VanDerWaalsContact O-CG1 3.32Å; V342-I346 WeakPolarHBondContact O-CG1 3.18Å; V342-I346 PolarHBondContact O-N 3.2Å; F343-I346 HydrophobicContact CD1-CD1 4.12Å; F343-I346 WeakPolarHBondContact O-CB 3.45Å; F343-I346 PolarHBondContact O-N 3.03Å; F343-I346 VanDerWaalsContact O-N 3.12Å; Q344-I346 VanDerWaalsContact C-N 3.3Å; Q344-I346 PolarHBondContact O-N 3.1Å; I346-P350 WeakPolarHBondContact O-CD 3.3Å; I346-L353 HydrophobicContact CB-CD1 4.02Å; I346-L353 HydrophobicContact CG1-CD1 3.78Å; I346-L353 HydrophobicContact CG2-CD1 3.74Å; I346-A360 HydrophobicContact CD1-CB 3.79Å; I346-A360 HydrophobicContact CG1-CB 3.39Å |
| 347 | E | 86.6 | Confident | 91.5 | Very high | 111 Ų | 111 | 59.5 Ų | 59.5 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 179.5 | -173.8 | 173.4 | -172.2 | 0 | 0 | 111.7 | F343 Q344 P350 | F343-E347 PolarHBondContact O-N 2.92Å; Q344-E347 PolarHBondContact O-N 3.28Å; E347-P350 WeakPolarHBondContact O-CD 3.47Å |
| 348 | E | 91.3 | Very high | 91.4 | Very high | 120 Ų | 120 | 56.5 Ų | 56.5 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -80.5 | -20.6 | -177.6 | -70.1 | 177.9 | 179 | 0 | 0 | 114.2 | Q344 | Q344-E348 HydrophobicContact CG-CG 4.33Å; Q344-E348 WeakPolarHBondContact CG-OE1 3.44Å; Q344-E348 PolarHBondContact NE2-OE1 3.5Å; Q344-E348 WeakPolarHBondContact O-CB 3.3Å; Q344-E348 WeakPolarHBondContact O-CG 3.35Å; Q344-E348 PolarHBondContact O-N 3.34Å |
| 349 | N | 91.7 | Very high | 91.3 | Very high | 20 Ų | 20 | 56.5 Ų | 56.5 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | trans | -135.2 | 40.2 | -171.7 | -54.8 | -96.2 | 0 | 0 | 0 | 114.8 | F345 E351 K352 | F345-N349 HydrophobicContact CE1-CB 4.24Å; F345-N349 HydrophobicContact CE2-CB 4.45Å; F345-N349 HydrophobicContact CZ-CB 4.15Å; F345-N349 WeakPolarHBondContact O-CB 2.95Å; F345-N349 PolarHBondContact O-N 2.91Å; F345-N349 PolarHBondContact O-ND2 3.34Å; N349-E351 VanDerWaalsContact C-N 3.26Å; N349-E351 PolarHBondContact O-N 3.17Å; N349-K352 HydrophobicContact CB-CB 4.29Å; N349-K352 HydrophobicContact CB-CD 3.93Å; N349-K352 HydrophobicContact CB-CG 4.1Å; N349-K352 WeakPolarHBondContact O-CB 3.28Å; N349-K352 PolarHBondContact O-N 3.36Å; N349-K352 VanDerWaalsContact OD1-CE 3.29Å; N349-K352 WeakPolarHBondContact OD1-CE 3.3Å; N349-K352 PolarHBondContact OD1-NZ 3.22Å | ||
| 350 | P | 87.3 | Confident | 91.3 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 33% | 0.331 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -61 | -33.1 | -171 | 26.6 | -36.1 | 0 | 0 | 0 | 113.3 | V243 I346 E347 K352 L353 | V243-P350 HydrophobicContact CB-CB 4.36Å; V243-P350 HydrophobicContact CG2-CB 3.73Å; V243-P350 HydrophobicContact CG2-CG 4.27Å; I346-P350 WeakPolarHBondContact O-CD 3.3Å; E347-P350 WeakPolarHBondContact O-CD 3.47Å; P350-K352 PolarHBondContact O-N 3.16Å; P350-L353 PolarHBondContact O-N 3Å |
| 351 | E | 89.9 | Confident | 91.5 | Very high | 142 Ų | 142 | 49.8 Ų | 49.8 | 66% | 0.664 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -68.9 | -19.5 | 178.7 | 76.4 | -67.8 | 164.3 | 0 | 0 | 113.6 | N349 | N349-E351 VanDerWaalsContact C-N 3.26Å; N349-E351 PolarHBondContact O-N 3.17Å |
| 352 | K | 92.2 | Very high | 91.6 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 32% | 0.317 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -82.6 | -21.3 | 179 | -57.2 | -169.3 | -171.7 | 163 | 0 | 112.3 | R307 M311 N349 P350 R354 | R307-K352 PolarHBondContact NH2-O 2.89Å; M311-K352 HydrophobicContact CB-CD 4.46Å; M311-K352 HydrophobicContact CG-CB 4.13Å; M311-K352 WeakPolarHBondContact O-CD 3.21Å; N349-K352 HydrophobicContact CB-CB 4.29Å; N349-K352 HydrophobicContact CB-CD 3.93Å; N349-K352 HydrophobicContact CB-CG 4.1Å; N349-K352 WeakPolarHBondContact O-CB 3.28Å; N349-K352 PolarHBondContact O-N 3.36Å; N349-K352 VanDerWaalsContact OD1-CE 3.29Å; N349-K352 WeakPolarHBondContact OD1-CE 3.3Å; N349-K352 PolarHBondContact OD1-NZ 3.22Å; P350-K352 PolarHBondContact O-N 3.16Å; K352-R354 PolarHBondContact O-N 3.5Å |
| 353 | L | 89.9 | Confident | 91.7 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | trans | -84.4 | 95.9 | -169.8 | -57.5 | -178 | 0 | 0 | 0 | 112.4 | M311 F345 I346 P350 D359 A360 | M311-L353 HydrophobicContact SD-CD2 4.36Å; F345-L353 HydrophobicContact CD1-CD2 4.26Å; F345-L353 HydrophobicContact CE1-CD2 3.85Å; I346-L353 HydrophobicContact CB-CD1 4.02Å; I346-L353 HydrophobicContact CG1-CD1 3.78Å; I346-L353 HydrophobicContact CG2-CD1 3.74Å; P350-L353 PolarHBondContact O-N 3Å; L353-D359 HydrophobicContact CD2-CB 3.69Å; L353-A360 HydrophobicContact CD2-CB 4.24Å | ||
| 354 | R | 90.6 | Very high | 92.1 | Very high | 146 Ų | 146 | 45.9 Ų | 45.9 | 55% | 0.551 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -81.7 | -36.5 | 172.8 | -175 | -178.3 | 176 | -175.7 | -2.1 | 111.8 | R307 K352 D359 | R307-R354 VanDerWaalsContact CZ-CB 3.44Å; R307-R354 VanDerWaalsContact NH2-CB 3.27Å; K352-R354 PolarHBondContact O-N 3.5Å; R354-D359 PolarHBondContact N-OD2 3.21Å |
| 355 | F | 89 | Confident | 92.4 | Very high | 53 Ų | 53 | 41.3 Ų | 41.3 | 23% | 0.232 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -115.7 | 25.1 | -178.7 | -54.1 | -51.5 | 0 | 0 | 0 | 112.1 | H305 R307 D357 Q358 D359 | H305-F355 HydrophobicContact CB-CE2 3.98Å; H305-F355 AromaticContact CD2-CE2 3.35Å; H305-F355 WeakPolarHBondContact CD2-CE2 3.43Å; H305-F355 AromaticContact CD2-CZ 3.35Å; H305-F355 WeakPolarHBondContact CD2-CZ 3.47Å; H305-F355 AromaticContact CG-CE2 3.88Å; H305-F355 AromaticContact NE2-CZ 3.81Å; R307-F355 HydrophobicContact CG-CD2 3.84Å; R307-F355 HydrophobicContact CG-CE2 3.83Å; F355-D357 PolarHBondContact O-N 3.01Å; F355-Q358 HydrophobicContact CB-CB 4.25Å; F355-Q358 WeakPolarHBondContact O-CB 3.18Å; F355-Q358 PolarHBondContact O-N 3.02Å; F355-Q358 VanDerWaalsContact O-N 3.09Å; F355-D359 PolarHBondContact N-OD2 2.92Å |
| 356 | H | 88.8 | Confident | 92.5 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 25% | 0.245 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | 53.2 | -117.3 | 166.2 | -47.6 | -47.8 | 0 | 0 | 0 | 114 | I248 Y253 Q358 D359 A360 | I248-H356 WeakPolarHBondContact CD1-CE1 3.04Å; I248-H356 WeakPolarHBondContact CD1-ND1 3.37Å; I248-H356 VanDerWaalsContact CG1-CE1 3.45Å; I248-H356 WeakPolarHBondContact CG1-CE1 3.45Å; I248-H356 HydrophobicContact CG2-CB 4.17Å; Y253-H356 HydrophobicContact CE1-CB 4.41Å; H356-Q358 VanDerWaalsContact C-N 3.29Å; H356-Q358 PolarHBondContact O-N 2.86Å; H356-D359 PolarHBondContact O-N 3.28Å; H356-A360 PolarHBondContact O-N 3.33Å |
| 357 | D | 89.7 | Confident | 92.7 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55 | -42.7 | -179.9 | 60.9 | -72.2 | 0 | 0 | 0 | 111.8 | Y253 R255 I256 S323 F355 D359 A360 L361 | Y253-D357 HydrophobicContact CD1-CB 4.09Å; Y253-D357 HydrophobicContact CE1-CB 4.38Å; R255-D357 WeakPolarHBondContact CD-OD2 3.49Å; R255-D357 IonicContact CZ-OD2 2.94Å; R255-D357 IonicContact NE-OD2 2.81Å; R255-D357 PolarHBondContact NE-OD2 3.24Å; I256-D357 HydrophobicContact CD1-CB 4.04Å; I256-D357 HydrophobicContact CG1-CB 4.44Å; S323-D357 PolarHBondContact OG-OD2 3.1Å; F355-D357 PolarHBondContact O-N 3.01Å; D357-D359 VanDerWaalsContact C-N 3.32Å; D357-D359 PolarHBondContact O-N 2.84Å; D357-A360 PolarHBondContact O-N 2.8Å; D357-L361 VanDerWaalsContact O-CB 3.28Å; D357-L361 WeakPolarHBondContact O-CB 3.3Å; D357-L361 VanDerWaalsContact O-CG 3.26Å; D357-L361 WeakPolarHBondContact O-CG 3.45Å; D357-L361 PolarHBondContact O-N 2.84Å |
| 358 | Q | 94.4 | Very high | 93.1 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | -178.8 | -167.1 | 176.1 | -93.7 | 0 | 0 | 111.6 | D301 Y320 F321 N322 S323 F355 H356 N362 | D301-Q358 PolarHBondContact OD2-NE2 3.08Å; Y320-Q358 HydrophobicContact CE1-CG 3.89Å; Y320-Q358 WeakPolarHBondContact OH-CG 3.23Å; Y320-Q358 PolarHBondContact OH-NE2 3.08Å; F321-Q358 WeakPolarHBondContact O-CG 3.48Å; N322-Q358 VanDerWaalsContact CA-OE1 3.23Å; N322-Q358 PolarHBondContact ND2-OE1 3.44Å; S323-Q358 WeakPolarHBondContact OG-CB 3.44Å; F355-Q358 HydrophobicContact CB-CB 4.25Å; F355-Q358 WeakPolarHBondContact O-CB 3.18Å; F355-Q358 PolarHBondContact O-N 3.02Å; F355-Q358 VanDerWaalsContact O-N 3.09Å; H356-Q358 VanDerWaalsContact C-N 3.29Å; H356-Q358 PolarHBondContact O-N 2.86Å; Q358-N362 WeakPolarHBondContact O-CB 3.47Å; Q358-N362 PolarHBondContact O-N 3.27Å; Q358-N362 VanDerWaalsContact O-N 3.07Å; Q358-N362 PolarHBondContact O-ND2 3.36Å |
