| 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 | 36.6 | Very low | 69.7 | Low | 222 Ų | 222 | 77 Ų | 77 | 100% | 1.094 | 41% | 0.412 | S | S | * | . | 0 | 114 | 0 | -167.9 | 170.9 | -86.7 | 0 | 0 | 105 | |||||
| 2 | V | 49.1 | Very low | 70.4 | Confident | 149 Ų | 149 | 76.8 Ų | 76.8 | 90% | 0.903 | 42% | 0.418 | S | S | * | . | trans | -91.5 | 107.4 | 178.5 | -179 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 3 | D | 65.9 | Low | 71.1 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | trans | -68.9 | 139.3 | 179.7 | -59 | -38.3 | 0 | 0 | 0 | 109.4 | D23 | D3-D23 HydrophobicContact CB-CB 4.02Å; D3-D23 WeakPolarHBondContact OD2-CB 3.37Å | ||
| 4 | A | 74 | Confident | 72 | Confident | 50 Ų | 50 | 78.1 Ų | 78.1 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | trans | -73.1 | 137.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G21 D22 | A4-G21 VanDerWaalsContact O-CA 3.31Å; A4-G21 WeakPolarHBondContact O-CA 3.32Å; A4-D22 WeakPolarHBondContact CB-OD2 3.47Å; A4-D22 PolarHBondContact O-N 3.07Å; A4-D22 VanDerWaalsContact O-N 3.1Å | ||
| 5 | I | 77.9 | Confident | 72.9 | Confident | 86 Ų | 86 | 80.5 Ų | 80.5 | 44% | 0.441 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 114.8 | 170.1 | -58.4 | 175.7 | 0 | 0 | 0 | 107.7 | T19 Y236 | I5-T19 HydrophobicContact CG2-CG2 4.21Å; I5-Y236 PolarHBondContact O-OH 3.27Å |
| 6 | L | 69.6 | Low | 73.9 | Confident | 35 Ų | 35 | 79.9 Ų | 79.9 | 18% | 0.183 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -28.8 | -174.2 | -59.8 | 174.7 | 0 | 0 | 0 | 113 | G20 D22 D46 V47 R48 | L6-G20 PolarHBondContact N-O 2.95Å; L6-D22 VanDerWaalsContact CD1-OD1 3.27Å; L6-D22 WeakPolarHBondContact CD1-OD1 3.45Å; L6-D46 HydrophobicContact CD1-CB 4.16Å; L6-V47 VanDerWaalsContact CD1-O 3.32Å; L6-V47 WeakPolarHBondContact CD1-O 3.41Å; L6-R48 VanDerWaalsContact CD1-NH1 3.34Å |
| 7 | Y | 69.9 | Low | 74.7 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 13% | 0.125 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 145.1 | -176.9 | -150.2 | -91.4 | 0 | 0 | 0 | 110.8 | R9 T19 G20 V50 Y236 | Y7-R9 HydrophobicContact CE1-CB 4.36Å; Y7-T19 CarbonylContact O-C 3.51Å; Y7-T19 VanDerWaalsContact O-CA 3.28Å; Y7-T19 WeakPolarHBondContact O-CA 3.47Å; Y7-G20 PolarHBondContact N-O 2.91Å; Y7-G20 PolarHBondContact O-N 3.01Å; Y7-V50 HydrophobicContact CD1-CB 3.96Å; Y7-V50 WeakPolarHBondContact CD1-O 3.32Å; Y7-V50 WeakPolarHBondContact CE1-O 3.43Å; Y7-Y236 VanDerWaalsContact C-OH 3.3Å; Y7-Y236 WeakPolarHBondContact CA-OH 3.46Å; Y7-Y236 PolarHBondContact N-OH 2.87Å |
| 8 | C | 81.2 | Confident | 75.3 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 32% | 0.324 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.3 | 167.2 | 90.9 | 0 | 0 | 0 | 0 | 111 | A18 T19 Y236 | C8-A18 CarbonylContact C-O 3.6Å; C8-A18 WeakPolarHBondContact CA-O 3.34Å; C8-T19 HydrophobicContact CB-CG2 4.2Å; C8-Y236 HydrophobicContact CB-CE1 3.95Å; C8-Y236 PolarHBondContact N-OH 3.21Å; C8-Y236 VanDerWaalsContact SG-CE1 3.51Å |
| 9 | R | 80.1 | Confident | 75.8 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 17% | 0.17 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 131.4 | 175.5 | -159.8 | 133.9 | 176.7 | -165.3 | -12 | 111.7 | Y7 F17 A18 V50 D51 W52 V81 H82 | Y7-R9 HydrophobicContact CE1-CB 4.36Å; R9-F17 CarbonylContact O-C 3.41Å; R9-F17 VanDerWaalsContact O-CA 3.31Å; R9-F17 WeakPolarHBondContact O-CA 3.43Å; R9-A18 PolarHBondContact N-O 3.35Å; R9-A18 PolarHBondContact O-N 3.31Å; R9-V50 WeakPolarHBondContact CD-O 3.32Å; R9-D51 WeakPolarHBondContact CD-OD1 3.34Å; R9-D51 IonicContact CZ-OD1 2.8Å; R9-D51 IonicContact CZ-OD2 2.85Å; R9-D51 IonicContact NE-OD1 3.94Å; R9-D51 PolarHBondContact NE-OD1 3.17Å; R9-D51 IonicContact NH1-OD1 3.83Å; R9-D51 PolarHBondContact NH1-OD1 2.94Å; R9-D51 IonicContact NH1-OD2 3.78Å; R9-D51 PolarHBondContact NH1-OD2 3.44Å; R9-D51 IonicContact NH2-OD1 3.65Å; R9-D51 PolarHBondContact NH2-OD1 3.02Å; R9-D51 IonicContact NH2-OD2 3.73Å; R9-D51 PolarHBondContact NH2-OD2 3.19Å; R9-W52 PolarHBondContact O-NE1 3.15Å; R9-V81 PolarHBondContact NH1-O 3.34Å; R9-H82 PolarHBondContact NH1-CE1 3Å; R9-H82 PolarHBondContact NH1-ND1 2.93Å; R9-H82 VanDerWaalsContact NH1-ND1 3.12Å; R9-H82 PolarHBondContact NH2-ND1 2.85Å |
| 10 | F | 82.4 | Confident | 76 | Confident | 98 Ų | 98 | 66.6 Ų | 66.6 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 142.2 | 171.5 | -75.7 | -86.7 | 0 | 0 | 0 | 110.7 | F17 F31 W52 | F10-F17 HydrophobicContact CD1-CB 3.97Å; F10-F17 HydrophobicContact CE1-CB 4.16Å; F10-F17 HydrophobicContact CE1-CD1 4.49Å; F10-F17 HydrophobicContact CG-CB 4.34Å; F10-F31 AromaticContact CE1-CD2 3.6Å; F10-F31 HydrophobicContact CE1-CD2 3.6Å; F10-F31 AromaticContact CE1-CE2 3.6Å; F10-F31 HydrophobicContact CE1-CE2 3.6Å; F10-F31 HydrophobicContact CE1-CG 4.37Å; F10-F31 HydrophobicContact CE1-CZ 4.38Å; F10-F31 HydrophobicContact CZ-CD2 4.34Å; F10-F31 AromaticContact CZ-CE2 3.98Å; F10-F31 HydrophobicContact CZ-CE2 3.98Å; F10-W52 VanDerWaalsContact O-CD1 3.3Å |
| 11 | A | 79.8 | Confident | 76.2 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | trans | -69.1 | 149.7 | 167 | 0 | 0 | 0 | 0 | 0 | 109.2 | S13 D14 K16 W52 | A11-S13 PolarHBondContact O-N 2.93Å; A11-D14 PolarHBondContact O-N 2.68Å; A11-K16 HydrophobicContact CB-CB 4.04Å; A11-K16 WeakPolarHBondContact CB-O 3.49Å; A11-K16 PolarHBondContact N-O 2.66Å; A11-W52 HydrophobicContact CB-CD2 3.85Å; A11-W52 HydrophobicContact CB-CE3 4.08Å; A11-W52 HydrophobicContact CB-CG 4.28Å; A11-W52 HydrophobicContact CB-CH2 4.4Å; A11-W52 HydrophobicContact CB-CZ2 4.19Å; A11-W52 HydrophobicContact CB-CZ3 4.35Å | ||
| 12 | P | 77.9 | Confident | 78.4 | Confident | 74 Ų | 74 | 55.9 Ų | 55.9 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -15.8 | 179.8 | -25.1 | 32.9 | 0 | 0 | 0 | 115.4 | W52 P54 | P12-W52 HydrophobicContact CG-CB 4.4Å; P12-P54 WeakPolarHBondContact CB-O 3.22Å; P12-P54 WeakPolarHBondContact CG-O 3.29Å |
| 13 | S | 80.6 | Confident | 79.9 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5.6 | 175.6 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | A11 L15 | A11-S13 PolarHBondContact O-N 2.93Å; S13-L15 PolarHBondContact O-N 2.8Å |
| 14 | D | 82.9 | Confident | 80.7 | Confident | 100 Ų | 100 | 48.8 Ų | 48.8 | 54% | 0.535 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 58.5 | 0.3 | -172.4 | -60.7 | -30.5 | 0 | 0 | 0 | 115.6 | A11 K16 | A11-D14 PolarHBondContact O-N 2.68Å; D14-K16 VanDerWaalsContact C-N 3.33Å |
| 15 | L | 86.5 | Confident | 81.1 | Confident | 115 Ų | 115 | 46.7 Ų | 46.7 | 60% | 0.602 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -77.9 | -21.5 | 179.2 | -62.9 | 177.5 | 0 | 0 | 0 | 112.8 | S13 F31 | S13-L15 PolarHBondContact O-N 2.8Å; L15-F31 VanDerWaalsContact O-CB 3.31Å; L15-F31 WeakPolarHBondContact O-CB 3.18Å; L15-F31 PolarHBondContact O-N 2.61Å |
| 16 | K | 88 | Confident | 81.4 | Confident | 71 Ų | 71 | 42.7 Ų | 42.7 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 156.8 | -172.4 | -58.4 | -174 | -178.2 | -162.4 | 0 | 110.6 | A11 D14 I28 W29 E37 | A11-K16 HydrophobicContact CB-CB 4.04Å; A11-K16 WeakPolarHBondContact CB-O 3.49Å; A11-K16 PolarHBondContact N-O 2.66Å; D14-K16 VanDerWaalsContact C-N 3.33Å; K16-I28 HydrophobicContact CB-CG2 4.39Å; K16-I28 HydrophobicContact CD-CG2 4.17Å; K16-W29 WeakPolarHBondContact CA-O 3.42Å; K16-W29 WeakPolarHBondContact CB-O 3.4Å; K16-E37 VanDerWaalsContact CD-OE2 3.32Å; K16-E37 WeakPolarHBondContact CD-OE2 3.4Å; K16-E37 WeakPolarHBondContact CE-OE1 3.11Å; K16-E37 WeakPolarHBondContact CE-OE2 3.49Å; K16-E37 IonicContact NZ-OE1 3.28Å; K16-E37 PolarHBondContact NZ-OE1 3.24Å; K16-E37 IonicContact NZ-OE2 3.74Å; K16-E37 PolarHBondContact NZ-OE2 3.44Å |
| 17 | F | 88.1 | Confident | 82.2 | Confident | 41 Ų | 41 | 44.5 Ų | 44.5 | 18% | 0.18 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.3 | 167.2 | 63.4 | -83.2 | 0 | 0 | 0 | 110 | R9 F10 T19 W29 F31 | R9-F17 CarbonylContact O-C 3.41Å; R9-F17 VanDerWaalsContact O-CA 3.31Å; R9-F17 WeakPolarHBondContact O-CA 3.43Å; F10-F17 HydrophobicContact CD1-CB 3.97Å; F10-F17 HydrophobicContact CE1-CB 4.16Å; F10-F17 HydrophobicContact CE1-CD1 4.49Å; F10-F17 HydrophobicContact CG-CB 4.34Å; F17-T19 HydrophobicContact CD2-CG2 4Å; F17-T19 HydrophobicContact CE2-CG2 3.97Å; F17-W29 HydrophobicContact CD1-CB 3.83Å; F17-W29 HydrophobicContact CD2-CB 3.99Å; F17-W29 AromaticContact CD2-CD1 3.69Å; F17-W29 HydrophobicContact CD2-CG 4.04Å; F17-W29 HydrophobicContact CE1-CB 3.39Å; F17-W29 HydrophobicContact CE1-CG 4.18Å; F17-W29 HydrophobicContact CE2-CB 3.57Å; F17-W29 AromaticContact CE2-CD1 3.36Å; F17-W29 HydrophobicContact CE2-CD2 4.23Å; F17-W29 AromaticContact CE2-CG 3.44Å; F17-W29 HydrophobicContact CE2-CG 3.44Å; F17-W29 VanDerWaalsContact CE2-CG 3.44Å; F17-W29 HydrophobicContact CG-CB 4.12Å; F17-W29 HydrophobicContact CZ-CB 3.25Å; F17-W29 AromaticContact CZ-CD1 3.95Å; F17-W29 HydrophobicContact CZ-CD2 4.22Å; F17-W29 AromaticContact CZ-CG 3.52Å; F17-W29 HydrophobicContact CZ-CG 3.52Å; F17-W29 PolarHBondContact N-O 2.85Å; F17-W29 PolarHBondContact O-N 3.01Å; F17-F31 HydrophobicContact CD1-CB 4.26Å; F17-F31 AromaticContact CD1-CD2 3.94Å; F17-F31 HydrophobicContact CD1-CD2 3.94Å; F17-F31 HydrophobicContact CE1-CD2 4.11Å |
| 18 | A | 84.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 145.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | C8 R9 R27 V50 W52 L59 | C8-A18 CarbonylContact C-O 3.6Å; C8-A18 WeakPolarHBondContact CA-O 3.34Å; R9-A18 PolarHBondContact N-O 3.35Å; R9-A18 PolarHBondContact O-N 3.31Å; A18-R27 CarbonylContact C-O 3.58Å; A18-R27 WeakPolarHBondContact CA-O 3.39Å; A18-V50 HydrophobicContact CB-CG1 3.72Å; A18-W52 HydrophobicContact CB-CZ2 3.7Å; A18-L59 HydrophobicContact CB-CD1 3.96Å; A18-L59 HydrophobicContact CB-CD2 4.29Å |
| 19 | T | 84.8 | Confident | 83.5 | Confident | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142 | 172.7 | 60.6 | 0 | 0 | 0 | 0 | 109.9 | I5 Y7 C8 F17 S26 R27 W29 | I5-T19 HydrophobicContact CG2-CG2 4.21Å; Y7-T19 CarbonylContact O-C 3.51Å; Y7-T19 VanDerWaalsContact O-CA 3.28Å; Y7-T19 WeakPolarHBondContact O-CA 3.47Å; C8-T19 HydrophobicContact CB-CG2 4.2Å; F17-T19 HydrophobicContact CD2-CG2 4Å; F17-T19 HydrophobicContact CE2-CG2 3.97Å; T19-S26 CarbonylContact O-C 3.48Å; T19-S26 WeakPolarHBondContact O-CA 3.27Å; T19-R27 PolarHBondContact N-O 3.11Å; T19-R27 PolarHBondContact O-N 3.21Å; T19-W29 PolarHBondContact OG1-NE1 3.42Å |
| 20 | G | 80.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.5 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | L6 Y7 | L6-G20 PolarHBondContact N-O 2.95Å; Y7-G20 PolarHBondContact N-O 2.91Å; Y7-G20 PolarHBondContact O-N 3.01Å |
| 21 | G | 80.5 | Confident | 84.1 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 169.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A4 D23 T25 V47 | A4-G21 VanDerWaalsContact O-CA 3.31Å; A4-G21 WeakPolarHBondContact O-CA 3.32Å; G21-D23 PolarHBondContact O-N 2.09Å; G21-T25 PolarHBondContact N-O 3.24Å; G21-T25 VanDerWaalsContact N-O 3.17Å; G21-V47 PolarHBondContact O-N 2.9Å |
| 22 | D | 82 | Confident | 84.3 | Confident | 58 Ų | 58 | 53.1 Ų | 53.1 | 31% | 0.31 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.3 | 166 | -74.9 | -39.8 | 0 | 0 | 0 | 112 | A4 L6 S24 R48 | A4-D22 WeakPolarHBondContact CB-OD2 3.47Å; A4-D22 PolarHBondContact O-N 3.07Å; A4-D22 VanDerWaalsContact O-N 3.1Å; L6-D22 VanDerWaalsContact CD1-OD1 3.27Å; L6-D22 WeakPolarHBondContact CD1-OD1 3.45Å; D22-S24 PolarHBondContact O-N 3.35Å; D22-R48 IonicContact OD1-CZ 3.68Å; D22-R48 IonicContact OD1-NH1 2.92Å; D22-R48 IonicContact OD1-NH2 3.25Å; D22-R48 PolarHBondContact OD1-NH2 3.45Å |
| 23 | D | 82 | Confident | 84.9 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 20% | 0.198 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 11 | 176 | 76.1 | -11.7 | 0 | 0 | 0 | 114 | D3 G21 T25 R27 | D3-D23 HydrophobicContact CB-CB 4.02Å; D3-D23 WeakPolarHBondContact OD2-CB 3.37Å; G21-D23 PolarHBondContact O-N 2.09Å; D23-T25 WeakPolarHBondContact O-CG2 3.48Å; D23-T25 PolarHBondContact O-N 2.89Å; D23-T25 VanDerWaalsContact O-N 3.11Å; D23-T25 WeakPolarHBondContact OD1-CA 3.36Å; D23-T25 WeakPolarHBondContact OD1-CB 3.39Å; D23-T25 PolarHBondContact OD1-N 3.12Å; D23-T25 PolarHBondContact OD1-OG1 3.45Å; D23-T25 PolarHBondContact OD2-OG1 3.4Å; D23-R27 IonicContact OD2-CZ 3.25Å; D23-R27 IonicContact OD2-NE 2.67Å; D23-R27 PolarHBondContact OD2-NE 3.29Å; D23-R27 IonicContact OD2-NH2 3.77Å; D23-R27 PolarHBondContact OD2-NH2 3.04Å |
| 24 | S | 81.5 | Confident | 85.2 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 62 | 14.3 | -178.2 | 103.8 | 0 | 0 | 0 | 0 | 113.9 | D22 C43 S45 | D22-S24 PolarHBondContact O-N 3.35Å; S24-C43 WeakPolarHBondContact CB-O 3.33Å; S24-C43 PolarHBondContact OG-O 3.12Å; S24-S45 WeakPolarHBondContact CA-O 3.49Å |
| 25 | T | 83.2 | Confident | 85.5 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | trans | -111.2 | 150.8 | 178.5 | 79.1 | 0 | 0 | 0 | 0 | 112.5 | G21 D23 R27 I39 R41 | G21-T25 PolarHBondContact N-O 3.24Å; G21-T25 VanDerWaalsContact N-O 3.17Å; D23-T25 WeakPolarHBondContact O-CG2 3.48Å; D23-T25 PolarHBondContact O-N 2.89Å; D23-T25 VanDerWaalsContact O-N 3.11Å; D23-T25 WeakPolarHBondContact OD1-CA 3.36Å; D23-T25 WeakPolarHBondContact OD1-CB 3.39Å; D23-T25 PolarHBondContact OD1-N 3.12Å; D23-T25 PolarHBondContact OD1-OG1 3.45Å; D23-T25 PolarHBondContact OD2-OG1 3.4Å; T25-R27 PolarHBondContact OG1-NE 3.32Å; T25-I39 HydrophobicContact CG2-CG2 3.93Å; T25-R41 HydrophobicContact CG2-CG 4.13Å | ||
| 26 | S | 83.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 130.9 | 159.4 | -49.2 | 0 | 0 | 0 | 0 | 109.1 | T19 L40 V47 T61 | T19-S26 CarbonylContact O-C 3.48Å; T19-S26 WeakPolarHBondContact O-CA 3.27Å; S26-L40 PolarHBondContact N-O 2.95Å; S26-L40 WeakPolarHBondContact O-CA 3.01Å; S26-L40 VanDerWaalsContact O-CB 3.29Å; S26-L40 WeakPolarHBondContact O-CB 2.82Å; S26-L40 PolarHBondContact O-N 3.31Å; S26-V47 WeakPolarHBondContact OG-CG1 3.37Å; S26-V47 WeakPolarHBondContact OG-CG2 3.16Å; S26-T61 WeakPolarHBondContact OG-CG2 3.19Å |
| 27 | R | 86.6 | Confident | 85.7 | Confident | 73 Ų | 73 | 52 Ų | 52 | 28% | 0.275 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140.9 | -176.7 | -59.5 | 174.7 | -174.1 | -155.2 | 16.2 | 109.6 | A18 T19 D23 T25 W29 E36 R38 I39 | A18-R27 CarbonylContact C-O 3.58Å; A18-R27 WeakPolarHBondContact CA-O 3.39Å; T19-R27 PolarHBondContact N-O 3.11Å; T19-R27 PolarHBondContact O-N 3.21Å; D23-R27 IonicContact OD2-CZ 3.25Å; D23-R27 IonicContact OD2-NE 2.67Å; D23-R27 PolarHBondContact OD2-NE 3.29Å; D23-R27 IonicContact OD2-NH2 3.77Å; D23-R27 PolarHBondContact OD2-NH2 3.04Å; T25-R27 PolarHBondContact OG1-NE 3.32Å; R27-W29 HydrophobicContact CB-CZ2 4.06Å; R27-E36 HydrophobicContact CB-CG 4.42Å; R27-E36 WeakPolarHBondContact CD-OE2 3.44Å; R27-E36 IonicContact CZ-OE2 3.1Å; R27-E36 IonicContact NE-OE2 3.49Å; R27-E36 IonicContact NH1-OE2 3.58Å; R27-E36 PolarHBondContact NH1-OE2 2.98Å; R27-R38 CarbonylContact C-O 3.6Å; R27-R38 WeakPolarHBondContact CA-O 3.39Å; R27-I39 HydrophobicContact CG-CG2 4.43Å |
| 28 | I | 89.3 | Confident | 85.7 | Confident | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.092 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.3 | 174.2 | -60.9 | 171.9 | 0 | 0 | 0 | 107.4 | K16 E37 R38 L40 W52 | K16-I28 HydrophobicContact CB-CG2 4.39Å; K16-I28 HydrophobicContact CD-CG2 4.17Å; I28-E37 PolarHBondContact O-N 2.67Å; I28-R38 HydrophobicContact CB-CB 4.19Å; I28-R38 HydrophobicContact CD1-CB 4.34Å; I28-R38 PolarHBondContact N-O 3.24Å; I28-R38 PolarHBondContact O-N 3.42Å; I28-L40 HydrophobicContact CD1-CD1 4.17Å; I28-L40 HydrophobicContact CG1-CD1 4.47Å; I28-W52 HydrophobicContact CD1-CH2 3.92Å; I28-W52 HydrophobicContact CG1-CH2 4.08Å; I28-W52 HydrophobicContact CG1-CZ2 4.2Å; I28-W52 HydrophobicContact CG2-CH2 3.91Å; I28-W52 HydrophobicContact CG2-CZ2 4.14Å |
| 29 | W | 89.9 | Confident | 85.8 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 20% | 0.201 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.9 | -175.7 | -55 | 87.4 | 0 | 0 | 0 | 109.6 | K16 F17 T19 R27 T35 E36 | K16-W29 WeakPolarHBondContact CA-O 3.42Å; K16-W29 WeakPolarHBondContact CB-O 3.4Å; F17-W29 HydrophobicContact CD1-CB 3.83Å; F17-W29 HydrophobicContact CD2-CB 3.99Å; F17-W29 AromaticContact CD2-CD1 3.69Å; F17-W29 HydrophobicContact CD2-CG 4.04Å; F17-W29 HydrophobicContact CE1-CB 3.39Å; F17-W29 HydrophobicContact CE1-CG 4.18Å; F17-W29 HydrophobicContact CE2-CB 3.57Å; F17-W29 AromaticContact CE2-CD1 3.36Å; F17-W29 HydrophobicContact CE2-CD2 4.23Å; F17-W29 AromaticContact CE2-CG 3.44Å; F17-W29 HydrophobicContact CE2-CG 3.44Å; F17-W29 VanDerWaalsContact CE2-CG 3.44Å; F17-W29 HydrophobicContact CG-CB 4.12Å; F17-W29 HydrophobicContact CZ-CB 3.25Å; F17-W29 AromaticContact CZ-CD1 3.95Å; F17-W29 HydrophobicContact CZ-CD2 4.22Å; F17-W29 AromaticContact CZ-CG 3.52Å; F17-W29 HydrophobicContact CZ-CG 3.52Å; F17-W29 PolarHBondContact N-O 2.85Å; F17-W29 PolarHBondContact O-N 3.01Å; T19-W29 PolarHBondContact OG1-NE1 3.42Å; R27-W29 HydrophobicContact CB-CZ2 4.06Å; W29-T35 WeakPolarHBondContact CA-O 3.17Å; W29-E36 HydrophobicContact CE3-CB 3.9Å; W29-E36 HydrophobicContact CE3-CG 4.48Å; W29-E36 HydrophobicContact CH2-CB 4.18Å; W29-E36 HydrophobicContact CH2-CG 4.39Å; W29-E36 HydrophobicContact CZ3-CB 3.71Å; W29-E36 HydrophobicContact CZ3-CG 4.34Å |
| 30 | D | 88.8 | Confident | 85.8 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 123.5 | 164.9 | -179.2 | -35 | 0 | 0 | 0 | 108.1 | K32 T33 V34 T35 E37 | D30-K32 VanDerWaalsContact C-N 3.33Å; D30-K32 PolarHBondContact O-N 3.06Å; D30-K32 WeakPolarHBondContact OD1-CA 3.23Å; D30-K32 WeakPolarHBondContact OD1-CB 3.16Å; D30-K32 PolarHBondContact OD1-N 3.24Å; D30-T33 VanDerWaalsContact CB-OG1 3.25Å; D30-T33 WeakPolarHBondContact CB-OG1 3.3Å; D30-T33 PolarHBondContact OD1-N 3.24Å; D30-T33 VanDerWaalsContact OD1-N 3.15Å; D30-V34 VanDerWaalsContact O-CA 3.29Å; D30-V34 WeakPolarHBondContact O-CA 3.15Å; D30-V34 PolarHBondContact O-N 3.04Å; D30-T35 PolarHBondContact N-O 3.25Å; D30-E37 HydrophobicContact CB-CG 3.95Å |
| 31 | F | 85.9 | Confident | 85.7 | Confident | 111 Ų | 111 | 71.7 Ų | 71.7 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -32.2 | -177.1 | -175.5 | -109.1 | 0 | 0 | 0 | 112.9 | F10 L15 F17 | F10-F31 AromaticContact CE1-CD2 3.6Å; F10-F31 HydrophobicContact CE1-CD2 3.6Å; F10-F31 AromaticContact CE1-CE2 3.6Å; F10-F31 HydrophobicContact CE1-CE2 3.6Å; F10-F31 HydrophobicContact CE1-CG 4.37Å; F10-F31 HydrophobicContact CE1-CZ 4.38Å; F10-F31 HydrophobicContact CZ-CD2 4.34Å; F10-F31 AromaticContact CZ-CE2 3.98Å; F10-F31 HydrophobicContact CZ-CE2 3.98Å; L15-F31 VanDerWaalsContact O-CB 3.31Å; L15-F31 WeakPolarHBondContact O-CB 3.18Å; L15-F31 PolarHBondContact O-N 2.61Å; F17-F31 HydrophobicContact CD1-CB 4.26Å; F17-F31 AromaticContact CD1-CD2 3.94Å; F17-F31 HydrophobicContact CD1-CD2 3.94Å; F17-F31 HydrophobicContact CE1-CD2 4.11Å |
| 32 | K | 84.3 | Confident | 84.8 | Confident | 189 Ų | 189 | 73.7 Ų | 73.7 | 82% | 0.822 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -44.6 | -176.4 | -176.2 | -178.6 | 178.5 | -177.2 | 0 | 111.9 | D30 | D30-K32 VanDerWaalsContact C-N 3.33Å; D30-K32 PolarHBondContact O-N 3.06Å; D30-K32 WeakPolarHBondContact OD1-CA 3.23Å; D30-K32 WeakPolarHBondContact OD1-CB 3.16Å; D30-K32 PolarHBondContact OD1-N 3.24Å |
| 33 | T | 89.8 | Confident | 83.6 | Confident | 75 Ų | 75 | 71.1 Ų | 71.1 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -15.4 | -177.5 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | D30 T35 | D30-T33 VanDerWaalsContact CB-OG1 3.25Å; D30-T33 WeakPolarHBondContact CB-OG1 3.3Å; D30-T33 PolarHBondContact OD1-N 3.24Å; D30-T33 VanDerWaalsContact OD1-N 3.15Å; T33-T35 PolarHBondContact O-N 3.22Å; T33-T35 PolarHBondContact OG1-N 3.16Å; T33-T35 PolarHBondContact OG1-OG1 2.95Å |
| 34 | V | 87.6 | Confident | 82.7 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 64% | 0.642 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 34.7 | -173.9 | -161.6 | 0 | 0 | 0 | 0 | 111 | D30 | D30-V34 VanDerWaalsContact O-CA 3.29Å; D30-V34 WeakPolarHBondContact O-CA 3.15Å; D30-V34 PolarHBondContact O-N 3.04Å |
| 35 | T | 88.3 | Confident | 82.2 | Confident | 72 Ų | 72 | 71.4 Ų | 71.4 | 44% | 0.442 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 143.2 | 178 | 58.7 | 0 | 0 | 0 | 0 | 110.8 | W29 D30 T33 E37 | W29-T35 WeakPolarHBondContact CA-O 3.17Å; D30-T35 PolarHBondContact N-O 3.25Å; T33-T35 PolarHBondContact O-N 3.22Å; T33-T35 PolarHBondContact OG1-N 3.16Å; T33-T35 PolarHBondContact OG1-OG1 2.95Å; T35-E37 PolarHBondContact O-N 3.25Å |
| 36 | E | 90.8 | Very high | 81.6 | Confident | 73 Ų | 73 | 72.5 Ų | 72.5 | 34% | 0.341 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 120 | 169.7 | -166.3 | -170.8 | 100.9 | 0 | 0 | 109.1 | R27 W29 I39 | R27-E36 HydrophobicContact CB-CG 4.42Å; R27-E36 WeakPolarHBondContact CD-OE2 3.44Å; R27-E36 IonicContact CZ-OE2 3.1Å; R27-E36 IonicContact NE-OE2 3.49Å; R27-E36 IonicContact NH1-OE2 3.58Å; R27-E36 PolarHBondContact NH1-OE2 2.98Å; W29-E36 HydrophobicContact CE3-CB 3.9Å; W29-E36 HydrophobicContact CE3-CG 4.48Å; W29-E36 HydrophobicContact CH2-CB 4.18Å; W29-E36 HydrophobicContact CH2-CG 4.39Å; W29-E36 HydrophobicContact CZ3-CB 3.71Å; W29-E36 HydrophobicContact CZ3-CG 4.34Å; E36-I39 WeakPolarHBondContact OE1-CD1 3.32Å; E36-I39 WeakPolarHBondContact OE1-CG1 3.32Å |
| 37 | E | 88.4 | Confident | 81 | Confident | 84 Ų | 84 | 72.5 Ų | 72.5 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -35 | 176 | -70 | -171.8 | 154.6 | 0 | 0 | 112.1 | K16 I28 D30 T35 | K16-E37 VanDerWaalsContact CD-OE2 3.32Å; K16-E37 WeakPolarHBondContact CD-OE2 3.4Å; K16-E37 WeakPolarHBondContact CE-OE1 3.11Å; K16-E37 WeakPolarHBondContact CE-OE2 3.49Å; K16-E37 IonicContact NZ-OE1 3.28Å; K16-E37 PolarHBondContact NZ-OE1 3.24Å; K16-E37 IonicContact NZ-OE2 3.74Å; K16-E37 PolarHBondContact NZ-OE2 3.44Å; I28-E37 PolarHBondContact O-N 2.67Å; D30-E37 HydrophobicContact CB-CG 3.95Å; T35-E37 PolarHBondContact O-N 3.25Å |
| 38 | R | 87.9 | Confident | 80.4 | Confident | 167 Ų | 167 | 72.2 Ų | 72.2 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 139 | -172 | -145.6 | 177.5 | -154 | -176.5 | 6.5 | 112.6 | R27 I28 L40 | R27-R38 CarbonylContact C-O 3.6Å; R27-R38 WeakPolarHBondContact CA-O 3.39Å; I28-R38 HydrophobicContact CB-CB 4.19Å; I28-R38 HydrophobicContact CD1-CB 4.34Å; I28-R38 PolarHBondContact N-O 3.24Å; I28-R38 PolarHBondContact O-N 3.42Å; R38-L40 HydrophobicContact CG-CD2 4.44Å |
| 39 | I | 87.6 | Confident | 79.7 | Confident | 57 Ų | 57 | 71.4 Ų | 71.4 | 29% | 0.292 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.8 | 166.5 | -48.5 | 179.4 | 0 | 0 | 0 | 109 | T25 R27 E36 R41 | T25-I39 HydrophobicContact CG2-CG2 3.93Å; R27-I39 HydrophobicContact CG-CG2 4.43Å; E36-I39 WeakPolarHBondContact OE1-CD1 3.32Å; E36-I39 WeakPolarHBondContact OE1-CG1 3.32Å; I39-R41 HydrophobicContact CG2-CG 3.65Å |
| 40 | L | 83.2 | Confident | 79 | Confident | 48 Ų | 48 | 68.9 Ų | 68.9 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 103.1 | 172.7 | -53.6 | 176.6 | 0 | 0 | 0 | 108.4 | S26 I28 R38 A42 L59 | S26-L40 PolarHBondContact N-O 2.95Å; S26-L40 WeakPolarHBondContact O-CA 3.01Å; S26-L40 VanDerWaalsContact O-CB 3.29Å; S26-L40 WeakPolarHBondContact O-CB 2.82Å; S26-L40 PolarHBondContact O-N 3.31Å; I28-L40 HydrophobicContact CD1-CD1 4.17Å; I28-L40 HydrophobicContact CG1-CD1 4.47Å; R38-L40 HydrophobicContact CG-CD2 4.44Å; L40-A42 PolarHBondContact O-N 2.78Å; L40-L59 HydrophobicContact CD1-CD2 3.4Å |
| 41 | R | 79.3 | Confident | 78.5 | Confident | 192 Ų | 192 | 67.2 Ų | 67.2 | 73% | 0.725 | 34% | 0.342 | S | S | * | . | trans | -101.3 | 54.5 | 179.3 | -59.3 | -177.8 | -177.9 | -117.6 | 0 | 111.1 | T25 I39 | T25-R41 HydrophobicContact CG2-CG 4.13Å; I39-R41 HydrophobicContact CG2-CG 3.65Å | ||
| 42 | A | 61 | Low | 78.3 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 41% | 0.413 | 32% | 0.324 | S | S | . | . | trans | -91.9 | -34 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | L40 G44 R63 | L40-A42 PolarHBondContact O-N 2.78Å; A42-G44 PolarHBondContact O-N 2.8Å; A42-R63 PolarHBondContact O-NH1 2.88Å; A42-R63 PolarHBondContact O-NH2 3.16Å | ||
| 43 | C | 57.3 | Low | 78.1 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.02 | 29% | 0.286 | C | S | . | . | trans | -86 | 104.6 | -170.1 | -55.6 | 0 | 0 | 0 | 0 | 110 | S24 S45 V47 T61 R63 | S24-C43 WeakPolarHBondContact CB-O 3.33Å; S24-C43 PolarHBondContact OG-O 3.12Å; C43-S45 WeakPolarHBondContact CB-O 3.33Å; C43-S45 PolarHBondContact O-N 3.2Å; C43-V47 HydrophobicContact CB-CG2 3.79Å; C43-T61 PolarHBondContact SG-OG1 3.27Å; C43-T61 VanDerWaalsContact SG-OG1 3.35Å; C43-R63 VanDerWaalsContact CA-CZ 3.42Å; C43-R63 VanDerWaalsContact CA-NE 3.35Å; C43-R63 HydrophobicContact CB-CG 3.79Å; C43-R63 PolarHBondContact SG-NE 2.85Å | ||
| 44 | G | 62.5 | Low | 77.4 | Confident | 73 Ų | 73 | 53.2 Ų | 53.2 | 75% | 0.753 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -69 | 16.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | A42 | A42-G44 PolarHBondContact O-N 2.8Š|
| 45 | S | 70.5 | Confident | 76.8 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -157.4 | 168.4 | -179.6 | 57 | 0 | 0 | 0 | 0 | 110.3 | S24 C43 V47 D65 | S24-S45 WeakPolarHBondContact CA-O 3.49Å; C43-S45 WeakPolarHBondContact CB-O 3.33Å; C43-S45 PolarHBondContact O-N 3.2Å; S45-V47 PolarHBondContact O-N 2.64Å; S45-D65 WeakPolarHBondContact CB-OD2 3.35Å; S45-D65 PolarHBondContact OG-N 3.27Å |
| 46 | D | 70.6 | Confident | 76.1 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 16% | 0.16 | 28% | 0.279 | C | S | . | . | trans | -48.5 | 135.8 | -176.7 | -39.1 | -17.4 | 0 | 0 | 0 | 112.4 | L6 R48 R64 | L6-D46 HydrophobicContact CD1-CB 4.16Å; D46-R48 HydrophobicContact CB-CG 4.48Å; D46-R48 PolarHBondContact O-N 2.88Å; D46-R48 IonicContact OD2-CZ 2.69Å; D46-R48 IonicContact OD2-NE 2.82Å; D46-R48 IonicContact OD2-NH2 3.68Å; D46-R48 PolarHBondContact OD2-NH2 2.85Å; D46-R64 PolarHBondContact O-N 2.83Å; D46-R64 WeakPolarHBondContact OD2-CD 3.31Å; D46-R64 IonicContact OD2-NH1 3.65Å; D46-R64 PolarHBondContact OD2-NH1 2.68Å | ||
| 47 | V | 72.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 105.5 | 176.1 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | L6 G21 S26 C43 S45 V50 T61 G62 | L6-V47 VanDerWaalsContact CD1-O 3.32Å; L6-V47 WeakPolarHBondContact CD1-O 3.41Å; G21-V47 PolarHBondContact O-N 2.9Å; S26-V47 WeakPolarHBondContact OG-CG1 3.37Å; S26-V47 WeakPolarHBondContact OG-CG2 3.16Å; C43-V47 HydrophobicContact CB-CG2 3.79Å; S45-V47 PolarHBondContact O-N 2.64Å; V47-V50 HydrophobicContact CG1-CG2 3.59Å; V47-T61 HydrophobicContact CG1-CG2 4.44Å; V47-G62 CarbonylContact C-O 3.59Å; V47-G62 WeakPolarHBondContact CA-O 3.18Å |
| 48 | R | 73.3 | Confident | 75 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -15.2 | -172.4 | -66.6 | -77.2 | 165.9 | -163.3 | -7.6 | 114.1 | L6 D22 D46 G62 M78 | L6-R48 VanDerWaalsContact CD1-NH1 3.34Å; D22-R48 IonicContact OD1-CZ 3.68Å; D22-R48 IonicContact OD1-NH1 2.92Å; D22-R48 IonicContact OD1-NH2 3.25Å; D22-R48 PolarHBondContact OD1-NH2 3.45Å; D46-R48 HydrophobicContact CB-CG 4.48Å; D46-R48 PolarHBondContact O-N 2.88Å; D46-R48 IonicContact OD2-CZ 2.69Å; D46-R48 IonicContact OD2-NE 2.82Å; D46-R48 IonicContact OD2-NH2 3.68Å; D46-R48 PolarHBondContact OD2-NH2 2.85Å; R48-G62 PolarHBondContact N-O 3.49Å; R48-M78 WeakPolarHBondContact CB-O 3.25Å |
| 49 | A | 73.9 | Confident | 74.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 146 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T61 G62 V81 | A49-T61 CarbonylContact O-C 3.44Å; A49-T61 VanDerWaalsContact O-CA 3.28Å; A49-T61 WeakPolarHBondContact O-CA 3.31Å; A49-G62 PolarHBondContact O-N 3.09Å; A49-V81 HydrophobicContact CB-CB 4.12Å; A49-V81 HydrophobicContact CB-CG2 3.74Å |
| 50 | V | 75.2 | Confident | 74.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 133.4 | 173.5 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | Y7 R9 A18 V47 L59 V60 T61 | Y7-V50 HydrophobicContact CD1-CB 3.96Å; Y7-V50 WeakPolarHBondContact CD1-O 3.32Å; Y7-V50 WeakPolarHBondContact CE1-O 3.43Å; R9-V50 WeakPolarHBondContact CD-O 3.32Å; A18-V50 HydrophobicContact CB-CG1 3.72Å; V47-V50 HydrophobicContact CG1-CG2 3.59Å; V50-L59 HydrophobicContact CG1-CD1 3.68Å; V50-L59 HydrophobicContact CG1-CD2 4.1Å; V50-L59 HydrophobicContact CG1-CG 4.01Å; V50-V60 CarbonylContact C-O 3.51Å; V50-V60 WeakPolarHBondContact CA-O 3.37Å; V50-T61 HydrophobicContact CG2-CG2 4.31Å |
| 51 | D | 79.7 | Confident | 73.7 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.8 | 170.7 | -161.6 | 7.2 | 0 | 0 | 0 | 113.3 | R9 L59 V60 V81 H82 F83 | R9-D51 WeakPolarHBondContact CD-OD1 3.34Å; R9-D51 IonicContact CZ-OD1 2.8Å; R9-D51 IonicContact CZ-OD2 2.85Å; R9-D51 IonicContact NE-OD1 3.94Å; R9-D51 PolarHBondContact NE-OD1 3.17Å; R9-D51 IonicContact NH1-OD1 3.83Å; R9-D51 PolarHBondContact NH1-OD1 2.94Å; R9-D51 IonicContact NH1-OD2 3.78Å; R9-D51 PolarHBondContact NH1-OD2 3.44Å; R9-D51 IonicContact NH2-OD1 3.65Å; R9-D51 PolarHBondContact NH2-OD1 3.02Å; R9-D51 IonicContact NH2-OD2 3.73Å; R9-D51 PolarHBondContact NH2-OD2 3.19Å; D51-L59 CarbonylContact O-C 3.52Å; D51-L59 WeakPolarHBondContact O-CA 3.14Å; D51-L59 WeakPolarHBondContact O-CD1 3.4Å; D51-V60 PolarHBondContact N-O 3.47Å; D51-V60 PolarHBondContact O-N 2.82Å; D51-V81 HydrophobicContact CB-CG1 4.17Å; D51-H82 WeakPolarHBondContact OD2-CA 3.22Å; D51-F83 HydrophobicContact CB-CD2 4.12Å; D51-F83 PolarHBondContact OD2-N 3.5Å |
| 52 | W | 80.3 | Confident | 73.3 | Confident | 31 Ų | 31 | 34 Ų | 34 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132 | 171.7 | -67.7 | 89.9 | 0 | 0 | 0 | 110.1 | R9 F10 A11 P12 A18 I28 L59 | R9-W52 PolarHBondContact O-NE1 3.15Å; F10-W52 VanDerWaalsContact O-CD1 3.3Å; A11-W52 HydrophobicContact CB-CD2 3.85Å; A11-W52 HydrophobicContact CB-CE3 4.08Å; A11-W52 HydrophobicContact CB-CG 4.28Å; A11-W52 HydrophobicContact CB-CH2 4.4Å; A11-W52 HydrophobicContact CB-CZ2 4.19Å; A11-W52 HydrophobicContact CB-CZ3 4.35Å; P12-W52 HydrophobicContact CG-CB 4.4Å; A18-W52 HydrophobicContact CB-CZ2 3.7Å; I28-W52 HydrophobicContact CD1-CH2 3.92Å; I28-W52 HydrophobicContact CG1-CH2 4.08Å; I28-W52 HydrophobicContact CG1-CZ2 4.2Å; I28-W52 HydrophobicContact CG2-CH2 3.91Å; I28-W52 HydrophobicContact CG2-CZ2 4.14Å; W52-L59 HydrophobicContact CB-CD1 4.47Å; W52-L59 HydrophobicContact CD2-CD1 3.4Å; W52-L59 VanDerWaalsContact CD2-CD1 3.4Å; W52-L59 VanDerWaalsContact CE2-CD1 3.46Å; W52-L59 HydrophobicContact CE3-CD1 3.89Å; W52-L59 HydrophobicContact CG-CD1 3.66Å; W52-L59 HydrophobicContact CH2-CD1 4.43Å; W52-L59 HydrophobicContact CZ2-CD1 4.01Å; W52-L59 HydrophobicContact CZ3-CD1 4.37Å |
| 53 | H | 81 | Confident | 73.8 | Confident | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | trans | -66.8 | 135.3 | 168.5 | -175.7 | -61 | 0 | 0 | 0 | 109.5 | S55 K56 L58 F83 | H53-S55 VanDerWaalsContact C-N 3.31Å; H53-S55 PolarHBondContact CE1-OG 2.86Å; H53-S55 PolarHBondContact ND1-N 3.41Å; H53-S55 VanDerWaalsContact ND1-N 3.14Å; H53-S55 PolarHBondContact O-N 2.86Å; H53-S55 VanDerWaalsContact O-N 3.16Å; H53-K56 WeakPolarHBondContact CE1-CG 3.49Å; H53-K56 PolarHBondContact ND1-N 3.36Å; H53-K56 WeakPolarHBondContact NE2-CD 3.16Å; H53-L58 HydrophobicContact CB-CB 3.69Å; H53-L58 HydrophobicContact CB-CG 4.48Å; H53-L58 WeakPolarHBondContact CB-O 3.43Å; H53-L58 PolarHBondContact N-O 3.45Å; H53-F83 HydrophobicContact CB-CD1 4.4Å; H53-F83 HydrophobicContact CB-CD2 3.96Å; H53-F83 HydrophobicContact CB-CE1 4.36Å; H53-F83 HydrophobicContact CB-CE2 3.9Å; H53-F83 HydrophobicContact CB-CG 4.19Å; H53-F83 HydrophobicContact CB-CZ 4.08Å; H53-F83 AromaticContact CD2-CD1 3.71Å; H53-F83 AromaticContact CD2-CE1 3.71Å | ||
| 54 | P | 75.7 | Confident | 74.1 | Confident | 44 Ų | 44 | 39.5 Ų | 39.5 | 29% | 0.286 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -38 | -174.9 | 24.2 | -41.6 | 0 | 0 | 0 | 115 | P12 A85 | P12-P54 WeakPolarHBondContact CB-O 3.22Å; P12-P54 WeakPolarHBondContact CG-O 3.29Å; P54-A85 WeakPolarHBondContact CG-O 3.36Å |
| 55 | S | 75 | Confident | 73.7 | Confident | 97 Ų | 97 | 40.5 Ų | 40.5 | 68% | 0.678 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -133 | -26.4 | -174.1 | 56.5 | 0 | 0 | 0 | 0 | 116.8 | H53 G57 | H53-S55 VanDerWaalsContact C-N 3.31Å; H53-S55 PolarHBondContact CE1-OG 2.86Å; H53-S55 PolarHBondContact ND1-N 3.41Å; H53-S55 VanDerWaalsContact ND1-N 3.14Å; H53-S55 PolarHBondContact O-N 2.86Å; H53-S55 VanDerWaalsContact O-N 3.16Å; S55-G57 VanDerWaalsContact C-N 3.35Å; S55-G57 PolarHBondContact O-N 3.41Å |
| 56 | K | 73.9 | Confident | 72.6 | Confident | 99 Ų | 99 | 43.2 Ų | 43.2 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 2.1 | -170 | -65.9 | -177.4 | -169.8 | -172.1 | 0 | 115.4 | H53 L58 N88 I104 | H53-K56 WeakPolarHBondContact CE1-CG 3.49Å; H53-K56 PolarHBondContact ND1-N 3.36Å; H53-K56 WeakPolarHBondContact NE2-CD 3.16Å; K56-L58 HydrophobicContact CB-CD1 3.97Å; K56-L58 HydrophobicContact CB-CG 3.92Å; K56-L58 HydrophobicContact CD-CD1 4.1Å; K56-L58 PolarHBondContact O-N 3.4Å; K56-N88 WeakPolarHBondContact CE-OD1 3.35Å; K56-N88 VanDerWaalsContact NZ-CG 3.26Å; K56-N88 PolarHBondContact NZ-OD1 3.49Å; K56-I104 HydrophobicContact CD-CD1 4.26Å |
| 57 | G | 75.6 | Confident | 70.9 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 68% | 0.68 | 26% | 0.262 | S | S | * | . | trans | 62.3 | 24.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S55 | S55-G57 VanDerWaalsContact C-N 3.35Å; S55-G57 PolarHBondContact O-N 3.41Å | ||
| 58 | L | 78.9 | Confident | 68.9 | Low | 78 Ų | 78 | 56 Ų | 56 | 41% | 0.408 | 30% | 0.296 | S | S | . | . | trans | -90.4 | 147.4 | 175.4 | -58.3 | 170.9 | 0 | 0 | 0 | 109.8 | H53 K56 I104 | H53-L58 HydrophobicContact CB-CB 3.69Å; H53-L58 HydrophobicContact CB-CG 4.48Å; H53-L58 WeakPolarHBondContact CB-O 3.43Å; H53-L58 PolarHBondContact N-O 3.45Å; K56-L58 HydrophobicContact CB-CD1 3.97Å; K56-L58 HydrophobicContact CB-CG 3.92Å; K56-L58 HydrophobicContact CD-CD1 4.1Å; K56-L58 PolarHBondContact O-N 3.4Å; L58-I104 HydrophobicContact CD1-CD1 3.88Å | ||
| 59 | L | 80.5 | Confident | 66.7 | Low | 26 Ų | 26 | 57.6 Ų | 57.6 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134.8 | 170.4 | -168.1 | 82.1 | 0 | 0 | 0 | 108.1 | A18 L40 V50 D51 W52 T61 | A18-L59 HydrophobicContact CB-CD1 3.96Å; A18-L59 HydrophobicContact CB-CD2 4.29Å; L40-L59 HydrophobicContact CD1-CD2 3.4Å; V50-L59 HydrophobicContact CG1-CD1 3.68Å; V50-L59 HydrophobicContact CG1-CD2 4.1Å; V50-L59 HydrophobicContact CG1-CG 4.01Å; D51-L59 CarbonylContact O-C 3.52Å; D51-L59 WeakPolarHBondContact O-CA 3.14Å; D51-L59 WeakPolarHBondContact O-CD1 3.4Å; W52-L59 HydrophobicContact CB-CD1 4.47Å; W52-L59 HydrophobicContact CD2-CD1 3.4Å; W52-L59 VanDerWaalsContact CD2-CD1 3.4Å; W52-L59 VanDerWaalsContact CE2-CD1 3.46Å; W52-L59 HydrophobicContact CE3-CD1 3.89Å; W52-L59 HydrophobicContact CG-CD1 3.66Å; W52-L59 HydrophobicContact CH2-CD1 4.43Å; W52-L59 HydrophobicContact CZ2-CD1 4.01Å; W52-L59 HydrophobicContact CZ3-CD1 4.37Å; L59-T61 HydrophobicContact CD2-CG2 4.21Å |
| 60 | V | 76.7 | Confident | 64.6 | Low | 12 Ų | 12 | 62.3 Ų | 62.3 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141.3 | 170.9 | 174.9 | 0 | 0 | 0 | 0 | 109.2 | V50 D51 V81 F83 L90 | V50-V60 CarbonylContact C-O 3.51Å; V50-V60 WeakPolarHBondContact CA-O 3.37Å; D51-V60 PolarHBondContact N-O 3.47Å; D51-V60 PolarHBondContact O-N 2.82Å; V60-V81 HydrophobicContact CB-CG1 3.98Å; V60-V81 HydrophobicContact CG1-CG1 3.61Å; V60-V81 HydrophobicContact CG1-CG2 4.31Å; V60-F83 HydrophobicContact CB-CE2 3.91Å; V60-F83 HydrophobicContact CB-CZ 4.18Å; V60-F83 HydrophobicContact CG2-CE1 4.33Å; V60-F83 HydrophobicContact CG2-CE2 3.47Å; V60-F83 VanDerWaalsContact CG2-CE2 3.47Å; V60-F83 HydrophobicContact CG2-CZ 3.25Å; V60-L90 HydrophobicContact CB-CD1 4.3Å; V60-L90 HydrophobicContact CG1-CD1 4.22Å; V60-L90 HydrophobicContact CG1-CD2 4.24Å; V60-L90 HydrophobicContact CG2-CD1 4.09Å; V60-L90 HydrophobicContact CG2-CD2 3.95Å |
| 61 | T | 75.4 | Confident | 62.5 | Low | 17 Ų | 17 | 72.3 Ų | 72.3 | 10% | 0.104 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.7 | 178.1 | 60.8 | 0 | 0 | 0 | 0 | 109.2 | S26 C43 V47 A49 V50 L59 | S26-T61 WeakPolarHBondContact OG-CG2 3.19Å; C43-T61 PolarHBondContact SG-OG1 3.27Å; C43-T61 VanDerWaalsContact SG-OG1 3.35Å; V47-T61 HydrophobicContact CG1-CG2 4.44Å; A49-T61 CarbonylContact O-C 3.44Å; A49-T61 VanDerWaalsContact O-CA 3.28Å; A49-T61 WeakPolarHBondContact O-CA 3.31Å; V50-T61 HydrophobicContact CG2-CG2 4.31Å; L59-T61 HydrophobicContact CD2-CG2 4.21Å |
| 62 | G | 70.9 | Confident | 60.2 | Low | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 141 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V47 R48 A49 | V47-G62 CarbonylContact C-O 3.59Å; V47-G62 WeakPolarHBondContact CA-O 3.18Å; R48-G62 PolarHBondContact N-O 3.49Å; A49-G62 PolarHBondContact O-N 3.09Å |
| 63 | R | 71 | Confident | 58.1 | Low | 55 Ų | 55 | 78.4 Ų | 78.4 | 21% | 0.208 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 158.2 | -177.1 | -64.4 | -175.8 | -162.1 | -176.8 | -1.3 | 112.4 | A42 C43 M78 | A42-R63 PolarHBondContact O-NH1 2.88Å; A42-R63 PolarHBondContact O-NH2 3.16Å; C43-R63 VanDerWaalsContact CA-CZ 3.42Å; C43-R63 VanDerWaalsContact CA-NE 3.35Å; C43-R63 HydrophobicContact CB-CG 3.79Å; C43-R63 PolarHBondContact SG-NE 2.85Å; R63-M78 PolarHBondContact O-N 2.82Å; R63-M78 VanDerWaalsContact O-N 3.15Å |
| 64 | R | 63.5 | Low | 56 | Low | 113 Ų | 113 | 79.8 Ų | 79.8 | 43% | 0.426 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -77.3 | -42.2 | 173.1 | -169.4 | 178 | 179 | 172.4 | -3.3 | 112.9 | D46 G77 | D46-R64 PolarHBondContact O-N 2.83Å; D46-R64 WeakPolarHBondContact OD2-CD 3.31Å; D46-R64 IonicContact OD2-NH1 3.65Å; D46-R64 PolarHBondContact OD2-NH1 2.68Å; R64-G77 WeakPolarHBondContact O-CA 3.07Å; R64-G77 PolarHBondContact O-N 3.3Å |
| 65 | D | 54.7 | Low | 53.9 | Low | 95 Ų | 95 | 79.6 Ų | 79.6 | 51% | 0.508 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -100.8 | 155.9 | -162 | -62.6 | -19.8 | 0 | 0 | 0 | 115.6 | S45 Q67 | S45-D65 WeakPolarHBondContact CB-OD2 3.35Å; S45-D65 PolarHBondContact OG-N 3.27Å; D65-Q67 PolarHBondContact O-N 2.77Å |
| 66 | S | 46 | Very low | 52.1 | Low | 67 Ų | 67 | 77.9 Ų | 77.9 | 47% | 0.469 | 41% | 0.412 | S | S | . | . | trans | -87 | 20.6 | -158 | 64.5 | 0 | 0 | 0 | 0 | 116.8 | N76 | S66-N76 WeakPolarHBondContact CA-OD1 3.3Å; S66-N76 WeakPolarHBondContact CB-OD1 3.46Å | ||
| 67 | Q | 35.7 | Very low | 51 | Low | 146 Ų | 146 | 73.5 Ų | 73.5 | 68% | 0.682 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -124.3 | 94.7 | -166.6 | -64.1 | -67.2 | -20.8 | 0 | 0 | 112.2 | D65 | D65-Q67 PolarHBondContact O-N 2.77Š|
| 68 | Q | 29.8 | Very low | 50 | Low | 151 Ų | 151 | 70.9 Ų | 70.9 | 71% | 0.706 | 37% | 0.365 | S | S | * | . | trans | 80.4 | 127.5 | 155.5 | -54 | -159.5 | 1 | 0 | 0 | 119.9 | V70 | Q68-V70 PolarHBondContact O-N 2.81Š| ||
| 69 | P | 27.4 | Very low | 49 | Very low | 103 Ų | 103 | 68.8 Ų | 68.8 | 67% | 0.669 | 36% | 0.355 | S | S | * | . | trans | -81.3 | 111.2 | 172.5 | 31.9 | -30.1 | 0 | 0 | 0 | 110.5 | ||||
| 70 | V | 28.9 | Very low | 48.1 | Very low | 98 Ų | 98 | 68.1 Ų | 68.1 | 59% | 0.594 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -108 | 100.9 | 170.3 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | Q68 H72 | Q68-V70 PolarHBondContact O-N 2.81Å; V70-H72 PolarHBondContact O-CD2 3.48Å; V70-H72 VanDerWaalsContact O-CD2 3.31Å; V70-H72 PolarHBondContact O-N 2.9Å |
| 71 | K | 31.7 | Very low | 47.3 | Very low | 210 Ų | 210 | 67.5 Ų | 67.5 | 91% | 0.913 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 46.4 | 10.3 | 173.8 | -97.7 | -178.8 | 176.7 | 178.4 | 0 | 117.6 | ||
| 72 | H | 32.7 | Very low | 47 | Very low | 88 Ų | 88 | 67.2 Ų | 67.2 | 41% | 0.407 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -131.5 | 119.7 | 175.2 | -66.8 | -71.2 | 0 | 0 | 0 | 104.8 | V70 | V70-H72 PolarHBondContact O-CD2 3.48Å; V70-H72 VanDerWaalsContact O-CD2 3.31Å; V70-H72 PolarHBondContact O-N 2.9Å |
| 73 | F | 35.1 | Very low | 46.7 | Very low | 75 Ų | 75 | 68 Ų | 68 | 33% | 0.329 | 35% | 0.349 | S | S | . | . | trans | -62.2 | 160.5 | -176.3 | -63.2 | -90 | 0 | 0 | 0 | 110.7 | L90 I102 | F73-L90 HydrophobicContact CB-CD2 4.21Å; F73-L90 HydrophobicContact CD2-CD2 4.45Å; F73-I102 HydrophobicContact CB-CD1 4.03Å; F73-I102 HydrophobicContact CD1-CD1 4.42Å; F73-I102 HydrophobicContact CD1-CG2 3.7Å; F73-I102 HydrophobicContact CE1-CG2 4.02Å; F73-I102 HydrophobicContact CG-CG2 4.13Å | ||
| 74 | H | 37.5 | Very low | 46.7 | Very low | 36 Ų | 36 | 65.7 Ų | 65.7 | 17% | 0.167 | 34% | 0.341 | C | S | . | . | trans | 108.6 | 140 | 164.2 | -49.5 | -59.2 | 0 | 0 | 0 | 119.6 | M78 L90 T92 I102 | H74-M78 HydrophobicContact CB-CE 3.37Å; H74-M78 HydrophobicContact CB-CG 4.1Å; H74-M78 HydrophobicContact CB-SD 3.12Å; H74-M78 WeakPolarHBondContact CB-SD 3.44Å; H74-M78 WeakPolarHBondContact CD2-CE 3.16Å; H74-L90 WeakPolarHBondContact NE2-CD2 3.49Å; H74-L90 WeakPolarHBondContact NE2-CG 3.46Å; H74-T92 VanDerWaalsContact CD2-CG2 3.48Å; H74-T92 WeakPolarHBondContact CD2-CG2 3.44Å; H74-T92 WeakPolarHBondContact CE1-CG2 3.43Å; H74-T92 PolarHBondContact CE1-OG1 3.4Å; H74-T92 WeakPolarHBondContact ND1-CB 3.44Å; H74-T92 WeakPolarHBondContact ND1-CG2 3.19Å; H74-T92 PolarHBondContact ND1-OG1 2.83Å; H74-T92 WeakPolarHBondContact NE2-CG2 3.31Å; H74-I102 WeakPolarHBondContact CE1-CD1 3.5Å; H74-I102 WeakPolarHBondContact ND1-CD1 3.39Å | ||
| 75 | G | 31.2 | Very low | 46.5 | Very low | 40 Ų | 40 | 63 Ų | 63 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | trans | -103.1 | 171.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M78 | G75-M78 WeakPolarHBondContact O-CG 3.46Š| ||
| 76 | N | 37.4 | Very low | 46.9 | Very low | 61 Ų | 61 | 64.7 Ų | 64.7 | 33% | 0.326 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -14.1 | 129 | -173.3 | -60.2 | -9.1 | 0 | 0 | 0 | 119 | S66 S94 E96 | S66-N76 WeakPolarHBondContact CA-OD1 3.3Å; S66-N76 WeakPolarHBondContact CB-OD1 3.46Å; N76-S94 VanDerWaalsContact O-CB 3.3Å; N76-S94 WeakPolarHBondContact O-CB 3.38Å; N76-E96 HydrophobicContact CB-CG 4.27Å; N76-E96 WeakPolarHBondContact CB-OE1 3.38Å; N76-E96 PolarHBondContact ND2-OE1 3.45Å |
| 77 | G | 49.5 | Very low | 47.5 | Very low | 7 Ų | 7 | 62.5 Ų | 62.5 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 62.7 | 49.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R64 T79 S94 R95 | R64-G77 WeakPolarHBondContact O-CA 3.07Å; R64-G77 PolarHBondContact O-N 3.3Å; G77-T79 PolarHBondContact O-N 3.07Å; G77-S94 CarbonylContact O-C 3.53Å; G77-R95 WeakPolarHBondContact O-CG 3.43Å; G77-R95 PolarHBondContact O-N 2.97Å |
| 78 | M | 55 | Low | 49.4 | Very low | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 131.6 | -176.6 | -60.4 | 170.6 | 73.4 | 0 | 0 | 112.1 | R48 R63 H74 G75 V81 T92 G93 | R48-M78 WeakPolarHBondContact CB-O 3.25Å; R63-M78 PolarHBondContact O-N 2.82Å; R63-M78 VanDerWaalsContact O-N 3.15Å; H74-M78 HydrophobicContact CB-CE 3.37Å; H74-M78 HydrophobicContact CB-CG 4.1Å; H74-M78 HydrophobicContact CB-SD 3.12Å; H74-M78 WeakPolarHBondContact CB-SD 3.44Å; H74-M78 WeakPolarHBondContact CD2-CE 3.16Å; G75-M78 WeakPolarHBondContact O-CG 3.46Å; M78-V81 HydrophobicContact CE-CG2 3.28Å; M78-T92 HydrophobicContact CE-CG2 3.4Å; M78-G93 VanDerWaalsContact CA-O 3.29Å; M78-G93 WeakPolarHBondContact CA-O 3.29Å |
| 79 | T | 59.2 | Low | 51.8 | Low | 34 Ų | 34 | 51 Ų | 51 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -36.1 | 177.3 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | G77 G93 R95 S120 | G77-T79 PolarHBondContact O-N 3.07Å; T79-G93 PolarHBondContact N-O 2.94Å; T79-G93 PolarHBondContact OG1-O 2.71Å; T79-R95 HydrophobicContact CG2-CG 4.3Å; T79-S120 PolarHBondContact OG1-O 3.22Å |
| 80 | T | 59.9 | Low | 54.4 | Low | 12 Ų | 12 | 46.1 Ų | 46.1 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 150.7 | -177.7 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | T92 G93 T121 | T80-T92 WeakPolarHBondContact O-CA 3.26Å; T80-G93 PolarHBondContact O-N 3.46Å; T80-T121 WeakPolarHBondContact CG2-O 3.46Å |
| 81 | V | 60 | Low | 56.9 | Low | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 129.1 | 173.7 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | R9 A49 D51 V60 M78 L90 L91 T92 | R9-V81 PolarHBondContact NH1-O 3.34Å; A49-V81 HydrophobicContact CB-CB 4.12Å; A49-V81 HydrophobicContact CB-CG2 3.74Å; D51-V81 HydrophobicContact CB-CG1 4.17Å; V60-V81 HydrophobicContact CB-CG1 3.98Å; V60-V81 HydrophobicContact CG1-CG1 3.61Å; V60-V81 HydrophobicContact CG1-CG2 4.31Å; M78-V81 HydrophobicContact CE-CG2 3.28Å; V81-L90 HydrophobicContact CG1-CD1 3.43Å; V81-L90 VanDerWaalsContact CG1-CD1 3.43Å; V81-L90 HydrophobicContact CG1-CG 4.5Å; V81-L91 WeakPolarHBondContact CA-O 3.45Å; V81-T92 HydrophobicContact CG1-CG2 4.39Å; V81-T92 HydrophobicContact CG2-CG2 4.01Å |