| 359 | D | 95 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 176.1 | -88.2 | -14.8 | 0 | 0 | 0 | 111.1 | R307 M311 Y320 L353 R354 F355 H356 D357 N362 A363 | R307-D359 WeakPolarHBondContact CB-OD1 2.97Å; R307-D359 WeakPolarHBondContact CG-OD1 3.21Å; R307-D359 IonicContact CZ-OD1 3.88Å; R307-D359 IonicContact CZ-OD2 3.36Å; R307-D359 IonicContact NE-OD1 3.05Å; R307-D359 PolarHBondContact NE-OD1 2.98Å; R307-D359 IonicContact NE-OD2 3.21Å; R307-D359 PolarHBondContact NE-OD2 3.27Å; R307-D359 IonicContact NH2-OD1 3.77Å; R307-D359 IonicContact NH2-OD2 2.68Å; R307-D359 PolarHBondContact NH2-OD2 3.2Å; M311-D359 HydrophobicContact CE-CB 4.17Å; M311-D359 WeakPolarHBondContact CE-O 3.32Å; M311-D359 HydrophobicContact SD-CB 3.62Å; Y320-D359 WeakPolarHBondContact CE2-OD1 3.45Å; Y320-D359 PolarHBondContact OH-N 3.27Å; Y320-D359 PolarHBondContact OH-OD1 3.03Å; L353-D359 HydrophobicContact CD2-CB 3.69Å; R354-D359 PolarHBondContact N-OD2 3.21Å; F355-D359 PolarHBondContact N-OD2 2.92Å; H356-D359 PolarHBondContact O-N 3.28Å; D357-D359 VanDerWaalsContact C-N 3.32Å; D357-D359 PolarHBondContact O-N 2.84Å; D359-N362 PolarHBondContact O-N 2.75Å; D359-A363 WeakPolarHBondContact O-CB 3.47Å; D359-A363 PolarHBondContact O-N 3.01Å |
| 360 | A | 94.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.8 | -43.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V342 F345 I346 L353 H356 D357 A363 I364 | V342-A360 HydrophobicContact CG1-CB 3.74Å; F345-A360 HydrophobicContact CD1-CB 4.1Å; I346-A360 HydrophobicContact CD1-CB 3.79Å; I346-A360 HydrophobicContact CG1-CB 3.39Å; L353-A360 HydrophobicContact CD2-CB 4.24Å; H356-A360 PolarHBondContact O-N 3.33Å; D357-A360 PolarHBondContact O-N 2.8Å; A360-A363 PolarHBondContact O-N 3.32Å; A360-I364 PolarHBondContact O-N 3.28Å; A360-I364 VanDerWaalsContact O-N 3.08Å |
| 361 | L | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.3 | -49.5 | 174.3 | -76.5 | 168.8 | 0 | 0 | 0 | 111.1 | R255 I256 F321 M326 W333 V342 D357 A363 I364 L365 | R255-L361 HydrophobicContact CG-CD1 4.28Å; I256-L361 HydrophobicContact CG1-CD1 4.4Å; I256-L361 HydrophobicContact CG1-CD2 4.24Å; I256-L361 HydrophobicContact CG1-CG 4.25Å; F321-L361 HydrophobicContact CE2-CB 4.37Å; F321-L361 HydrophobicContact CZ-CB 3.93Å; M326-L361 HydrophobicContact CE-CD1 4.31Å; M326-L361 HydrophobicContact SD-CD1 4.21Å; W333-L361 HydrophobicContact CH2-CD2 3.53Å; W333-L361 HydrophobicContact CZ2-CD2 4.1Å; V342-L361 HydrophobicContact CG1-CD2 4.37Å; V342-L361 HydrophobicContact CG1-CG 4.48Å; V342-L361 HydrophobicContact CG2-CD2 4.04Å; D357-L361 VanDerWaalsContact O-CB 3.28Å; D357-L361 WeakPolarHBondContact O-CB 3.3Å; D357-L361 VanDerWaalsContact O-CG 3.26Å; D357-L361 WeakPolarHBondContact O-CG 3.45Å; D357-L361 PolarHBondContact O-N 2.84Å; L361-A363 VanDerWaalsContact C-N 3.32Å; L361-A363 PolarHBondContact O-N 3.48Å; L361-I364 PolarHBondContact O-N 3.2Å; L361-L365 HydrophobicContact CD2-CD1 4.23Å; L361-L365 VanDerWaalsContact O-CB 3.24Å; L361-L365 WeakPolarHBondContact O-CB 3.32Å; L361-L365 WeakPolarHBondContact O-CG 3.34Å; L361-L365 PolarHBondContact O-N 3Å |
| 362 | N | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.7 | -33.8 | 177.6 | -85.2 | -86.7 | 0 | 0 | 0 | 112.6 | L308 Y320 F321 Q358 D359 I364 H366 | L308-N362 HydrophobicContact CD2-CB 4.15Å; L308-N362 WeakPolarHBondContact CD2-O 3.37Å; Y320-N362 VanDerWaalsContact CA-OD1 3.25Å; Y320-N362 WeakPolarHBondContact CA-OD1 3Å; Y320-N362 HydrophobicContact CD2-CB 3.36Å; Y320-N362 HydrophobicContact CE2-CB 3.42Å; Y320-N362 VanDerWaalsContact CE2-CB 3.42Å; Y320-N362 HydrophobicContact CG-CB 4.26Å; F321-N362 WeakPolarHBondContact CD1-OD1 3.27Å; F321-N362 WeakPolarHBondContact CE1-OD1 3.3Å; F321-N362 PolarHBondContact N-OD1 3.07Å; F321-N362 PolarHBondContact O-ND2 3.25Å; Q358-N362 WeakPolarHBondContact O-CB 3.47Å; Q358-N362 PolarHBondContact O-N 3.27Å; Q358-N362 VanDerWaalsContact O-N 3.07Å; Q358-N362 PolarHBondContact O-ND2 3.36Å; D359-N362 PolarHBondContact O-N 2.75Å; N362-I364 VanDerWaalsContact C-N 3.31Å; N362-I364 PolarHBondContact O-N 3.22Å; N362-H366 WeakPolarHBondContact O-CB 3.47Å; N362-H366 PolarHBondContact O-N 2.72Å |
| 363 | A | 97.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.1 | -36.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M311 I313 F345 D359 A360 L361 H366 | M311-A363 HydrophobicContact CE-CB 4.18Å; I313-A363 HydrophobicContact CD1-CB 3.97Å; I313-A363 HydrophobicContact CG1-CB 4.05Å; F345-A363 HydrophobicContact CD1-CB 3.84Å; F345-A363 HydrophobicContact CD2-CB 4.16Å; F345-A363 HydrophobicContact CE1-CB 3.41Å; F345-A363 VanDerWaalsContact CE1-CB 3.41Å; F345-A363 HydrophobicContact CE2-CB 3.77Å; F345-A363 HydrophobicContact CG-CB 4.19Å; F345-A363 HydrophobicContact CZ-CB 3.38Å; D359-A363 WeakPolarHBondContact O-CB 3.47Å; D359-A363 PolarHBondContact O-N 3.01Å; A360-A363 PolarHBondContact O-N 3.32Å; L361-A363 VanDerWaalsContact C-N 3.32Å; L361-A363 PolarHBondContact O-N 3.48Å; A363-H366 PolarHBondContact O-CE1 3.1Å; A363-H366 PolarHBondContact O-ND1 3.41Å |
| 364 | I | 97.4 | Very high | 95 | Very high | 24 Ų | 24 | 29.9 Ų | 29.9 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -84.9 | -37 | 179.2 | -65.6 | -51.7 | 0 | 0 | 0 | 113.1 | V338 R341 V342 F345 A360 L361 N362 | V338-I364 HydrophobicContact CG1-CG2 4.45Å; R341-I364 HydrophobicContact CB-CD1 4.17Å; R341-I364 HydrophobicContact CB-CG1 4.32Å; R341-I364 HydrophobicContact CB-CG2 3.95Å; V342-I364 HydrophobicContact CB-CG1 4.37Å; V342-I364 HydrophobicContact CG2-CB 3.8Å; V342-I364 HydrophobicContact CG2-CG1 3.76Å; V342-I364 HydrophobicContact CG2-CG2 4Å; F345-I364 HydrophobicContact CB-CD1 3.95Å; F345-I364 HydrophobicContact CB-CG1 4.19Å; F345-I364 HydrophobicContact CD2-CD1 4.39Å; F345-I364 HydrophobicContact CG-CD1 4.36Å; A360-I364 PolarHBondContact O-N 3.28Å; A360-I364 VanDerWaalsContact O-N 3.08Å; L361-I364 PolarHBondContact O-N 3.2Å; N362-I364 VanDerWaalsContact C-N 3.31Å; N362-I364 PolarHBondContact O-N 3.22Å |
| 365 | L | 97.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -102.6 | 11 | -171.8 | -58.7 | 177.5 | 0 | 0 | 0 | 113.6 | I295 L296 F321 W333 V338 L361 D367 C368 | I295-L365 HydrophobicContact CB-CD2 4.2Å; I295-L365 HydrophobicContact CD1-CD2 3.49Å; I295-L365 VanDerWaalsContact CD1-CD2 3.49Å; I295-L365 HydrophobicContact CG1-CD2 4.43Å; I295-L365 HydrophobicContact CG2-CD1 4.4Å; I295-L365 HydrophobicContact CG2-CD2 3.91Å; L296-L365 HydrophobicContact CD2-CD1 3.48Å; L296-L365 VanDerWaalsContact CD2-CD1 3.48Å; F321-L365 HydrophobicContact CE1-CB 4.31Å; F321-L365 HydrophobicContact CZ-CD1 4.44Å; W333-L365 HydrophobicContact CH2-CD1 4.27Å; W333-L365 HydrophobicContact CZ3-CD1 3.92Å; V338-L365 HydrophobicContact CG1-CD1 4.11Å; V338-L365 HydrophobicContact CG1-CD2 3.77Å; V338-L365 HydrophobicContact CG1-CG 4.18Å; V338-L365 HydrophobicContact CG2-CD2 4Å; L361-L365 HydrophobicContact CD2-CD1 4.23Å; L361-L365 VanDerWaalsContact O-CB 3.24Å; L361-L365 WeakPolarHBondContact O-CB 3.32Å; L361-L365 WeakPolarHBondContact O-CG 3.34Å; L361-L365 PolarHBondContact O-N 3Å; L365-D367 PolarHBondContact O-N 3.19Å; L365-C368 PolarHBondContact O-N 2.81Å |
| 366 | H | 95.6 | Very high | 95.7 | Very high | 49 Ų | 49 | 25 Ų | 25 | 23% | 0.227 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 140.2 | 172 | 66.9 | -86.9 | 0 | 0 | 0 | 110.6 | L308 T315 N362 A363 C368 | L308-H366 HydrophobicContact CD1-CB 4.4Å; L308-H366 HydrophobicContact CD2-CB 4.24Å; T315-H366 HydrophobicContact CG2-CB 3.66Å; T315-H366 VanDerWaalsContact CG2-CD2 3.46Å; T315-H366 WeakPolarHBondContact CG2-CD2 3.17Å; N362-H366 WeakPolarHBondContact O-CB 3.47Å; N362-H366 PolarHBondContact O-N 2.72Å; A363-H366 PolarHBondContact O-CE1 3.1Å; A363-H366 PolarHBondContact O-ND1 3.41Å; H366-C368 PolarHBondContact O-N 2.83Å |
| 367 | D | 93.7 | Very high | 96.1 | Very high | 53 Ų | 53 | 22.4 Ų | 22.4 | 28% | 0.283 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 3.6 | -176.3 | -53.8 | -41.2 | 0 | 0 | 0 | 116.1 | K316 S317 L365 | K316-D367 PolarHBondContact N-OD2 3.05Å; S317-D367 VanDerWaalsContact CB-OD1 3.25Å; S317-D367 WeakPolarHBondContact CB-OD1 3.46Å; S317-D367 PolarHBondContact N-OD1 3.22Å; L365-D367 PolarHBondContact O-N 3.19Å |
| 368 | C | 94.6 | Very high | 96.4 | Very high | 54 Ų | 54 | 21.8 Ų | 21.8 | 37% | 0.365 | 11% | 0.113 | S | C | . | . | trans | -117.5 | 28.9 | -176.6 | -66.3 | 0 | 0 | 0 | 0 | 113.8 | I295 L365 H366 | I295-C368 HydrophobicContact CD1-CB 4.25Å; I295-C368 PolarHBondContact N-O 2.88Å; I295-C368 VanDerWaalsContact N-O 3.15Å; L365-C368 PolarHBondContact O-N 2.81Å; H366-C368 PolarHBondContact O-N 2.83Å | ||
| 369 | W | 97.3 | Very high | 96.5 | Very high | 15 Ų | 15 | 21 Ų | 21 | 6% | 0.057 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 149.5 | 178.5 | 64.2 | -77.3 | 0 | 0 | 0 | 113.5 | L296 A298 E300 R319 F321 P371 | L296-W369 HydrophobicContact CD1-CB 3.57Å; L296-W369 HydrophobicContact CD1-CG 4.42Å; L296-W369 HydrophobicContact CG-CB 4Å; L296-W369 CarbonylContact O-C 3.52Å; L296-W369 WeakPolarHBondContact O-CA 3.22Å; L296-W369 WeakPolarHBondContact O-CB 3.31Å; A298-W369 HydrophobicContact CB-CE3 4.18Å; A298-W369 HydrophobicContact CB-CZ3 4.44Å; A298-W369 VanDerWaalsContact O-CZ3 3.29Å; A298-W369 WeakPolarHBondContact O-CZ3 3.43Å; E300-W369 HydrophobicContact CB-CH2 4.2Å; R319-W369 HydrophobicContact CB-CH2 4.33Å; R319-W369 HydrophobicContact CB-CZ2 3.69Å; F321-W369 HydrophobicContact CB-CD2 4.25Å; F321-W369 HydrophobicContact CB-CE3 4.04Å; F321-W369 HydrophobicContact CB-CH2 3.76Å; F321-W369 HydrophobicContact CB-CZ2 3.95Å; F321-W369 HydrophobicContact CB-CZ3 3.79Å; F321-W369 AromaticContact CD1-CD1 3.97Å; F321-W369 AromaticContact CD1-CD2 3.85Å; F321-W369 HydrophobicContact CD1-CD2 3.85Å; F321-W369 AromaticContact CD1-CE2 3.82Å; F321-W369 HydrophobicContact CD1-CE3 4.39Å; F321-W369 AromaticContact CD1-CG 3.97Å; F321-W369 HydrophobicContact CD1-CG 3.97Å; F321-W369 HydrophobicContact CD1-CZ2 4.34Å; F321-W369 AromaticContact CD1-NE1 3.88Å; F321-W369 HydrophobicContact CE1-CG 4.4Å; F321-W369 HydrophobicContact CG-CD2 4.43Å; W369-P371 HydrophobicContact CE3-CB 4.3Å; W369-P371 HydrophobicContact CE3-CG 4.37Å; W369-P371 HydrophobicContact CH2-CB 4.16Å; W369-P371 HydrophobicContact CH2-CG 4.45Å; W369-P371 HydrophobicContact CZ3-CB 3.73Å; W369-P371 HydrophobicContact CZ3-CG 4.16Å |
| 370 | V | 97.2 | Very high | 96.5 | Very high | 29 Ų | 29 | 21.5 Ų | 21.5 | 18% | 0.176 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 124 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | H294 L296 A297 A298 L372 | H294-V370 HydrophobicContact CB-CG2 3.83Å; H294-V370 WeakPolarHBondContact ND1-CG2 3.19Å; L296-V370 PolarHBondContact O-N 3.48Å; A297-V370 CarbonylContact C-O 3.6Å; A297-V370 WeakPolarHBondContact CA-O 3.18Å; A297-V370 HydrophobicContact CB-CB 3.82Å; A297-V370 HydrophobicContact CB-CG1 4.37Å; A297-V370 WeakPolarHBondContact CB-O 3.43Å; A298-V370 PolarHBondContact N-O 2.8Å; V370-L372 PolarHBondContact O-N 2.78Å |
| 371 | P | 96.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 25.7 Ų | 25.7 | 35% | 0.351 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 123.2 | 177 | -9.5 | 26.5 | 0 | 0 | 0 | 112.6 | R319 W369 | R319-P371 VanDerWaalsContact CZ-CG 3.47Å; W369-P371 HydrophobicContact CE3-CB 4.3Å; W369-P371 HydrophobicContact CE3-CG 4.37Å; W369-P371 HydrophobicContact CH2-CB 4.16Å; W369-P371 HydrophobicContact CH2-CG 4.45Å; W369-P371 HydrophobicContact CZ3-CB 3.73Å; W369-P371 HydrophobicContact CZ3-CG 4.16Å |
| 372 | L | 97.5 | Very high | 96.3 | Very high | 15 Ų | 15 | 25.7 Ų | 25.7 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 154.7 | 176.5 | -61.2 | 172.9 | 0 | 0 | 0 | 111.6 | L286 T289 A297 A298 V299 L325 V370 | L286-L372 HydrophobicContact CD1-CD1 3.54Å; L286-L372 HydrophobicContact CD1-CD2 4.19Å; L286-L372 HydrophobicContact CD1-CG 4.48Å; T289-L372 HydrophobicContact CG2-CD2 3.79Å; A297-L372 HydrophobicContact CB-CD1 4Å; A297-L372 HydrophobicContact CB-CD2 3.77Å; A297-L372 HydrophobicContact CB-CG 3.8Å; A298-L372 WeakPolarHBondContact O-CB 3.18Å; A298-L372 PolarHBondContact O-N 3.35Å; V299-L372 HydrophobicContact CG2-CB 3.73Å; V299-L372 HydrophobicContact CG2-CD1 4.5Å; L325-L372 HydrophobicContact CD2-CD1 3.99Å; V370-L372 PolarHBondContact O-N 2.78Å |
| 373 | H | 96.4 | Very high | 96.1 | Very high | 42 Ų | 42 | 27.3 Ų | 27.3 | 19% | 0.194 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 140.9 | 171 | -170.8 | -90.9 | 0 | 0 | 0 | 110.7 | V299 R375 W376 E400 | V299-H373 WeakPolarHBondContact CG2-O 3.2Å; H373-R375 WeakPolarHBondContact ND1-CB 3.37Å; H373-R375 VanDerWaalsContact ND1-CG 3.32Å; H373-R375 WeakPolarHBondContact ND1-CG 3.37Å; H373-R375 PolarHBondContact ND1-N 3.2Å; H373-R375 VanDerWaalsContact ND1-N 3.15Å; H373-R375 PolarHBondContact O-N 2.9Å; H373-W376 PolarHBondContact O-N 3.44Å; H373-W376 VanDerWaalsContact O-N 3.1Å; H373-E400 IonicContact CE1-OE2 2.78Å; H373-E400 IonicContact NE2-OE2 2.85Å; H373-E400 PolarHBondContact NE2-OE2 3.25Å |
| 374 | S | 97.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.028 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -63.6 | -17 | -173.5 | 48.7 | 0 | 0 | 0 | 0 | 114.9 | W376 N377 A378 E397 T401 | S374-W376 PolarHBondContact O-N 3.05Å; S374-N377 CarbonylContact O-C 3.49Å; S374-N377 PolarHBondContact O-N 2.94Å; S374-N377 VanDerWaalsContact O-N 3.11Å; S374-N377 VanDerWaalsContact O-O 3.13Å; S374-A378 PolarHBondContact O-N 3.44Å; S374-E397 PolarHBondContact OG-O 3.31Å; S374-T401 PolarHBondContact OG-OG1 2.83Å |
| 375 | R | 96.2 | Very high | 95.6 | Very high | 62 Ų | 62 | 35.6 Ų | 35.6 | 23% | 0.234 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -61.3 | -28 | 174.3 | 78.4 | 175.9 | 27.6 | 129.5 | 3.9 | 113.7 | H373 N377 E400 T401 Q404 A406 I407 | H373-R375 WeakPolarHBondContact ND1-CB 3.37Å; H373-R375 VanDerWaalsContact ND1-CG 3.32Å; H373-R375 WeakPolarHBondContact ND1-CG 3.37Å; H373-R375 PolarHBondContact ND1-N 3.2Å; H373-R375 VanDerWaalsContact ND1-N 3.15Å; H373-R375 PolarHBondContact O-N 2.9Å; R375-N377 PolarHBondContact O-N 3.5Å; R375-E400 IonicContact NH2-OE2 3.15Å; R375-T401 PolarHBondContact N-OG1 3.17Å; R375-T401 VanDerWaalsContact N-OG1 3.12Å; R375-Q404 WeakPolarHBondContact CB-O 3.49Å; R375-Q404 PolarHBondContact NE-O 3.26Å; R375-Q404 VanDerWaalsContact NE-O 3.1Å; R375-A406 HydrophobicContact CB-CB 4.3Å; R375-A406 HydrophobicContact CG-CB 3.91Å; R375-A406 WeakPolarHBondContact O-CA 3.24Å; R375-A406 WeakPolarHBondContact O-CB 3.33Å; R375-A406 PolarHBondContact O-N 3.34Å; R375-I407 PolarHBondContact O-N 3.46Å |
| 376 | W | 97.9 | Very high | 95.3 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 13% | 0.129 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -75.3 | -9.6 | 178.1 | -66.7 | 120.9 | 0 | 0 | 0 | 113.3 | K285 L286 V299 L325 H373 S374 A406 I407 | K285-W376 HydrophobicContact CB-CH2 3.92Å; K285-W376 HydrophobicContact CB-CZ2 3.92Å; L286-W376 HydrophobicContact CB-CD2 3.85Å; L286-W376 HydrophobicContact CB-CE3 3.65Å; L286-W376 HydrophobicContact CB-CH2 3.83Å; L286-W376 HydrophobicContact CB-CZ2 4Å; L286-W376 HydrophobicContact CB-CZ3 3.65Å; L286-W376 HydrophobicContact CD1-CB 4.34Å; L286-W376 HydrophobicContact CD1-CD2 4.15Å; L286-W376 HydrophobicContact CD1-CG 4.06Å; L286-W376 HydrophobicContact CD2-CD2 4.34Å; L286-W376 HydrophobicContact CD2-CE3 3.95Å; L286-W376 HydrophobicContact CG-CD2 4.34Å; L286-W376 HydrophobicContact CG-CE3 4.26Å; V299-W376 HydrophobicContact CG2-CB 4.12Å; L325-W376 VanDerWaalsContact CD1-O 3.32Å; L325-W376 WeakPolarHBondContact CD1-O 3.22Å; H373-W376 PolarHBondContact O-N 3.44Å; H373-W376 VanDerWaalsContact O-N 3.1Å; S374-W376 PolarHBondContact O-N 3.05Å; W376-A406 HydrophobicContact CD2-CB 4.13Å; W376-A406 HydrophobicContact CE3-CB 3.54Å; W376-A406 HydrophobicContact CH2-CB 4.35Å; W376-A406 HydrophobicContact CZ3-CB 3.66Å; W376-I407 HydrophobicContact CE3-CD1 4.13Å; W376-I407 HydrophobicContact CE3-CG1 4.36Å; W376-I407 WeakPolarHBondContact O-CB 3.36Å |
| 377 | N | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -154 | 72.5 | 172.5 | -174.2 | -13.1 | 0 | 0 | 0 | 106.6 | V299 N322 L325 S374 R375 Q379 H409 | V299-N377 HydrophobicContact CB-CB 3.56Å; V299-N377 HydrophobicContact CG1-CB 3.96Å; V299-N377 HydrophobicContact CG2-CB 3.51Å; N322-N377 PolarHBondContact OD1-ND2 3.42Å; L325-N377 HydrophobicContact CB-CB 4.37Å; S374-N377 CarbonylContact O-C 3.49Å; S374-N377 PolarHBondContact O-N 2.94Å; S374-N377 VanDerWaalsContact O-N 3.11Å; S374-N377 VanDerWaalsContact O-O 3.13Å; R375-N377 PolarHBondContact O-N 3.5Å; N377-Q379 VanDerWaalsContact C-N 3.27Å; N377-Q379 WeakPolarHBondContact O-CG 3.39Å; N377-Q379 PolarHBondContact O-N 3.18Å; N377-Q379 WeakPolarHBondContact OD1-CG 3.49Å; N377-H409 WeakPolarHBondContact OD1-CB 3.33Å; N377-H409 PolarHBondContact OD1-ND1 3.38Å |
| 378 | A | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 84.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | S374 L383 T401 P405 I407 H409 | S374-A378 PolarHBondContact O-N 3.44Å; A378-L383 HydrophobicContact CB-CD1 4.32Å; A378-L383 HydrophobicContact CB-CD2 4.13Å; A378-L383 HydrophobicContact CB-CG 4.29Å; A378-L383 WeakPolarHBondContact O-CD1 3.31Å; A378-T401 HydrophobicContact CB-CG2 3.58Å; A378-P405 HydrophobicContact CB-CB 3.76Å; A378-I407 VanDerWaalsContact CB-O 3.3Å; A378-I407 WeakPolarHBondContact CB-O 3.4Å; A378-I407 PolarHBondContact N-O 3.44Å; A378-H409 PolarHBondContact O-N 3.21Å; A378-H409 VanDerWaalsContact O-N 3.11Å |