| 82 | H | 69.2 | Low | 59.2 | Low | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.046 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 129.5 | 173.2 | -67.7 | -74.2 | 0 | 0 | 0 | 112.7 | R9 D51 L91 V123 L125 R238 | R9-H82 PolarHBondContact NH1-CE1 3Å; R9-H82 PolarHBondContact NH1-ND1 2.93Å; R9-H82 VanDerWaalsContact NH1-ND1 3.12Å; R9-H82 PolarHBondContact NH2-ND1 2.85Å; D51-H82 WeakPolarHBondContact OD2-CA 3.22Å; H82-L91 PolarHBondContact N-O 3.09Å; H82-L91 PolarHBondContact O-N 3.2Å; H82-V123 PolarHBondContact CD2-O 3.03Å; H82-L125 HydrophobicContact CB-CD1 3.98Å; H82-L125 HydrophobicContact CB-CG 4.31Å; H82-R238 PolarHBondContact CE1-NH1 2.87Å; H82-R238 PolarHBondContact CE1-NH2 3.47Å; H82-R238 VanDerWaalsContact CE1-NH2 3.29Å |
| 83 | F | 66 | Low | 61.2 | Low | 16 Ų | 16 | 27.7 Ų | 27.7 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 141.5 | 164.2 | -81.2 | -68.9 | 0 | 0 | 0 | 111 | D51 H53 V60 L90 I104 | D51-F83 HydrophobicContact CB-CD2 4.12Å; D51-F83 PolarHBondContact OD2-N 3.5Å; H53-F83 HydrophobicContact CB-CD1 4.4Å; H53-F83 HydrophobicContact CB-CD2 3.96Å; H53-F83 HydrophobicContact CB-CE1 4.36Å; H53-F83 HydrophobicContact CB-CE2 3.9Å; H53-F83 HydrophobicContact CB-CG 4.19Å; H53-F83 HydrophobicContact CB-CZ 4.08Å; H53-F83 AromaticContact CD2-CD1 3.71Å; H53-F83 AromaticContact CD2-CE1 3.71Å; V60-F83 HydrophobicContact CB-CE2 3.91Å; V60-F83 HydrophobicContact CB-CZ 4.18Å; V60-F83 HydrophobicContact CG2-CE1 4.33Å; V60-F83 HydrophobicContact CG2-CE2 3.47Å; V60-F83 VanDerWaalsContact CG2-CE2 3.47Å; V60-F83 HydrophobicContact CG2-CZ 3.25Å; F83-L90 HydrophobicContact CD1-CD1 4.03Å; F83-L90 HydrophobicContact CD2-CD1 4.4Å; F83-L90 HydrophobicContact CE1-CB 4.41Å; F83-L90 HydrophobicContact CE1-CD1 3.85Å; F83-L90 HydrophobicContact CE2-CD1 4.25Å; F83-L90 HydrophobicContact CG-CD1 4.32Å; F83-L90 HydrophobicContact CZ-CD1 3.99Å; F83-I104 HydrophobicContact CE1-CD1 4.19Å; F83-I104 HydrophobicContact CE1-CG2 4.01Å |
| 84 | N | 70.6 | Confident | 63.1 | Low | 8 Ų | 8 | 24.6 Ų | 24.6 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | trans | -79.4 | 138.8 | 165.1 | -174 | -30.7 | 0 | 0 | 0 | 109.9 | H86 V87 W89 L125 | N84-H86 VanDerWaalsContact C-N 3.27Å; N84-H86 PolarHBondContact O-N 3.3Å; N84-H86 PolarHBondContact OD1-N 3.43Å; N84-V87 HydrophobicContact CB-CB 4.11Å; N84-V87 WeakPolarHBondContact CB-O 3.38Å; N84-V87 WeakPolarHBondContact ND2-CG2 3.34Å; N84-V87 VanDerWaalsContact O-O 3.12Å; N84-V87 PolarHBondContact OD1-N 3.48Å; N84-W89 HydrophobicContact CB-CB 4.29Å; N84-W89 PolarHBondContact N-O 2.95Å; N84-L125 HydrophobicContact CB-CD1 3.84Å | ||
| 85 | A | 60 | Low | 64.7 | Low | 55 Ų | 55 | 28.2 Ų | 28.2 | 46% | 0.455 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -58.5 | -36.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P54 | P54-A85 WeakPolarHBondContact CG-O 3.36Š|
| 86 | H | 61.9 | Low | 66.7 | Low | 131 Ų | 131 | 30.5 Ų | 30.5 | 61% | 0.606 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -113.1 | -30.4 | -169.3 | -64 | -66.7 | 0 | 0 | 0 | 112.7 | N84 E130 | N84-H86 VanDerWaalsContact C-N 3.27Å; N84-H86 PolarHBondContact O-N 3.3Å; N84-H86 PolarHBondContact OD1-N 3.43Å; H86-E130 WeakPolarHBondContact CB-OE1 3.33Å; H86-E130 IonicContact CD2-OE1 2.66Å; H86-E130 IonicContact CG-OE1 3.34Å |
| 87 | V | 59.9 | Low | 68.8 | Low | 21 Ų | 21 | 31.1 Ų | 31.1 | 13% | 0.127 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -106 | 140.7 | -174.7 | -158.6 | 0 | 0 | 0 | 0 | 108.8 | N84 W89 E130 | N84-V87 HydrophobicContact CB-CB 4.11Å; N84-V87 WeakPolarHBondContact CB-O 3.38Å; N84-V87 WeakPolarHBondContact ND2-CG2 3.34Å; N84-V87 VanDerWaalsContact O-O 3.12Å; N84-V87 PolarHBondContact OD1-N 3.48Å; V87-W89 HydrophobicContact CB-CB 4.27Å; V87-W89 HydrophobicContact CB-CD2 4.13Å; V87-W89 HydrophobicContact CB-CG 3.95Å; V87-W89 HydrophobicContact CG1-CB 4.25Å; V87-W89 HydrophobicContact CG1-CD2 3.52Å; V87-W89 HydrophobicContact CG1-CE3 4.24Å; V87-W89 HydrophobicContact CG1-CG 3.44Å; V87-W89 VanDerWaalsContact CG1-CG 3.44Å; V87-W89 HydrophobicContact CG1-CZ2 4.34Å; V87-W89 PolarHBondContact O-N 3.44Å; V87-E130 HydrophobicContact CG2-CB 4.09Å; V87-E130 HydrophobicContact CG2-CG 3.86Å; V87-E130 WeakPolarHBondContact CG2-OE2 3.18Å |
| 88 | N | 75 | Confident | 70.5 | Confident | 31 Ų | 31 | 32.5 Ų | 32.5 | 17% | 0.166 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -68.7 | 43.6 | 175.6 | -66.7 | -36.4 | 0 | 0 | 0 | 111.6 | K56 D103 I104 R105 | K56-N88 WeakPolarHBondContact CE-OD1 3.35Å; K56-N88 VanDerWaalsContact NZ-CG 3.26Å; K56-N88 PolarHBondContact NZ-OD1 3.49Å; N88-D103 WeakPolarHBondContact CB-OD1 3.07Å; N88-D103 CarbonylContact O-C 3.57Å; N88-D103 VanDerWaalsContact O-CA 3.31Å; N88-D103 WeakPolarHBondContact O-CA 3.47Å; N88-I104 HydrophobicContact CB-CD1 4.24Å; N88-I104 HydrophobicContact CB-CG1 3.58Å; N88-I104 WeakPolarHBondContact O-CG1 3.4Å; N88-I104 PolarHBondContact O-N 3.08Å; N88-R105 HydrophobicContact CB-CG 3.93Å; N88-R105 WeakPolarHBondContact ND2-CD 3.46Å; N88-R105 WeakPolarHBondContact ND2-CG 3.22Å |
| 89 | W | 79.1 | Confident | 72 | Confident | 24 Ų | 24 | 32.1 Ų | 32.1 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 140.6 | -170.8 | -74.3 | 4.8 | 0 | 0 | 0 | 110.2 | N84 V87 L101 I102 T147 L148 | N84-W89 HydrophobicContact CB-CB 4.29Å; N84-W89 PolarHBondContact N-O 2.95Å; V87-W89 HydrophobicContact CB-CB 4.27Å; V87-W89 HydrophobicContact CB-CD2 4.13Å; V87-W89 HydrophobicContact CB-CG 3.95Å; V87-W89 HydrophobicContact CG1-CB 4.25Å; V87-W89 HydrophobicContact CG1-CD2 3.52Å; V87-W89 HydrophobicContact CG1-CE3 4.24Å; V87-W89 HydrophobicContact CG1-CG 3.44Å; V87-W89 VanDerWaalsContact CG1-CG 3.44Å; V87-W89 HydrophobicContact CG1-CZ2 4.34Å; V87-W89 PolarHBondContact O-N 3.44Å; W89-L101 HydrophobicContact CB-CD1 3.84Å; W89-L101 HydrophobicContact CD2-CD1 4.12Å; W89-L101 HydrophobicContact CD2-CD2 4.06Å; W89-L101 HydrophobicContact CD2-CG 4.2Å; W89-L101 HydrophobicContact CE3-CD1 3.77Å; W89-L101 HydrophobicContact CE3-CD2 3.56Å; W89-L101 HydrophobicContact CE3-CG 4.01Å; W89-L101 HydrophobicContact CG-CD1 4.23Å; W89-L101 HydrophobicContact CG-CG 4.5Å; W89-L101 HydrophobicContact CH2-CD2 4.1Å; W89-L101 HydrophobicContact CZ3-CD2 3.62Å; W89-I102 CarbonylContact C-O 3.48Å; W89-I102 WeakPolarHBondContact CA-O 3.06Å; W89-T147 HydrophobicContact CE3-CG2 4.5Å; W89-T147 HydrophobicContact CZ3-CG2 3.91Å; W89-T147 VanDerWaalsContact CZ3-OG1 3.26Å; W89-T147 WeakPolarHBondContact CZ3-OG1 3.39Å; W89-L148 HydrophobicContact CH2-CD2 3.71Å; W89-L148 HydrophobicContact CH2-CG 4.37Å; W89-L148 HydrophobicContact CZ2-CD2 4.18Å |
| 90 | L | 82 | Confident | 73.1 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 107.6 | -177.3 | -176 | 58.3 | 0 | 0 | 0 | 107.6 | V60 F73 H74 V81 F83 T92 L101 I102 I104 | V60-L90 HydrophobicContact CB-CD1 4.3Å; V60-L90 HydrophobicContact CG1-CD1 4.22Å; V60-L90 HydrophobicContact CG1-CD2 4.24Å; V60-L90 HydrophobicContact CG2-CD1 4.09Å; V60-L90 HydrophobicContact CG2-CD2 3.95Å; F73-L90 HydrophobicContact CB-CD2 4.21Å; F73-L90 HydrophobicContact CD2-CD2 4.45Å; H74-L90 WeakPolarHBondContact NE2-CD2 3.49Å; H74-L90 WeakPolarHBondContact NE2-CG 3.46Å; V81-L90 HydrophobicContact CG1-CD1 3.43Å; V81-L90 VanDerWaalsContact CG1-CD1 3.43Å; V81-L90 HydrophobicContact CG1-CG 4.5Å; F83-L90 HydrophobicContact CD1-CD1 4.03Å; F83-L90 HydrophobicContact CD2-CD1 4.4Å; F83-L90 HydrophobicContact CE1-CB 4.41Å; F83-L90 HydrophobicContact CE1-CD1 3.85Å; F83-L90 HydrophobicContact CE2-CD1 4.25Å; F83-L90 HydrophobicContact CG-CD1 4.32Å; F83-L90 HydrophobicContact CZ-CD1 3.99Å; L90-T92 HydrophobicContact CG-CG2 4.45Å; L90-L101 WeakPolarHBondContact O-CA 3.28Å; L90-I102 HydrophobicContact CB-CB 4.43Å; L90-I102 PolarHBondContact N-O 3.48Å; L90-I102 PolarHBondContact O-N 3.33Å; L90-I104 HydrophobicContact CB-CG2 3.91Å; L90-I104 HydrophobicContact CD2-CG2 4.14Å |
| 91 | L | 81.7 | Confident | 74.4 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.2 | -178.8 | -173.5 | 64.1 | 0 | 0 | 0 | 109.9 | V81 H82 I99 K100 L101 V123 L125 F133 | V81-L91 WeakPolarHBondContact CA-O 3.45Å; H82-L91 PolarHBondContact N-O 3.09Å; H82-L91 PolarHBondContact O-N 3.2Å; L91-I99 HydrophobicContact CD1-CG2 3.47Å; L91-I99 VanDerWaalsContact CD1-CG2 3.47Å; L91-I99 HydrophobicContact CG-CG2 4.23Å; L91-K100 CarbonylContact C-O 3.52Å; L91-L101 HydrophobicContact CB-CD1 4.09Å; L91-L101 HydrophobicContact CD1-CB 3.97Å; L91-L101 HydrophobicContact CD1-CD1 3.96Å; L91-V123 HydrophobicContact CD1-CG1 4.36Å; L91-V123 HydrophobicContact CD2-CB 4.22Å; L91-V123 HydrophobicContact CD2-CG1 3.33Å; L91-V123 HydrophobicContact CG-CG1 3.84Å; L91-L125 HydrophobicContact CB-CD1 4.34Å; L91-L125 HydrophobicContact CB-CD2 4.39Å; L91-L125 HydrophobicContact CB-CG 4.32Å; L91-L125 HydrophobicContact CD2-CD2 3.69Å; L91-L125 HydrophobicContact CD2-CG 3.82Å; L91-F133 HydrophobicContact CD1-CE1 4.46Å; L91-F133 HydrophobicContact CD1-CE2 4.2Å; L91-F133 HydrophobicContact CD1-CZ 4.15Å; L91-F133 HydrophobicContact CD2-CB 4.18Å; L91-F133 HydrophobicContact CD2-CD2 3.74Å; L91-F133 HydrophobicContact CD2-CE2 4.2Å; L91-F133 HydrophobicContact CD2-CG 3.89Å |
| 92 | T | 79.4 | Confident | 75.4 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 133.3 | -175.4 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | H74 M78 T80 V81 L90 I99 K100 | H74-T92 VanDerWaalsContact CD2-CG2 3.48Å; H74-T92 WeakPolarHBondContact CD2-CG2 3.44Å; H74-T92 WeakPolarHBondContact CE1-CG2 3.43Å; H74-T92 PolarHBondContact CE1-OG1 3.4Å; H74-T92 WeakPolarHBondContact ND1-CB 3.44Å; H74-T92 WeakPolarHBondContact ND1-CG2 3.19Å; H74-T92 PolarHBondContact ND1-OG1 2.83Å; H74-T92 WeakPolarHBondContact NE2-CG2 3.31Å; M78-T92 HydrophobicContact CE-CG2 3.4Å; T80-T92 WeakPolarHBondContact O-CA 3.26Å; V81-T92 HydrophobicContact CG1-CG2 4.39Å; V81-T92 HydrophobicContact CG2-CG2 4.01Å; L90-T92 HydrophobicContact CG-CG2 4.45Å; T92-I99 CarbonylContact O-C 3.51Å; T92-I99 VanDerWaalsContact O-CA 3.28Å; T92-I99 WeakPolarHBondContact O-CA 3.09Å; T92-K100 PolarHBondContact N-O 3.22Å; T92-K100 PolarHBondContact O-N 3.25Å; T92-K100 PolarHBondContact OG1-O 3.12Å |
| 93 | G | 76.1 | Confident | 75.9 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | M78 T79 T80 | M78-G93 VanDerWaalsContact CA-O 3.29Å; M78-G93 WeakPolarHBondContact CA-O 3.29Å; T79-G93 PolarHBondContact N-O 2.94Å; T79-G93 PolarHBondContact OG1-O 2.71Å; T80-G93 PolarHBondContact O-N 3.46Å |
| 94 | S | 73.8 | Confident | 76.5 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 158.8 | 174.9 | 73 | 0 | 0 | 0 | 0 | 112.1 | N76 G77 E96 H97 L98 | N76-S94 VanDerWaalsContact O-CB 3.3Å; N76-S94 WeakPolarHBondContact O-CB 3.38Å; G77-S94 CarbonylContact O-C 3.53Å; S94-E96 PolarHBondContact O-N 3.48Å; S94-E96 WeakPolarHBondContact OG-CB 3.33Å; S94-E96 PolarHBondContact OG-N 3.5Å; S94-H97 PolarHBondContact O-N 3.13Å; S94-L98 PolarHBondContact N-O 3.09Å; S94-L98 PolarHBondContact OG-O 3.05Å |
| 95 | R | 71.7 | Confident | 76.7 | Confident | 112 Ų | 112 | 38.7 Ų | 38.7 | 42% | 0.423 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -5.2 | 165.2 | -72.6 | 177.3 | -173.6 | -158.8 | -1.9 | 113.8 | G77 T79 H97 D119 | G77-R95 WeakPolarHBondContact O-CG 3.43Å; G77-R95 PolarHBondContact O-N 2.97Å; T79-R95 HydrophobicContact CG2-CG 4.3Å; R95-H97 PolarHBondContact O-N 3.38Å; R95-D119 VanDerWaalsContact O-OD1 3.09Å |
| 96 | E | 73.9 | Confident | 77 | Confident | 87 Ų | 87 | 42.4 Ų | 42.4 | 41% | 0.407 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 13 | 172.8 | -57.1 | -177.7 | 156.3 | 0 | 0 | 111.9 | N76 S94 L98 | N76-E96 HydrophobicContact CB-CG 4.27Å; N76-E96 WeakPolarHBondContact CB-OE1 3.38Å; N76-E96 PolarHBondContact ND2-OE1 3.45Å; S94-E96 PolarHBondContact O-N 3.48Å; S94-E96 WeakPolarHBondContact OG-CB 3.33Å; S94-E96 PolarHBondContact OG-N 3.5Å; E96-L98 HydrophobicContact CB-CD1 4.42Å; E96-L98 HydrophobicContact CB-CG 4.35Å; E96-L98 WeakPolarHBondContact O-CG 3.31Å; E96-L98 PolarHBondContact O-N 3.07Å; E96-L98 VanDerWaalsContact O-N 3.15Å |
| 97 | H | 81.1 | Confident | 77 | Confident | 74 Ų | 74 | 41.1 Ų | 41.1 | 34% | 0.343 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 62.1 | 18.1 | -176.5 | -33.9 | -47 | 0 | 0 | 0 | 113.1 | S94 R95 K118 D119 | S94-H97 PolarHBondContact O-N 3.13Å; R95-H97 PolarHBondContact O-N 3.38Å; H97-K118 WeakPolarHBondContact ND1-CA 3.44Å; H97-K118 PolarHBondContact ND1-O 2.88Å; H97-D119 IonicContact CE1-OD1 3.46Å; H97-D119 PolarHBondContact CE1-OD1 3.14Å; H97-D119 WeakPolarHBondContact ND1-CA 3.44Å; H97-D119 PolarHBondContact ND1-N 2.87Å; H97-D119 IonicContact ND1-OD1 3.15Å; H97-D119 PolarHBondContact ND1-OD1 3.14Å |
| 98 | L | 84.8 | Confident | 77.2 | Confident | 36 Ų | 36 | 45.9 Ų | 45.9 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 140.9 | -179.7 | -61.8 | 179.2 | 0 | 0 | 0 | 109.9 | S94 E96 T112 K114 | S94-L98 PolarHBondContact N-O 3.09Å; S94-L98 PolarHBondContact OG-O 3.05Å; E96-L98 HydrophobicContact CB-CD1 4.42Å; E96-L98 HydrophobicContact CB-CG 4.35Å; E96-L98 WeakPolarHBondContact O-CG 3.31Å; E96-L98 PolarHBondContact O-N 3.07Å; E96-L98 VanDerWaalsContact O-N 3.15Å; L98-T112 HydrophobicContact CB-CG2 4.47Å; L98-T112 HydrophobicContact CD1-CG2 4.39Å; L98-T112 HydrophobicContact CD2-CG2 4.05Å; L98-K114 HydrophobicContact CD2-CD 4.29Å; L98-K114 HydrophobicContact CD2-CG 3.63Å |
| 99 | I | 85.9 | Confident | 76.8 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.3 | 167.2 | -57 | 169.5 | 0 | 0 | 0 | 107.1 | L91 T92 T112 F113 V123 F133 S135 | L91-I99 HydrophobicContact CD1-CG2 3.47Å; L91-I99 VanDerWaalsContact CD1-CG2 3.47Å; L91-I99 HydrophobicContact CG-CG2 4.23Å; T92-I99 CarbonylContact O-C 3.51Å; T92-I99 VanDerWaalsContact O-CA 3.28Å; T92-I99 WeakPolarHBondContact O-CA 3.09Å; I99-T112 CarbonylContact O-C 3.59Å; I99-T112 WeakPolarHBondContact O-CA 3.16Å; I99-F113 HydrophobicContact CB-CB 4.19Å; I99-F113 HydrophobicContact CB-CD2 4.3Å; I99-F113 HydrophobicContact CG2-CD2 4.15Å; I99-F113 PolarHBondContact N-O 3.38Å; I99-F113 WeakPolarHBondContact O-CD2 3.26Å; I99-F113 PolarHBondContact O-N 3.1Å; I99-V123 HydrophobicContact CD1-CG1 4.21Å; I99-V123 HydrophobicContact CD1-CG2 3.95Å; I99-V123 HydrophobicContact CG1-CG2 4.17Å; I99-V123 HydrophobicContact CG2-CG1 4.04Å; I99-F133 HydrophobicContact CD1-CE2 4.24Å; I99-F133 HydrophobicContact CG2-CE2 3.96Å; I99-F133 HydrophobicContact CG2-CZ 4.15Å; I99-S135 WeakPolarHBondContact CD1-OG 3.31Å |
| 100 | K | 83.9 | Confident | 76.8 | Confident | 63 Ų | 63 | 53.4 Ų | 53.4 | 27% | 0.274 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.6 | 177.8 | -69.3 | -178.6 | 179.9 | 174.8 | 0 | 110.1 | L91 T92 I102 I110 F111 T112 | L91-K100 CarbonylContact C-O 3.52Å; T92-K100 PolarHBondContact N-O 3.22Å; T92-K100 PolarHBondContact O-N 3.25Å; T92-K100 PolarHBondContact OG1-O 3.12Å; K100-I102 HydrophobicContact CB-CG1 4.41Å; K100-I110 HydrophobicContact CD-CG2 4.43Å; K100-F111 VanDerWaalsContact CA-O 3.31Å; K100-F111 WeakPolarHBondContact CA-O 3.39Å; K100-T112 HydrophobicContact CG-CG2 4.48Å |
| 101 | L | 85.6 | Confident | 76.9 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.4 | 171.5 | 178.2 | 76.1 | 0 | 0 | 0 | 108.2 | W89 L90 L91 I110 F111 F113 T147 | W89-L101 HydrophobicContact CB-CD1 3.84Å; W89-L101 HydrophobicContact CD2-CD1 4.12Å; W89-L101 HydrophobicContact CD2-CD2 4.06Å; W89-L101 HydrophobicContact CD2-CG 4.2Å; W89-L101 HydrophobicContact CE3-CD1 3.77Å; W89-L101 HydrophobicContact CE3-CD2 3.56Å; W89-L101 HydrophobicContact CE3-CG 4.01Å; W89-L101 HydrophobicContact CG-CD1 4.23Å; W89-L101 HydrophobicContact CG-CG 4.5Å; W89-L101 HydrophobicContact CH2-CD2 4.1Å; W89-L101 HydrophobicContact CZ3-CD2 3.62Å; L90-L101 WeakPolarHBondContact O-CA 3.28Å; L91-L101 HydrophobicContact CB-CD1 4.09Å; L91-L101 HydrophobicContact CD1-CB 3.97Å; L91-L101 HydrophobicContact CD1-CD1 3.96Å; L101-I110 WeakPolarHBondContact O-CA 3.41Å; L101-F111 HydrophobicContact CB-CB 4.27Å; L101-F111 HydrophobicContact CD2-CD2 4.16Å; L101-F111 PolarHBondContact N-O 3.14Å; L101-F111 PolarHBondContact O-N 3.42Å; L101-F113 HydrophobicContact CB-CE2 3.61Å; L101-F113 HydrophobicContact CB-CZ 4.27Å; L101-F113 HydrophobicContact CD2-CE2 4.3Å; L101-F113 HydrophobicContact CD2-CZ 4.13Å; L101-T147 HydrophobicContact CD2-CG2 4.1Å |
| 102 | I | 81.9 | Confident | 77.1 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.8 | -170.6 | -54.7 | -172.3 | 0 | 0 | 0 | 109.3 | F73 H74 W89 L90 K100 I110 | F73-I102 HydrophobicContact CB-CD1 4.03Å; F73-I102 HydrophobicContact CD1-CD1 4.42Å; F73-I102 HydrophobicContact CD1-CG2 3.7Å; F73-I102 HydrophobicContact CE1-CG2 4.02Å; F73-I102 HydrophobicContact CG-CG2 4.13Å; H74-I102 WeakPolarHBondContact CE1-CD1 3.5Å; H74-I102 WeakPolarHBondContact ND1-CD1 3.39Å; W89-I102 CarbonylContact C-O 3.48Å; W89-I102 WeakPolarHBondContact CA-O 3.06Å; L90-I102 HydrophobicContact CB-CB 4.43Å; L90-I102 PolarHBondContact N-O 3.48Å; L90-I102 PolarHBondContact O-N 3.33Å; K100-I102 HydrophobicContact CB-CG1 4.41Å; I102-I110 HydrophobicContact CG1-CG1 4.32Å; I102-I110 HydrophobicContact CG1-CG2 4.35Å; I102-I110 HydrophobicContact CG2-CG1 4.41Å |
| 103 | D | 80.4 | Confident | 77.5 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 123.5 | 167.6 | -163.2 | -22.4 | 0 | 0 | 0 | 110 | N88 R105 K109 | N88-D103 WeakPolarHBondContact CB-OD1 3.07Å; N88-D103 CarbonylContact O-C 3.57Å; N88-D103 VanDerWaalsContact O-CA 3.31Å; N88-D103 WeakPolarHBondContact O-CA 3.47Å; D103-R105 PolarHBondContact O-N 3.3Å; D103-R105 VanDerWaalsContact OD1-CB 3.28Å; D103-R105 WeakPolarHBondContact OD1-CB 3.1Å; D103-R105 WeakPolarHBondContact OD1-CG 3.26Å; D103-R105 IonicContact OD1-CZ 3.21Å; D103-R105 PolarHBondContact OD1-N 2.98Å; D103-R105 IonicContact OD1-NE 2.85Å; D103-R105 PolarHBondContact OD1-NE 2.71Å; D103-R105 IonicContact OD1-NH2 2.76Å; D103-R105 IonicContact OD2-CZ 2.73Å; D103-R105 VanDerWaalsContact OD2-CZ 3.25Å; D103-R105 IonicContact OD2-NE 2.93Å; D103-R105 PolarHBondContact OD2-NE 3.13Å; D103-R105 IonicContact OD2-NH2 3.27Å; D103-R105 PolarHBondContact OD2-NH2 3.18Å; D103-K109 HydrophobicContact CB-CB 4.29Å; D103-K109 PolarHBondContact N-O 2.89Å |
| 104 | I | 77.3 | Confident | 78.1 | Confident | 32 Ų | 32 | 66.4 Ų | 66.4 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | trans | -78.2 | -6.2 | 178.3 | 66.2 | 166.5 | 0 | 0 | 0 | 113.2 | K56 L58 F83 N88 L90 | K56-I104 HydrophobicContact CD-CD1 4.26Å; L58-I104 HydrophobicContact CD1-CD1 3.88Å; F83-I104 HydrophobicContact CE1-CD1 4.19Å; F83-I104 HydrophobicContact CE1-CG2 4.01Å; N88-I104 HydrophobicContact CB-CD1 4.24Å; N88-I104 HydrophobicContact CB-CG1 3.58Å; N88-I104 WeakPolarHBondContact O-CG1 3.4Å; N88-I104 PolarHBondContact O-N 3.08Å; L90-I104 HydrophobicContact CB-CG2 3.91Å; L90-I104 HydrophobicContact CD2-CG2 4.14Å | ||
| 105 | R | 75 | Confident | 78.5 | Confident | 111 Ų | 111 | 67.6 Ų | 67.6 | 42% | 0.419 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -69.9 | 161.2 | 171.6 | -73.2 | 176.8 | -73.4 | -169.4 | 6.6 | 109.9 | N88 D103 I107 | N88-R105 HydrophobicContact CB-CG 3.93Å; N88-R105 WeakPolarHBondContact ND2-CD 3.46Å; N88-R105 WeakPolarHBondContact ND2-CG 3.22Å; D103-R105 PolarHBondContact O-N 3.3Å; D103-R105 VanDerWaalsContact OD1-CB 3.28Å; D103-R105 WeakPolarHBondContact OD1-CB 3.1Å; D103-R105 WeakPolarHBondContact OD1-CG 3.26Å; D103-R105 IonicContact OD1-CZ 3.21Å; D103-R105 PolarHBondContact OD1-N 2.98Å; D103-R105 IonicContact OD1-NE 2.85Å; D103-R105 PolarHBondContact OD1-NE 2.71Å; D103-R105 IonicContact OD1-NH2 2.76Å; D103-R105 IonicContact OD2-CZ 2.73Å; D103-R105 VanDerWaalsContact OD2-CZ 3.25Å; D103-R105 IonicContact OD2-NE 2.93Å; D103-R105 PolarHBondContact OD2-NE 3.13Å; D103-R105 IonicContact OD2-NH2 3.27Å; D103-R105 PolarHBondContact OD2-NH2 3.18Å; R105-I107 PolarHBondContact O-N 2.86Å |
| 106 | P | 66.9 | Low | 79.1 | Confident | 134 Ų | 134 | 62.9 Ų | 62.9 | 87% | 0.87 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -61 | 9.4 | 176.7 | 23.6 | -34.6 | 0 | 0 | 0 | 115.6 | ||
| 107 | I | 61.3 | Low | 79.6 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -106.8 | 104 | 173.5 | -56.2 | 173.5 | 0 | 0 | 0 | 106.2 | R105 K109 | R105-I107 PolarHBondContact O-N 2.86Å; I107-K109 HydrophobicContact CG2-CG 4.2Å; I107-K109 PolarHBondContact O-N 2.98Å |
| 108 | D | 64.2 | Low | 79.6 | Confident | 120 Ų | 120 | 64.7 Ų | 64.7 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | trans | -71.3 | 74 | -177.6 | -68.2 | -37 | 0 | 0 | 0 | 111.6 | ||||
| 109 | K | 67.5 | Low | 79.1 | Confident | 121 Ų | 121 | 65.6 Ų | 65.6 | 53% | 0.526 | 34% | 0.338 | S | S | . | . | trans | -88.6 | 114.9 | 165.6 | -73.1 | -174.1 | 178.9 | -174 | 0 | 108.7 | D103 I107 F111 | D103-K109 HydrophobicContact CB-CB 4.29Å; D103-K109 PolarHBondContact N-O 2.89Å; I107-K109 HydrophobicContact CG2-CG 4.2Å; I107-K109 PolarHBondContact O-N 2.98Å; K109-F111 HydrophobicContact CB-CE2 4.31Å | ||
| 110 | I | 78.9 | Confident | 78.3 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 111.1 | 174.6 | -57.1 | 175.1 | 0 | 0 | 0 | 107.4 | K100 L101 I102 | K100-I110 HydrophobicContact CD-CG2 4.43Å; L101-I110 WeakPolarHBondContact O-CA 3.41Å; I102-I110 HydrophobicContact CG1-CG1 4.32Å; I102-I110 HydrophobicContact CG1-CG2 4.35Å; I102-I110 HydrophobicContact CG2-CG1 4.41Å |
| 111 | F | 84.2 | Confident | 77.5 | Confident | 61 Ų | 61 | 63.3 Ų | 63.3 | 27% | 0.268 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 134.3 | 166.8 | -60.7 | -86.9 | 0 | 0 | 0 | 108.6 | K100 L101 K109 F113 | K100-F111 VanDerWaalsContact CA-O 3.31Å; K100-F111 WeakPolarHBondContact CA-O 3.39Å; L101-F111 HydrophobicContact CB-CB 4.27Å; L101-F111 HydrophobicContact CD2-CD2 4.16Å; L101-F111 PolarHBondContact N-O 3.14Å; L101-F111 PolarHBondContact O-N 3.42Å; K109-F111 HydrophobicContact CB-CE2 4.31Å; F111-F113 HydrophobicContact CB-CE2 3.91Å; F111-F113 HydrophobicContact CB-CZ 3.96Å |