| 379 | Q | 96.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 152.8 | -176.6 | -66.2 | 164.7 | 51.1 | 0 | 0 | 111.7 | E300 A302 N377 Y381 I382 L383 T411 | E300-Q379 PolarHBondContact O-NE2 3.25Å; A302-Q379 HydrophobicContact CB-CB 4.29Å; N377-Q379 VanDerWaalsContact C-N 3.27Å; N377-Q379 WeakPolarHBondContact O-CG 3.39Å; N377-Q379 PolarHBondContact O-N 3.18Å; N377-Q379 WeakPolarHBondContact OD1-CG 3.49Å; Q379-Y381 VanDerWaalsContact C-N 3.25Å; Q379-Y381 PolarHBondContact O-N 2.91Å; Q379-Y381 VanDerWaalsContact O-N 3.15Å; Q379-I382 HydrophobicContact CB-CD1 4.38Å; Q379-I382 HydrophobicContact CB-CG1 4.45Å; Q379-I382 WeakPolarHBondContact O-CB 3.43Å; Q379-I382 PolarHBondContact O-N 2.8Å; Q379-L383 PolarHBondContact O-N 2.83Å; Q379-T411 HydrophobicContact CB-CG2 4.13Å; Q379-T411 HydrophobicContact CG-CG2 3.84Å |
| 380 | S | 93.7 | Very high | 94.9 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 8% | 0.077 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54.1 | -37.7 | -178.8 | -72.8 | 0 | 0 | 0 | 0 | 113.9 | I382 L383 K384 H409 T411 | S380-I382 VanDerWaalsContact C-N 3.3Å; S380-I382 PolarHBondContact O-N 3.16Å; S380-L383 PolarHBondContact O-N 2.75Å; S380-K384 VanDerWaalsContact O-CB 3.28Å; S380-K384 WeakPolarHBondContact O-CB 3.45Å; S380-K384 VanDerWaalsContact O-CG 3.29Å; S380-K384 WeakPolarHBondContact O-CG 3.47Å; S380-K384 PolarHBondContact O-N 3.42Å; S380-H409 PolarHBondContact N-O 3.08Å; S380-T411 WeakPolarHBondContact CB-OG1 3.33Å; S380-T411 PolarHBondContact N-OG1 3.12Å; S380-T411 PolarHBondContact OG-N 2.78Å; S380-T411 PolarHBondContact OG-O 3.47Å; S380-T411 VanDerWaalsContact OG-O 3.13Å |
| 381 | Y | 93.5 | Very high | 94.7 | Very high | 88 Ų | 88 | 48.3 Ų | 48.3 | 35% | 0.345 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.1 | -39.4 | 177.9 | -74.3 | -57.8 | 0 | 0 | 0 | 112.5 | Q379 R385 E386 | Q379-Y381 VanDerWaalsContact C-N 3.25Å; Q379-Y381 PolarHBondContact O-N 2.91Å; Q379-Y381 VanDerWaalsContact O-N 3.15Å; Y381-R385 PolarHBondContact O-N 2.94Å; Y381-E386 HydrophobicContact CD1-CB 3.91Å; Y381-E386 WeakPolarHBondContact CD1-OE2 3.37Å; Y381-E386 PolarHBondContact O-N 3.32Å |
| 382 | I | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.6 | -53.4 | 179 | -54.8 | 176.5 | 0 | 0 | 0 | 109.4 | A302 Q379 S380 K384 R385 Y398 T401 R402 | A302-I382 HydrophobicContact CB-CD1 4.02Å; A302-I382 HydrophobicContact CB-CG1 3.61Å; Q379-I382 HydrophobicContact CB-CD1 4.38Å; Q379-I382 HydrophobicContact CB-CG1 4.45Å; Q379-I382 WeakPolarHBondContact O-CB 3.43Å; Q379-I382 PolarHBondContact O-N 2.8Å; S380-I382 VanDerWaalsContact C-N 3.3Å; S380-I382 PolarHBondContact O-N 3.16Å; I382-K384 VanDerWaalsContact C-N 3.3Å; I382-K384 PolarHBondContact O-N 3.37Å; I382-R385 PolarHBondContact O-N 3.28Å; I382-R385 VanDerWaalsContact O-N 3.13Å; I382-Y398 HydrophobicContact CD1-CD1 3.88Å; I382-Y398 HydrophobicContact CD1-CE1 3.48Å; I382-Y398 VanDerWaalsContact CD1-CE1 3.48Å; I382-Y398 HydrophobicContact CD1-CE2 4.49Å; I382-Y398 HydrophobicContact CG1-CD1 4.13Å; I382-Y398 HydrophobicContact CG1-CD2 4.23Å; I382-Y398 HydrophobicContact CG1-CE1 3.87Å; I382-Y398 HydrophobicContact CG1-CE2 3.97Å; I382-Y398 HydrophobicContact CG1-CG 4.3Å; I382-Y398 HydrophobicContact CG2-CD1 4.03Å; I382-Y398 HydrophobicContact CG2-CD2 4.27Å; I382-Y398 HydrophobicContact CG2-CG 3.82Å; I382-T401 HydrophobicContact CG2-CG2 3.91Å; I382-R402 HydrophobicContact CG2-CG 4.39Å; I382-R402 WeakPolarHBondContact O-CD 3.22Å |
| 383 | L | 92.7 | Very high | 94.3 | Very high | 34 Ų | 34 | 60 Ų | 60 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -33.8 | -175.4 | -65.3 | -179.3 | 0 | 0 | 0 | 112.8 | A378 Q379 S380 I408 T425 | A378-L383 HydrophobicContact CB-CD1 4.32Å; A378-L383 HydrophobicContact CB-CD2 4.13Å; A378-L383 HydrophobicContact CB-CG 4.29Å; A378-L383 WeakPolarHBondContact O-CD1 3.31Å; Q379-L383 PolarHBondContact O-N 2.83Å; S380-L383 PolarHBondContact O-N 2.75Å; L383-I408 HydrophobicContact CD1-CD1 4.39Å; L383-I408 HydrophobicContact CD1-CG1 4.26Å; L383-I408 HydrophobicContact CD1-CG2 3.88Å; L383-T425 HydrophobicContact CB-CG2 4.07Å |
| 384 | K | 91.1 | Very high | 94.2 | Very high | 57 Ų | 57 | 58.2 Ų | 58.2 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.9 | 179.1 | -65.6 | 177.2 | -172.1 | 168.9 | 0 | 114.2 | S380 I382 E386 T425 | S380-K384 VanDerWaalsContact O-CB 3.28Å; S380-K384 WeakPolarHBondContact O-CB 3.45Å; S380-K384 VanDerWaalsContact O-CG 3.29Å; S380-K384 WeakPolarHBondContact O-CG 3.47Å; S380-K384 PolarHBondContact O-N 3.42Å; I382-K384 VanDerWaalsContact C-N 3.3Å; I382-K384 PolarHBondContact O-N 3.37Å; K384-E386 HydrophobicContact CB-CG 3.73Å; K384-E386 WeakPolarHBondContact CD-OE1 3.12Å; K384-E386 PolarHBondContact O-N 2.88Å; K384-T425 WeakPolarHBondContact CE-OG1 3.47Å; K384-T425 HydrophobicContact CG-CG2 4.39Å; K384-T425 WeakPolarHBondContact CG-OG1 3.35Å |
| 385 | R | 92.9 | Very high | 94.1 | Very high | 145 Ų | 145 | 60.3 Ų | 60.3 | 55% | 0.547 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 35.7 | -173.1 | -50.2 | -171.3 | 171.5 | -102.7 | -1.4 | 112.5 | Y381 I382 I387 E399 R402 | Y381-R385 PolarHBondContact O-N 2.94Å; I382-R385 PolarHBondContact O-N 3.28Å; I382-R385 VanDerWaalsContact O-N 3.13Å; R385-I387 VanDerWaalsContact C-N 3.34Å; R385-E399 IonicContact CZ-OE1 3.59Å; R385-E399 IonicContact CZ-OE2 3.82Å; R385-E399 IonicContact NH1-OE1 3.2Å; R385-E399 IonicContact NH1-OE2 2.66Å; R385-E399 PolarHBondContact NH1-OE2 2.66Å; R385-E399 IonicContact NH2-OE1 3.53Å; R385-E399 PolarHBondContact NH2-OE1 2.68Å; R385-E399 IonicContact NH2-OE2 3.06Å; R385-E399 PolarHBondContact NH2-OE2 3.47Å; R385-E399 VanDerWaalsContact NH2-OE2 3.12Å; R385-R402 VanDerWaalsContact CZ-NE 3.34Å; R385-R402 VanDerWaalsContact NH1-CZ 3.3Å |
| 386 | E | 91.7 | Very high | 94 | Very high | 116 Ų | 116 | 62 Ų | 62 | 54% | 0.542 | 29% | 0.289 | S | S | . | . | trans | -84.1 | -12.5 | -177.9 | -77.5 | 175.3 | -178.3 | 0 | 0 | 112.8 | Y381 K384 | Y381-E386 HydrophobicContact CD1-CB 3.91Å; Y381-E386 WeakPolarHBondContact CD1-OE2 3.37Å; Y381-E386 PolarHBondContact O-N 3.32Å; K384-E386 HydrophobicContact CB-CG 3.73Å; K384-E386 WeakPolarHBondContact CD-OE1 3.12Å; K384-E386 PolarHBondContact O-N 2.88Å | ||
| 387 | I | 91.9 | Very high | 93.8 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | trans | -138.5 | 151.3 | 179.4 | -163.8 | 131 | 0 | 0 | 0 | 110.1 | A302 F304 R385 Y398 | A302-I387 HydrophobicContact CB-CG2 4.47Å; A302-I387 VanDerWaalsContact O-CD1 3.26Å; A302-I387 WeakPolarHBondContact O-CD1 3.27Å; A302-I387 WeakPolarHBondContact O-CG2 3.27Å; F304-I387 HydrophobicContact CD2-CD1 4.07Å; F304-I387 HydrophobicContact CD2-CG1 4.16Å; R385-I387 VanDerWaalsContact C-N 3.34Å; I387-Y398 HydrophobicContact CG2-CE2 4.14Å | ||
| 388 | V | 93 | Very high | 93.7 | Very high | 109 Ų | 109 | 62.8 Ų | 62.8 | 66% | 0.661 | 29% | 0.294 | S | S | * | . | trans | -107.1 | 132.9 | 169.3 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | E395 | V388-E395 WeakPolarHBondContact CA-OE2 3.28Š| ||
| 389 | N | 95.1 | Very high | 93.5 | Very high | 9 Ų | 9 | 65.7 Ų | 65.7 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | trans | -64.9 | 131.5 | 176.4 | -160.6 | -55.4 | 0 | 0 | 0 | 109.5 | R391 G394 E395 Y398 | N389-R391 PolarHBondContact O-N 3.22Å; N389-R391 VanDerWaalsContact O-N 3.14Å; N389-R391 PolarHBondContact OD1-N 2.83Å; N389-R391 PolarHBondContact OD1-O 3.02Å; N389-G394 VanDerWaalsContact CB-C 3.45Å; N389-G394 VanDerWaalsContact ND2-CA 3.29Å; N389-G394 WeakPolarHBondContact ND2-CA 3.48Å; N389-G394 PolarHBondContact ND2-O 2.77Å; N389-G394 VanDerWaalsContact ND2-O 3.08Å; N389-E395 HydrophobicContact CB-CB 4.05Å; N389-E395 PolarHBondContact N-OE2 2.88Å; N389-Y398 HydrophobicContact CB-CD2 3.94Å; N389-Y398 HydrophobicContact CB-CE2 3.85Å; N389-Y398 WeakPolarHBondContact ND2-CE1 3.1Å | ||
| 390 | P | 92.7 | Very high | 93.1 | Very high | 98 Ų | 98 | 69.8 Ų | 69.8 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -65.1 | -16.5 | 178.5 | 26.1 | -35.3 | 0 | 0 | 0 | 113.3 | F304 | F304-P390 HydrophobicContact CD1-CG 3.8Å; F304-P390 HydrophobicContact CE1-CG 3.8Å; F304-P390 HydrophobicContact CG-CG 4.19Å; F304-P390 HydrophobicContact CZ-CG 4.19Å |
| 391 | R | 92.6 | Very high | 93 | Very high | 93 Ų | 93 | 69.3 Ų | 69.3 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -107.4 | 132.2 | 176.3 | -64.3 | 165 | -63.4 | -175.6 | 0.5 | 109.6 | E300 N389 K393 G394 E395 | E300-R391 IonicContact OE1-CZ 3.8Å; E300-R391 IonicContact OE1-NH1 3.86Å; E300-R391 IonicContact OE1-NH2 3.31Å; E300-R391 PolarHBondContact OE1-NH2 3.19Å; E300-R391 IonicContact OE2-CZ 3.28Å; E300-R391 VanDerWaalsContact OE2-CZ 3.28Å; E300-R391 IonicContact OE2-NH1 3.1Å; E300-R391 PolarHBondContact OE2-NH1 2.73Å; E300-R391 VanDerWaalsContact OE2-NH1 3.1Å; E300-R391 IonicContact OE2-NH2 2.64Å; E300-R391 PolarHBondContact OE2-NH2 2.56Å; N389-R391 PolarHBondContact O-N 3.22Å; N389-R391 VanDerWaalsContact O-N 3.14Å; N389-R391 PolarHBondContact OD1-N 2.83Å; N389-R391 PolarHBondContact OD1-O 3.02Å; R391-K393 PolarHBondContact O-N 2.67Å; R391-G394 WeakPolarHBondContact O-CA 3.41Å; R391-G394 PolarHBondContact O-N 3.41Å; R391-E395 PolarHBondContact O-N 3.1Å; R391-E395 VanDerWaalsContact O-N 3.07Å |
| 392 | K | 92.8 | Very high | 92.8 | Very high | 169 Ų | 169 | 67 Ų | 67 | 74% | 0.735 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -51.7 | -51.8 | 179.2 | -171.9 | -174.9 | 174.2 | -167.8 | 0 | 112.8 | G394 E395 E396 | K392-G394 PolarHBondContact O-N 2.78Å; K392-E395 WeakPolarHBondContact O-CB 3.5Å; K392-E395 PolarHBondContact O-N 3.04Å; K392-E396 WeakPolarHBondContact CE-OE1 3.38Å; K392-E396 PolarHBondContact O-N 3.34Å; K392-E396 VanDerWaalsContact O-N 3.16Å |
| 393 | K | 92.4 | Very high | 92.4 | Very high | 147 Ų | 147 | 73.6 Ų | 73.6 | 64% | 0.639 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -57.7 | -36.9 | 176.4 | -176.1 | 175.4 | 177.7 | 177 | 0 | 112.6 | R391 E395 E396 E397 | R391-K393 PolarHBondContact O-N 2.67Å; K393-E395 VanDerWaalsContact C-N 3.31Å; K393-E395 PolarHBondContact O-N 3.31Å; K393-E396 WeakPolarHBondContact O-CB 3.49Å; K393-E396 PolarHBondContact O-N 2.9Å; K393-E397 WeakPolarHBondContact O-CG 3.43Å; K393-E397 PolarHBondContact O-N 3.26Å |
| 394 | G | 93.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 78.1 Ų | 78.1 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.7 | -24 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N389 R391 K392 Y398 | N389-G394 VanDerWaalsContact CB-C 3.45Å; N389-G394 VanDerWaalsContact ND2-CA 3.29Å; N389-G394 WeakPolarHBondContact ND2-CA 3.48Å; N389-G394 PolarHBondContact ND2-O 2.77Å; N389-G394 VanDerWaalsContact ND2-O 3.08Å; R391-G394 WeakPolarHBondContact O-CA 3.41Å; R391-G394 PolarHBondContact O-N 3.41Å; K392-G394 PolarHBondContact O-N 2.78Å; G394-Y398 VanDerWaalsContact O-CD1 3.23Å; G394-Y398 WeakPolarHBondContact O-CD1 3.11Å; G394-Y398 VanDerWaalsContact O-CG 3.3Å; G394-Y398 PolarHBondContact O-N 2.77Å; G394-Y398 VanDerWaalsContact O-N 3.09Å |
| 395 | E | 95 | Very high | 92.1 | Very high | 48 Ų | 48 | 76.5 Ų | 76.5 | 22% | 0.224 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -76.6 | -34.3 | 172.7 | -173.7 | 59.7 | -150.5 | 0 | 0 | 111 | V388 N389 R391 K392 K393 Y398 E399 R402 | V388-E395 WeakPolarHBondContact CA-OE2 3.28Å; N389-E395 HydrophobicContact CB-CB 4.05Å; N389-E395 PolarHBondContact N-OE2 2.88Å; R391-E395 PolarHBondContact O-N 3.1Å; R391-E395 VanDerWaalsContact O-N 3.07Å; K392-E395 WeakPolarHBondContact O-CB 3.5Å; K392-E395 PolarHBondContact O-N 3.04Å; K393-E395 VanDerWaalsContact C-N 3.31Å; K393-E395 PolarHBondContact O-N 3.31Å; E395-Y398 WeakPolarHBondContact O-CB 3.46Å; E395-Y398 PolarHBondContact O-N 3.39Å; E395-E399 PolarHBondContact O-N 3.18Å; E395-R402 IonicContact OE1-CZ 3.13Å; E395-R402 IonicContact OE1-NH1 3.97Å; E395-R402 IonicContact OE1-NH2 2.79Å; E395-R402 PolarHBondContact OE1-NH2 3.03Å |
| 396 | E | 94.2 | Very high | 92 | Very high | 97 Ų | 97 | 69.7 Ų | 69.7 | 45% | 0.453 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 170.2 | -66.3 | 161.1 | -173.5 | 0 | 0 | 110 | K392 K393 Y398 E399 E400 | K392-E396 WeakPolarHBondContact CE-OE1 3.38Å; K392-E396 PolarHBondContact O-N 3.34Å; K392-E396 VanDerWaalsContact O-N 3.16Å; K393-E396 WeakPolarHBondContact O-CB 3.49Å; K393-E396 PolarHBondContact O-N 2.9Å; E396-Y398 VanDerWaalsContact C-N 3.26Å; E396-Y398 PolarHBondContact O-N 3.37Å; E396-E399 PolarHBondContact O-N 3.48Å; E396-E400 PolarHBondContact O-N 2.68Å |
| 397 | E | 93.6 | Very high | 92.3 | Very high | 47 Ų | 47 | 64.2 Ų | 64.2 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -34.5 | 173.6 | -69.4 | 178.5 | -170.4 | 0 | 0 | 112.8 | S374 K393 T401 | S374-E397 PolarHBondContact OG-O 3.31Å; K393-E397 WeakPolarHBondContact O-CG 3.43Å; K393-E397 PolarHBondContact O-N 3.26Å; E397-T401 VanDerWaalsContact O-CB 3.28Å; E397-T401 WeakPolarHBondContact O-CB 3.41Å; E397-T401 PolarHBondContact O-N 3.43Å; E397-T401 PolarHBondContact O-OG1 3.03Å |
| 398 | Y | 95.9 | Very high | 92.4 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.1 | -36.7 | 175.4 | -78.9 | 9.6 | 0 | 0 | 0 | 112.3 | A302 F304 I382 I387 N389 G394 E395 E396 T401 R402 | A302-Y398 WeakPolarHBondContact CA-OH 3.45Å; A302-Y398 WeakPolarHBondContact CB-OH 3.48Å; F304-Y398 HydrophobicContact CE2-CE2 4.15Å; F304-Y398 VanDerWaalsContact CE2-OH 3.22Å; F304-Y398 WeakPolarHBondContact CE2-OH 3.4Å; F304-Y398 WeakPolarHBondContact CZ-OH 3.35Å; I382-Y398 HydrophobicContact CD1-CD1 3.88Å; I382-Y398 HydrophobicContact CD1-CE1 3.48Å; I382-Y398 VanDerWaalsContact CD1-CE1 3.48Å; I382-Y398 HydrophobicContact CD1-CE2 4.49Å; I382-Y398 HydrophobicContact CG1-CD1 4.13Å; I382-Y398 HydrophobicContact CG1-CD2 4.23Å; I382-Y398 HydrophobicContact CG1-CE1 3.87Å; I382-Y398 HydrophobicContact CG1-CE2 3.97Å; I382-Y398 HydrophobicContact CG1-CG 4.3Å; I382-Y398 HydrophobicContact CG2-CD1 4.03Å; I382-Y398 HydrophobicContact CG2-CD2 4.27Å; I382-Y398 HydrophobicContact CG2-CG 3.82Å; I387-Y398 HydrophobicContact CG2-CE2 4.14Å; N389-Y398 HydrophobicContact CB-CD2 3.94Å; N389-Y398 HydrophobicContact CB-CE2 3.85Å; N389-Y398 WeakPolarHBondContact ND2-CE1 3.1Å; G394-Y398 VanDerWaalsContact O-CD1 3.23Å; G394-Y398 WeakPolarHBondContact O-CD1 3.11Å; G394-Y398 VanDerWaalsContact O-CG 3.3Å; G394-Y398 PolarHBondContact O-N 2.77Å; G394-Y398 VanDerWaalsContact O-N 3.09Å; E395-Y398 WeakPolarHBondContact O-CB 3.46Å; E395-Y398 PolarHBondContact O-N 3.39Å; E396-Y398 VanDerWaalsContact C-N 3.26Å; E396-Y398 PolarHBondContact O-N 3.37Å; Y398-T401 PolarHBondContact O-N 3.09Å; Y398-R402 WeakPolarHBondContact O-CG 3.1Å; Y398-R402 PolarHBondContact O-N 2.91Å |
| 399 | E | 92.4 | Very high | 92.6 | Very high | 60 Ų | 60 | 57.5 Ų | 57.5 | 28% | 0.28 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 173.6 | -165.7 | 60.8 | -152.5 | 0 | 0 | 111.2 | R385 E395 E396 T401 R402 Q403 | R385-E399 IonicContact CZ-OE1 3.59Å; R385-E399 IonicContact CZ-OE2 3.82Å; R385-E399 IonicContact NH1-OE1 3.2Å; R385-E399 IonicContact NH1-OE2 2.66Å; R385-E399 PolarHBondContact NH1-OE2 2.66Å; R385-E399 IonicContact NH2-OE1 3.53Å; R385-E399 PolarHBondContact NH2-OE1 2.68Å; R385-E399 IonicContact NH2-OE2 3.06Å; R385-E399 PolarHBondContact NH2-OE2 3.47Å; R385-E399 VanDerWaalsContact NH2-OE2 3.12Å; E395-E399 PolarHBondContact O-N 3.18Å; E396-E399 PolarHBondContact O-N 3.48Å; E399-T401 VanDerWaalsContact C-N 3.26Å; E399-T401 PolarHBondContact O-N 3.45Å; E399-R402 WeakPolarHBondContact O-CB 3.41Å; E399-R402 PolarHBondContact O-N 3.01Å; E399-R402 VanDerWaalsContact O-N 3.11Å; E399-R402 IonicContact OE2-CZ 2.77Å; E399-R402 IonicContact OE2-NE 3.68Å; E399-R402 PolarHBondContact OE2-NE 3.48Å; E399-R402 IonicContact OE2-NH2 2.71Å; E399-R402 PolarHBondContact OE2-NH2 3.26Å; E399-Q403 WeakPolarHBondContact O-CG 3.36Å; E399-Q403 PolarHBondContact O-N 3.49Å; E399-Q403 VanDerWaalsContact O-N 3.08Å |
| 400 | E | 88.5 | Confident | 92.5 | Very high | 88 Ų | 88 | 57.3 Ų | 57.3 | 41% | 0.411 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.7 | -38.8 | 173.6 | -69.2 | -179.9 | -152.4 | 0 | 0 | 112.4 | H373 R375 E396 Q403 Q404 | H373-E400 IonicContact CE1-OE2 2.78Å; H373-E400 IonicContact NE2-OE2 2.85Å; H373-E400 PolarHBondContact NE2-OE2 3.25Å; R375-E400 IonicContact NH2-OE2 3.15Å; E396-E400 PolarHBondContact O-N 2.68Å; E400-Q403 PolarHBondContact O-N 2.74Å; E400-Q404 PolarHBondContact O-N 2.88Å |
| 401 | T | 91.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.5 | -35.1 | 176.9 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | S374 R375 A378 I382 E397 Y398 E399 Q403 P405 | S374-T401 PolarHBondContact OG-OG1 2.83Å; R375-T401 PolarHBondContact N-OG1 3.17Å; R375-T401 VanDerWaalsContact N-OG1 3.12Å; A378-T401 HydrophobicContact CB-CG2 3.58Å; I382-T401 HydrophobicContact CG2-CG2 3.91Å; E397-T401 VanDerWaalsContact O-CB 3.28Å; E397-T401 WeakPolarHBondContact O-CB 3.41Å; E397-T401 PolarHBondContact O-N 3.43Å; E397-T401 PolarHBondContact O-OG1 3.03Å; Y398-T401 PolarHBondContact O-N 3.09Å; E399-T401 VanDerWaalsContact C-N 3.26Å; E399-T401 PolarHBondContact O-N 3.45Å; T401-Q403 VanDerWaalsContact C-N 3.33Å; T401-P405 WeakPolarHBondContact O-CB 3.22Å; T401-P405 VanDerWaalsContact O-CD 3.32Å; T401-P405 WeakPolarHBondContact O-CD 3.43Å |