| 112 | T | 85.8 | Confident | 76.9 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 37% | 0.368 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.7 | 176.5 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | L98 I99 K100 K114 | L98-T112 HydrophobicContact CB-CG2 4.47Å; L98-T112 HydrophobicContact CD1-CG2 4.39Å; L98-T112 HydrophobicContact CD2-CG2 4.05Å; I99-T112 CarbonylContact O-C 3.59Å; I99-T112 WeakPolarHBondContact O-CA 3.16Å; K100-T112 HydrophobicContact CG-CG2 4.48Å; T112-K114 HydrophobicContact CG2-CG 4.35Å |
| 113 | F | 87.5 | Confident | 76.9 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.6 | 177.9 | -51.3 | -95.7 | 0 | 0 | 0 | 108.9 | I99 L101 F111 F133 W145 D146 | I99-F113 HydrophobicContact CB-CB 4.19Å; I99-F113 HydrophobicContact CB-CD2 4.3Å; I99-F113 HydrophobicContact CG2-CD2 4.15Å; I99-F113 PolarHBondContact N-O 3.38Å; I99-F113 WeakPolarHBondContact O-CD2 3.26Å; I99-F113 PolarHBondContact O-N 3.1Å; L101-F113 HydrophobicContact CB-CE2 3.61Å; L101-F113 HydrophobicContact CB-CZ 4.27Å; L101-F113 HydrophobicContact CD2-CE2 4.3Å; L101-F113 HydrophobicContact CD2-CZ 4.13Å; F111-F113 HydrophobicContact CB-CE2 3.91Å; F111-F113 HydrophobicContact CB-CZ 3.96Å; F113-F133 HydrophobicContact CD1-CE1 4.13Å; F113-F133 AromaticContact CD1-CZ 3.89Å; F113-F133 HydrophobicContact CD1-CZ 3.89Å; F113-F133 HydrophobicContact CD2-CE1 4.24Å; F113-F133 AromaticContact CD2-CZ 3.7Å; F113-F133 HydrophobicContact CD2-CZ 3.7Å; F113-F133 AromaticContact CE1-CE1 3.69Å; F113-F133 HydrophobicContact CE1-CE1 3.69Å; F113-F133 AromaticContact CE1-CZ 3.92Å; F113-F133 HydrophobicContact CE1-CZ 3.92Å; F113-F133 AromaticContact CE2-CE1 3.86Å; F113-F133 HydrophobicContact CE2-CE1 3.86Å; F113-F133 AromaticContact CE2-CZ 3.79Å; F113-F133 HydrophobicContact CE2-CZ 3.79Å; F113-F133 HydrophobicContact CG-CE1 4.39Å; F113-F133 AromaticContact CG-CZ 3.78Å; F113-F133 HydrophobicContact CG-CZ 3.78Å; F113-F133 AromaticContact CZ-CE1 3.58Å; F113-F133 HydrophobicContact CZ-CE1 3.58Å; F113-F133 AromaticContact CZ-CZ 3.91Å; F113-F133 HydrophobicContact CZ-CZ 3.91Å; F113-W145 HydrophobicContact CB-CD2 4.09Å; F113-W145 HydrophobicContact CB-CE3 3.97Å; F113-W145 HydrophobicContact CB-CH2 4.15Å; F113-W145 HydrophobicContact CB-CZ2 4.23Å; F113-W145 HydrophobicContact CB-CZ3 4.01Å; F113-W145 HydrophobicContact CD1-CB 4.19Å; F113-W145 AromaticContact CD1-CD2 3.91Å; F113-W145 HydrophobicContact CD1-CD2 3.91Å; F113-W145 AromaticContact CD1-CE3 3.61Å; F113-W145 HydrophobicContact CD1-CE3 3.61Å; F113-W145 HydrophobicContact CD1-CG 4.2Å; F113-W145 HydrophobicContact CD1-CZ3 4.3Å; F113-W145 HydrophobicContact CE1-CB 4.31Å; F113-W145 HydrophobicContact CG-CD2 4.29Å; F113-W145 HydrophobicContact CG-CE3 4.21Å; F113-D146 WeakPolarHBondContact CE1-O 3.35Å |
| 114 | K | 87.9 | Confident | 76.8 | Confident | 160 Ų | 160 | 63.3 Ų | 63.3 | 70% | 0.696 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 119.7 | -179.1 | -64.3 | -176.6 | 179.2 | -178.3 | 0 | 107.6 | L98 T112 | L98-K114 HydrophobicContact CD2-CD 4.29Å; L98-K114 HydrophobicContact CD2-CG 3.63Å; T112-K114 HydrophobicContact CG2-CG 4.35Å |
| 115 | G | 83.3 | Confident | 76.9 | Confident | 37 Ų | 37 | 63 Ų | 63 | 38% | 0.381 | 33% | 0.329 | S | S | . | . | trans | -170.1 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T117 | G115-T117 PolarHBondContact O-N 3.46Š| ||
| 116 | H | 84.9 | Confident | 76.9 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 6% | 0.06 | 31% | 0.311 | C | S | . | . | trans | -62.9 | 134.8 | 174.3 | -76.9 | -57.2 | 0 | 0 | 0 | 112.2 | K118 S135 G137 D139 S141 | H116-K118 WeakPolarHBondContact CB-O 3.43Å; H116-S135 PolarHBondContact CD2-OG 3.36Å; H116-S135 VanDerWaalsContact NE2-CB 3.35Å; H116-S135 WeakPolarHBondContact NE2-CB 3.28Å; H116-S135 PolarHBondContact NE2-OG 3.21Å; H116-G137 PolarHBondContact CE1-N 3.02Å; H116-G137 VanDerWaalsContact CE1-N 3.27Å; H116-D139 VanDerWaalsContact CA-OD2 3.26Å; H116-D139 WeakPolarHBondContact CA-OD2 3.48Å; H116-D139 IonicContact CE1-OD1 3.05Å; H116-D139 IonicContact CG-OD2 3.06Å; H116-D139 IonicContact ND1-OD1 2.95Å; H116-D139 PolarHBondContact ND1-OD1 3.39Å; H116-D139 IonicContact ND1-OD2 3.73Å; H116-D139 PolarHBondContact ND1-OD2 2.81Å; H116-D139 VanDerWaalsContact ND1-OD2 3.1Å; H116-S141 PolarHBondContact CE1-OG 3.03Å; H116-S141 PolarHBondContact ND1-OG 2.75Å | ||
| 117 | T | 83.6 | Confident | 77.1 | Confident | 105 Ų | 105 | 54.3 Ų | 54.3 | 64% | 0.644 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -90.1 | -11.7 | 177.9 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | G115 D139 | G115-T117 PolarHBondContact O-N 3.46Å; T117-D139 PolarHBondContact N-OD2 2.8Å; T117-D139 WeakPolarHBondContact OG1-CB 3.32Å; T117-D139 PolarHBondContact OG1-OD2 3.33Å |
| 118 | K | 82 | Confident | 77.5 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 41% | 0.409 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -138.6 | 178.6 | 175.2 | -63 | -179.2 | -177.5 | 168.8 | 0 | 110.6 | H97 H116 S120 A138 D139 | H97-K118 WeakPolarHBondContact ND1-CA 3.44Å; H97-K118 PolarHBondContact ND1-O 2.88Å; H116-K118 WeakPolarHBondContact CB-O 3.43Å; K118-S120 PolarHBondContact O-N 2.68Å; K118-A138 HydrophobicContact CB-CB 3.92Å; K118-A138 WeakPolarHBondContact CD-O 3.35Å; K118-D139 HydrophobicContact CB-CB 4.03Å; K118-D139 HydrophobicContact CD-CB 4.3Å; K118-D139 HydrophobicContact CG-CB 4.13Å |
| 119 | D | 73.6 | Confident | 77.9 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 29% | 0.289 | 27% | 0.267 | S | S | . | . | trans | -48.6 | 127 | -175.2 | -70.8 | 5.1 | 0 | 0 | 0 | 111.9 | R95 H97 T121 G137 A138 | R95-D119 VanDerWaalsContact O-OD1 3.09Å; H97-D119 IonicContact CE1-OD1 3.46Å; H97-D119 PolarHBondContact CE1-OD1 3.14Å; H97-D119 WeakPolarHBondContact ND1-CA 3.44Å; H97-D119 PolarHBondContact ND1-N 2.87Å; H97-D119 IonicContact ND1-OD1 3.15Å; H97-D119 PolarHBondContact ND1-OD1 3.14Å; D119-T121 PolarHBondContact O-N 3.06Å; D119-G137 CarbonylContact O-C 3.45Å; D119-G137 WeakPolarHBondContact O-CA 3.4Å; D119-A138 HydrophobicContact CB-CB 4.28Å; D119-A138 WeakPolarHBondContact O-CB 3.48Å; D119-A138 PolarHBondContact O-N 3.01Å | ||
| 120 | S | 69.1 | Low | 78.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 121.5 | 167.5 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | T79 K118 V123 G136 | T79-S120 PolarHBondContact OG1-O 3.22Å; K118-S120 PolarHBondContact O-N 2.68Å; S120-V123 WeakPolarHBondContact OG-CG2 3.4Å; S120-G136 PolarHBondContact OG-O 3.45Å |
| 121 | T | 67.6 | Low | 78.1 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 10% | 0.104 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -29 | -172.9 | 50.6 | 0 | 0 | 0 | 0 | 112 | T80 D119 G136 I164 W165 | T80-T121 WeakPolarHBondContact CG2-O 3.46Å; D119-T121 PolarHBondContact O-N 3.06Å; T121-G136 PolarHBondContact N-O 3.46Å; T121-G136 VanDerWaalsContact N-O 3.08Å; T121-G136 PolarHBondContact OG1-O 3.2Å; T121-I164 WeakPolarHBondContact CB-O 3.43Å; T121-I164 PolarHBondContact OG1-O 3.16Å; T121-W165 HydrophobicContact CG2-CE3 4.31Å; T121-W165 HydrophobicContact CG2-CZ3 4.42Å |
| 122 | S | 72.7 | Confident | 77.9 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 130.8 | -175.3 | -160.2 | 0 | 0 | 0 | 0 | 111.9 | S135 G136 L167 | S122-S135 CarbonylContact O-C 3.59Å; S122-S135 WeakPolarHBondContact O-CA 3.19Å; S122-G136 PolarHBondContact N-O 3.05Å; S122-G136 PolarHBondContact O-N 2.76Å; S122-L167 PolarHBondContact OG-N 2.93Å |
| 123 | V | 81.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | trans | -142.8 | 71.6 | -175.8 | -161.7 | 0 | 0 | 0 | 0 | 111.5 | H82 L91 I99 S120 F133 V134 | H82-V123 PolarHBondContact CD2-O 3.03Å; L91-V123 HydrophobicContact CD1-CG1 4.36Å; L91-V123 HydrophobicContact CD2-CB 4.22Å; L91-V123 HydrophobicContact CD2-CG1 3.33Å; L91-V123 HydrophobicContact CG-CG1 3.84Å; I99-V123 HydrophobicContact CD1-CG1 4.21Å; I99-V123 HydrophobicContact CD1-CG2 3.95Å; I99-V123 HydrophobicContact CG1-CG2 4.17Å; I99-V123 HydrophobicContact CG2-CG1 4.04Å; S120-V123 WeakPolarHBondContact OG-CG2 3.4Å; V123-F133 HydrophobicContact CG1-CD2 3.43Å; V123-F133 VanDerWaalsContact CG1-CD2 3.43Å; V123-F133 HydrophobicContact CG1-CE2 3.61Å; V123-V134 WeakPolarHBondContact CA-O 3.33Å | ||
| 124 | P | 77.9 | Confident | 77.7 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 132.7 | 179 | 34.2 | -39.5 | 0 | 0 | 0 | 111.7 | V134 L167 W169 L176 | P124-V134 WeakPolarHBondContact CD-O 3.48Å; P124-L167 VanDerWaalsContact CD-CB 3.48Å; P124-L167 HydrophobicContact CG-CB 3.47Å; P124-L167 VanDerWaalsContact CG-CB 3.47Å; P124-W169 PolarHBondContact O-NE1 3.42Å; P124-W169 VanDerWaalsContact O-NE1 3.14Å; P124-L176 HydrophobicContact CG-CD1 4.02Å |
| 125 | L | 78.9 | Confident | 77.5 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 13% | 0.131 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -71.9 | 140.7 | 168.9 | -74.8 | 166.6 | 0 | 0 | 0 | 110.4 | H82 N84 L91 F133 | H82-L125 HydrophobicContact CB-CD1 3.98Å; H82-L125 HydrophobicContact CB-CG 4.31Å; N84-L125 HydrophobicContact CB-CD1 3.84Å; L91-L125 HydrophobicContact CB-CD1 4.34Å; L91-L125 HydrophobicContact CB-CD2 4.39Å; L91-L125 HydrophobicContact CB-CG 4.32Å; L91-L125 HydrophobicContact CD2-CD2 3.69Å; L91-L125 HydrophobicContact CD2-CG 3.82Å; L125-F133 HydrophobicContact CD2-CB 4.1Å |
| 126 | H | 75.6 | Confident | 77.4 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 5% | 0.051 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 135.6 | 175 | -176.8 | -63.7 | 0 | 0 | 0 | 110.3 | I128 Q129 V132 W169 G173 | H126-I128 PolarHBondContact ND1-N 2.98Å; H126-I128 PolarHBondContact O-N 3.09Å; H126-Q129 WeakPolarHBondContact CB-O 3.45Å; H126-Q129 PolarHBondContact CE1-N 3.36Å; H126-Q129 PolarHBondContact ND1-N 3.15Å; H126-V132 WeakPolarHBondContact CB-O 3.35Å; H126-W169 HydrophobicContact CB-CD2 4.35Å; H126-W169 HydrophobicContact CB-CZ2 4.25Å; H126-W169 AromaticContact CD2-CD2 3.97Å; H126-W169 AromaticContact CD2-CE3 3.7Å; H126-W169 AromaticContact CD2-CH2 3.81Å; H126-W169 AromaticContact CD2-CZ2 3.98Å; H126-W169 AromaticContact CD2-CZ3 3.62Å; H126-G173 VanDerWaalsContact CE1-CA 3.46Å; H126-G173 WeakPolarHBondContact CE1-CA 3.13Å; H126-G173 WeakPolarHBondContact NE2-CA 3.44Å; H126-G173 PolarHBondContact NE2-O 3.35Å |
| 127 | P | 70.9 | Confident | 77.3 | Confident | 52 Ų | 52 | 35.8 Ų | 35.8 | 34% | 0.338 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -70.5 | -29.4 | -170.9 | 25 | -34.5 | 0 | 0 | 0 | 114.4 | W169 H170 P171 | P127-W169 HydrophobicContact CG-CB 4.09Å; P127-H170 WeakPolarHBondContact CG-O 3.36Å; P127-P171 WeakPolarHBondContact CG-O 3.5Å |
| 128 | I | 69 | Low | 77.3 | Confident | 84 Ų | 84 | 31.8 Ų | 31.8 | 43% | 0.431 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -107.3 | -52.7 | -178.6 | -50.3 | 176.6 | 0 | 0 | 0 | 112.3 | H126 E130 L172 | H126-I128 PolarHBondContact ND1-N 2.98Å; H126-I128 PolarHBondContact O-N 3.09Å; I128-E130 PolarHBondContact O-N 3.49Å; I128-L172 WeakPolarHBondContact CD1-O 3.34Å |
| 129 | Q | 72.4 | Confident | 77.5 | Confident | 75 Ų | 75 | 28.4 Ų | 28.4 | 35% | 0.35 | 15% | 0.147 | S | C | . | . | trans | -82.4 | 102.4 | 179.9 | -60.1 | -175.4 | 3.6 | 0 | 0 | 112.5 | H126 K131 V132 | H126-Q129 WeakPolarHBondContact CB-O 3.45Å; H126-Q129 PolarHBondContact CE1-N 3.36Å; H126-Q129 PolarHBondContact ND1-N 3.15Å; Q129-K131 PolarHBondContact O-N 2.74Å; Q129-V132 PolarHBondContact O-N 2.74Å | ||
| 130 | E | 76 | Confident | 78 | Confident | 75 Ų | 75 | 31.1 Ų | 31.1 | 35% | 0.35 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.6 | 179.2 | -58.6 | 170.3 | -176.5 | 0 | 0 | 114.2 | H86 V87 I128 V132 T147 | H86-E130 WeakPolarHBondContact CB-OE1 3.33Å; H86-E130 IonicContact CD2-OE1 2.66Å; H86-E130 IonicContact CG-OE1 3.34Å; V87-E130 HydrophobicContact CG2-CB 4.09Å; V87-E130 HydrophobicContact CG2-CG 3.86Å; V87-E130 WeakPolarHBondContact CG2-OE2 3.18Å; I128-E130 PolarHBondContact O-N 3.49Å; E130-V132 VanDerWaalsContact C-N 3.26Å; E130-V132 PolarHBondContact O-N 2.71Å; E130-T147 WeakPolarHBondContact O-CG2 3.31Å; E130-T147 PolarHBondContact O-OG1 3.36Å |
| 131 | K | 76.5 | Confident | 78.7 | Confident | 129 Ų | 129 | 31.6 Ų | 31.6 | 56% | 0.561 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -12.8 | -177.5 | -65.3 | -172.2 | -178.6 | -176.9 | 0 | 113.1 | Q129 D146 T147 L148 | Q129-K131 PolarHBondContact O-N 2.74Å; K131-D146 CarbonylContact O-C 3.12Å; K131-D146 VanDerWaalsContact O-CA 3.31Å; K131-D146 WeakPolarHBondContact O-CA 3.25Å; K131-T147 WeakPolarHBondContact CA-OG1 3.41Å; K131-T147 PolarHBondContact O-N 3.08Å; K131-T147 PolarHBondContact O-OG1 2.86Å; K131-L148 HydrophobicContact CD-CD1 3.78Å; K131-L148 HydrophobicContact CG-CD1 3.8Å; K131-L148 HydrophobicContact CG-CG 4.46Å |
| 132 | V | 78.8 | Confident | 79.4 | Confident | 15 Ų | 15 | 31.3 Ų | 31.3 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137.9 | -170.1 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | H126 Q129 E130 C144 W145 L153 | H126-V132 WeakPolarHBondContact CB-O 3.35Å; Q129-V132 PolarHBondContact O-N 2.74Å; E130-V132 VanDerWaalsContact C-N 3.26Å; E130-V132 PolarHBondContact O-N 2.71Å; V132-C144 WeakPolarHBondContact CG1-SG 3.31Å; V132-W145 WeakPolarHBondContact CA-O 3.45Å; V132-L153 HydrophobicContact CG2-CD1 4.14Å |
| 133 | F | 85.4 | Confident | 80 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 161.6 | 163.2 | 72.3 | -83.5 | 0 | 0 | 0 | 110 | L91 I99 F113 V123 L125 W145 T147 | L91-F133 HydrophobicContact CD1-CE1 4.46Å; L91-F133 HydrophobicContact CD1-CE2 4.2Å; L91-F133 HydrophobicContact CD1-CZ 4.15Å; L91-F133 HydrophobicContact CD2-CB 4.18Å; L91-F133 HydrophobicContact CD2-CD2 3.74Å; L91-F133 HydrophobicContact CD2-CE2 4.2Å; L91-F133 HydrophobicContact CD2-CG 3.89Å; I99-F133 HydrophobicContact CD1-CE2 4.24Å; I99-F133 HydrophobicContact CG2-CE2 3.96Å; I99-F133 HydrophobicContact CG2-CZ 4.15Å; F113-F133 HydrophobicContact CD1-CE1 4.13Å; F113-F133 AromaticContact CD1-CZ 3.89Å; F113-F133 HydrophobicContact CD1-CZ 3.89Å; F113-F133 HydrophobicContact CD2-CE1 4.24Å; F113-F133 AromaticContact CD2-CZ 3.7Å; F113-F133 HydrophobicContact CD2-CZ 3.7Å; F113-F133 AromaticContact CE1-CE1 3.69Å; F113-F133 HydrophobicContact CE1-CE1 3.69Å; F113-F133 AromaticContact CE1-CZ 3.92Å; F113-F133 HydrophobicContact CE1-CZ 3.92Å; F113-F133 AromaticContact CE2-CE1 3.86Å; F113-F133 HydrophobicContact CE2-CE1 3.86Å; F113-F133 AromaticContact CE2-CZ 3.79Å; F113-F133 HydrophobicContact CE2-CZ 3.79Å; F113-F133 HydrophobicContact CG-CE1 4.39Å; F113-F133 AromaticContact CG-CZ 3.78Å; F113-F133 HydrophobicContact CG-CZ 3.78Å; F113-F133 AromaticContact CZ-CE1 3.58Å; F113-F133 HydrophobicContact CZ-CE1 3.58Å; F113-F133 AromaticContact CZ-CZ 3.91Å; F113-F133 HydrophobicContact CZ-CZ 3.91Å; V123-F133 HydrophobicContact CG1-CD2 3.43Å; V123-F133 VanDerWaalsContact CG1-CD2 3.43Å; V123-F133 HydrophobicContact CG1-CE2 3.61Å; L125-F133 HydrophobicContact CD2-CB 4.1Å; F133-W145 HydrophobicContact CD1-CB 3.71Å; F133-W145 HydrophobicContact CD1-CG 4.49Å; F133-W145 HydrophobicContact CD2-CB 4.27Å; F133-W145 AromaticContact CD2-CD1 3.72Å; F133-W145 HydrophobicContact CD2-CG 4.29Å; F133-W145 HydrophobicContact CE1-CB 3.26Å; F133-W145 AromaticContact CE1-CG 3.88Å; F133-W145 HydrophobicContact CE1-CG 3.88Å; F133-W145 HydrophobicContact CE2-CB 3.86Å; F133-W145 AromaticContact CE2-CD1 3.15Å; F133-W145 AromaticContact CE2-CG 3.61Å; F133-W145 HydrophobicContact CE2-CG 3.61Å; F133-W145 AromaticContact CE2-NE1 3.87Å; F133-W145 HydrophobicContact CG-CB 4.22Å; F133-W145 HydrophobicContact CZ-CB 3.35Å; F133-W145 AromaticContact CZ-CD1 3.47Å; F133-W145 VanDerWaalsContact CZ-CD1 3.47Å; F133-W145 HydrophobicContact CZ-CD2 4.25Å; F133-W145 AromaticContact CZ-CG 3.39Å; F133-W145 HydrophobicContact CZ-CG 3.39Å; F133-W145 PolarHBondContact N-O 3.44Å; F133-W145 PolarHBondContact O-N 2.82Å; F133-T147 HydrophobicContact CD1-CG2 3.41Å; F133-T147 VanDerWaalsContact CD1-CG2 3.41Å; F133-T147 HydrophobicContact CE1-CG2 3.88Å |
| 134 | V | 82.9 | Confident | 80.2 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 143 | 176.5 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | V123 P124 L142 I143 C144 L167 W169 L176 | V123-V134 WeakPolarHBondContact CA-O 3.33Å; P124-V134 WeakPolarHBondContact CD-O 3.48Å; V134-L142 HydrophobicContact CG1-CB 4.45Å; V134-L142 HydrophobicContact CG1-CD2 4.13Å; V134-I143 CarbonylContact C-O 2.96Å; V134-I143 VanDerWaalsContact CA-O 3.28Å; V134-I143 WeakPolarHBondContact CA-O 3.04Å; V134-C144 HydrophobicContact CG2-CB 4.2Å; V134-L167 HydrophobicContact CG1-CD1 4.2Å; V134-W169 HydrophobicContact CB-CZ2 4.12Å; V134-W169 HydrophobicContact CG2-CH2 4.07Å; V134-W169 HydrophobicContact CG2-CZ2 3.6Å; V134-L176 HydrophobicContact CB-CD2 3.78Å; V134-L176 HydrophobicContact CG1-CD2 3.5Å; V134-L176 HydrophobicContact CG2-CD2 4.03Å |
| 135 | S | 85.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 145.9 | 171.5 | 64 | 0 | 0 | 0 | 0 | 111.4 | I99 H116 S122 L142 I143 W145 | I99-S135 WeakPolarHBondContact CD1-OG 3.31Å; H116-S135 PolarHBondContact CD2-OG 3.36Å; H116-S135 VanDerWaalsContact NE2-CB 3.35Å; H116-S135 WeakPolarHBondContact NE2-CB 3.28Å; H116-S135 PolarHBondContact NE2-OG 3.21Å; S122-S135 CarbonylContact O-C 3.59Å; S122-S135 WeakPolarHBondContact O-CA 3.19Å; S135-L142 WeakPolarHBondContact O-CA 3.35Å; S135-I143 PolarHBondContact N-O 3.02Å; S135-I143 PolarHBondContact O-N 2.99Å; S135-W145 PolarHBondContact OG-NE1 2.69Å |
| 136 | G | 81 | Confident | 80.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | S120 T121 S122 | S120-G136 PolarHBondContact OG-O 3.45Å; T121-G136 PolarHBondContact N-O 3.46Å; T121-G136 VanDerWaalsContact N-O 3.08Å; T121-G136 PolarHBondContact OG1-O 3.2Å; S122-G136 PolarHBondContact N-O 3.05Å; S122-G136 PolarHBondContact O-N 2.76Å |
| 137 | G | 82.2 | Confident | 81 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 160.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | H116 D119 D139 W140 S141 I164 | H116-G137 PolarHBondContact CE1-N 3.02Å; H116-G137 VanDerWaalsContact CE1-N 3.27Å; D119-G137 CarbonylContact O-C 3.45Å; D119-G137 WeakPolarHBondContact O-CA 3.4Å; G137-D139 WeakPolarHBondContact CA-OD1 3.34Å; G137-D139 PolarHBondContact O-N 3.32Å; G137-W140 PolarHBondContact O-N 2.88Å; G137-W140 VanDerWaalsContact O-N 3.14Å; G137-S141 PolarHBondContact N-O 2.78Å; G137-I164 PolarHBondContact O-N 2.88Å |
| 138 | A | 84.2 | Confident | 81.4 | Confident | 22 Ų | 22 | 33 Ų | 33 | 18% | 0.182 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -3.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K118 D119 W140 A163 | K118-A138 HydrophobicContact CB-CB 3.92Å; K118-A138 WeakPolarHBondContact CD-O 3.35Å; D119-A138 HydrophobicContact CB-CB 4.28Å; D119-A138 WeakPolarHBondContact O-CB 3.48Å; D119-A138 PolarHBondContact O-N 3.01Å; A138-W140 PolarHBondContact O-NE1 2.98Å; A138-A163 HydrophobicContact CB-CB 4.16Å |
| 139 | D | 85.5 | Confident | 82 | Confident | 22 Ų | 22 | 31.6 Ų | 31.6 | 12% | 0.118 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 6.3 | 168.7 | 61.6 | 7 | 0 | 0 | 0 | 113.1 | H116 T117 K118 G137 S141 | H116-D139 VanDerWaalsContact CA-OD2 3.26Å; H116-D139 WeakPolarHBondContact CA-OD2 3.48Å; H116-D139 IonicContact CE1-OD1 3.05Å; H116-D139 IonicContact CG-OD2 3.06Å; H116-D139 IonicContact ND1-OD1 2.95Å; H116-D139 PolarHBondContact ND1-OD1 3.39Å; H116-D139 IonicContact ND1-OD2 3.73Å; H116-D139 PolarHBondContact ND1-OD2 2.81Å; H116-D139 VanDerWaalsContact ND1-OD2 3.1Å; T117-D139 PolarHBondContact N-OD2 2.8Å; T117-D139 WeakPolarHBondContact OG1-CB 3.32Å; T117-D139 PolarHBondContact OG1-OD2 3.33Å; K118-D139 HydrophobicContact CB-CB 4.03Å; K118-D139 HydrophobicContact CD-CB 4.3Å; K118-D139 HydrophobicContact CG-CB 4.13Å; G137-D139 WeakPolarHBondContact CA-OD1 3.34Å; G137-D139 PolarHBondContact O-N 3.32Å; D139-S141 PolarHBondContact O-N 3.02Å; D139-S141 WeakPolarHBondContact OD1-CB 3.41Å; D139-S141 PolarHBondContact OD1-N 2.87Å; D139-S141 VanDerWaalsContact OD1-N 3.16Å; D139-S141 PolarHBondContact OD1-OG 3.41Å; D139-S141 PolarHBondContact OD2-OG 3.36Å |
| 140 | W | 84.2 | Confident | 82.4 | Confident | 112 Ų | 112 | 29.2 Ų | 29.2 | 42% | 0.424 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 69.1 | 10.9 | 174.1 | -29.7 | -36.6 | 0 | 0 | 0 | 113.5 | G137 A138 A159 H160 A163 | G137-W140 PolarHBondContact O-N 2.88Å; G137-W140 VanDerWaalsContact O-N 3.14Å; A138-W140 PolarHBondContact O-NE1 2.98Å; W140-A159 PolarHBondContact O-N 3.03Å; W140-A159 VanDerWaalsContact O-N 3.09Å; W140-H160 WeakPolarHBondContact CB-O 3.15Å; W140-H160 PolarHBondContact O-N 3.34Å; W140-A163 VanDerWaalsContact CD1-N 3.31Å |
| 141 | S | 83.3 | Confident | 82.8 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | trans | -96.2 | 148.9 | 178.5 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | H116 G137 D139 I156 I164 | H116-S141 PolarHBondContact CE1-OG 3.03Å; H116-S141 PolarHBondContact ND1-OG 2.75Å; G137-S141 PolarHBondContact N-O 2.78Å; D139-S141 PolarHBondContact O-N 3.02Å; D139-S141 WeakPolarHBondContact OD1-CB 3.41Å; D139-S141 PolarHBondContact OD1-N 2.87Å; D139-S141 VanDerWaalsContact OD1-N 3.16Å; D139-S141 PolarHBondContact OD1-OG 3.41Å; D139-S141 PolarHBondContact OD2-OG 3.36Å; S141-I156 VanDerWaalsContact CA-O 3.31Å; S141-I156 WeakPolarHBondContact CA-O 3.46Å; S141-I164 VanDerWaalsContact O-CD1 3.31Å; S141-I164 WeakPolarHBondContact O-CD1 3.39Å | ||
| 142 | L | 83.6 | Confident | 83.3 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 6% | 0.058 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 129.9 | 162.2 | -68.5 | 171.8 | 0 | 0 | 0 | 108.8 | V134 S135 I156 A159 I164 L167 | V134-L142 HydrophobicContact CG1-CB 4.45Å; V134-L142 HydrophobicContact CG1-CD2 4.13Å; S135-L142 WeakPolarHBondContact O-CA 3.35Å; L142-I156 HydrophobicContact CB-CB 4.18Å; L142-I156 HydrophobicContact CB-CD1 4.47Å; L142-I156 PolarHBondContact N-O 3.09Å; L142-I156 PolarHBondContact O-N 3.33Å; L142-A159 HydrophobicContact CB-CB 4.22Å; L142-A159 HydrophobicContact CD1-CB 3.78Å; L142-A159 HydrophobicContact CG-CB 3.72Å; L142-I164 HydrophobicContact CD2-CD1 3.41Å; L142-I164 VanDerWaalsContact CD2-CD1 3.41Å; L142-I164 HydrophobicContact CG-CD1 3.63Å; L142-L167 HydrophobicContact CD2-CD1 3.75Å; L142-L167 HydrophobicContact CD2-CD2 3.46Å; L142-L167 VanDerWaalsContact CD2-CD2 3.46Å; L142-L167 HydrophobicContact CD2-CG 4.19Å |