| 402 | R | 89.5 | Confident | 92.1 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 15% | 0.151 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69 | -33.8 | 175.3 | -75.2 | -176.6 | -77.2 | -119.3 | 4 | 111.9 | I382 R385 E395 Y398 E399 | I382-R402 HydrophobicContact CG2-CG 4.39Å; I382-R402 WeakPolarHBondContact O-CD 3.22Å; R385-R402 VanDerWaalsContact CZ-NE 3.34Å; R385-R402 VanDerWaalsContact NH1-CZ 3.3Å; E395-R402 IonicContact OE1-CZ 3.13Å; E395-R402 IonicContact OE1-NH1 3.97Å; E395-R402 IonicContact OE1-NH2 2.79Å; E395-R402 PolarHBondContact OE1-NH2 3.03Å; Y398-R402 WeakPolarHBondContact O-CG 3.1Å; Y398-R402 PolarHBondContact O-N 2.91Å; E399-R402 WeakPolarHBondContact O-CB 3.41Å; E399-R402 PolarHBondContact O-N 3.01Å; E399-R402 VanDerWaalsContact O-N 3.11Å; E399-R402 IonicContact OE2-CZ 2.77Å; E399-R402 IonicContact OE2-NE 3.68Å; E399-R402 PolarHBondContact OE2-NE 3.48Å; E399-R402 IonicContact OE2-NH2 2.71Å; E399-R402 PolarHBondContact OE2-NH2 3.26Å |
| 403 | Q | 87.1 | Confident | 91.7 | Very high | 138 Ų | 138 | 52.3 Ų | 52.3 | 65% | 0.645 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -79.2 | -42.5 | 178.6 | -66.6 | -177.5 | 4.2 | 0 | 0 | 112.3 | E399 E400 T401 | E399-Q403 WeakPolarHBondContact O-CG 3.36Å; E399-Q403 PolarHBondContact O-N 3.49Å; E399-Q403 VanDerWaalsContact O-N 3.08Å; E400-Q403 PolarHBondContact O-N 2.74Å; T401-Q403 VanDerWaalsContact C-N 3.33Å |
| 404 | Q | 86 | Confident | 91.3 | Very high | 129 Ų | 129 | 48.4 Ų | 48.4 | 60% | 0.603 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -138.5 | 74.8 | -174.4 | -65.1 | -179.2 | -1.2 | 0 | 0 | 111.2 | R375 E400 | R375-Q404 WeakPolarHBondContact CB-O 3.49Å; R375-Q404 PolarHBondContact NE-O 3.26Å; R375-Q404 VanDerWaalsContact NE-O 3.1Å; E400-Q404 PolarHBondContact O-N 2.88Å |
| 405 | P | 90.6 | Very high | 91 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 16% | 0.156 | 25% | 0.249 | C | C | . | . | trans | -71 | 132.8 | 171.7 | 28.5 | -31.4 | 0 | 0 | 0 | 110.5 | L280 A378 T401 I408 | L280-P405 HydrophobicContact CD1-CB 4.44Å; L280-P405 HydrophobicContact CD1-CG 3.92Å; A378-P405 HydrophobicContact CB-CB 3.76Å; T401-P405 WeakPolarHBondContact O-CB 3.22Å; T401-P405 VanDerWaalsContact O-CD 3.32Å; T401-P405 WeakPolarHBondContact O-CD 3.43Å; P405-I408 HydrophobicContact CB-CG1 3.99Å; P405-I408 HydrophobicContact CG-CD1 4.28Å; P405-I408 HydrophobicContact CG-CG1 4.23Å | ||
| 406 | A | 91.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -88.8 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L280 T281 R375 W376 | L280-A406 PolarHBondContact N-O 3.48Å; T281-A406 HydrophobicContact CG2-CB 4.37Å; T281-A406 PolarHBondContact N-O 3.45Å; T281-A406 VanDerWaalsContact OG1-CB 3.28Å; T281-A406 WeakPolarHBondContact OG1-CB 3.17Å; R375-A406 HydrophobicContact CB-CB 4.3Å; R375-A406 HydrophobicContact CG-CB 3.91Å; R375-A406 WeakPolarHBondContact O-CA 3.24Å; R375-A406 WeakPolarHBondContact O-CB 3.33Å; R375-A406 PolarHBondContact O-N 3.34Å; W376-A406 HydrophobicContact CD2-CB 4.13Å; W376-A406 HydrophobicContact CE3-CB 3.54Å; W376-A406 HydrophobicContact CH2-CB 4.35Å; W376-A406 HydrophobicContact CZ3-CB 3.66Å |
| 407 | I | 96.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 119.9 | 174.3 | -59.7 | 170.9 | 0 | 0 | 0 | 108.1 | M273 M277 I278 A279 I283 L286 L325 R375 W376 A378 | M273-I407 HydrophobicContact CE-CD1 4Å; M273-I407 HydrophobicContact CE-CG2 3.95Å; M277-I407 HydrophobicContact CB-CG2 4.06Å; M277-I407 HydrophobicContact CG-CG2 4.46Å; M277-I407 HydrophobicContact SD-CG2 4.24Å; I278-I407 CarbonylContact O-C 3.52Å; I278-I407 WeakPolarHBondContact O-CA 3.39Å; A279-I407 HydrophobicContact CB-CG1 4.25Å; I283-I407 HydrophobicContact CG2-CD1 3.96Å; I283-I407 HydrophobicContact CG2-CG1 4.3Å; L286-I407 HydrophobicContact CD2-CD1 3.83Å; L325-I407 HydrophobicContact CD1-CD1 3.52Å; L325-I407 HydrophobicContact CD1-CG2 4.46Å; R375-I407 PolarHBondContact O-N 3.46Å; W376-I407 HydrophobicContact CE3-CD1 4.13Å; W376-I407 HydrophobicContact CE3-CG1 4.36Å; W376-I407 WeakPolarHBondContact O-CB 3.36Å; A378-I407 VanDerWaalsContact CB-O 3.3Å; A378-I407 WeakPolarHBondContact CB-O 3.4Å; A378-I407 PolarHBondContact N-O 3.44Å |
| 408 | I | 95.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 128.6 | 173.8 | -65.3 | -175.7 | 0 | 0 | 0 | 108.8 | M277 I278 L280 L383 P405 F410 A426 L429 | M277-I408 CarbonylContact C-O 3.59Å; M277-I408 WeakPolarHBondContact CA-O 3.31Å; I278-I408 PolarHBondContact N-O 3.37Å; I278-I408 PolarHBondContact O-N 3.42Å; L280-I408 HydrophobicContact CD1-CD1 3.61Å; L280-I408 HydrophobicContact CD1-CG1 3.79Å; L383-I408 HydrophobicContact CD1-CD1 4.39Å; L383-I408 HydrophobicContact CD1-CG1 4.26Å; L383-I408 HydrophobicContact CD1-CG2 3.88Å; P405-I408 HydrophobicContact CB-CG1 3.99Å; P405-I408 HydrophobicContact CG-CD1 4.28Å; P405-I408 HydrophobicContact CG-CG1 4.23Å; I408-F410 HydrophobicContact CG2-CD1 4.43Å; I408-F410 HydrophobicContact CG2-CE1 4.08Å; I408-F410 HydrophobicContact CG2-CE2 4.29Å; I408-F410 HydrophobicContact CG2-CZ 3.99Å; I408-A426 HydrophobicContact CD1-CB 3.57Å; I408-A426 HydrophobicContact CG2-CB 4.06Å; I408-L429 HydrophobicContact CD1-CD1 3.69Å |
| 409 | H | 96.6 | Very high | 88.8 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 2% | 0.023 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 116.5 | 174.8 | -177.1 | -176.6 | 0 | 0 | 0 | 109.4 | D274 D276 M277 N322 N377 A378 S380 T411 | D274-H409 IonicContact OD2-CE1 3.38Å; D274-H409 IonicContact OD2-NE2 3.9Å; D276-H409 IonicContact OD1-CD2 3.32Å; D276-H409 PolarHBondContact OD1-CD2 2.95Å; D276-H409 IonicContact OD1-NE2 3.77Å; D276-H409 PolarHBondContact OD1-NE2 3.2Å; D276-H409 VanDerWaalsContact OD1-NE2 3.1Å; D276-H409 IonicContact OD2-CD2 2.69Å; D276-H409 IonicContact OD2-NE2 3.27Å; M277-H409 HydrophobicContact CE-CB 3.93Å; M277-H409 VanDerWaalsContact CE-CE1 3.44Å; M277-H409 WeakPolarHBondContact CE-CE1 3.25Å; M277-H409 WeakPolarHBondContact CE-ND1 3.32Å; M277-H409 HydrophobicContact CG-CB 4.17Å; N322-H409 PolarHBondContact OD1-CE1 3.05Å; N322-H409 PolarHBondContact OD1-ND1 3.15Å; N377-H409 WeakPolarHBondContact OD1-CB 3.33Å; N377-H409 PolarHBondContact OD1-ND1 3.38Å; A378-H409 PolarHBondContact O-N 3.21Å; A378-H409 VanDerWaalsContact O-N 3.11Å; S380-H409 PolarHBondContact N-O 3.08Å; H409-T411 HydrophobicContact CB-CG2 4.32Å; H409-T411 VanDerWaalsContact CE1-CG2 3.41Å; H409-T411 WeakPolarHBondContact CE1-CG2 3.49Å; H409-T411 VanDerWaalsContact ND1-CG2 3.33Å; H409-T411 WeakPolarHBondContact ND1-CG2 3.46Å; H409-T411 PolarHBondContact O-N 2.88Å |
| 410 | F | 93.6 | Very high | 88.3 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 2% | 0.022 | 32% | 0.317 | C | S | . | . | trans | -75.8 | 52.3 | -179.4 | -63.1 | -75.9 | 0 | 0 | 0 | 112.3 | D276 I278 I408 K415 P416 V424 T425 A426 | D276-F410 VanDerWaalsContact O-CD2 3.23Å; D276-F410 WeakPolarHBondContact O-CD2 3.31Å; D276-F410 PolarHBondContact O-N 3.4Å; I278-F410 HydrophobicContact CD1-CE2 3.56Å; I278-F410 HydrophobicContact CD1-CZ 3.8Å; I278-F410 HydrophobicContact CG1-CE2 3.89Å; I408-F410 HydrophobicContact CG2-CD1 4.43Å; I408-F410 HydrophobicContact CG2-CE1 4.08Å; I408-F410 HydrophobicContact CG2-CE2 4.29Å; I408-F410 HydrophobicContact CG2-CZ 3.99Å; F410-K415 HydrophobicContact CB-CD 4.26Å; F410-K415 WeakPolarHBondContact O-CD 3.15Å; F410-K415 PolarHBondContact O-NZ 2.98Å; F410-P416 HydrophobicContact CD1-CG 3.94Å; F410-P416 HydrophobicContact CD2-CG 3.89Å; F410-P416 HydrophobicContact CE1-CB 4.36Å; F410-P416 HydrophobicContact CE1-CG 3.86Å; F410-P416 HydrophobicContact CE2-CG 3.84Å; F410-P416 HydrophobicContact CG-CG 3.96Å; F410-P416 HydrophobicContact CZ-CG 3.83Å; F410-V424 HydrophobicContact CD1-CG1 4.47Å; F410-T425 WeakPolarHBondContact CE1-O 3.48Å; F410-A426 HydrophobicContact CE1-CB 3.88Å; F410-A426 HydrophobicContact CZ-CB 4.15Å | ||
| 411 | T | 90.9 | Very high | 87.6 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 13% | 0.129 | 32% | 0.32 | C | S | . | . | trans | -55.1 | 148.3 | -178.5 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | Q379 S380 H409 | Q379-T411 HydrophobicContact CB-CG2 4.13Å; Q379-T411 HydrophobicContact CG-CG2 3.84Å; S380-T411 WeakPolarHBondContact CB-OG1 3.33Å; S380-T411 PolarHBondContact N-OG1 3.12Å; S380-T411 PolarHBondContact OG-N 2.78Å; S380-T411 PolarHBondContact OG-O 3.47Å; S380-T411 VanDerWaalsContact OG-O 3.13Å; H409-T411 HydrophobicContact CB-CG2 4.32Å; H409-T411 VanDerWaalsContact CE1-CG2 3.41Å; H409-T411 WeakPolarHBondContact CE1-CG2 3.49Å; H409-T411 VanDerWaalsContact ND1-CG2 3.33Å; H409-T411 WeakPolarHBondContact ND1-CG2 3.46Å; H409-T411 PolarHBondContact O-N 2.88Å | ||