| 143 | I | 84 | Confident | 83.4 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.4 | 176.6 | -52.5 | 178.6 | 0 | 0 | 0 | 109.3 | V134 S135 W145 E152 L155 | V134-I143 CarbonylContact C-O 2.96Å; V134-I143 VanDerWaalsContact CA-O 3.28Å; V134-I143 WeakPolarHBondContact CA-O 3.04Å; S135-I143 PolarHBondContact N-O 3.02Å; S135-I143 PolarHBondContact O-N 2.99Å; I143-W145 HydrophobicContact CB-CZ2 3.85Å; I143-W145 HydrophobicContact CD1-CH2 4.36Å; I143-W145 HydrophobicContact CD1-CZ2 3.75Å; I143-W145 HydrophobicContact CG1-CZ2 4.38Å; I143-W145 HydrophobicContact CG2-CD2 3.76Å; I143-W145 HydrophobicContact CG2-CE3 4.26Å; I143-W145 HydrophobicContact CG2-CG 4.29Å; I143-W145 HydrophobicContact CG2-CH2 3.9Å; I143-W145 HydrophobicContact CG2-CZ2 3.36Å; I143-W145 HydrophobicContact CG2-CZ3 4.32Å; I143-E152 HydrophobicContact CG2-CB 4.31Å; I143-E152 HydrophobicContact CG2-CG 3.64Å; I143-E152 VanDerWaalsContact CG2-OE1 3.27Å; I143-E152 WeakPolarHBondContact CG2-OE1 3.31Å; I143-L155 HydrophobicContact CD1-CD1 4.09Å; I143-L155 HydrophobicContact CG1-CD1 3.61Å |
| 144 | C | 85.9 | Confident | 83 | Confident | 8 Ų | 8 | 33.7 Ų | 33.7 | 5% | 0.054 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 128.5 | 170.7 | -172.6 | 0 | 0 | 0 | 0 | 109 | V132 V134 L153 T154 | V132-C144 WeakPolarHBondContact CG1-SG 3.31Å; V134-C144 HydrophobicContact CG2-CB 4.2Å; C144-L153 HydrophobicContact CB-CB 4.36Å; C144-L153 PolarHBondContact O-N 2.92Å; C144-T154 PolarHBondContact N-O 3.45Å; C144-T154 PolarHBondContact O-N 3.33Å |
| 145 | W | 84.4 | Confident | 83 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 2% | 0.023 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.1 | -173.5 | -60.4 | 96.7 | 0 | 0 | 0 | 111.3 | F113 V132 F133 S135 I143 E152 | F113-W145 HydrophobicContact CB-CD2 4.09Å; F113-W145 HydrophobicContact CB-CE3 3.97Å; F113-W145 HydrophobicContact CB-CH2 4.15Å; F113-W145 HydrophobicContact CB-CZ2 4.23Å; F113-W145 HydrophobicContact CB-CZ3 4.01Å; F113-W145 HydrophobicContact CD1-CB 4.19Å; F113-W145 AromaticContact CD1-CD2 3.91Å; F113-W145 HydrophobicContact CD1-CD2 3.91Å; F113-W145 AromaticContact CD1-CE3 3.61Å; F113-W145 HydrophobicContact CD1-CE3 3.61Å; F113-W145 HydrophobicContact CD1-CG 4.2Å; F113-W145 HydrophobicContact CD1-CZ3 4.3Å; F113-W145 HydrophobicContact CE1-CB 4.31Å; F113-W145 HydrophobicContact CG-CD2 4.29Å; F113-W145 HydrophobicContact CG-CE3 4.21Å; V132-W145 WeakPolarHBondContact CA-O 3.45Å; F133-W145 HydrophobicContact CD1-CB 3.71Å; F133-W145 HydrophobicContact CD1-CG 4.49Å; F133-W145 HydrophobicContact CD2-CB 4.27Å; F133-W145 AromaticContact CD2-CD1 3.72Å; F133-W145 HydrophobicContact CD2-CG 4.29Å; F133-W145 HydrophobicContact CE1-CB 3.26Å; F133-W145 AromaticContact CE1-CG 3.88Å; F133-W145 HydrophobicContact CE1-CG 3.88Å; F133-W145 HydrophobicContact CE2-CB 3.86Å; F133-W145 AromaticContact CE2-CD1 3.15Å; F133-W145 AromaticContact CE2-CG 3.61Å; F133-W145 HydrophobicContact CE2-CG 3.61Å; F133-W145 AromaticContact CE2-NE1 3.87Å; F133-W145 HydrophobicContact CG-CB 4.22Å; F133-W145 HydrophobicContact CZ-CB 3.35Å; F133-W145 AromaticContact CZ-CD1 3.47Å; F133-W145 VanDerWaalsContact CZ-CD1 3.47Å; F133-W145 HydrophobicContact CZ-CD2 4.25Å; F133-W145 AromaticContact CZ-CG 3.39Å; F133-W145 HydrophobicContact CZ-CG 3.39Å; F133-W145 PolarHBondContact N-O 3.44Å; F133-W145 PolarHBondContact O-N 2.82Å; S135-W145 PolarHBondContact OG-NE1 2.69Å; I143-W145 HydrophobicContact CB-CZ2 3.85Å; I143-W145 HydrophobicContact CD1-CH2 4.36Å; I143-W145 HydrophobicContact CD1-CZ2 3.75Å; I143-W145 HydrophobicContact CG1-CZ2 4.38Å; I143-W145 HydrophobicContact CG2-CD2 3.76Å; I143-W145 HydrophobicContact CG2-CE3 4.26Å; I143-W145 HydrophobicContact CG2-CG 4.29Å; I143-W145 HydrophobicContact CG2-CH2 3.9Å; I143-W145 HydrophobicContact CG2-CZ2 3.36Å; I143-W145 HydrophobicContact CG2-CZ3 4.32Å; W145-E152 HydrophobicContact CE3-CB 4.06Å; W145-E152 HydrophobicContact CH2-CB 4.43Å; W145-E152 HydrophobicContact CZ3-CB 3.79Å |
| 146 | D | 83.8 | Confident | 82.7 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.3 | 163.1 | 174.3 | 12.1 | 0 | 0 | 0 | 109.8 | F113 K131 L148 S149 G150 L151 L153 | F113-D146 WeakPolarHBondContact CE1-O 3.35Å; K131-D146 CarbonylContact O-C 3.12Å; K131-D146 VanDerWaalsContact O-CA 3.31Å; K131-D146 WeakPolarHBondContact O-CA 3.25Å; D146-L148 PolarHBondContact O-N 2.81Å; D146-L148 PolarHBondContact OD1-N 2.93Å; D146-S149 VanDerWaalsContact CB-OG 3.28Å; D146-S149 WeakPolarHBondContact CB-OG 3.37Å; D146-S149 WeakPolarHBondContact OD2-CB 3.42Å; D146-S149 PolarHBondContact OD2-N 2.97Å; D146-S149 PolarHBondContact OD2-OG 2.91Å; D146-G150 PolarHBondContact O-N 2.89Å; D146-L151 PolarHBondContact N-O 3.33Å; D146-L153 HydrophobicContact CB-CD1 3.95Å; D146-L153 HydrophobicContact CB-CD2 3.9Å; D146-L153 HydrophobicContact CB-CG 3.83Å |
| 147 | T | 81.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.7 | -177.3 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | W89 L101 E130 K131 F133 | W89-T147 HydrophobicContact CE3-CG2 4.5Å; W89-T147 HydrophobicContact CZ3-CG2 3.91Å; W89-T147 VanDerWaalsContact CZ3-OG1 3.26Å; W89-T147 WeakPolarHBondContact CZ3-OG1 3.39Å; L101-T147 HydrophobicContact CD2-CG2 4.1Å; E130-T147 WeakPolarHBondContact O-CG2 3.31Å; E130-T147 PolarHBondContact O-OG1 3.36Å; K131-T147 WeakPolarHBondContact CA-OG1 3.41Å; K131-T147 PolarHBondContact O-N 3.08Å; K131-T147 PolarHBondContact O-OG1 2.86Å; F133-T147 HydrophobicContact CD1-CG2 3.41Å; F133-T147 VanDerWaalsContact CD1-CG2 3.41Å; F133-T147 HydrophobicContact CE1-CG2 3.88Å |
| 148 | L | 79.1 | Confident | 82.2 | Confident | 88 Ų | 88 | 49.4 Ų | 49.4 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -42.1 | -175.1 | -69.5 | 173.5 | 0 | 0 | 0 | 112.4 | W89 K131 D146 | W89-L148 HydrophobicContact CH2-CD2 3.71Å; W89-L148 HydrophobicContact CH2-CG 4.37Å; W89-L148 HydrophobicContact CZ2-CD2 4.18Å; K131-L148 HydrophobicContact CD-CD1 3.78Å; K131-L148 HydrophobicContact CG-CD1 3.8Å; K131-L148 HydrophobicContact CG-CG 4.46Å; D146-L148 PolarHBondContact O-N 2.81Å; D146-L148 PolarHBondContact OD1-N 2.93Å |
| 149 | S | 80.7 | Confident | 81.6 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -21.4 | -179.9 | 63.5 | 0 | 0 | 0 | 0 | 113 | D146 L151 | D146-S149 VanDerWaalsContact CB-OG 3.28Å; D146-S149 WeakPolarHBondContact CB-OG 3.37Å; D146-S149 WeakPolarHBondContact OD2-CB 3.42Å; D146-S149 PolarHBondContact OD2-N 2.97Å; D146-S149 PolarHBondContact OD2-OG 2.91Å; S149-L151 PolarHBondContact O-N 2.96Å; S149-L151 WeakPolarHBondContact OG-CB 3.49Å; S149-L151 PolarHBondContact OG-N 3.04Å |
| 150 | G | 82 | Confident | 80.7 | Confident | 26 Ų | 26 | 48 Ų | 48 | 27% | 0.268 | 27% | 0.265 | S | S | . | . | trans | 74.1 | 7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D146 | D146-G150 PolarHBondContact O-N 2.89Š| ||
| 151 | L | 85 | Confident | 80 | Confident | 114 Ų | 114 | 48.7 Ų | 48.7 | 60% | 0.597 | 27% | 0.273 | S | S | * | . | trans | -93 | 148.6 | -176.5 | -60.7 | 175.3 | 0 | 0 | 0 | 111.1 | D146 S149 | D146-L151 PolarHBondContact N-O 3.33Å; S149-L151 PolarHBondContact O-N 2.96Å; S149-L151 WeakPolarHBondContact OG-CB 3.49Å; S149-L151 PolarHBondContact OG-N 3.04Å | ||
| 152 | E | 85.8 | Confident | 79.5 | Confident | 78 Ų | 78 | 52.2 Ų | 52.2 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 123.5 | 165.8 | 173.4 | 166 | -158.5 | 0 | 0 | 109.5 | I143 W145 L155 | I143-E152 HydrophobicContact CG2-CB 4.31Å; I143-E152 HydrophobicContact CG2-CG 3.64Å; I143-E152 VanDerWaalsContact CG2-OE1 3.27Å; I143-E152 WeakPolarHBondContact CG2-OE1 3.31Å; W145-E152 HydrophobicContact CE3-CB 4.06Å; W145-E152 HydrophobicContact CH2-CB 4.43Å; W145-E152 HydrophobicContact CZ3-CB 3.79Å; E152-L155 WeakPolarHBondContact OE1-CA 3.28Å; E152-L155 WeakPolarHBondContact OE1-CB 3.21Å; E152-L155 WeakPolarHBondContact OE1-CD1 3.19Å; E152-L155 PolarHBondContact OE1-N 2.71Å |
| 153 | L | 80.7 | Confident | 79.1 | Confident | 83 Ų | 83 | 52.5 Ų | 52.5 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -39.5 | 175.1 | -68.1 | 175.5 | 0 | 0 | 0 | 111.3 | V132 C144 D146 | V132-L153 HydrophobicContact CG2-CD1 4.14Å; C144-L153 HydrophobicContact CB-CB 4.36Å; C144-L153 PolarHBondContact O-N 2.92Å; D146-L153 HydrophobicContact CB-CD1 3.95Å; D146-L153 HydrophobicContact CB-CD2 3.9Å; D146-L153 HydrophobicContact CB-CG 3.83Å |
| 154 | T | 78.6 | Confident | 78.6 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 131.3 | -175.7 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | C144 I156 | C144-T154 PolarHBondContact N-O 3.45Å; C144-T154 PolarHBondContact O-N 3.33Å; T154-I156 HydrophobicContact CG2-CG1 4.28Å |
| 155 | L | 81.6 | Confident | 77.8 | Confident | 76 Ų | 76 | 58.3 Ų | 58.3 | 40% | 0.398 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.4 | 168.7 | -170.9 | 51.3 | 0 | 0 | 0 | 109.7 | I143 E152 E157 | I143-L155 HydrophobicContact CD1-CD1 4.09Å; I143-L155 HydrophobicContact CG1-CD1 3.61Å; E152-L155 WeakPolarHBondContact OE1-CA 3.28Å; E152-L155 WeakPolarHBondContact OE1-CB 3.21Å; E152-L155 WeakPolarHBondContact OE1-CD1 3.19Å; E152-L155 PolarHBondContact OE1-N 2.71Å; L155-E157 HydrophobicContact CD1-CG 4.23Å; L155-E157 HydrophobicContact CD2-CG 3.52Å; L155-E157 WeakPolarHBondContact CD2-OE1 3.32Å; L155-E157 HydrophobicContact CG-CG 3.59Å |
| 156 | I | 79.5 | Confident | 77 | Confident | 48 Ų | 48 | 61.2 Ų | 61.2 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 91.3 | 166.6 | -53 | 175.1 | 0 | 0 | 0 | 106.8 | S141 L142 T154 A159 L197 | S141-I156 VanDerWaalsContact CA-O 3.31Å; S141-I156 WeakPolarHBondContact CA-O 3.46Å; L142-I156 HydrophobicContact CB-CB 4.18Å; L142-I156 HydrophobicContact CB-CD1 4.47Å; L142-I156 PolarHBondContact N-O 3.09Å; L142-I156 PolarHBondContact O-N 3.33Å; T154-I156 HydrophobicContact CG2-CG1 4.28Å; I156-A159 HydrophobicContact CB-CB 4.39Å; I156-A159 HydrophobicContact CG2-CB 3.81Å; I156-L197 HydrophobicContact CD1-CD1 3.9Å |
| 157 | E | 80.6 | Confident | 76.4 | Confident | 156 Ų | 156 | 59.8 Ų | 59.8 | 73% | 0.729 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 141.4 | 172.2 | -56.4 | -170.3 | 146.3 | 0 | 0 | 110 | L155 A159 | L155-E157 HydrophobicContact CD1-CG 4.23Å; L155-E157 HydrophobicContact CD2-CG 3.52Å; L155-E157 WeakPolarHBondContact CD2-OE1 3.32Å; L155-E157 HydrophobicContact CG-CG 3.59Å; E157-A159 PolarHBondContact O-N 3.3Å |
| 158 | G | 72.5 | Confident | 75.9 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 56% | 0.557 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 32.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H160 | G158-H160 PolarHBondContact O-N 3.29Š|
| 159 | A | 70.7 | Confident | 75.2 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -58.9 | -31.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | W140 L142 I156 E157 V186 | W140-A159 PolarHBondContact O-N 3.03Å; W140-A159 VanDerWaalsContact O-N 3.09Å; L142-A159 HydrophobicContact CB-CB 4.22Å; L142-A159 HydrophobicContact CD1-CB 3.78Å; L142-A159 HydrophobicContact CG-CB 3.72Å; I156-A159 HydrophobicContact CB-CB 4.39Å; I156-A159 HydrophobicContact CG2-CB 3.81Å; E157-A159 PolarHBondContact O-N 3.3Å; A159-V186 VanDerWaalsContact O-CB 3.31Å; A159-V186 WeakPolarHBondContact O-CB 3.39Å; A159-V186 WeakPolarHBondContact O-CG1 2.93Å |
| 160 | H | 66.9 | Low | 74.3 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | trans | -133.7 | 164.1 | 170.5 | -70.1 | -83.4 | 0 | 0 | 0 | 109.5 | W140 G158 Q162 I164 S178 S180 E182 | W140-H160 WeakPolarHBondContact CB-O 3.15Å; W140-H160 PolarHBondContact O-N 3.34Å; G158-H160 PolarHBondContact O-N 3.29Å; H160-Q162 VanDerWaalsContact C-N 3.34Å; H160-Q162 WeakPolarHBondContact CB-O 3.38Å; H160-I164 HydrophobicContact CB-CG1 4.34Å; H160-S178 PolarHBondContact CE1-O 2.51Å; H160-S178 PolarHBondContact CE1-OG 3.37Å; H160-S178 VanDerWaalsContact NE2-CB 3.26Å; H160-S178 WeakPolarHBondContact NE2-CB 3.15Å; H160-S178 PolarHBondContact NE2-OG 3.14Å; H160-S180 PolarHBondContact ND1-OG 3.2Å; H160-E182 WeakPolarHBondContact CA-OE2 3.47Å; H160-E182 WeakPolarHBondContact CB-OE2 2.97Å; H160-E182 IonicContact CE1-OE1 3.56Å; H160-E182 IonicContact CG-OE1 2.8Å; H160-E182 IonicContact CG-OE2 3.63Å; H160-E182 IonicContact ND1-OE1 2.76Å; H160-E182 PolarHBondContact ND1-OE1 2.8Å; H160-E182 IonicContact ND1-OE2 3.8Å | ||
| 161 | E | 70 | Confident | 73.5 | Confident | 127 Ų | 127 | 61 Ų | 61 | 59% | 0.593 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -87.2 | -9.8 | 170.4 | -62.7 | -177.2 | 173.7 | 0 | 0 | 111.9 | E182 | E161-E182 PolarHBondContact N-OE2 2.87Š|
| 162 | Q | 72.4 | Confident | 72.2 | Confident | 83 Ų | 83 | 58 Ų | 58 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -136.2 | 173.6 | 178.3 | -65.2 | -164.4 | 22.8 | 0 | 0 | 112.6 | H160 I164 N181 E182 | H160-Q162 VanDerWaalsContact C-N 3.34Å; H160-Q162 WeakPolarHBondContact CB-O 3.38Å; Q162-I164 PolarHBondContact O-N 3.37Å; Q162-N181 PolarHBondContact NE2-O 2.83Å; Q162-N181 PolarHBondContact OE1-O 3.1Å; Q162-E182 HydrophobicContact CB-CB 4.32Å; Q162-E182 HydrophobicContact CG-CB 4.13Å |
| 163 | A | 75.1 | Confident | 71.1 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | trans | -54.7 | 129.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A138 W140 W165 S180 | A138-A163 HydrophobicContact CB-CB 4.16Å; W140-A163 VanDerWaalsContact CD1-N 3.31Å; A163-W165 HydrophobicContact CB-CZ2 3.91Å; A163-W165 PolarHBondContact O-NE1 3.26Å; A163-S180 VanDerWaalsContact O-CA 3.26Å; A163-S180 WeakPolarHBondContact O-CA 3.46Å; A163-S180 WeakPolarHBondContact O-CB 3.33Å | ||
| 164 | I | 73 | Confident | 70.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 130 | 171.4 | -48.6 | -174 | 0 | 0 | 0 | 106.2 | T121 G137 S141 L142 H160 Q162 L167 | T121-I164 WeakPolarHBondContact CB-O 3.43Å; T121-I164 PolarHBondContact OG1-O 3.16Å; G137-I164 PolarHBondContact O-N 2.88Å; S141-I164 VanDerWaalsContact O-CD1 3.31Å; S141-I164 WeakPolarHBondContact O-CD1 3.39Å; L142-I164 HydrophobicContact CD2-CD1 3.41Å; L142-I164 VanDerWaalsContact CD2-CD1 3.41Å; L142-I164 HydrophobicContact CG-CD1 3.63Å; H160-I164 HydrophobicContact CB-CG1 4.34Å; Q162-I164 PolarHBondContact O-N 3.37Å; I164-L167 HydrophobicContact CG2-CD2 4.02Å; I164-L167 HydrophobicContact CG2-CG 3.99Å |
| 165 | W | 69.8 | Low | 69.4 | Low | 131 Ų | 131 | 54 Ų | 54 | 50% | 0.496 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -32.1 | -179 | -63.5 | 106.6 | 0 | 0 | 0 | 112.2 | T121 A163 G179 N181 | T121-W165 HydrophobicContact CG2-CE3 4.31Å; T121-W165 HydrophobicContact CG2-CZ3 4.42Å; A163-W165 HydrophobicContact CB-CZ2 3.91Å; A163-W165 PolarHBondContact O-NE1 3.26Å; W165-G179 PolarHBondContact N-O 2.87Å; W165-N181 PolarHBondContact NE1-ND2 2.86Å; W165-N181 VanDerWaalsContact NE1-ND2 3.16Å; W165-N181 PolarHBondContact NE1-OD1 2.84Å |
| 166 | V | 67.2 | Low | 68.6 | Low | 67 Ų | 67 | 50.5 Ų | 50.5 | 41% | 0.406 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 138.4 | -176.4 | 65.9 | 0 | 0 | 0 | 0 | 110.2 | S178 G179 | V166-S178 WeakPolarHBondContact O-CA 3.48Å; V166-G179 PolarHBondContact N-O 3.14Å; V166-G179 PolarHBondContact O-N 3.28Å |
| 167 | L | 71.5 | Confident | 67.9 | Low | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139.4 | 167.8 | -68.7 | 170.7 | 0 | 0 | 0 | 108.4 | S122 P124 V134 L142 I164 L176 A177 | S122-L167 PolarHBondContact OG-N 2.93Å; P124-L167 VanDerWaalsContact CD-CB 3.48Å; P124-L167 HydrophobicContact CG-CB 3.47Å; P124-L167 VanDerWaalsContact CG-CB 3.47Å; V134-L167 HydrophobicContact CG1-CD1 4.2Å; L142-L167 HydrophobicContact CD2-CD1 3.75Å; L142-L167 HydrophobicContact CD2-CD2 3.46Å; L142-L167 VanDerWaalsContact CD2-CD2 3.46Å; L142-L167 HydrophobicContact CD2-CG 4.19Å; I164-L167 HydrophobicContact CG2-CD2 4.02Å; I164-L167 HydrophobicContact CG2-CG 3.99Å; L167-L176 HydrophobicContact CB-CD1 4.46Å; L167-L176 HydrophobicContact CD2-CD2 4.1Å; L167-L176 HydrophobicContact CD2-CG 4.47Å; L167-A177 VanDerWaalsContact CA-O 3.28Å; L167-A177 WeakPolarHBondContact CA-O 3.21Å |
| 168 | D | 71.2 | Confident | 67.1 | Low | 39 Ų | 39 | 42.7 Ų | 42.7 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 141.4 | 174.8 | -149.9 | 40.2 | 0 | 0 | 0 | 112.3 | L176 A177 R238 | D168-L176 WeakPolarHBondContact O-CD1 3.31Å; D168-A177 PolarHBondContact N-O 3.49Å; D168-A177 PolarHBondContact O-N 3.36Å; D168-R238 IonicContact OD1-CZ 3.67Å; D168-R238 VanDerWaalsContact OD1-CZ 3.25Å; D168-R238 IonicContact OD1-NE 2.75Å; D168-R238 PolarHBondContact OD1-NE 3.29Å; D168-R238 IonicContact OD1-NH2 3.55Å; D168-R238 PolarHBondContact OD1-NH2 3.41Å; D168-R238 WeakPolarHBondContact OD2-CG 3.06Å; D168-R238 IonicContact OD2-NE 3.94Å |
| 169 | W | 65.6 | Low | 66.7 | Low | 17 Ų | 17 | 40.4 Ų | 40.4 | 6% | 0.064 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 138.6 | 175.7 | -72.1 | 99.6 | 0 | 0 | 0 | 110.4 | P124 H126 P127 V134 G173 L176 L195 | P124-W169 PolarHBondContact O-NE1 3.42Å; P124-W169 VanDerWaalsContact O-NE1 3.14Å; H126-W169 HydrophobicContact CB-CD2 4.35Å; H126-W169 HydrophobicContact CB-CZ2 4.25Å; H126-W169 AromaticContact CD2-CD2 3.97Å; H126-W169 AromaticContact CD2-CE3 3.7Å; H126-W169 AromaticContact CD2-CH2 3.81Å; H126-W169 AromaticContact CD2-CZ2 3.98Å; H126-W169 AromaticContact CD2-CZ3 3.62Å; P127-W169 HydrophobicContact CG-CB 4.09Å; V134-W169 HydrophobicContact CB-CZ2 4.12Å; V134-W169 HydrophobicContact CG2-CH2 4.07Å; V134-W169 HydrophobicContact CG2-CZ2 3.6Å; W169-G173 WeakPolarHBondContact CZ3-O 3.28Å; W169-L176 HydrophobicContact CD2-CB 4.24Å; W169-L176 HydrophobicContact CD2-CD1 3.63Å; W169-L176 HydrophobicContact CE3-CB 3.86Å; W169-L176 HydrophobicContact CE3-CD1 4.14Å; W169-L176 HydrophobicContact CG-CD1 3.89Å; W169-L176 HydrophobicContact CH2-CB 3.85Å; W169-L176 HydrophobicContact CH2-CD1 4.29Å; W169-L176 HydrophobicContact CH2-CD2 4.46Å; W169-L176 HydrophobicContact CH2-CG 4.43Å; W169-L176 HydrophobicContact CZ2-CB 4.31Å; W169-L176 HydrophobicContact CZ2-CD1 3.9Å; W169-L176 HydrophobicContact CZ2-CD2 4.39Å; W169-L176 HydrophobicContact CZ2-CG 4.44Å; W169-L176 HydrophobicContact CZ3-CB 3.65Å; W169-L176 HydrophobicContact CZ3-CD1 4.45Å; W169-L195 HydrophobicContact CH2-CD2 3.11Å; W169-L195 HydrophobicContact CZ2-CD2 4.28Å; W169-L195 HydrophobicContact CZ3-CD2 3.32Å |
| 170 | H | 61.5 | Low | 66.5 | Low | 43 Ų | 43 | 39.9 Ų | 39.9 | 20% | 0.199 | 21% | 0.208 | C | C | . | . | trans | -57.2 | 140.3 | 159.9 | -177.3 | -87.2 | 0 | 0 | 0 | 109 | P127 L172 G173 H174 I175 | P127-H170 WeakPolarHBondContact CG-O 3.36Å; H170-L172 WeakPolarHBondContact ND1-CB 3.49Å; H170-L172 PolarHBondContact ND1-N 3.12Å; H170-L172 VanDerWaalsContact ND1-N 3.1Å; H170-L172 PolarHBondContact O-N 3.32Å; H170-G173 WeakPolarHBondContact O-CA 3.35Å; H170-G173 PolarHBondContact O-N 3.2Å; H170-H174 AromaticContact CE1-CE1 3.42Å; H170-H174 PolarHBondContact CE1-CE1 2.76Å; H170-H174 VanDerWaalsContact CE1-CE1 3.42Å; H170-H174 AromaticContact CG-CE1 3.86Å; H170-H174 AromaticContact ND1-CE1 3.14Å; H170-H174 PolarHBondContact ND1-CE1 3.27Å; H170-H174 AromaticContact ND1-ND1 3.59Å; H170-I175 HydrophobicContact CB-CB 3.78Å; H170-I175 WeakPolarHBondContact CB-O 3.33Å; H170-I175 PolarHBondContact N-O 3.23Å | ||
| 171 | P | 64.1 | Low | 66.3 | Low | 96 Ų | 96 | 42.4 Ų | 42.4 | 62% | 0.623 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -29.2 | -175.6 | -29.3 | 35.4 | 0 | 0 | 0 | 114.9 | P127 G173 | P127-P171 WeakPolarHBondContact CG-O 3.5Å; P171-G173 VanDerWaalsContact C-N 3.3Å |
| 172 | L | 58.4 | Low | 65.8 | Low | 51 Ų | 51 | 36.4 Ų | 36.4 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 3.4 | 174.8 | -63.8 | 176.6 | 0 | 0 | 0 | 114.1 | I128 H170 H174 F340 | I128-L172 WeakPolarHBondContact CD1-O 3.34Å; H170-L172 WeakPolarHBondContact ND1-CB 3.49Å; H170-L172 PolarHBondContact ND1-N 3.12Å; H170-L172 VanDerWaalsContact ND1-N 3.1Å; H170-L172 PolarHBondContact O-N 3.32Å; L172-H174 VanDerWaalsContact CB-ND1 3.26Å; L172-H174 WeakPolarHBondContact CB-ND1 3.38Å; L172-H174 PolarHBondContact O-N 3.21Å; L172-F340 HydrophobicContact CD1-CE1 4.35Å |
| 173 | G | 61.7 | Low | 64.6 | Low | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 72.7 | -14.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | H126 W169 H170 P171 I175 | H126-G173 VanDerWaalsContact CE1-CA 3.46Å; H126-G173 WeakPolarHBondContact CE1-CA 3.13Å; H126-G173 WeakPolarHBondContact NE2-CA 3.44Å; H126-G173 PolarHBondContact NE2-O 3.35Å; W169-G173 WeakPolarHBondContact CZ3-O 3.28Å; H170-G173 WeakPolarHBondContact O-CA 3.35Å; H170-G173 PolarHBondContact O-N 3.2Å; P171-G173 VanDerWaalsContact C-N 3.3Å; G173-I175 VanDerWaalsContact C-N 3.28Å; G173-I175 PolarHBondContact O-N 2.85Å |
| 174 | H | 62.6 | Low | 63 | Low | 65 Ų | 65 | 42.5 Ų | 42.5 | 30% | 0.301 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -74.1 | -15.1 | -174.8 | 63.3 | -81.9 | 0 | 0 | 0 | 114.6 | H170 L172 H196 | H170-H174 AromaticContact CE1-CE1 3.42Å; H170-H174 PolarHBondContact CE1-CE1 2.76Å; H170-H174 VanDerWaalsContact CE1-CE1 3.42Å; H170-H174 AromaticContact CG-CE1 3.86Å; H170-H174 AromaticContact ND1-CE1 3.14Å; H170-H174 PolarHBondContact ND1-CE1 3.27Å; H170-H174 AromaticContact ND1-ND1 3.59Å; L172-H174 VanDerWaalsContact CB-ND1 3.26Å; L172-H174 WeakPolarHBondContact CB-ND1 3.38Å; L172-H174 PolarHBondContact O-N 3.21Å; H174-H196 WeakPolarHBondContact O-CB 3.21Å; H174-H196 PolarHBondContact O-N 2.97Å; H174-H196 VanDerWaalsContact O-N 3.08Å; H174-H196 VanDerWaalsContact O-O 3.04Å |
| 175 | I | 62.3 | Low | 61.4 | Low | 47 Ų | 47 | 44 Ų | 44 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.9 | -179 | -66.5 | 159.8 | 0 | 0 | 0 | 110.2 | H170 G173 H196 I198 | H170-I175 HydrophobicContact CB-CB 3.78Å; H170-I175 WeakPolarHBondContact CB-O 3.33Å; H170-I175 PolarHBondContact N-O 3.23Å; G173-I175 VanDerWaalsContact C-N 3.28Å; G173-I175 PolarHBondContact O-N 2.85Å; I175-H196 WeakPolarHBondContact CA-O 3.32Å; I175-I198 HydrophobicContact CG1-CD1 4.35Å; I175-I198 HydrophobicContact CG2-CB 4.24Å |
| 176 | L | 64.1 | Low | 60 | Low | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.7 | 165.1 | -179.3 | 78.6 | 0 | 0 | 0 | 109.3 | P124 V134 L167 D168 W169 L197 I198 | P124-L176 HydrophobicContact CG-CD1 4.02Å; V134-L176 HydrophobicContact CB-CD2 3.78Å; V134-L176 HydrophobicContact CG1-CD2 3.5Å; V134-L176 HydrophobicContact CG2-CD2 4.03Å; L167-L176 HydrophobicContact CB-CD1 4.46Å; L167-L176 HydrophobicContact CD2-CD2 4.1Å; L167-L176 HydrophobicContact CD2-CG 4.47Å; D168-L176 WeakPolarHBondContact O-CD1 3.31Å; W169-L176 HydrophobicContact CD2-CB 4.24Å; W169-L176 HydrophobicContact CD2-CD1 3.63Å; W169-L176 HydrophobicContact CE3-CB 3.86Å; W169-L176 HydrophobicContact CE3-CD1 4.14Å; W169-L176 HydrophobicContact CG-CD1 3.89Å; W169-L176 HydrophobicContact CH2-CB 3.85Å; W169-L176 HydrophobicContact CH2-CD1 4.29Å; W169-L176 HydrophobicContact CH2-CD2 4.46Å; W169-L176 HydrophobicContact CH2-CG 4.43Å; W169-L176 HydrophobicContact CZ2-CB 4.31Å; W169-L176 HydrophobicContact CZ2-CD1 3.9Å; W169-L176 HydrophobicContact CZ2-CD2 4.39Å; W169-L176 HydrophobicContact CZ2-CG 4.44Å; W169-L176 HydrophobicContact CZ3-CB 3.65Å; W169-L176 HydrophobicContact CZ3-CD1 4.45Å; L176-L197 HydrophobicContact CB-CD2 3.87Å; L176-L197 HydrophobicContact CD2-CD2 3.41Å; L176-L197 VanDerWaalsContact CD2-CD2 3.41Å; L176-L197 HydrophobicContact CG-CD2 4.2Å; L176-I198 CarbonylContact O-C 3.57Å; L176-I198 VanDerWaalsContact O-C 3.28Å; L176-I198 PolarHBondContact O-N 2.81Å; L176-I198 VanDerWaalsContact O-N 3.13Å |
| 177 | A | 65.1 | Low | 58.7 | Low | 33 Ų | 33 | 38.2 Ų | 38.2 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 140.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L167 D168 I198 V200 | L167-A177 VanDerWaalsContact CA-O 3.28Å; L167-A177 WeakPolarHBondContact CA-O 3.21Å; D168-A177 PolarHBondContact N-O 3.49Å; D168-A177 PolarHBondContact O-N 3.36Å; A177-I198 WeakPolarHBondContact CA-O 3.33Å; A177-V200 HydrophobicContact CB-CB 4.2Å; A177-V200 HydrophobicContact CB-CG2 3.76Å |
| 178 | S | 64.2 | Low | 57.2 | Low | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 130.6 | 179.8 | 62 | 0 | 0 | 0 | 0 | 111.8 | H160 V166 G199 V200 | H160-S178 PolarHBondContact CE1-O 2.51Å; H160-S178 PolarHBondContact CE1-OG 3.37Å; H160-S178 VanDerWaalsContact NE2-CB 3.26Å; H160-S178 WeakPolarHBondContact NE2-CB 3.15Å; H160-S178 PolarHBondContact NE2-OG 3.14Å; V166-S178 WeakPolarHBondContact O-CA 3.48Å; S178-G199 VanDerWaalsContact OG-CA 3.22Å; S178-G199 WeakPolarHBondContact OG-CA 3.47Å; S178-V200 CarbonylContact C-O 3.58Å; S178-V200 CarbonylContact O-C 3.58Å; S178-V200 WeakPolarHBondContact O-CA 3.38Å; S178-V200 PolarHBondContact O-N 3.49Å |
| 179 | G | 63.7 | Low | 55.6 | Low | 6 Ų | 6 | 41.5 Ų | 41.5 | 6% | 0.062 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | W165 V166 V200 | W165-G179 PolarHBondContact N-O 2.87Å; V166-G179 PolarHBondContact N-O 3.14Å; V166-G179 PolarHBondContact O-N 3.28Å; G179-V200 WeakPolarHBondContact CA-O 3.37Å |
| 180 | S | 66.9 | Low | 54 | Low | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 174.9 | 178.3 | 74.3 | 0 | 0 | 0 | 0 | 111.3 | H160 A163 E182 S202 A203 | H160-S180 PolarHBondContact ND1-OG 3.2Å; A163-S180 VanDerWaalsContact O-CA 3.26Å; A163-S180 WeakPolarHBondContact O-CA 3.46Å; A163-S180 WeakPolarHBondContact O-CB 3.33Å; S180-E182 VanDerWaalsContact C-N 3.25Å; S180-E182 PolarHBondContact O-N 2.88Å; S180-E182 WeakPolarHBondContact OG-CG 3.49Å; S180-E182 PolarHBondContact OG-OE1 2.98Å; S180-E182 PolarHBondContact OG-OE2 2.84Å; S180-S202 CarbonylContact O-C 3.28Å; S180-S202 VanDerWaalsContact O-CA 3.28Å; S180-S202 WeakPolarHBondContact O-CA 3.33Å; S180-A203 PolarHBondContact O-N 3.16Å |
| 181 | N | 61.9 | Low | 52.5 | Low | 56 Ų | 56 | 49 Ų | 49 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -86 | 15.8 | 178.6 | -78.2 | 3.6 | 0 | 0 | 0 | 114 | Q162 W165 A203 | Q162-N181 PolarHBondContact NE2-O 2.83Å; Q162-N181 PolarHBondContact OE1-O 3.1Å; W165-N181 PolarHBondContact NE1-ND2 2.86Å; W165-N181 VanDerWaalsContact NE1-ND2 3.16Å; W165-N181 PolarHBondContact NE1-OD1 2.84Å; N181-A203 WeakPolarHBondContact OD1-CB 3.4Å; N181-A203 PolarHBondContact OD1-O 3.18Å |
| 182 | E | 60.1 | Low | 50.9 | Low | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | trans | -80.1 | 144.5 | 179.3 | 72.6 | -163 | 173.6 | 0 | 0 | 111.5 | H160 E161 Q162 S180 N184 S202 | H160-E182 WeakPolarHBondContact CA-OE2 3.47Å; H160-E182 WeakPolarHBondContact CB-OE2 2.97Å; H160-E182 IonicContact CE1-OE1 3.56Å; H160-E182 IonicContact CG-OE1 2.8Å; H160-E182 IonicContact CG-OE2 3.63Å; H160-E182 IonicContact ND1-OE1 2.76Å; H160-E182 PolarHBondContact ND1-OE1 2.8Å; H160-E182 IonicContact ND1-OE2 3.8Å; E161-E182 PolarHBondContact N-OE2 2.87Å; Q162-E182 HydrophobicContact CB-CB 4.32Å; Q162-E182 HydrophobicContact CG-CB 4.13Å; S180-E182 VanDerWaalsContact C-N 3.25Å; S180-E182 PolarHBondContact O-N 2.88Å; S180-E182 WeakPolarHBondContact OG-CG 3.49Å; S180-E182 PolarHBondContact OG-OE1 2.98Å; S180-E182 PolarHBondContact OG-OE2 2.84Å; E182-N184 WeakPolarHBondContact CG-O 3.17Å; E182-N184 PolarHBondContact O-N 2.85Å; E182-N184 VanDerWaalsContact O-N 3.12Å; E182-S202 WeakPolarHBondContact O-CB 3.46Å; E182-S202 PolarHBondContact O-OG 3.34Å | ||
| 183 | N | 45.4 | Very low | 49.5 | Very low | 122 Ų | 122 | 54.5 Ų | 54.5 | 65% | 0.652 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -70.4 | -3.9 | 174.9 | -74.2 | -5.5 | 0 | 0 | 0 | 113.5 | ||
| 184 | N | 43.1 | Very low | 47.8 | Very low | 105 Ų | 105 | 56.8 Ų | 56.8 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -127.4 | 111.7 | -172.3 | -78 | -19.1 | 0 | 0 | 0 | 111.9 | E182 V186 | E182-N184 WeakPolarHBondContact CG-O 3.17Å; E182-N184 PolarHBondContact O-N 2.85Å; E182-N184 VanDerWaalsContact O-N 3.12Å; N184-V186 PolarHBondContact O-N 2.92Å |
| 185 | T | 38.7 | Very low | 46.3 | Very low | 31 Ų | 31 | 54.1 Ų | 54.1 | 19% | 0.19 | 31% | 0.313 | C | S | . | . | trans | -66.3 | 117.9 | 176.4 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | Q210 | T185-Q210 HydrophobicContact CG2-CB 3.81Å; T185-Q210 HydrophobicContact CG2-CG 4.3Å; T185-Q210 PolarHBondContact OG1-OE1 3.34Å | ||
| 186 | V | 41.2 | Very low | 44.9 | Very low | 51 Ų | 51 | 56 Ų | 56 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | trans | -87.7 | 124.9 | 169.2 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | A159 N184 G199 | A159-V186 VanDerWaalsContact O-CB 3.31Å; A159-V186 WeakPolarHBondContact O-CB 3.39Å; A159-V186 WeakPolarHBondContact O-CG1 2.93Å; N184-V186 PolarHBondContact O-N 2.92Å; V186-G199 WeakPolarHBondContact O-CA 3.5Å | ||
| 187 | V | 38.5 | Very low | 43.6 | Very low | 26 Ų | 26 | 56.4 Ų | 56.4 | 16% | 0.158 | 32% | 0.323 | C | S | . | . | trans | -111.7 | 101.6 | 176.3 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | I198 V212 K214 | V187-I198 HydrophobicContact CG1-CG2 3.74Å; V187-V212 HydrophobicContact CG2-CB 3.76Å; V187-V212 HydrophobicContact CG2-CG1 3.87Å; V187-V212 HydrophobicContact CG2-CG2 4.5Å; V187-K214 HydrophobicContact CG1-CB 4.15Å; V187-K214 HydrophobicContact CG1-CD 4.46Å | ||
| 188 | G | 41.4 | Very low | 42.2 | Very low | 38 Ų | 38 | 56.8 Ų | 56.8 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | trans | -109.1 | 119.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L197 | G188-L197 CarbonylContact C-O 3.51Å; G188-L197 CarbonylContact O-C 3.46Å; G188-L197 WeakPolarHBondContact O-CB 3.43Å | ||
| 189 | S | 36.7 | Very low | 40.9 | Very low | 72 Ų | 72 | 56.8 Ų | 56.8 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | trans | -99.8 | 108.6 | 169.2 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | L197 | S189-L197 WeakPolarHBondContact CA-O 3.27Š| ||
| 190 | S | 33.3 | Very low | 39.5 | Very low | 35 Ų | 35 | 57.9 Ų | 57.9 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | trans | -100.8 | 131.4 | 159 | 60.9 | 0 | 0 | 0 | 0 | 108.5 | L192 L197 | S190-L192 PolarHBondContact O-N 2.83Å; S190-L197 WeakPolarHBondContact OG-CD1 3.28Å | ||
| 191 | K | 29.3 | Very low | 38 | Very low | 183 Ų | 183 | 58 Ų | 58 | 80% | 0.796 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 88.5 | 175.6 | -129.1 | -177.6 | -174.7 | 179.9 | 0 | 106.9 | ||
| 192 | L | 31.2 | Very low | 36.6 | Very low | 59 Ų | 59 | 56 Ų | 56 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 140.9 | 149.7 | -75.7 | 162.4 | 0 | 0 | 0 | 105.3 | S190 G194 L195 | S190-L192 PolarHBondContact O-N 2.83Å; L192-G194 PolarHBondContact O-N 3.31Å; L192-L195 HydrophobicContact CB-CB 3.97Å; L192-L195 PolarHBondContact O-N 2.64Å |
| 193 | E | 27 | Very low | 35.2 | Very low | 203 Ų | 203 | 58.4 Ų | 58.4 | 95% | 0.949 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 100.3 | -179.1 | -67.7 | -172 | 155.4 | 0 | 0 | 110.5 | ||
| 194 | G | 27.7 | Very low | 34.5 | Very low | 51 Ų | 51 | 54.5 Ų | 54.5 | 53% | 0.526 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98 | -0.3 | -179 | 0 | 0 | 0 | 0 | 0 | 117.8 | L192 | L192-G194 PolarHBondContact O-N 3.31Š|
| 195 | L | 30 | Very low | 33.8 | Very low | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 112.7 | -179 | -96.5 | 138.2 | 0 | 0 | 0 | 110 | W169 L192 | W169-L195 HydrophobicContact CH2-CD2 3.11Å; W169-L195 HydrophobicContact CZ2-CD2 4.28Å; W169-L195 HydrophobicContact CZ3-CD2 3.32Å; L192-L195 HydrophobicContact CB-CB 3.97Å; L192-L195 PolarHBondContact O-N 2.64Å |
| 196 | H | 33.7 | Very low | 33.1 | Very low | 86 Ų | 86 | 55.4 Ų | 55.4 | 40% | 0.398 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 101.9 | 172.7 | -66.2 | -89.2 | 0 | 0 | 0 | 108.8 | H174 I175 | H174-H196 WeakPolarHBondContact O-CB 3.21Å; H174-H196 PolarHBondContact O-N 2.97Å; H174-H196 VanDerWaalsContact O-N 3.08Å; H174-H196 VanDerWaalsContact O-O 3.04Å; I175-H196 WeakPolarHBondContact CA-O 3.32Å |
| 197 | L | 35.9 | Very low | 32.5 | Very low | 11 Ų | 11 | 55.6 Ų | 55.6 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 135 | 169.6 | -76.8 | 138.2 | 0 | 0 | 0 | 109.4 | I156 L176 G188 S189 S190 | I156-L197 HydrophobicContact CD1-CD1 3.9Å; L176-L197 HydrophobicContact CB-CD2 3.87Å; L176-L197 HydrophobicContact CD2-CD2 3.41Å; L176-L197 VanDerWaalsContact CD2-CD2 3.41Å; L176-L197 HydrophobicContact CG-CD2 4.2Å; G188-L197 CarbonylContact C-O 3.51Å; G188-L197 CarbonylContact O-C 3.46Å; G188-L197 WeakPolarHBondContact O-CB 3.43Å; S189-L197 WeakPolarHBondContact CA-O 3.27Å; S190-L197 WeakPolarHBondContact OG-CD1 3.28Å |
| 198 | I | 37.2 | Very low | 31.9 | Very low | 42 Ų | 42 | 56.6 Ų | 56.6 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | trans | -143.8 | 99.7 | 172.4 | -58.1 | -177.3 | 0 | 0 | 0 | 107.4 | I175 L176 A177 V187 | I175-I198 HydrophobicContact CG1-CD1 4.35Å; I175-I198 HydrophobicContact CG2-CB 4.24Å; L176-I198 CarbonylContact O-C 3.57Å; L176-I198 VanDerWaalsContact O-C 3.28Å; L176-I198 PolarHBondContact O-N 2.81Å; L176-I198 VanDerWaalsContact O-N 3.13Å; A177-I198 WeakPolarHBondContact CA-O 3.33Å; V187-I198 HydrophobicContact CG1-CG2 3.74Å | ||
| 199 | G | 36.4 | Very low | 31.3 | Very low | 6 Ų | 6 | 58.6 Ų | 58.6 | 6% | 0.062 | 35% | 0.347 | C | S | . | . | trans | -64.6 | 146.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | S178 V186 | S178-G199 VanDerWaalsContact OG-CA 3.22Å; S178-G199 WeakPolarHBondContact OG-CA 3.47Å; V186-G199 WeakPolarHBondContact O-CA 3.5Å | ||
| 200 | V | 34.6 | Very low | 30.9 | Very low | 28 Ų | 28 | 56.8 Ų | 56.8 | 17% | 0.17 | 33% | 0.331 | C | S | . | . | trans | -141.1 | 91.6 | -177.6 | -168.8 | 0 | 0 | 0 | 0 | 108.8 | A177 S178 G179 M209 Q210 | A177-V200 HydrophobicContact CB-CB 4.2Å; A177-V200 HydrophobicContact CB-CG2 3.76Å; S178-V200 CarbonylContact C-O 3.58Å; S178-V200 CarbonylContact O-C 3.58Å; S178-V200 WeakPolarHBondContact O-CA 3.38Å; S178-V200 PolarHBondContact O-N 3.49Å; G179-V200 WeakPolarHBondContact CA-O 3.37Å; V200-M209 HydrophobicContact CG1-CE 4.5Å; V200-M209 HydrophobicContact CG1-CG 4.32Å; V200-Q210 WeakPolarHBondContact CG1-O 3.16Å | ||
| 201 | G | 34.2 | Very low | 30.7 | Very low | 4 Ų | 4 | 57.9 Ų | 57.9 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | trans | -71 | -178.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 202 | S | 33.6 | Very low | 30.8 | Very low | 14 Ų | 14 | 49.7 Ų | 49.7 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | cis | -139 | 147.2 | 0.9 | 155.4 | 0 | 0 | 0 | 0 | 107.2 | S180 E182 D204 Q208 | S180-S202 CarbonylContact O-C 3.28Å; S180-S202 VanDerWaalsContact O-CA 3.28Å; S180-S202 WeakPolarHBondContact O-CA 3.33Å; E182-S202 WeakPolarHBondContact O-CB 3.46Å; E182-S202 PolarHBondContact O-OG 3.34Å; S202-D204 PolarHBondContact OG-N 2.79Å; S202-D204 PolarHBondContact OG-OD1 3.2Å; S202-Q208 PolarHBondContact N-O 2.85Å | ||
| 203 | A | 31.2 | Very low | 30.6 | Very low | 52 Ų | 52 | 53 Ų | 53 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | trans | -109.1 | 61.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S180 N181 | S180-A203 PolarHBondContact O-N 3.16Å; N181-A203 WeakPolarHBondContact OD1-CB 3.4Å; N181-A203 PolarHBondContact OD1-O 3.18Å | ||
| 204 | D | 29.2 | Very low | 30.7 | Very low | 39 Ų | 39 | 49 Ų | 49 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -66.7 | 158.9 | 152.8 | 49.3 | -37.3 | 0 | 0 | 0 | 109.4 | S202 C206 G207 Q208 | S202-D204 PolarHBondContact OG-N 2.79Å; S202-D204 PolarHBondContact OG-OD1 3.2Å; D204-C206 PolarHBondContact O-N 3.25Å; D204-G207 PolarHBondContact O-N 2.64Å; D204-Q208 PolarHBondContact OD2-NE2 3.18Å |
| 205 | S | 28.1 | Very low | 30.7 | Very low | 94 Ų | 94 | 53.4 Ų | 53.4 | 66% | 0.657 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 19.1 | -178.6 | 42 | 0 | 0 | 0 | 0 | 114.5 | G230 | S205-G230 WeakPolarHBondContact O-CA 3.48Š|
| 206 | C | 25.9 | Very low | 30.6 | Very low | 62 Ų | 62 | 57 Ų | 57 | 42% | 0.419 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.5 | 40.5 | -178.4 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | D204 Q208 | D204-C206 PolarHBondContact O-N 3.25Å; C206-Q208 WeakPolarHBondContact O-CG 3.22Å; C206-Q208 PolarHBondContact O-N 3.27Å; C206-Q208 VanDerWaalsContact O-N 3.07Å |
| 207 | G | 26.7 | Very low | 30.4 | Very low | 54 Ų | 54 | 62.2 Ų | 62.2 | 56% | 0.557 | 36% | 0.363 | S | S | * | . | trans | 35.8 | 60.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | D204 | D204-G207 PolarHBondContact O-N 2.64Š| ||
| 208 | Q | 27.3 | Very low | 30.1 | Very low | 48 Ų | 48 | 71.7 Ų | 71.7 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | trans | -95.9 | 110.6 | 177.2 | -64 | -167.2 | 35.4 | 0 | 0 | 111.3 | S202 D204 C206 | S202-Q208 PolarHBondContact N-O 2.85Å; D204-Q208 PolarHBondContact OD2-NE2 3.18Å; C206-Q208 WeakPolarHBondContact O-CG 3.22Å; C206-Q208 PolarHBondContact O-N 3.27Å; C206-Q208 VanDerWaalsContact O-N 3.07Å | ||
| 209 | M | 28.6 | Very low | 29.7 | Very low | 79 Ų | 79 | 74.9 Ų | 74.9 | 39% | 0.389 | 42% | 0.422 | S | S | . | . | trans | -103.4 | 113.4 | 166.8 | -170.8 | 176.9 | -179.7 | 0 | 0 | 108.4 | V200 V237 A240 | V200-M209 HydrophobicContact CG1-CE 4.5Å; V200-M209 HydrophobicContact CG1-CG 4.32Å; M209-V237 HydrophobicContact SD-CG1 4.11Å; M209-A240 HydrophobicContact CE-CB 4.2Å | ||
| 210 | Q | 28.5 | Very low | 29.3 | Very low | 35 Ų | 35 | 78.9 Ų | 78.9 | 16% | 0.164 | 45% | 0.445 | C | S | . | . | trans | -109 | 117.3 | 177.7 | -65.1 | -174 | 5.7 | 0 | 0 | 110.7 | T185 V200 L221 | T185-Q210 HydrophobicContact CG2-CB 3.81Å; T185-Q210 HydrophobicContact CG2-CG 4.3Å; T185-Q210 PolarHBondContact OG1-OE1 3.34Å; V200-Q210 WeakPolarHBondContact CG1-O 3.16Å; Q210-L221 HydrophobicContact CB-CD1 4.48Å; Q210-L221 HydrophobicContact CG-CD1 4.31Å | ||
| 211 | V | 29.3 | Very low | 29.1 | Very low | 57 Ų | 57 | 81.9 Ų | 81.9 | 35% | 0.345 | 46% | 0.46 | S | S | . | . | trans | -89.8 | 115.1 | 172.7 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 212 | V | 30.3 | Very low | 28.7 | Very low | 12 Ų | 12 | 84.5 Ų | 84.5 | 7% | 0.073 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.2 | 175.9 | 178.2 | 0 | 0 | 0 | 0 | 108.3 | V187 P219 | V187-V212 HydrophobicContact CG2-CB 3.76Å; V187-V212 HydrophobicContact CG2-CG1 3.87Å; V187-V212 HydrophobicContact CG2-CG2 4.5Å; V212-P219 HydrophobicContact CG1-CB 4.27Å |
| 213 | M | 27.8 | Very low | 28.4 | Very low | 129 Ų | 129 | 88.4 Ų | 88.4 | 64% | 0.635 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.2 | 169.4 | -65.6 | -159.5 | -63.2 | 0 | 0 | 108.9 | L222 | M213-L222 HydrophobicContact CB-CD1 4.02Å; M213-L222 HydrophobicContact CE-CD1 3.74Å; M213-L222 HydrophobicContact CG-CD1 3.9Å |
| 214 | K | 28.7 | Very low | 28.2 | Very low | 119 Ų | 119 | 90.8 Ų | 90.8 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | trans | -100.1 | 100 | 175.2 | -164.4 | 178.6 | -173 | 176.7 | 0 | 108.9 | V187 | V187-K214 HydrophobicContact CG1-CB 4.15Å; V187-K214 HydrophobicContact CG1-CD 4.46Å | ||
| 215 | D | 28.6 | Very low | 28 | Very low | 142 Ų | 142 | 94 Ų | 94 | 76% | 0.759 | 50% | 0.503 | S | S | * | . | trans | -98.3 | 157.1 | 150 | -143.9 | -11.7 | 0 | 0 | 0 | 107.9 | ||||
| 216 | A | 27.6 | Very low | 27.9 | Very low | 85 Ų | 85 | 94.7 Ų | 94.7 | 70% | 0.702 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 143 | -161.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R218 | A216-R218 PolarHBondContact O-N 3.2Š|
| 217 | E | 29.9 | Very low | 28 | Very low | 194 Ų | 194 | 95 Ų | 95 | 91% | 0.907 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | -26 | 165.2 | -56.2 | -166.8 | 164.3 | 0 | 0 | 121.1 | ||
| 218 | R | 29.6 | Very low | 28 | Very low | 210 Ų | 210 | 98.1 Ų | 98.1 | 79% | 0.792 | 52% | 0.516 | S | S | * | . | trans | -151.2 | 133.3 | 170.1 | -71.9 | -170.7 | 176 | 178 | -2.2 | 113.8 | A216 V220 | A216-R218 PolarHBondContact O-N 3.2Å; R218-V220 PolarHBondContact O-N 3.16Å | ||
| 219 | P | 28.4 | Very low | 28 | Very low | 109 Ų | 109 | 104.3 Ų | 104.3 | 71% | 0.708 | 54% | 0.542 | S | S | * | . | trans | -66.8 | 132.8 | 172.6 | 27.7 | -31.8 | 0 | 0 | 0 | 110.5 | V212 | V212-P219 HydrophobicContact CG1-CB 4.27Š| ||
| 220 | V | 27.6 | Very low | 27.9 | Very low | 91 Ų | 91 | 103.8 Ų | 103.8 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 122.9 | 171.7 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | R218 L222 | R218-V220 PolarHBondContact O-N 3.16Å; V220-L222 PolarHBondContact O-N 3.14Å |
| 221 | L | 29.4 | Very low | 27.8 | Very low | 91 Ų | 91 | 104 Ų | 104 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.5 | 111.1 | 172.9 | 179.3 | 74.3 | 0 | 0 | 0 | 108.8 | Q210 | Q210-L221 HydrophobicContact CB-CD1 4.48Å; Q210-L221 HydrophobicContact CG-CD1 4.31Å |
| 222 | L | 25.9 | Very low | 27.6 | Very low | 59 Ų | 59 | 110.5 Ų | 110.5 | 31% | 0.309 | 60% | 0.595 | S | S | . | * | trans | -83.7 | -30 | -173.9 | -72.8 | 166.3 | 0 | 0 | 0 | 113.8 | M213 V220 | M213-L222 HydrophobicContact CB-CD1 4.02Å; M213-L222 HydrophobicContact CE-CD1 3.74Å; M213-L222 HydrophobicContact CG-CD1 3.9Å; V220-L222 PolarHBondContact O-N 3.14Å | ||
| 223 | R | 26.9 | Very low | 27.4 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 36% | 0.358 | 63% | 0.628 | S | S | . | * | trans | -170.1 | 140.5 | 167.3 | -166.5 | 154.9 | 163.1 | 157.3 | -11.9 | 111.6 | I225 D279 R282 | R223-I225 HydrophobicContact CG-CG1 4.42Å; R223-D279 IonicContact CZ-OD2 2.92Å; R223-D279 IonicContact NH1-OD1 3.17Å; R223-D279 IonicContact NH1-OD2 3.72Å; R223-D279 PolarHBondContact NH1-OD2 3.1Å; R223-D279 IonicContact NH2-OD1 2.97Å; R223-D279 IonicContact NH2-OD2 3.83Å; R223-D279 PolarHBondContact NH2-OD2 3.44Å; R223-R282 VanDerWaalsContact CD-NH1 3.35Å; R223-R282 VanDerWaalsContact CZ-CZ 3.47Å | ||
| 224 | Q | 27.4 | Very low | 27.3 | Very low | 102 Ų | 102 | 116.6 Ų | 116.6 | 48% | 0.477 | 63% | 0.63 | S | S | . | * | trans | -98.8 | 128.6 | 169.3 | -178.2 | 177.3 | -7.5 | 0 | 0 | 109.3 | N226 | Q224-N226 WeakPolarHBondContact CG-OD1 3.46Å; Q224-N226 PolarHBondContact NE2-ND2 3.17Å; Q224-N226 PolarHBondContact NE2-OD1 2.94Å | ||
| 225 | I | 26.2 | Very low | 27.1 | Very low | 107 Ų | 107 | 114.1 Ų | 114.1 | 55% | 0.549 | 63% | 0.632 | S | S | . | * | trans | -119.2 | 110.3 | 171.4 | -56.4 | 176.3 | 0 | 0 | 0 | 107.2 | R223 | R223-I225 HydrophobicContact CG-CG1 4.42Š| ||
| 226 | N | 25.9 | Very low | 27.1 | Very low | 109 Ų | 109 | 111.6 Ų | 111.6 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | trans | -90.7 | 128.4 | 178.8 | -66.9 | -24.7 | 0 | 0 | 0 | 110.1 | Q224 | Q224-N226 WeakPolarHBondContact CG-OD1 3.46Å; Q224-N226 PolarHBondContact NE2-ND2 3.17Å; Q224-N226 PolarHBondContact NE2-OD1 2.94Å | ||
| 227 | S | 28 | Very low | 27 | Very low | 69 Ų | 69 | 111.9 Ų | 111.9 | 48% | 0.483 | 61% | 0.605 | S | S | . | * | trans | -101.4 | 123.7 | 165.1 | 175.3 | 0 | 0 | 0 | 0 | 109.5 | K229 | S227-K229 PolarHBondContact O-N 2.69Š| ||
| 228 | S | 26.5 | Very low | 27 | Very low | 119 Ų | 119 | 108 Ų | 108 | 83% | 0.832 | 58% | 0.582 | S | S | * | * | trans | -91.5 | 22.6 | -169.5 | 69 | 0 | 0 | 0 | 0 | 115 | ||||
| 229 | K | 27.8 | Very low | 26.9 | Very low | 178 Ų | 178 | 103.3 Ų | 103.3 | 77% | 0.774 | 57% | 0.573 | S | S | * | * | trans | -130.4 | 105.2 | -178.7 | -71.2 | -170.5 | 178.3 | -177.9 | 0 | 111.9 | S227 G231 | S227-K229 PolarHBondContact O-N 2.69Å; K229-G231 PolarHBondContact O-N 3.39Å | ||
| 230 | G | 25.6 | Very low | 26.8 | Very low | 67 Ų | 67 | 101.1 Ų | 101.1 | 69% | 0.691 | 56% | 0.564 | S | S | * | * | trans | -65.5 | 120.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S205 | S205-G230 WeakPolarHBondContact O-CA 3.48Š| ||
| 231 | G | 25.9 | Very low | 26.7 | Very low | 41 Ų | 41 | 104.4 Ų | 104.4 | 42% | 0.423 | 57% | 0.571 | S | S | . | * | trans | -165.4 | 130.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | K229 W233 | K229-G231 PolarHBondContact O-N 3.39Å; G231-W233 VanDerWaalsContact O-CD1 3.24Å; G231-W233 PolarHBondContact O-N 2.77Å | ||
| 232 | H | 25.2 | Very low | 26.7 | Very low | 192 Ų | 192 | 104.3 Ų | 104.3 | 89% | 0.889 | 57% | 0.57 | S | S | * | * | trans | -60.7 | 105.8 | 179.8 | -71.9 | -67.3 | 0 | 0 | 0 | 110.9 | ||||
| 233 | W | 26.2 | Very low | 26.8 | Very low | 202 Ų | 202 | 104.4 Ų | 104.4 | 77% | 0.765 | 57% | 0.569 | S | S | * | * | trans | -132.7 | 85.2 | 170.4 | -64.6 | 98.8 | 0 | 0 | 0 | 109 | G231 Y236 | G231-W233 VanDerWaalsContact O-CD1 3.24Å; G231-W233 PolarHBondContact O-N 2.77Å; W233-Y236 HydrophobicContact CE3-CD2 4.26Å; W233-Y236 HydrophobicContact CE3-CE2 4.38Å | ||
| 234 | G | 25.2 | Very low | 27.1 | Very low | 67 Ų | 67 | 105.8 Ų | 105.8 | 69% | 0.691 | 58% | 0.575 | S | S | * | * | trans | -77.1 | 132.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 235 | A | 25.9 | Very low | 27.3 | Very low | 67 Ų | 67 | 104.5 Ų | 104.5 | 55% | 0.554 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 76.3 | 54.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 236 | Y | 27.4 | Very low | 27.7 | Very low | 90 Ų | 90 | 101.1 Ų | 101.1 | 35% | 0.353 | 56% | 0.555 | S | S | . | * | trans | -146.9 | 67.5 | 165.1 | -70.7 | -76.1 | 0 | 0 | 0 | 114.6 | I5 Y7 C8 W233 | I5-Y236 PolarHBondContact O-OH 3.27Å; Y7-Y236 VanDerWaalsContact C-OH 3.3Å; Y7-Y236 WeakPolarHBondContact CA-OH 3.46Å; Y7-Y236 PolarHBondContact N-OH 2.87Å; C8-Y236 HydrophobicContact CB-CE1 3.95Å; C8-Y236 PolarHBondContact N-OH 3.21Å; C8-Y236 VanDerWaalsContact SG-CE1 3.51Å; W233-Y236 HydrophobicContact CE3-CD2 4.26Å; W233-Y236 HydrophobicContact CE3-CE2 4.38Å | ||