| 412 | G | 85.6 | Confident | 86.5 | Confident | 48 Ų | 48 | 76.1 Ų | 76.1 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 85 | -166 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K415 | G412-K415 WeakPolarHBondContact O-CE 3.44Å; G412-K415 PolarHBondContact O-NZ 3.49Å; G412-K415 VanDerWaalsContact O-NZ 3.09Å |
| 413 | H | 83.7 | Confident | 85.8 | Confident | 186 Ų | 186 | 82.1 Ų | 82.1 | 86% | 0.861 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -85.7 | -13.2 | -167.2 | -57 | -61.8 | 0 | 0 | 0 | 115 | ||
| 414 | I | 84.1 | Confident | 85.4 | Confident | 64 Ų | 64 | 76.6 Ų | 76.6 | 33% | 0.328 | 37% | 0.37 | S | S | . | . | trans | -95.7 | 105.6 | -176.9 | -61.3 | 169.8 | 0 | 0 | 0 | 108.2 | V424 | I414-V424 HydrophobicContact CG2-CB 4.42Å; I414-V424 HydrophobicContact CG2-CG1 4.02Å; I414-V424 HydrophobicContact CG2-CG2 3.72Å | ||
| 415 | K | 87.8 | Confident | 85.1 | Confident | 39 Ų | 39 | 73.1 Ų | 73.1 | 17% | 0.17 | 36% | 0.357 | C | S | . | . | trans | -110.2 | 144.7 | -178.6 | -54.4 | -60.3 | -168.9 | -178.5 | 0 | 111.8 | D276 F410 G412 W417 N418 | D276-K415 IonicContact OD2-NZ 3.73Å; D276-K415 PolarHBondContact OD2-NZ 2.82Å; F410-K415 HydrophobicContact CB-CD 4.26Å; F410-K415 WeakPolarHBondContact O-CD 3.15Å; F410-K415 PolarHBondContact O-NZ 2.98Å; G412-K415 WeakPolarHBondContact O-CE 3.44Å; G412-K415 PolarHBondContact O-NZ 3.49Å; G412-K415 VanDerWaalsContact O-NZ 3.09Å; K415-W417 VanDerWaalsContact C-N 3.34Å; K415-W417 HydrophobicContact CB-CD2 3.76Å; K415-W417 HydrophobicContact CB-CE3 4.16Å; K415-W417 HydrophobicContact CB-CG 4.4Å; K415-W417 HydrophobicContact CB-CH2 3.77Å; K415-W417 HydrophobicContact CB-CZ2 3.41Å; K415-W417 VanDerWaalsContact CB-CZ2 3.41Å; K415-W417 HydrophobicContact CB-CZ3 4.16Å; K415-W417 HydrophobicContact CD-CH2 3.66Å; K415-W417 HydrophobicContact CD-CZ2 3.63Å; K415-W417 HydrophobicContact CG-CH2 3.89Å; K415-W417 HydrophobicContact CG-CZ2 3.4Å; K415-W417 PolarHBondContact O-N 2.83Å; K415-N418 WeakPolarHBondContact O-CB 3.42Å; K415-N418 PolarHBondContact O-N 3.33Å | ||
| 416 | P | 86 | Confident | 84.6 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -24.3 | -175.1 | 28.6 | -36.5 | 0 | 0 | 0 | 114.5 | F410 N418 V424 Y430 | F410-P416 HydrophobicContact CD1-CG 3.94Å; F410-P416 HydrophobicContact CD2-CG 3.89Å; F410-P416 HydrophobicContact CE1-CB 4.36Å; F410-P416 HydrophobicContact CE1-CG 3.86Å; F410-P416 HydrophobicContact CE2-CG 3.84Å; F410-P416 HydrophobicContact CG-CG 3.96Å; F410-P416 HydrophobicContact CZ-CG 3.83Å; P416-N418 VanDerWaalsContact C-N 3.25Å; P416-N418 PolarHBondContact O-N 3.4Å; P416-V424 HydrophobicContact CB-CB 4.43Å; P416-V424 HydrophobicContact CB-CG1 4.24Å; P416-Y430 HydrophobicContact CB-CD1 3.94Å; P416-Y430 HydrophobicContact CB-CG 3.82Å; P416-Y430 HydrophobicContact CG-CD1 4.18Å; P416-Y430 HydrophobicContact CG-CD2 4.06Å; P416-Y430 HydrophobicContact CG-CG 3.67Å |
| 417 | W | 87.4 | Confident | 84.2 | Confident | 112 Ų | 112 | 73.5 Ų | 73.5 | 42% | 0.424 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -8.2 | 173.4 | 52.7 | 95.2 | 0 | 0 | 0 | 114 | D276 K415 K419 Y430 | D276-W417 HydrophobicContact CB-CH2 3.43Å; D276-W417 VanDerWaalsContact CB-CH2 3.43Å; D276-W417 HydrophobicContact CB-CZ2 4.33Å; D276-W417 HydrophobicContact CB-CZ3 4.21Å; K415-W417 VanDerWaalsContact C-N 3.34Å; K415-W417 HydrophobicContact CB-CD2 3.76Å; K415-W417 HydrophobicContact CB-CE3 4.16Å; K415-W417 HydrophobicContact CB-CG 4.4Å; K415-W417 HydrophobicContact CB-CH2 3.77Å; K415-W417 HydrophobicContact CB-CZ2 3.41Å; K415-W417 VanDerWaalsContact CB-CZ2 3.41Å; K415-W417 HydrophobicContact CB-CZ3 4.16Å; K415-W417 HydrophobicContact CD-CH2 3.66Å; K415-W417 HydrophobicContact CD-CZ2 3.63Å; K415-W417 HydrophobicContact CG-CH2 3.89Å; K415-W417 HydrophobicContact CG-CZ2 3.4Å; K415-W417 PolarHBondContact O-N 2.83Å; W417-K419 PolarHBondContact O-N 3.24Å; W417-Y430 HydrophobicContact CB-CE1 3.73Å; W417-Y430 HydrophobicContact CB-CE2 4.41Å; W417-Y430 WeakPolarHBondContact CB-OH 3.28Å; W417-Y430 HydrophobicContact CE3-CD2 4.13Å; W417-Y430 AromaticContact CE3-CE2 3.86Å; W417-Y430 HydrophobicContact CE3-CE2 3.86Å |
| 418 | N | 84.8 | Confident | 83.7 | Confident | 64 Ų | 64 | 82.3 Ų | 82.3 | 34% | 0.342 | 40% | 0.402 | S | S | . | . | trans | -75.3 | 101.2 | 176.4 | -170.5 | -28.4 | 0 | 0 | 0 | 110.2 | K415 P416 K420 K421 | K415-N418 WeakPolarHBondContact O-CB 3.42Å; K415-N418 PolarHBondContact O-N 3.33Å; P416-N418 VanDerWaalsContact C-N 3.25Å; P416-N418 PolarHBondContact O-N 3.4Å; N418-K420 PolarHBondContact O-N 3.42Å; N418-K420 WeakPolarHBondContact OD1-CB 3.32Å; N418-K420 PolarHBondContact OD1-N 2.87Å; N418-K421 HydrophobicContact CB-CB 4.42Å; N418-K421 HydrophobicContact CB-CG 4.23Å; N418-K421 PolarHBondContact O-N 2.83Å | ||
| 419 | K | 75.7 | Confident | 83.3 | Confident | 207 Ų | 207 | 84.4 Ų | 84.4 | 90% | 0.9 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -22.4 | -179.4 | -62 | -174.6 | -179.4 | -179.3 | 0 | 114.5 | W417 | W417-K419 PolarHBondContact O-N 3.24Š|
| 420 | K | 80.4 | Confident | 82.8 | Confident | 193 Ų | 193 | 87.5 Ų | 87.5 | 84% | 0.839 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -16.4 | 178.1 | -62.3 | -177.5 | 179.7 | 177.3 | 0 | 113.4 | N418 | N418-K420 PolarHBondContact O-N 3.42Å; N418-K420 WeakPolarHBondContact OD1-CB 3.32Å; N418-K420 PolarHBondContact OD1-N 2.87Å |
| 421 | K | 74.2 | Confident | 82.4 | Confident | 109 Ų | 109 | 91.3 Ų | 91.3 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | trans | -103.4 | 109.5 | -175.9 | -64.8 | -67.7 | -174.7 | 174.9 | 0 | 109.4 | N418 V424 | N418-K421 HydrophobicContact CB-CB 4.42Å; N418-K421 HydrophobicContact CB-CG 4.23Å; N418-K421 PolarHBondContact O-N 2.83Å; K421-V424 HydrophobicContact CB-CG2 3.99Å | ||
| 422 | K | 68.8 | Low | 82.2 | Confident | 190 Ų | 190 | 95.9 Ų | 95.9 | 83% | 0.826 | 46% | 0.463 | S | S | * | . | trans | -87.2 | 152.8 | 172.1 | -63.5 | -173.7 | 179.3 | -176.6 | 0 | 110 | V424 | K422-V424 PolarHBondContact O-N 2.91Š| ||
| 423 | N | 74.3 | Confident | 82.3 | Confident | 165 Ų | 165 | 97.4 Ų | 97.4 | 88% | 0.882 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 59 | 39.5 | 173.3 | -55.2 | -24.1 | 0 | 0 | 0 | 114.8 | T425 | N423-T425 PolarHBondContact O-N 3.14Š|
| 424 | V | 78.7 | Confident | 82.4 | Confident | 22 Ų | 22 | 89.6 Ų | 89.6 | 13% | 0.133 | 42% | 0.42 | C | S | . | . | trans | -62.6 | 129.9 | 168.9 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | F410 I414 P416 K421 K422 A426 G427 | F410-V424 HydrophobicContact CD1-CG1 4.47Å; I414-V424 HydrophobicContact CG2-CB 4.42Å; I414-V424 HydrophobicContact CG2-CG1 4.02Å; I414-V424 HydrophobicContact CG2-CG2 3.72Å; P416-V424 HydrophobicContact CB-CB 4.43Å; P416-V424 HydrophobicContact CB-CG1 4.24Å; K421-V424 HydrophobicContact CB-CG2 3.99Å; K422-V424 PolarHBondContact O-N 2.91Å; V424-A426 PolarHBondContact O-N 3.46Å; V424-G427 WeakPolarHBondContact O-CA 3.38Å; V424-G427 PolarHBondContact O-N 3.5Å | ||
| 425 | T | 80.7 | Confident | 82.5 | Confident | 56 Ų | 56 | 95.2 Ų | 95.2 | 34% | 0.344 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 130.6 | 172.8 | -52.9 | 0 | 0 | 0 | 0 | 109.2 | L383 K384 F410 N423 G427 | L383-T425 HydrophobicContact CB-CG2 4.07Å; K384-T425 WeakPolarHBondContact CE-OG1 3.47Å; K384-T425 HydrophobicContact CG-CG2 4.39Å; K384-T425 WeakPolarHBondContact CG-OG1 3.35Å; F410-T425 WeakPolarHBondContact CE1-O 3.48Å; N423-T425 PolarHBondContact O-N 3.14Å; T425-G427 PolarHBondContact O-N 3.25Å |
| 426 | A | 80.7 | Confident | 82.4 | Confident | 26 Ų | 26 | 99 Ų | 99 | 22% | 0.215 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 7.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | I408 F410 V424 K428 L429 | I408-A426 HydrophobicContact CD1-CB 3.57Å; I408-A426 HydrophobicContact CG2-CB 4.06Å; F410-A426 HydrophobicContact CE1-CB 3.88Å; F410-A426 HydrophobicContact CZ-CB 4.15Å; V424-A426 PolarHBondContact O-N 3.46Å; A426-K428 PolarHBondContact O-N 3.22Å; A426-K428 VanDerWaalsContact O-N 3.15Å; A426-L429 HydrophobicContact CB-CD1 4.12Å; A426-L429 WeakPolarHBondContact O-CB 3.44Å; A426-L429 PolarHBondContact O-N 3.3Å |
| 427 | G | 83 | Confident | 82.5 | Confident | 9 Ų | 9 | 100 Ų | 100 | 9% | 0.093 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.6 | -21.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V424 T425 L429 Y430 I431 | V424-G427 WeakPolarHBondContact O-CA 3.38Å; V424-G427 PolarHBondContact O-N 3.5Å; T425-G427 PolarHBondContact O-N 3.25Å; G427-L429 VanDerWaalsContact C-N 3.3Å; G427-Y430 PolarHBondContact O-N 3.42Å; G427-I431 PolarHBondContact O-N 2.92Å |