| 237 | V | 26.8 | Very low | 28.1 | Very low | 91 Ų | 91 | 103 Ų | 103 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | trans | -142.3 | 85.9 | 159.7 | -170.3 | 0 | 0 | 0 | 0 | 109.4 | M209 | M209-V237 HydrophobicContact SD-CG1 4.11Š| ||
| 238 | R | 29.8 | Very low | 28.6 | Very low | 111 Ų | 111 | 107.6 Ų | 107.6 | 42% | 0.419 | 58% | 0.579 | S | S | . | * | trans | -111.8 | 10.2 | 167.4 | -95.3 | -164.6 | 168.7 | 167 | 2 | 114 | H82 D168 | H82-R238 PolarHBondContact CE1-NH1 2.87Å; H82-R238 PolarHBondContact CE1-NH2 3.47Å; H82-R238 VanDerWaalsContact CE1-NH2 3.29Å; D168-R238 IonicContact OD1-CZ 3.67Å; D168-R238 VanDerWaalsContact OD1-CZ 3.25Å; D168-R238 IonicContact OD1-NE 2.75Å; D168-R238 PolarHBondContact OD1-NE 3.29Å; D168-R238 IonicContact OD1-NH2 3.55Å; D168-R238 PolarHBondContact OD1-NH2 3.41Å; D168-R238 WeakPolarHBondContact OD2-CG 3.06Å; D168-R238 IonicContact OD2-NE 3.94Å | ||
| 239 | N | 26.5 | Very low | 29.5 | Very low | 113 Ų | 113 | 103.9 Ų | 103.9 | 60% | 0.604 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -106.1 | 71.6 | 160.7 | -73.1 | -35.6 | 0 | 0 | 0 | 107.3 | F241 | N239-F241 WeakPolarHBondContact O-CD2 3.37Å; N239-F241 PolarHBondContact O-N 3.41Å; N239-F241 VanDerWaalsContact O-N 3.13Å |
| 240 | A | 27 | Very low | 30.3 | Very low | 62 Ų | 62 | 100.4 Ų | 100.4 | 51% | 0.512 | 54% | 0.542 | S | S | . | . | trans | -64.1 | 113.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | M209 I242 | M209-A240 HydrophobicContact CE-CB 4.2Å; A240-I242 PolarHBondContact O-N 3.2Å | ||
| 241 | F | 25.9 | Very low | 31.2 | Very low | 160 Ų | 160 | 100 Ų | 100 | 70% | 0.702 | 53% | 0.526 | S | S | * | . | trans | -67.4 | 126.2 | 173.5 | -67.3 | -91.7 | 0 | 0 | 0 | 108.5 | N239 | N239-F241 WeakPolarHBondContact O-CD2 3.37Å; N239-F241 PolarHBondContact O-N 3.41Å; N239-F241 VanDerWaalsContact O-N 3.13Å | ||
| 242 | I | 28.6 | Very low | 32.2 | Very low | 89 Ų | 89 | 101 Ų | 101 | 46% | 0.456 | 53% | 0.53 | S | S | . | . | trans | -84.1 | 122.5 | 168.4 | -50.8 | 177.7 | 0 | 0 | 0 | 107.2 | A240 Y244 | A240-I242 PolarHBondContact O-N 3.2Å; I242-Y244 HydrophobicContact CB-CE2 4.14Å; I242-Y244 HydrophobicContact CG2-CD2 3.97Å; I242-Y244 HydrophobicContact CG2-CE1 4.13Å; I242-Y244 HydrophobicContact CG2-CE2 3.22Å; I242-Y244 WeakPolarHBondContact CG2-OH 3.35Å | ||
| 243 | H | 28.4 | Very low | 33.4 | Very low | 61 Ų | 61 | 93.1 Ų | 93.1 | 28% | 0.282 | 50% | 0.499 | S | S | . | . | trans | -113.4 | 119.9 | -170.4 | -159.3 | -87.4 | 0 | 0 | 0 | 107.5 | R282 | H243-R282 PolarHBondContact CE1-NH1 2.86Å; H243-R282 PolarHBondContact CE1-NH2 3.27Å; H243-R282 VanDerWaalsContact CE1-NH2 3.3Å; H243-R282 PolarHBondContact NE2-NH1 2.99Å | ||
| 244 | Y | 33.4 | Very low | 34.4 | Very low | 124 Ų | 124 | 84.7 Ų | 84.7 | 49% | 0.486 | 47% | 0.47 | S | S | . | . | trans | -121.2 | 131.1 | 178.8 | -65.9 | -72.9 | 0 | 0 | 0 | 109.7 | I242 F340 | I242-Y244 HydrophobicContact CB-CE2 4.14Å; I242-Y244 HydrophobicContact CG2-CD2 3.97Å; I242-Y244 HydrophobicContact CG2-CE1 4.13Å; I242-Y244 HydrophobicContact CG2-CE2 3.22Å; I242-Y244 WeakPolarHBondContact CG2-OH 3.35Å; Y244-F340 WeakPolarHBondContact OH-CD2 3.29Å | ||
| 245 | D | 30.2 | Very low | 35.4 | Very low | 76 Ų | 76 | 88.4 Ų | 88.4 | 41% | 0.406 | 46% | 0.464 | S | S | . | . | trans | -88.4 | 125.4 | 177.2 | -133.1 | -17 | 0 | 0 | 0 | 110 | E247 | D245-E247 VanDerWaalsContact C-N 3.31Å; D245-E247 PolarHBondContact O-N 2.8Å | ||
| 246 | L | 36.4 | Very low | 36.8 | Very low | 36 Ų | 36 | 90.1 Ų | 90.1 | 19% | 0.188 | 46% | 0.46 | C | S | . | . | trans | -88.1 | 69.4 | 171.8 | -61.8 | 175.9 | 0 | 0 | 0 | 109 | N248 C249 S281 F337 | L246-N248 PolarHBondContact O-N 3.25Å; L246-C249 HydrophobicContact CB-CB 4.32Å; L246-S281 WeakPolarHBondContact CB-O 3.44Å; L246-S281 VanDerWaalsContact CD1-C 3.44Å; L246-S281 WeakPolarHBondContact CD1-O 2.95Å; L246-S281 WeakPolarHBondContact CG-O 3.15Å; L246-F337 HydrophobicContact CD2-CD1 4.47Å; L246-F337 HydrophobicContact CD2-CE1 3.64Å; L246-F337 HydrophobicContact CD2-CZ 4.45Å | ||
| 247 | E | 34.3 | Very low | 37.9 | Very low | 148 Ų | 148 | 87.1 Ų | 87.1 | 69% | 0.692 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 117.5 | 167.6 | -72 | -171.1 | 160.8 | 0 | 0 | 108.8 | D245 | D245-E247 VanDerWaalsContact C-N 3.31Å; D245-E247 PolarHBondContact O-N 2.8Å |
| 248 | N | 37.5 | Very low | 38.7 | Very low | 165 Ų | 165 | 83 Ų | 83 | 88% | 0.882 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 23 | 177.3 | -51.4 | -50.6 | 0 | 0 | 0 | 119.2 | L246 | L246-N248 PolarHBondContact O-N 3.25Š|
| 249 | C | 44.4 | Very low | 39.9 | Very low | 41 Ų | 41 | 80.3 Ų | 80.3 | 28% | 0.277 | 42% | 0.423 | S | S | . | . | trans | -76.2 | 133.6 | 166.6 | -165.4 | 0 | 0 | 0 | 0 | 111.4 | L246 V251 C254 | L246-C249 HydrophobicContact CB-CB 4.32Å; C249-V251 PolarHBondContact O-N 3.2Å; C249-V251 VanDerWaalsContact O-N 3.07Å; C249-C254 WeakPolarHBondContact CB-SG 2.85Å; C249-C254 WeakPolarHBondContact SG-CB 3.27Å; C249-C254 CovalentContact SG-SG 2.09Å; C249-C254 PolarHBondContact SG-SG 3.43Å | ||
| 250 | D | 46.1 | Very low | 41.3 | Very low | 105 Ų | 105 | 78.9 Ų | 78.9 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | trans | -64.2 | 105.1 | 158 | 177.8 | 0.1 | 0 | 0 | 0 | 108.9 | A252 A253 C254 | D250-A252 PolarHBondContact O-N 3.48Å; D250-A252 WeakPolarHBondContact OD1-CB 3.28Å; D250-A252 PolarHBondContact OD1-N 3.04Å; D250-A253 HydrophobicContact CB-CB 3.97Å; D250-A253 PolarHBondContact O-N 3.08Å; D250-A253 VanDerWaalsContact O-N 3.15Å; D250-C254 WeakPolarHBondContact O-CB 3.42Å; D250-C254 PolarHBondContact O-N 2.85Å | ||
| 251 | V | 43.3 | Very low | 42.4 | Very low | 58 Ų | 58 | 76.6 Ų | 76.6 | 35% | 0.352 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.6 | -31.7 | -178.2 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | C249 R255 N280 | C249-V251 PolarHBondContact O-N 3.2Å; C249-V251 VanDerWaalsContact O-N 3.07Å; V251-R255 WeakPolarHBondContact O-CB 3.2Å; V251-R255 WeakPolarHBondContact O-CG 3.26Å; V251-R255 PolarHBondContact O-N 3.03Å; V251-N280 WeakPolarHBondContact CG2-O 3.13Å |
| 252 | A | 48.7 | Very low | 43.5 | Very low | 62 Ų | 62 | 72.9 Ų | 72.9 | 51% | 0.512 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.4 | -46.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D250 R255 E256 | D250-A252 PolarHBondContact O-N 3.48Å; D250-A252 WeakPolarHBondContact OD1-CB 3.28Å; D250-A252 PolarHBondContact OD1-N 3.04Å; A252-R255 PolarHBondContact O-N 3.47Å; A252-E256 PolarHBondContact O-N 2.99Å |
| 253 | A | 49.5 | Very low | 44.7 | Very low | 27 Ų | 27 | 74.2 Ų | 74.2 | 22% | 0.223 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D250 R255 E256 M257 F313 | D250-A253 HydrophobicContact CB-CB 3.97Å; D250-A253 PolarHBondContact O-N 3.08Å; D250-A253 VanDerWaalsContact O-N 3.15Å; A253-R255 VanDerWaalsContact C-N 3.35Å; A253-R255 PolarHBondContact O-N 2.8Å; A253-E256 PolarHBondContact O-N 2.71Å; A253-M257 WeakPolarHBondContact O-CB 3.45Å; A253-M257 PolarHBondContact O-N 3.36Å; A253-F313 HydrophobicContact CB-CE1 4.07Å |
| 254 | C | 46.9 | Very low | 45.7 | Very low | 25 Ų | 25 | 74 Ų | 74 | 17% | 0.169 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56 | -46.8 | 172.8 | -93.5 | 0 | 0 | 0 | 0 | 110.1 | C249 D250 M258 | C249-C254 WeakPolarHBondContact CB-SG 2.85Å; C249-C254 WeakPolarHBondContact SG-CB 3.27Å; C249-C254 CovalentContact SG-SG 2.09Å; C249-C254 PolarHBondContact SG-SG 3.43Å; D250-C254 WeakPolarHBondContact O-CB 3.42Å; D250-C254 PolarHBondContact O-N 2.85Å; C254-M258 WeakPolarHBondContact O-CB 3.48Å; C254-M258 WeakPolarHBondContact O-CG 3.48Å; C254-M258 PolarHBondContact O-N 3.17Å; C254-M258 VanDerWaalsContact O-N 3.12Å |
| 255 | R | 46.5 | Very low | 46.2 | Very low | 146 Ų | 146 | 69.6 Ų | 69.6 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.6 | -39.7 | 177.4 | -77.9 | 177.7 | -175.2 | 168.4 | 2.3 | 114.4 | V251 A252 A253 M258 S259 N280 | V251-R255 WeakPolarHBondContact O-CB 3.2Å; V251-R255 WeakPolarHBondContact O-CG 3.26Å; V251-R255 PolarHBondContact O-N 3.03Å; A252-R255 PolarHBondContact O-N 3.47Å; A253-R255 VanDerWaalsContact C-N 3.35Å; A253-R255 PolarHBondContact O-N 2.8Å; R255-M258 PolarHBondContact O-N 2.76Å; R255-S259 PolarHBondContact O-N 2.8Å; R255-N280 PolarHBondContact NH2-OD1 3.42Å |
| 256 | E | 54.2 | Low | 46.8 | Very low | 103 Ų | 103 | 71.2 Ų | 71.2 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | 178.5 | -169.4 | -169.5 | 156.3 | 0 | 0 | 111.3 | A252 A253 M258 S259 K260 | A252-E256 PolarHBondContact O-N 2.99Å; A253-E256 PolarHBondContact O-N 2.71Å; E256-M258 PolarHBondContact O-N 2.91Å; E256-S259 PolarHBondContact O-N 2.81Å; E256-K260 PolarHBondContact O-N 2.92Å; E256-K260 VanDerWaalsContact O-N 3.11Å; E256-K260 VanDerWaalsContact OE1-CE 3.32Å; E256-K260 WeakPolarHBondContact OE1-CE 3.4Å; E256-K260 IonicContact OE1-NZ 2.87Å; E256-K260 PolarHBondContact OE1-NZ 2.81Å |
| 257 | M | 51 | Low | 47.1 | Very low | 26 Ų | 26 | 76.5 Ų | 76.5 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.1 | -42.4 | 174.1 | -179.1 | -178.2 | 172.8 | 0 | 0 | 111.2 | A253 K260 L261 I310 F313 | A253-M257 WeakPolarHBondContact O-CB 3.45Å; A253-M257 PolarHBondContact O-N 3.36Å; M257-K260 PolarHBondContact O-N 2.88Å; M257-L261 HydrophobicContact CE-CD1 4.07Å; M257-L261 HydrophobicContact CG-CD1 4.2Å; M257-L261 PolarHBondContact O-N 3.04Å; M257-I310 HydrophobicContact CE-CB 3.99Å; M257-I310 HydrophobicContact CE-CG1 3.34Å; M257-I310 HydrophobicContact CE-CG2 4.39Å; M257-F313 HydrophobicContact CB-CD1 4.4Å; M257-F313 HydrophobicContact CB-CD2 4.05Å; M257-F313 HydrophobicContact CB-CE1 4.18Å; M257-F313 HydrophobicContact CB-CE2 3.81Å; M257-F313 HydrophobicContact CB-CG 4.34Å; M257-F313 HydrophobicContact CB-CZ 3.88Å; M257-F313 HydrophobicContact CG-CD2 3.91Å; M257-F313 HydrophobicContact CG-CE2 4.1Å; M257-F313 HydrophobicContact CG-CG 4.29Å; M257-F313 HydrophobicContact SD-CB 4.02Å; M257-F313 HydrophobicContact SD-CD2 4.12Å; M257-F313 HydrophobicContact SD-CG 3.96Å |
| 258 | M | 44.4 | Very low | 47.4 | Very low | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.025 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.4 | -40.3 | -179.8 | -68.7 | -55.1 | -59.1 | 0 | 0 | 113.2 | C254 R255 E256 K260 L261 E262 I275 F277 L283 F285 | C254-M258 WeakPolarHBondContact O-CB 3.48Å; C254-M258 WeakPolarHBondContact O-CG 3.48Å; C254-M258 PolarHBondContact O-N 3.17Å; C254-M258 VanDerWaalsContact O-N 3.12Å; R255-M258 PolarHBondContact O-N 2.76Å; E256-M258 PolarHBondContact O-N 2.91Å; M258-K260 VanDerWaalsContact C-N 3.3Å; M258-K260 PolarHBondContact O-N 3.42Å; M258-L261 PolarHBondContact O-N 3.05Å; M258-L261 HydrophobicContact SD-CD1 4.11Å; M258-E262 WeakPolarHBondContact O-CB 3.33Å; M258-E262 WeakPolarHBondContact O-CG 3.39Å; M258-E262 PolarHBondContact O-N 3.17Å; M258-I275 HydrophobicContact CE-CB 4.29Å; M258-I275 HydrophobicContact CE-CD1 3.58Å; M258-I275 HydrophobicContact CE-CG1 4.27Å; M258-I275 HydrophobicContact CE-CG2 3.25Å; M258-F277 HydrophobicContact CE-CZ 4.44Å; M258-L283 HydrophobicContact CE-CD2 3.25Å; M258-L283 HydrophobicContact CG-CD1 4.03Å; M258-L283 HydrophobicContact CG-CD2 3.9Å; M258-L283 HydrophobicContact SD-CD1 3.83Å; M258-L283 HydrophobicContact SD-CD2 3.33Å; M258-L283 WeakPolarHBondContact SD-CD2 3.38Å; M258-L283 HydrophobicContact SD-CG 4.23Å; M258-F285 HydrophobicContact CE-CE1 4.4Å; M258-F285 HydrophobicContact SD-CE1 4.34Å; M258-F285 HydrophobicContact SD-CZ 4.38Å |
| 259 | S | 53.9 | Low | 47.4 | Very low | 55 Ų | 55 | 69.1 Ų | 69.1 | 39% | 0.385 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 174.5 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | R255 E256 Q263 | R255-S259 PolarHBondContact O-N 2.8Å; E256-S259 PolarHBondContact O-N 2.81Å; S259-Q263 WeakPolarHBondContact O-CB 3.29Å; S259-Q263 VanDerWaalsContact O-CG 3.27Å; S259-Q263 WeakPolarHBondContact O-CG 3.47Å; S259-Q263 PolarHBondContact O-N 3.22Å |
| 260 | K | 55.8 | Low | 47.4 | Very low | 82 Ų | 82 | 70.8 Ų | 70.8 | 36% | 0.357 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 174.7 | -70.5 | 177 | -174.2 | 167.5 | 0 | 111.8 | E256 M257 M258 T264 | E256-K260 PolarHBondContact O-N 2.92Å; E256-K260 VanDerWaalsContact O-N 3.11Å; E256-K260 VanDerWaalsContact OE1-CE 3.32Å; E256-K260 WeakPolarHBondContact OE1-CE 3.4Å; E256-K260 IonicContact OE1-NZ 2.87Å; E256-K260 PolarHBondContact OE1-NZ 2.81Å; M257-K260 PolarHBondContact O-N 2.88Å; M258-K260 VanDerWaalsContact C-N 3.3Å; M258-K260 PolarHBondContact O-N 3.42Å; K260-T264 WeakPolarHBondContact O-CB 3.44Å; K260-T264 PolarHBondContact O-N 2.75Å; K260-T264 PolarHBondContact O-OG1 2.92Å |
| 261 | L | 51.4 | Low | 47 | Very low | 15 Ų | 15 | 71.1 Ų | 71.1 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 176.8 | -82.1 | 165.6 | 0 | 0 | 0 | 112 | M257 M258 T264 V265 A306 | M257-L261 HydrophobicContact CE-CD1 4.07Å; M257-L261 HydrophobicContact CG-CD1 4.2Å; M257-L261 PolarHBondContact O-N 3.04Å; M258-L261 PolarHBondContact O-N 3.05Å; M258-L261 HydrophobicContact SD-CD1 4.11Å; L261-T264 PolarHBondContact O-N 3.49Å; L261-V265 WeakPolarHBondContact O-CB 3.28Å; L261-V265 WeakPolarHBondContact O-CG2 3.26Å; L261-V265 PolarHBondContact O-N 3.4Å; L261-A306 HydrophobicContact CD2-CB 4.23Å |
| 262 | E | 48.6 | Very low | 46.9 | Very low | 81 Ų | 81 | 68.9 Ų | 68.9 | 38% | 0.379 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 177.7 | -77.1 | -179 | 171.4 | 0 | 0 | 111.6 | M258 T264 V265 T266 I275 | M258-E262 WeakPolarHBondContact O-CB 3.33Å; M258-E262 WeakPolarHBondContact O-CG 3.39Å; M258-E262 PolarHBondContact O-N 3.17Å; E262-T264 PolarHBondContact O-N 2.88Å; E262-V265 PolarHBondContact O-N 2.69Å; E262-V265 VanDerWaalsContact O-N 3.16Å; E262-T266 WeakPolarHBondContact O-CG2 3.47Å; E262-T266 PolarHBondContact O-N 2.85Å; E262-T266 PolarHBondContact O-OG1 3.04Å; E262-I275 HydrophobicContact CG-CD1 4.1Å |
| 263 | Q | 54.2 | Low | 46.4 | Very low | 117 Ų | 117 | 68.2 Ų | 68.2 | 55% | 0.547 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.5 | -37.2 | 176.6 | -75.7 | 177.6 | 4 | 0 | 0 | 112.4 | S259 T266 N267 | S259-Q263 WeakPolarHBondContact O-CB 3.29Å; S259-Q263 VanDerWaalsContact O-CG 3.27Å; S259-Q263 WeakPolarHBondContact O-CG 3.47Å; S259-Q263 PolarHBondContact O-N 3.22Å; Q263-T266 WeakPolarHBondContact CA-OG1 3.32Å; Q263-T266 PolarHBondContact O-OG1 3.31Å; Q263-N267 WeakPolarHBondContact O-CB 3.43Å; Q263-N267 PolarHBondContact O-N 3.41Å; Q263-N267 VanDerWaalsContact O-N 3.16Å; Q263-N267 PolarHBondContact O-ND2 2.72Å |
| 264 | T | 48.3 | Very low | 45.9 | Very low | 56 Ų | 56 | 74.4 Ų | 74.4 | 34% | 0.344 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -73.3 | -38.7 | -179.9 | -50.9 | 0 | 0 | 0 | 0 | 111.5 | K260 L261 E262 A268 F305 | K260-T264 WeakPolarHBondContact O-CB 3.44Å; K260-T264 PolarHBondContact O-N 2.75Å; K260-T264 PolarHBondContact O-OG1 2.92Å; L261-T264 PolarHBondContact O-N 3.49Å; E262-T264 PolarHBondContact O-N 2.88Å; T264-A268 PolarHBondContact O-N 2.96Å; T264-F305 HydrophobicContact CG2-CD1 4.05Å; T264-F305 HydrophobicContact CG2-CE1 4.14Å |
| 265 | V | 45.1 | Very low | 45.5 | Very low | 32 Ų | 32 | 74.7 Ų | 74.7 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -75 | -32.4 | 179.4 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | L261 E262 F270 L273 | L261-V265 WeakPolarHBondContact O-CB 3.28Å; L261-V265 WeakPolarHBondContact O-CG2 3.26Å; L261-V265 PolarHBondContact O-N 3.4Å; E262-V265 PolarHBondContact O-N 2.69Å; E262-V265 VanDerWaalsContact O-N 3.16Å; V265-F270 HydrophobicContact CG1-CB 4.25Å; V265-L273 HydrophobicContact CB-CD2 4.33Å; V265-L273 HydrophobicContact CG1-CB 4.02Å; V265-L273 HydrophobicContact CG1-CD2 4.02Å; V265-L273 HydrophobicContact CG2-CD2 3.47Å; V265-L273 VanDerWaalsContact CG2-CD2 3.47Å |
| 266 | T | 42.9 | Very low | 45 | Very low | 111 Ų | 111 | 71.8 Ų | 71.8 | 68% | 0.681 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -73.2 | -31.1 | 173.7 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | E262 Q263 A268 | E262-T266 WeakPolarHBondContact O-CG2 3.47Å; E262-T266 PolarHBondContact O-N 2.85Å; E262-T266 PolarHBondContact O-OG1 3.04Å; Q263-T266 WeakPolarHBondContact CA-OG1 3.32Å; Q263-T266 PolarHBondContact O-OG1 3.31Å; T266-A268 VanDerWaalsContact C-N 3.35Å |
| 267 | N | 43.2 | Very low | 44 | Very low | 146 Ų | 146 | 72.7 Ų | 72.7 | 78% | 0.781 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -80.4 | -17 | 179.2 | -77.5 | -18 | 0 | 0 | 0 | 113.6 | Q263 | Q263-N267 WeakPolarHBondContact O-CB 3.43Å; Q263-N267 PolarHBondContact O-N 3.41Å; Q263-N267 VanDerWaalsContact O-N 3.16Å; Q263-N267 PolarHBondContact O-ND2 2.72Å |
| 268 | A | 40.3 | Very low | 43.3 | Very low | 36 Ų | 36 | 73.8 Ų | 73.8 | 30% | 0.298 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 144 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | T264 T266 F270 | T264-A268 PolarHBondContact O-N 2.96Å; T266-A268 VanDerWaalsContact C-N 3.35Å; A268-F270 HydrophobicContact CB-CD2 3.22Å; A268-F270 HydrophobicContact CB-CE2 3.08Å; A268-F270 HydrophobicContact CB-CG 4.31Å; A268-F270 HydrophobicContact CB-CZ 4.07Å; A268-F270 PolarHBondContact O-N 2.61Å |
| 269 | S | 37.4 | Very low | 42.9 | Very low | 123 Ų | 123 | 77.3 Ų | 77.3 | 86% | 0.86 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 55.4 | -176 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | A271 | S269-A271 PolarHBondContact O-N 3.45Š|
| 270 | F | 44.1 | Very low | 42.1 | Very low | 75 Ų | 75 | 80.5 Ų | 80.5 | 33% | 0.329 | 44% | 0.437 | S | S | . | . | trans | -94.6 | 89.5 | -177.8 | -69.4 | -63 | 0 | 0 | 0 | 109.5 | V265 A268 G272 | V265-F270 HydrophobicContact CG1-CB 4.25Å; A268-F270 HydrophobicContact CB-CD2 3.22Å; A268-F270 HydrophobicContact CB-CE2 3.08Å; A268-F270 HydrophobicContact CB-CG 4.31Å; A268-F270 HydrophobicContact CB-CZ 4.07Å; A268-F270 PolarHBondContact O-N 2.61Å; F270-G272 PolarHBondContact O-N 3.27Å; F270-G272 VanDerWaalsContact O-N 3.08Å | ||
| 271 | A | 37.6 | Very low | 41.4 | Very low | 112 Ų | 112 | 78.8 Ų | 78.8 | 93% | 0.926 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 3.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S269 | S269-A271 PolarHBondContact O-N 3.45Š|
| 272 | G | 40 | Very low | 40.7 | Very low | 12 Ų | 12 | 79.2 Ų | 79.2 | 12% | 0.124 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -16.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | F270 L287 F288 | F270-G272 PolarHBondContact O-N 3.27Å; F270-G272 VanDerWaalsContact O-N 3.08Å; G272-L287 CarbonylContact O-C 3.56Å; G272-F288 WeakPolarHBondContact O-CB 3.12Å; G272-F288 PolarHBondContact O-N 3.34Å |
| 273 | L | 39.8 | Very low | 40.1 | Very low | 47 Ų | 47 | 77.3 Ų | 77.3 | 25% | 0.246 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 120.4 | -177.5 | -169.7 | 78.5 | 0 | 0 | 0 | 110.4 | V265 I275 L287 | V265-L273 HydrophobicContact CB-CD2 4.33Å; V265-L273 HydrophobicContact CG1-CB 4.02Å; V265-L273 HydrophobicContact CG1-CD2 4.02Å; V265-L273 HydrophobicContact CG2-CD2 3.47Å; V265-L273 VanDerWaalsContact CG2-CD2 3.47Å; L273-I275 HydrophobicContact CD2-CD1 4.23Å; L273-I275 HydrophobicContact CD2-CG1 4.3Å; L273-I275 HydrophobicContact CG-CG1 4.43Å; L273-L287 HydrophobicContact CD1-CD1 3.57Å; L273-L287 HydrophobicContact CD1-CG 4.37Å |
| 274 | R | 37.3 | Very low | 39.3 | Very low | 157 Ų | 157 | 74.4 Ų | 74.4 | 59% | 0.592 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 135 | 163.6 | -66.3 | -164.3 | -176.7 | -170.8 | 1.6 | 110.7 | F276 R286 F288 | R274-F276 HydrophobicContact CB-CE2 3.84Å; R274-F276 HydrophobicContact CB-CZ 4.07Å; R274-R286 PolarHBondContact N-O 3.31Å; R274-R286 PolarHBondContact O-N 2.97Å; R274-F288 HydrophobicContact CB-CD2 4.49Å; R274-F288 HydrophobicContact CB-CE2 3.95Å; R274-F288 HydrophobicContact CG-CD2 4.24Å; R274-F288 HydrophobicContact CG-CE2 3.83Å |
| 275 | I | 39.3 | Very low | 38.7 | Very low | 31 Ų | 31 | 76.4 Ų | 76.4 | 16% | 0.159 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129.3 | 177.9 | -59.1 | 174.4 | 0 | 0 | 0 | 106.1 | M258 E262 L273 F277 L283 F285 | M258-I275 HydrophobicContact CE-CB 4.29Å; M258-I275 HydrophobicContact CE-CD1 3.58Å; M258-I275 HydrophobicContact CE-CG1 4.27Å; M258-I275 HydrophobicContact CE-CG2 3.25Å; E262-I275 HydrophobicContact CG-CD1 4.1Å; L273-I275 HydrophobicContact CD2-CD1 4.23Å; L273-I275 HydrophobicContact CD2-CG1 4.3Å; L273-I275 HydrophobicContact CG-CG1 4.43Å; I275-F277 HydrophobicContact CG2-CE2 4.41Å; I275-L283 HydrophobicContact CG2-CD2 4.12Å; I275-F285 HydrophobicContact CG1-CD1 4.48Å |
| 276 | F | 36.8 | Very low | 38.2 | Very low | 86 Ų | 86 | 80.7 Ų | 80.7 | 38% | 0.377 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.6 | 173.9 | -59.5 | -88.6 | 0 | 0 | 0 | 109.7 | R274 I284 R286 | R274-F276 HydrophobicContact CB-CE2 3.84Å; R274-F276 HydrophobicContact CB-CZ 4.07Å; F276-I284 HydrophobicContact CB-CB 4.12Å; F276-I284 HydrophobicContact CB-CG2 4.44Å; F276-I284 HydrophobicContact CD2-CG2 4.49Å; F276-I284 PolarHBondContact N-O 3.5Å; F276-I284 PolarHBondContact O-N 2.83Å; F276-I284 VanDerWaalsContact O-N 3.09Å; F276-R286 HydrophobicContact CE2-CB 4.11Å |
| 277 | F | 32.6 | Very low | 37.8 | Very low | 122 Ų | 122 | 77.8 Ų | 77.8 | 54% | 0.535 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 134.3 | 171 | -67.3 | -85.7 | 0 | 0 | 0 | 109.4 | M258 I275 | M258-F277 HydrophobicContact CE-CZ 4.44Å; I275-F277 HydrophobicContact CG2-CE2 4.41Å |
| 278 | T | 36.6 | Very low | 37.4 | Very low | 48 Ų | 48 | 74.5 Ų | 74.5 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.2 | 156.1 | 51.9 | 0 | 0 | 0 | 0 | 105.9 | R282 I284 | T278-R282 VanDerWaalsContact O-CB 3.23Å; T278-R282 WeakPolarHBondContact O-CB 3.21Å; T278-R282 WeakPolarHBondContact OG1-CB 3.48Å; T278-R282 WeakPolarHBondContact OG1-CD 3.45Å; T278-I284 HydrophobicContact CG2-CD1 3.92Å |