| 428 | K | 86 | Confident | 82.5 | Confident | 184 Ų | 184 | 96.5 Ų | 96.5 | 80% | 0.8 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.9 | -34 | 170.8 | -70.6 | -176.9 | -179.7 | 179.9 | 0 | 112.3 | A426 I431 K432 | A426-K428 PolarHBondContact O-N 3.22Å; A426-K428 VanDerWaalsContact O-N 3.15Å; K428-I431 PolarHBondContact O-N 2.97Å; K428-K432 PolarHBondContact O-N 3.19Å |
| 429 | L | 86 | Confident | 82.5 | Confident | 51 Ų | 51 | 98.2 Ų | 98.2 | 27% | 0.267 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 176.4 | -67.9 | 166 | 0 | 0 | 0 | 110.3 | I278 L280 I408 A426 G427 I431 K432 Y433 | I278-L429 HydrophobicContact CD1-CB 4.12Å; L280-L429 HydrophobicContact CD1-CD1 4.13Å; L280-L429 HydrophobicContact CD2-CD1 4.02Å; L280-L429 HydrophobicContact CD2-CD2 4.22Å; I408-L429 HydrophobicContact CD1-CD1 3.69Å; A426-L429 HydrophobicContact CB-CD1 4.12Å; A426-L429 WeakPolarHBondContact O-CB 3.44Å; A426-L429 PolarHBondContact O-N 3.3Å; G427-L429 VanDerWaalsContact C-N 3.3Å; L429-I431 VanDerWaalsContact C-N 3.35Å; L429-I431 PolarHBondContact O-N 3.22Å; L429-K432 WeakPolarHBondContact O-CB 3.38Å; L429-K432 PolarHBondContact O-N 3.48Å; L429-K432 VanDerWaalsContact O-N 3.15Å; L429-Y433 HydrophobicContact CD2-CE2 4.48Å; L429-Y433 WeakPolarHBondContact O-CD2 3.37Å; L429-Y433 PolarHBondContact O-N 2.89Å |
| 430 | Y | 87.4 | Confident | 82.7 | Confident | 70 Ų | 70 | 94.3 Ų | 94.3 | 28% | 0.275 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -56.5 | -48 | 173.1 | 173.1 | -98.3 | 0 | 0 | 0 | 112 | P416 W417 G427 K432 Y433 S434 | P416-Y430 HydrophobicContact CB-CD1 3.94Å; P416-Y430 HydrophobicContact CB-CG 3.82Å; P416-Y430 HydrophobicContact CG-CD1 4.18Å; P416-Y430 HydrophobicContact CG-CD2 4.06Å; P416-Y430 HydrophobicContact CG-CG 3.67Å; W417-Y430 HydrophobicContact CB-CE1 3.73Å; W417-Y430 HydrophobicContact CB-CE2 4.41Å; W417-Y430 WeakPolarHBondContact CB-OH 3.28Å; W417-Y430 HydrophobicContact CE3-CD2 4.13Å; W417-Y430 AromaticContact CE3-CE2 3.86Å; W417-Y430 HydrophobicContact CE3-CE2 3.86Å; G427-Y430 PolarHBondContact O-N 3.42Å; Y430-K432 VanDerWaalsContact C-N 3.3Å; Y430-K432 PolarHBondContact O-N 3.45Å; Y430-Y433 PolarHBondContact O-N 2.89Å; Y430-S434 VanDerWaalsContact O-CB 3.23Å; Y430-S434 WeakPolarHBondContact O-CB 3.41Å; Y430-S434 PolarHBondContact O-N 3.31Å |
| 431 | I | 85 | Confident | 82.1 | Confident | 84 Ų | 84 | 94.6 Ų | 94.6 | 43% | 0.431 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 178 | -63.8 | 167.6 | 0 | 0 | 0 | 111.3 | G427 K428 L429 R435 | G427-I431 PolarHBondContact O-N 2.92Å; K428-I431 PolarHBondContact O-N 2.97Å; L429-I431 VanDerWaalsContact C-N 3.35Å; L429-I431 PolarHBondContact O-N 3.22Å; I431-R435 WeakPolarHBondContact O-CG 3.35Å; I431-R435 PolarHBondContact O-N 2.79Å |
| 432 | K | 86.6 | Confident | 82.5 | Confident | 118 Ų | 118 | 93.9 Ų | 93.9 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57 | -56.1 | 175.9 | 178.7 | -171.2 | 174.9 | -173.6 | 0 | 110.4 | K428 L429 Y430 M436 | K428-K432 PolarHBondContact O-N 3.19Å; L429-K432 WeakPolarHBondContact O-CB 3.38Å; L429-K432 PolarHBondContact O-N 3.48Å; L429-K432 VanDerWaalsContact O-N 3.15Å; Y430-K432 VanDerWaalsContact C-N 3.3Å; Y430-K432 PolarHBondContact O-N 3.45Å; K432-M436 WeakPolarHBondContact O-CG 3.37Å |
| 433 | Y | 86.4 | Confident | 83.3 | Confident | 80 Ų | 80 | 88.8 Ų | 88.8 | 31% | 0.314 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -72.2 | -35.2 | -175.7 | -70.8 | -70.7 | 0 | 0 | 0 | 113.2 | I278 L280 L429 Y430 R435 M436 | I278-Y433 HydrophobicContact CD1-CD2 4.3Å; I278-Y433 HydrophobicContact CG2-CD2 3.6Å; I278-Y433 HydrophobicContact CG2-CE2 3.48Å; I278-Y433 VanDerWaalsContact CG2-CE2 3.48Å; L280-Y433 HydrophobicContact CD2-CE2 4.05Å; L429-Y433 HydrophobicContact CD2-CE2 4.48Å; L429-Y433 WeakPolarHBondContact O-CD2 3.37Å; L429-Y433 PolarHBondContact O-N 2.89Å; Y430-Y433 PolarHBondContact O-N 2.89Å; Y433-R435 VanDerWaalsContact C-N 3.27Å; Y433-R435 PolarHBondContact O-N 3.01Å; Y433-M436 HydrophobicContact CD1-SD 4.2Å; Y433-M436 WeakPolarHBondContact O-CB 3.29Å; Y433-M436 PolarHBondContact O-N 3.03Å |
| 434 | S | 87 | Confident | 83.8 | Confident | 21 Ų | 21 | 84.6 Ų | 84.6 | 15% | 0.147 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -55.8 | -42.7 | 175.9 | -169.9 | 0 | 0 | 0 | 0 | 111.8 | Y430 M436 T437 E440 | Y430-S434 VanDerWaalsContact O-CB 3.23Å; Y430-S434 WeakPolarHBondContact O-CB 3.41Å; Y430-S434 PolarHBondContact O-N 3.31Å; S434-M436 PolarHBondContact O-N 3.14Å; S434-T437 PolarHBondContact O-N 3.28Å; S434-T437 VanDerWaalsContact O-N 3.16Å; S434-T437 PolarHBondContact O-OG1 3.43Å; S434-E440 WeakPolarHBondContact O-CG 3.31Å |
| 435 | R | 86.3 | Confident | 84.1 | Confident | 183 Ų | 183 | 88.3 Ų | 88.3 | 69% | 0.691 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.6 | 178.1 | -71.5 | 175.1 | 175.3 | -177.5 | -2.5 | 114.5 | I431 Y433 | I431-R435 WeakPolarHBondContact O-CG 3.35Å; I431-R435 PolarHBondContact O-N 2.79Å; Y433-R435 VanDerWaalsContact C-N 3.27Å; Y433-R435 PolarHBondContact O-N 3.01Å |
| 436 | M | 85.9 | Confident | 84.3 | Confident | 119 Ų | 119 | 90.3 Ų | 90.3 | 59% | 0.586 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -4 | 176.8 | -61.7 | 175.2 | 65.7 | 0 | 0 | 111.8 | K432 Y433 S434 | K432-M436 WeakPolarHBondContact O-CG 3.37Å; Y433-M436 HydrophobicContact CD1-SD 4.2Å; Y433-M436 WeakPolarHBondContact O-CB 3.29Å; Y433-M436 PolarHBondContact O-N 3.03Å; S434-M436 PolarHBondContact O-N 3.14Å |
| 437 | T | 87.2 | Confident | 84.5 | Confident | 37 Ų | 37 | 94.6 Ų | 94.6 | 23% | 0.227 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -90.3 | 156 | 175 | 72.1 | 0 | 0 | 0 | 0 | 111 | T219 S434 F439 E440 | T219-T437 HydrophobicContact CG2-CG2 4.23Å; S434-T437 PolarHBondContact O-N 3.28Å; S434-T437 VanDerWaalsContact O-N 3.16Å; S434-T437 PolarHBondContact O-OG1 3.43Å; T437-F439 PolarHBondContact O-N 3Å; T437-E440 PolarHBondContact O-N 2.68Å |
| 438 | E | 88.1 | Confident | 84.6 | Confident | 39 Ų | 39 | 100.7 Ų | 100.7 | 18% | 0.182 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -67.7 | -13.9 | 175.8 | -58.7 | -57.7 | 129.5 | 0 | 0 | 112.6 | T215 E218 T219 E440 K441 | T215-E438 HydrophobicContact CG2-CB 3.65Å; E218-E438 HydrophobicContact CB-CB 4.37Å; E218-E438 HydrophobicContact CB-CG 3.81Å; T219-E438 PolarHBondContact OG1-N 3.09Å; T219-E438 VanDerWaalsContact OG1-N 3.11Å; E438-E440 PolarHBondContact O-N 2.77Å; E438-K441 PolarHBondContact O-N 3.26Å; E438-K441 WeakPolarHBondContact OE1-CE 3.44Å; E438-K441 IonicContact OE1-NZ 3.42Å; E438-K441 PolarHBondContact OE1-NZ 2.84Å; E438-K441 WeakPolarHBondContact OE2-CD 3.4Å; E438-K441 WeakPolarHBondContact OE2-CE 3.43Å; E438-K441 IonicContact OE2-NZ 2.58Å; E438-K441 PolarHBondContact OE2-NZ 2.82Å |
| 439 | F | 85.2 | Confident | 84.5 | Confident | 100 Ų | 100 | 94.3 Ų | 94.3 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -67.1 | -16.7 | 176 | -71.2 | -88 | 0 | 0 | 0 | 114.5 | C212 T215 L216 T437 | C212-F439 HydrophobicContact CB-CE1 4.29Å; C212-F439 HydrophobicContact CB-CZ 4.48Å; T215-F439 HydrophobicContact CG2-CB 4.33Å; T215-F439 HydrophobicContact CG2-CD1 3.77Å; T215-F439 HydrophobicContact CG2-CD2 3.57Å; T215-F439 HydrophobicContact CG2-CE1 3.87Å; T215-F439 HydrophobicContact CG2-CE2 3.65Å; T215-F439 HydrophobicContact CG2-CG 3.62Å; T215-F439 HydrophobicContact CG2-CZ 3.81Å; L216-F439 HydrophobicContact CD2-CE2 3.94Å; L216-F439 HydrophobicContact CD2-CZ 4.34Å; L216-F439 HydrophobicContact CG-CE2 3.94Å; L216-F439 HydrophobicContact CG-CZ 3.92Å; T437-F439 PolarHBondContact O-N 3Å |
| 440 | E | 79.9 | Confident | 84.4 | Confident | 125 Ų | 125 | 97.9 Ų | 97.9 | 58% | 0.584 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -112.1 | 5.4 | -179.1 | -71.9 | -82.6 | 167.1 | 0 | 0 | 113 | S434 T437 E438 | S434-E440 WeakPolarHBondContact O-CG 3.31Å; T437-E440 PolarHBondContact O-N 2.68Å; E438-E440 PolarHBondContact O-N 2.77Å |
| 441 | K | 67.8 | Low | 84.1 | Confident | 199 Ų | 199 | 100.5 Ų | 100.5 | 87% | 0.865 | 45% | 0.453 | S | S | * | . | trans | -86.2 | 0 | 169.2 | -65.9 | -163.9 | -162.4 | 155.8 | 0 | 110.7 | E438 | E438-K441 PolarHBondContact O-N 3.26Å; E438-K441 WeakPolarHBondContact OE1-CE 3.44Å; E438-K441 IonicContact OE1-NZ 3.42Å; E438-K441 PolarHBondContact OE1-NZ 2.84Å; E438-K441 WeakPolarHBondContact OE2-CD 3.4Å; E438-K441 WeakPolarHBondContact OE2-CE 3.43Å; E438-K441 IonicContact OE2-NZ 2.58Å; E438-K441 PolarHBondContact OE2-NZ 2.82Å |
Retrieved 441 of 441 residues in 463.8 ms
(Link to these results)