| 279 | D | 36.3 | Very low | 37.2 | Very low | 79 Ų | 79 | 77.8 Ų | 77.8 | 42% | 0.422 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 29.5 | 95.8 | 165.4 | 53.2 | -22.2 | 0 | 0 | 0 | 118.5 | R223 S281 R282 | R223-D279 IonicContact CZ-OD2 2.92Å; R223-D279 IonicContact NH1-OD1 3.17Å; R223-D279 IonicContact NH1-OD2 3.72Å; R223-D279 PolarHBondContact NH1-OD2 3.1Å; R223-D279 IonicContact NH2-OD1 2.97Å; R223-D279 IonicContact NH2-OD2 3.83Å; R223-D279 PolarHBondContact NH2-OD2 3.44Å; D279-S281 PolarHBondContact O-N 3.04Å; D279-S281 PolarHBondContact O-OG 3.29Å; D279-R282 WeakPolarHBondContact OD1-CD 3.36Å; D279-R282 IonicContact OD1-NE 2.64Å |
| 280 | N | 37.5 | Very low | 37.2 | Very low | 122 Ų | 122 | 74.6 Ų | 74.6 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.1 | -4.8 | 163.7 | -79.1 | -14.7 | 0 | 0 | 0 | 121.6 | V251 R255 | V251-N280 WeakPolarHBondContact CG2-O 3.13Å; R255-N280 PolarHBondContact NH2-OD1 3.42Å |
| 281 | S | 40.6 | Very low | 36.6 | Very low | 47 Ų | 47 | 75.4 Ų | 75.4 | 33% | 0.329 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.5 | 19.8 | -172.9 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | L246 D279 | L246-S281 WeakPolarHBondContact CB-O 3.44Å; L246-S281 VanDerWaalsContact CD1-C 3.44Å; L246-S281 WeakPolarHBondContact CD1-O 2.95Å; L246-S281 WeakPolarHBondContact CG-O 3.15Å; D279-S281 PolarHBondContact O-N 3.04Å; D279-S281 PolarHBondContact O-OG 3.29Å |
| 282 | R | 35.8 | Very low | 36.5 | Very low | 24 Ų | 24 | 74.5 Ų | 74.5 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 137.4 | -176.7 | -45.9 | 174.7 | 170.8 | -155.8 | -18.9 | 113.3 | R223 H243 T278 D279 | R223-R282 VanDerWaalsContact CD-NH1 3.35Å; R223-R282 VanDerWaalsContact CZ-CZ 3.47Å; H243-R282 PolarHBondContact CE1-NH1 2.86Å; H243-R282 PolarHBondContact CE1-NH2 3.27Å; H243-R282 VanDerWaalsContact CE1-NH2 3.3Å; H243-R282 PolarHBondContact NE2-NH1 2.99Å; T278-R282 VanDerWaalsContact O-CB 3.23Å; T278-R282 WeakPolarHBondContact O-CB 3.21Å; T278-R282 WeakPolarHBondContact OG1-CB 3.48Å; T278-R282 WeakPolarHBondContact OG1-CD 3.45Å; D279-R282 WeakPolarHBondContact OD1-CD 3.36Å; D279-R282 IonicContact OD1-NE 2.64Å |
| 283 | L | 35.3 | Very low | 36.4 | Very low | 41 Ų | 41 | 79.6 Ų | 79.6 | 22% | 0.215 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.8 | 176.3 | -91.7 | 157.9 | 0 | 0 | 0 | 109.5 | M258 I275 F285 | M258-L283 HydrophobicContact CE-CD2 3.25Å; M258-L283 HydrophobicContact CG-CD1 4.03Å; M258-L283 HydrophobicContact CG-CD2 3.9Å; M258-L283 HydrophobicContact SD-CD1 3.83Å; M258-L283 HydrophobicContact SD-CD2 3.33Å; M258-L283 WeakPolarHBondContact SD-CD2 3.38Å; M258-L283 HydrophobicContact SD-CG 4.23Å; I275-L283 HydrophobicContact CG2-CD2 4.12Å; L283-F285 HydrophobicContact CB-CE2 3.99Å; L283-F285 HydrophobicContact CB-CZ 4.18Å; L283-F285 HydrophobicContact CD1-CZ 4.46Å; L283-F285 HydrophobicContact CD2-CE1 4.4Å; L283-F285 HydrophobicContact CD2-CZ 4.06Å; L283-F285 HydrophobicContact CG-CZ 4.47Å |
| 284 | I | 37.6 | Very low | 36.2 | Very low | 56 Ų | 56 | 85.1 Ų | 85.1 | 29% | 0.287 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.8 | 173.6 | -59.4 | 171.9 | 0 | 0 | 0 | 107.6 | F276 T278 | F276-I284 HydrophobicContact CB-CB 4.12Å; F276-I284 HydrophobicContact CB-CG2 4.44Å; F276-I284 HydrophobicContact CD2-CG2 4.49Å; F276-I284 PolarHBondContact N-O 3.5Å; F276-I284 PolarHBondContact O-N 2.83Å; F276-I284 VanDerWaalsContact O-N 3.09Å; T278-I284 HydrophobicContact CG2-CD1 3.92Å |
| 285 | F | 36.2 | Very low | 36.1 | Very low | 97 Ų | 97 | 80.1 Ų | 80.1 | 43% | 0.425 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.9 | 174.1 | -58 | -82.3 | 0 | 0 | 0 | 110 | M258 I275 L283 | M258-F285 HydrophobicContact CE-CE1 4.4Å; M258-F285 HydrophobicContact SD-CE1 4.34Å; M258-F285 HydrophobicContact SD-CZ 4.38Å; I275-F285 HydrophobicContact CG1-CD1 4.48Å; L283-F285 HydrophobicContact CB-CE2 3.99Å; L283-F285 HydrophobicContact CB-CZ 4.18Å; L283-F285 HydrophobicContact CD1-CZ 4.46Å; L283-F285 HydrophobicContact CD2-CE1 4.4Å; L283-F285 HydrophobicContact CD2-CZ 4.06Å; L283-F285 HydrophobicContact CG-CZ 4.47Å |
| 286 | R | 34.5 | Very low | 35.8 | Very low | 123 Ų | 123 | 86.6 Ų | 86.6 | 46% | 0.464 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 112.1 | 169.1 | -165.1 | 168.9 | -171.5 | 169.6 | 5.3 | 109.6 | R274 F276 F288 | R274-R286 PolarHBondContact N-O 3.31Å; R274-R286 PolarHBondContact O-N 2.97Å; F276-R286 HydrophobicContact CE2-CB 4.11Å; R286-F288 HydrophobicContact CB-CE2 4.35Å; R286-F288 HydrophobicContact CG-CD2 4.38Å; R286-F288 HydrophobicContact CG-CE2 3.95Å; R286-F288 HydrophobicContact CG-CZ 4.05Å |
| 287 | L | 35.9 | Very low | 36 | Very low | 49 Ų | 49 | 86.3 Ų | 86.3 | 26% | 0.257 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 115.2 | 167.1 | -140.7 | 111.7 | 0 | 0 | 0 | 108.3 | G272 L273 I290 L342 N343 | G272-L287 CarbonylContact O-C 3.56Å; L273-L287 HydrophobicContact CD1-CD1 3.57Å; L273-L287 HydrophobicContact CD1-CG 4.37Å; L287-I290 HydrophobicContact CD2-CD1 4.19Å; L287-I290 HydrophobicContact CD2-CG1 4.48Å; L287-L342 VanDerWaalsContact CB-O 3.3Å; L287-L342 WeakPolarHBondContact CB-O 2.94Å; L287-N343 HydrophobicContact CD2-CB 4.4Å; L287-N343 WeakPolarHBondContact CD2-O 3.41Å |
| 288 | F | 34 | Very low | 36.2 | Very low | 77 Ų | 77 | 87.3 Ų | 87.3 | 34% | 0.338 | 45% | 0.453 | S | S | . | . | trans | -80.4 | 143.9 | 168.6 | -69.1 | -85.7 | 0 | 0 | 0 | 110 | G272 R274 R286 I290 | G272-F288 WeakPolarHBondContact O-CB 3.12Å; G272-F288 PolarHBondContact O-N 3.34Å; R274-F288 HydrophobicContact CB-CD2 4.49Å; R274-F288 HydrophobicContact CB-CE2 3.95Å; R274-F288 HydrophobicContact CG-CD2 4.24Å; R274-F288 HydrophobicContact CG-CE2 3.83Å; R286-F288 HydrophobicContact CB-CE2 4.35Å; R286-F288 HydrophobicContact CG-CD2 4.38Å; R286-F288 HydrophobicContact CG-CE2 3.95Å; R286-F288 HydrophobicContact CG-CZ 4.05Å; F288-I290 PolarHBondContact O-N 2.76Å; F288-I290 VanDerWaalsContact O-N 3.14Å | ||
| 289 | H | 35.7 | Very low | 36.5 | Very low | 105 Ų | 105 | 85.8 Ų | 85.8 | 49% | 0.486 | 44% | 0.444 | S | S | . | . | trans | -41.6 | 112.1 | 178.1 | -176.1 | -85.5 | 0 | 0 | 0 | 112.3 | ||||
| 290 | I | 37.2 | Very low | 36.8 | Very low | 57 Ų | 57 | 85.8 Ų | 85.8 | 29% | 0.292 | 44% | 0.443 | S | S | . | . | trans | -76.6 | 122.7 | 171.6 | -58.9 | 173.1 | 0 | 0 | 0 | 107.2 | L287 F288 P292 V295 P299 | L287-I290 HydrophobicContact CD2-CD1 4.19Å; L287-I290 HydrophobicContact CD2-CG1 4.48Å; F288-I290 PolarHBondContact O-N 2.76Å; F288-I290 VanDerWaalsContact O-N 3.14Å; I290-P292 WeakPolarHBondContact O-CD 3.17Å; I290-V295 HydrophobicContact CG2-CG2 4Å; I290-P299 HydrophobicContact CD1-CB 4.18Å | ||
| 291 | N | 32.6 | Very low | 37.3 | Very low | 92 Ų | 92 | 85.3 Ų | 85.3 | 49% | 0.492 | 44% | 0.44 | S | S | . | . | trans | -63.6 | 118.6 | 179.4 | -140.1 | -3.1 | 0 | 0 | 0 | 109.2 | T293 E294 | N291-T293 PolarHBondContact O-N 3Å; N291-E294 PolarHBondContact O-N 3.21Å | ||
| 292 | P | 34.2 | Very low | 37.6 | Very low | 93 Ų | 93 | 84 Ų | 84 | 60% | 0.604 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11 | -172.2 | 23.4 | -31.9 | 0 | 0 | 0 | 113.8 | I290 | I290-P292 WeakPolarHBondContact O-CD 3.17Š|
| 293 | T | 38.5 | Very low | 38.2 | Very low | 119 Ų | 119 | 84.4 Ų | 84.4 | 73% | 0.73 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9.3 | -177.5 | 49.7 | 0 | 0 | 0 | 0 | 114.7 | N291 | N291-T293 PolarHBondContact O-N 3Š|
| 294 | E | 36.3 | Very low | 38.8 | Very low | 163 Ų | 163 | 85.2 Ų | 85.2 | 76% | 0.762 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -110.6 | -1.1 | -173.3 | -78.2 | -170.6 | 163 | 0 | 0 | 115.8 | N291 | N291-E294 PolarHBondContact O-N 3.21Š|
| 295 | V | 34.4 | Very low | 39.6 | Very low | 51 Ų | 51 | 87.3 Ų | 87.3 | 31% | 0.309 | 46% | 0.457 | S | S | . | . | trans | -146.2 | 80.1 | -164 | -142.6 | 0 | 0 | 0 | 0 | 115.7 | I290 K298 P299 | I290-V295 HydrophobicContact CG2-CG2 4Å; V295-K298 HydrophobicContact CG1-CB 3.58Å; V295-K298 HydrophobicContact CG1-CG 4.42Å; V295-P299 HydrophobicContact CB-CG 3.79Å; V295-P299 HydrophobicContact CG1-CB 4.5Å; V295-P299 HydrophobicContact CG1-CG 3.6Å | ||
| 296 | L | 33.1 | Very low | 40.3 | Very low | 167 Ų | 167 | 83.8 Ų | 83.8 | 87% | 0.874 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -71.5 | 125.9 | 152.8 | -77.4 | 156.3 | 0 | 0 | 0 | 108.5 | K298 | L296-K298 PolarHBondContact O-N 3.41Å; L296-K298 VanDerWaalsContact O-N 3.09Å |
| 297 | S | 40.5 | Very low | 41.2 | Very low | 81 Ų | 81 | 79.1 Ų | 79.1 | 57% | 0.566 | 43% | 0.43 | S | S | * | . | S | Bend | trans | 71.9 | -32.5 | 171.8 | 75 | 0 | 0 | 0 | 0 | 120.4 | P299 | S297-P299 VanDerWaalsContact C-CD 3.43Š|
| 298 | K | 37.8 | Very low | 42.2 | Very low | 143 Ų | 143 | 79.2 Ų | 79.2 | 62% | 0.622 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -74.7 | -27.4 | -172 | -57.5 | 179.5 | 177.8 | 177.6 | 0 | 118.1 | V295 L296 G302 | V295-K298 HydrophobicContact CG1-CB 3.58Å; V295-K298 HydrophobicContact CG1-CG 4.42Å; L296-K298 PolarHBondContact O-N 3.41Å; L296-K298 VanDerWaalsContact O-N 3.09Å; K298-G302 PolarHBondContact O-N 3.02Å |
| 299 | P | 43.1 | Very low | 43.4 | Very low | 16 Ų | 16 | 76.6 Ų | 76.6 | 10% | 0.104 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -79.7 | -32.2 | -176.4 | 15.9 | -0.7 | 0 | 0 | 0 | 112 | I290 V295 S297 I301 G302 I303 | I290-P299 HydrophobicContact CD1-CB 4.18Å; V295-P299 HydrophobicContact CB-CG 3.79Å; V295-P299 HydrophobicContact CG1-CB 4.5Å; V295-P299 HydrophobicContact CG1-CG 3.6Å; S297-P299 VanDerWaalsContact C-CD 3.43Å; P299-I301 VanDerWaalsContact C-N 3.33Å; P299-I301 PolarHBondContact O-N 3.04Å; P299-G302 PolarHBondContact O-N 2.81Å; P299-I303 WeakPolarHBondContact O-CG1 3.34Å; P299-I303 PolarHBondContact O-N 2.92Å |
| 300 | L | 42.3 | Very low | 44.3 | Very low | 79 Ų | 79 | 72.1 Ų | 72.1 | 41% | 0.414 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 176.4 | -74.1 | 165.2 | 0 | 0 | 0 | 111.6 | I303 A304 I344 | L300-I303 PolarHBondContact O-N 2.85Å; L300-A304 WeakPolarHBondContact O-CB 3.31Å; L300-A304 PolarHBondContact O-N 3.47Å; L300-I344 HydrophobicContact CD2-CD1 4.34Å |
| 301 | I | 47.8 | Very low | 45.1 | Very low | 112 Ų | 112 | 75.1 Ų | 75.1 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.8 | -45.1 | 175.1 | -64.3 | 167.9 | 0 | 0 | 0 | 110.3 | P299 I303 A304 F305 | P299-I301 VanDerWaalsContact C-N 3.33Å; P299-I301 PolarHBondContact O-N 3.04Å; I301-I303 PolarHBondContact O-N 3.29Å; I301-A304 PolarHBondContact O-N 2.8Å; I301-F305 VanDerWaalsContact O-CB 3.31Å; I301-F305 WeakPolarHBondContact O-CB 3.09Å; I301-F305 PolarHBondContact O-N 3.15Å |
| 302 | G | 46.1 | Very low | 46.5 | Very low | 20 Ų | 20 | 77.5 Ų | 77.5 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K298 P299 F305 A306 | K298-G302 PolarHBondContact O-N 3.02Å; P299-G302 PolarHBondContact O-N 2.81Å; G302-F305 PolarHBondContact O-N 2.79Å; G302-A306 WeakPolarHBondContact O-CB 3.23Å; G302-A306 PolarHBondContact O-N 2.6Å |
| 303 | I | 48.5 | Very low | 47.3 | Very low | 31 Ų | 31 | 76.9 Ų | 76.9 | 16% | 0.159 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -72.1 | -40.8 | 178.3 | -67.5 | 169 | 0 | 0 | 0 | 111 | P299 L300 I301 F305 A306 L307 I344 | P299-I303 WeakPolarHBondContact O-CG1 3.34Å; P299-I303 PolarHBondContact O-N 2.92Å; L300-I303 PolarHBondContact O-N 2.85Å; I301-I303 PolarHBondContact O-N 3.29Å; I303-F305 VanDerWaalsContact C-N 3.29Å; I303-F305 PolarHBondContact O-N 2.77Å; I303-A306 PolarHBondContact O-N 3.28Å; I303-L307 HydrophobicContact CG2-CD1 3.94Å; I303-L307 HydrophobicContact CG2-CG 4.41Å; I303-L307 VanDerWaalsContact O-CB 3.29Å; I303-L307 WeakPolarHBondContact O-CB 3.37Å; I303-L307 VanDerWaalsContact O-CG 3.22Å; I303-L307 WeakPolarHBondContact O-CG 3.45Å; I303-L307 PolarHBondContact O-N 3.49Å; I303-I344 HydrophobicContact CD1-CD1 3.21Å; I303-I344 HydrophobicContact CD1-CG1 3.55Å |
| 304 | A | 49.3 | Very low | 47.8 | Very low | 59 Ų | 59 | 72.7 Ų | 72.7 | 49% | 0.488 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | L300 I301 S308 | L300-A304 WeakPolarHBondContact O-CB 3.31Å; L300-A304 PolarHBondContact O-N 3.47Å; I301-A304 PolarHBondContact O-N 2.8Å; A304-S308 WeakPolarHBondContact O-CB 3.43Å; A304-S308 PolarHBondContact O-N 3.35Å |
| 305 | F | 53.1 | Low | 48.8 | Very low | 100 Ų | 100 | 66.6 Ų | 66.6 | 44% | 0.439 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.1 | -43.1 | 176.4 | -159.5 | -89.6 | 0 | 0 | 0 | 111.8 | T264 I301 G302 I303 L307 S308 E309 | T264-F305 HydrophobicContact CG2-CD1 4.05Å; T264-F305 HydrophobicContact CG2-CE1 4.14Å; I301-F305 VanDerWaalsContact O-CB 3.31Å; I301-F305 WeakPolarHBondContact O-CB 3.09Å; I301-F305 PolarHBondContact O-N 3.15Å; G302-F305 PolarHBondContact O-N 2.79Å; I303-F305 VanDerWaalsContact C-N 3.29Å; I303-F305 PolarHBondContact O-N 2.77Å; F305-L307 VanDerWaalsContact C-N 3.33Å; F305-L307 PolarHBondContact O-N 3.17Å; F305-S308 WeakPolarHBondContact O-CA 3.47Å; F305-S308 WeakPolarHBondContact O-CB 3.45Å; F305-S308 PolarHBondContact O-N 2.99Å; F305-S308 VanDerWaalsContact O-N 3.09Å; F305-E309 HydrophobicContact CD1-CG 4.12Å; F305-E309 HydrophobicContact CE1-CG 3.91Å; F305-E309 PolarHBondContact O-N 3.11Å |
| 306 | A | 51.9 | Low | 49.4 | Very low | 22 Ų | 22 | 71.8 Ų | 71.8 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L261 G302 I303 S308 E309 I310 | L261-A306 HydrophobicContact CD2-CB 4.23Å; G302-A306 WeakPolarHBondContact O-CB 3.23Å; G302-A306 PolarHBondContact O-N 2.6Å; I303-A306 PolarHBondContact O-N 3.28Å; A306-S308 VanDerWaalsContact C-N 3.32Å; A306-S308 PolarHBondContact O-N 3.46Å; A306-E309 PolarHBondContact O-N 2.88Å; A306-I310 WeakPolarHBondContact O-CB 3.35Å; A306-I310 VanDerWaalsContact O-CD1 3.3Å; A306-I310 WeakPolarHBondContact O-CD1 3.48Å; A306-I310 WeakPolarHBondContact O-CG1 3.41Å; A306-I310 PolarHBondContact O-N 3.5Å |
| 307 | L | 52.9 | Low | 50.1 | Low | 25 Ų | 25 | 65.5 Ų | 65.5 | 13% | 0.131 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -37.2 | 173.3 | -74.8 | 168.2 | 0 | 0 | 0 | 112.1 | I303 F305 I310 K311 I317 F330 F341 | I303-L307 HydrophobicContact CG2-CD1 3.94Å; I303-L307 HydrophobicContact CG2-CG 4.41Å; I303-L307 VanDerWaalsContact O-CB 3.29Å; I303-L307 WeakPolarHBondContact O-CB 3.37Å; I303-L307 VanDerWaalsContact O-CG 3.22Å; I303-L307 WeakPolarHBondContact O-CG 3.45Å; I303-L307 PolarHBondContact O-N 3.49Å; F305-L307 VanDerWaalsContact C-N 3.33Å; F305-L307 PolarHBondContact O-N 3.17Å; L307-I310 PolarHBondContact O-N 3.39Å; L307-K311 WeakPolarHBondContact O-CB 3.42Å; L307-K311 PolarHBondContact O-N 2.95Å; L307-I317 HydrophobicContact CD2-CD1 4.22Å; L307-I317 WeakPolarHBondContact O-CD1 3.42Å; L307-F330 HydrophobicContact CD1-CD2 4.45Å; L307-F330 HydrophobicContact CD1-CE1 3.97Å; L307-F330 HydrophobicContact CD1-CE2 3.76Å; L307-F330 HydrophobicContact CD1-CZ 3.48Å; L307-F330 VanDerWaalsContact CD1-CZ 3.48Å; L307-F330 HydrophobicContact CD2-CD1 4.27Å; L307-F330 HydrophobicContact CD2-CD2 4.03Å; L307-F330 HydrophobicContact CD2-CE1 4.42Å; L307-F330 HydrophobicContact CD2-CE2 4.16Å; L307-F330 HydrophobicContact CD2-CG 4.08Å; L307-F330 HydrophobicContact CD2-CZ 4.36Å; L307-F341 HydrophobicContact CD2-CD2 4.34Å; L307-F341 HydrophobicContact CD2-CE1 4.43Å; L307-F341 HydrophobicContact CD2-CE2 3.39Å; L307-F341 HydrophobicContact CD2-CZ 3.44Å; L307-F341 VanDerWaalsContact CD2-CZ 3.44Å; L307-F341 HydrophobicContact CG-CE2 4.37Å; L307-F341 HydrophobicContact CG-CZ 4.03Å |
| 308 | S | 58 | Low | 50.2 | Low | 51 Ų | 51 | 64.8 Ų | 64.8 | 36% | 0.357 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 175.1 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | A304 F305 A306 K311 K312 | A304-S308 WeakPolarHBondContact O-CB 3.43Å; A304-S308 PolarHBondContact O-N 3.35Å; F305-S308 WeakPolarHBondContact O-CA 3.47Å; F305-S308 WeakPolarHBondContact O-CB 3.45Å; F305-S308 PolarHBondContact O-N 2.99Å; F305-S308 VanDerWaalsContact O-N 3.09Å; A306-S308 VanDerWaalsContact C-N 3.32Å; A306-S308 PolarHBondContact O-N 3.46Å; S308-K311 WeakPolarHBondContact O-CB 3.31Å; S308-K311 PolarHBondContact O-N 3.05Å; S308-K312 WeakPolarHBondContact O-CG 3.47Å; S308-K312 PolarHBondContact O-N 3.29Å |
| 309 | E | 57.8 | Low | 50.5 | Low | 23 Ų | 23 | 62.3 Ų | 62.3 | 11% | 0.107 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 175.6 | -68.2 | -53.8 | 134.4 | 0 | 0 | 111.8 | F305 A306 K311 K312 F313 | F305-E309 HydrophobicContact CD1-CG 4.12Å; F305-E309 HydrophobicContact CE1-CG 3.91Å; F305-E309 PolarHBondContact O-N 3.11Å; A306-E309 PolarHBondContact O-N 2.88Å; E309-K311 VanDerWaalsContact C-N 3.31Å; E309-K311 PolarHBondContact O-N 3.33Å; E309-K312 PolarHBondContact O-N 3.15Å; E309-K312 IonicContact OE1-NZ 2.68Å; E309-K312 PolarHBondContact OE1-NZ 2.82Å; E309-K312 IonicContact OE2-NZ 3.62Å; E309-F313 PolarHBondContact O-N 2.93Å |
| 310 | I | 54.2 | Low | 50.5 | Low | 11 Ų | 11 | 64.7 Ų | 64.7 | 6% | 0.056 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 172.1 | -66.1 | 158.7 | 0 | 0 | 0 | 110.6 | M257 A306 L307 K312 F313 V314 L332 L339 F341 | M257-I310 HydrophobicContact CE-CB 3.99Å; M257-I310 HydrophobicContact CE-CG1 3.34Å; M257-I310 HydrophobicContact CE-CG2 4.39Å; A306-I310 WeakPolarHBondContact O-CB 3.35Å; A306-I310 VanDerWaalsContact O-CD1 3.3Å; A306-I310 WeakPolarHBondContact O-CD1 3.48Å; A306-I310 WeakPolarHBondContact O-CG1 3.41Å; A306-I310 PolarHBondContact O-N 3.5Å; L307-I310 PolarHBondContact O-N 3.39Å; I310-K312 VanDerWaalsContact C-N 3.31Å; I310-K312 PolarHBondContact O-N 3.26Å; I310-F313 PolarHBondContact O-N 2.9Å; I310-F313 VanDerWaalsContact O-N 3.12Å; I310-V314 HydrophobicContact CG2-CG2 4.08Å; I310-V314 WeakPolarHBondContact O-CG2 3.04Å; I310-V314 PolarHBondContact O-N 2.89Å; I310-L332 HydrophobicContact CG2-CD1 4.49Å; I310-L332 HydrophobicContact CG2-CD2 4.48Å; I310-L339 HydrophobicContact CD1-CD2 3.94Å; I310-F341 HydrophobicContact CD1-CE1 4.41Å; I310-F341 HydrophobicContact CD1-CZ 3.66Å |
| 311 | K | 55.7 | Low | 50.3 | Low | 120 Ų | 120 | 66 Ų | 66 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 178.4 | -170.6 | 175 | 180 | -179.1 | 0 | 111.9 | L307 S308 E309 F313 G315 I317 | L307-K311 WeakPolarHBondContact O-CB 3.42Å; L307-K311 PolarHBondContact O-N 2.95Å; S308-K311 WeakPolarHBondContact O-CB 3.31Å; S308-K311 PolarHBondContact O-N 3.05Å; E309-K311 VanDerWaalsContact C-N 3.31Å; E309-K311 PolarHBondContact O-N 3.33Å; K311-F313 PolarHBondContact O-N 3.21Å; K311-G315 WeakPolarHBondContact CG-O 3.46Å; K311-G315 WeakPolarHBondContact O-CA 3.3Å; K311-G315 PolarHBondContact O-N 3.21Å; K311-I317 HydrophobicContact CB-CD1 3.67Å; K311-I317 HydrophobicContact CB-CG1 4.04Å; K311-I317 HydrophobicContact CG-CD1 4.2Å; K311-I317 HydrophobicContact CG-CG1 4.09Å |
| 312 | K | 61.1 | Low | 49.7 | Very low | 141 Ų | 141 | 65 Ų | 65 | 61% | 0.613 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.3 | -32.9 | 176 | -71.8 | 172.6 | -174.4 | 172.6 | 0 | 112.4 | S308 E309 I310 | S308-K312 WeakPolarHBondContact O-CG 3.47Å; S308-K312 PolarHBondContact O-N 3.29Å; E309-K312 PolarHBondContact O-N 3.15Å; E309-K312 IonicContact OE1-NZ 2.68Å; E309-K312 PolarHBondContact OE1-NZ 2.82Å; E309-K312 IonicContact OE2-NZ 3.62Å; I310-K312 VanDerWaalsContact C-N 3.31Å; I310-K312 PolarHBondContact O-N 3.26Å |
| 313 | F | 52.1 | Low | 49.5 | Very low | 80 Ų | 80 | 66.7 Ų | 66.7 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -89.7 | -39.5 | -179.2 | -87.3 | -89.5 | 0 | 0 | 0 | 113.9 | A253 M257 E309 I310 K311 | A253-F313 HydrophobicContact CB-CE1 4.07Å; M257-F313 HydrophobicContact CB-CD1 4.4Å; M257-F313 HydrophobicContact CB-CD2 4.05Å; M257-F313 HydrophobicContact CB-CE1 4.18Å; M257-F313 HydrophobicContact CB-CE2 3.81Å; M257-F313 HydrophobicContact CB-CG 4.34Å; M257-F313 HydrophobicContact CB-CZ 3.88Å; M257-F313 HydrophobicContact CG-CD2 3.91Å; M257-F313 HydrophobicContact CG-CE2 4.1Å; M257-F313 HydrophobicContact CG-CG 4.29Å; M257-F313 HydrophobicContact SD-CB 4.02Å; M257-F313 HydrophobicContact SD-CD2 4.12Å; M257-F313 HydrophobicContact SD-CG 3.96Å; E309-F313 PolarHBondContact O-N 2.93Å; I310-F313 PolarHBondContact O-N 2.9Å; I310-F313 VanDerWaalsContact O-N 3.12Å; K311-F313 PolarHBondContact O-N 3.21Å |
| 314 | V | 48.8 | Very low | 49 | Very low | 31 Ų | 31 | 77 Ų | 77 | 19% | 0.188 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -99.5 | -4.4 | -171.4 | -166.9 | 0 | 0 | 0 | 0 | 112.8 | I310 R316 L332 | I310-V314 HydrophobicContact CG2-CG2 4.08Å; I310-V314 WeakPolarHBondContact O-CG2 3.04Å; I310-V314 PolarHBondContact O-N 2.89Å; V314-R316 PolarHBondContact O-N 3.16Å; V314-L332 HydrophobicContact CB-CD1 4.42Å; V314-L332 HydrophobicContact CB-CD2 3.96Å; V314-L332 HydrophobicContact CG1-CB 3.8Å; V314-L332 HydrophobicContact CG1-CD1 3.96Å; V314-L332 HydrophobicContact CG1-CD2 3.76Å; V314-L332 HydrophobicContact CG1-CG 4.03Å; V314-L332 HydrophobicContact CG2-CD1 4.35Å |
| 315 | G | 57.1 | Low | 48.5 | Very low | 36 Ų | 36 | 78.8 Ų | 78.8 | 37% | 0.371 | 40% | 0.4 | S | S | . | . | trans | 81.4 | -96.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K311 | K311-G315 WeakPolarHBondContact CG-O 3.46Å; K311-G315 WeakPolarHBondContact O-CA 3.3Å; K311-G315 PolarHBondContact O-N 3.21Å | ||
| 316 | R | 46.8 | Very low | 47.7 | Very low | 160 Ų | 160 | 75 Ų | 75 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | trans | -103.4 | 116.1 | -172.6 | -162.1 | 169 | -179.9 | -162.3 | 8 | 111 | V314 Q333 | V314-R316 PolarHBondContact O-N 3.16Å; R316-Q333 PolarHBondContact O-N 2.95Å | ||
| 317 | I | 48.3 | Very low | 46.9 | Very low | 34 Ų | 34 | 76.6 Ų | 76.6 | 17% | 0.174 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 115.8 | 166.9 | -49.9 | -172 | 0 | 0 | 0 | 107 | L307 K311 F330 L332 | L307-I317 HydrophobicContact CD2-CD1 4.22Å; L307-I317 WeakPolarHBondContact O-CD1 3.42Å; K311-I317 HydrophobicContact CB-CD1 3.67Å; K311-I317 HydrophobicContact CB-CG1 4.04Å; K311-I317 HydrophobicContact CG-CD1 4.2Å; K311-I317 HydrophobicContact CG-CG1 4.09Å; I317-F330 HydrophobicContact CG2-CB 4.04Å; I317-F330 HydrophobicContact CG2-CD1 3.78Å; I317-F330 HydrophobicContact CG2-CG 4.31Å; I317-L332 HydrophobicContact CB-CD2 4.23Å; I317-L332 HydrophobicContact CD1-CD2 4.39Å; I317-L332 HydrophobicContact CG1-CD2 3.65Å; I317-L332 HydrophobicContact CG2-CD2 4.36Å |
| 318 | E | 42.1 | Very low | 46.2 | Very low | 67 Ų | 67 | 80.2 Ų | 80.2 | 31% | 0.313 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 108.1 | 162.4 | -71.9 | -171.9 | 156.9 | 0 | 0 | 107.2 | T320 R331 Q333 | E318-T320 PolarHBondContact O-N 2.9Å; E318-R331 CarbonylContact C-O 3.59Å; E318-R331 WeakPolarHBondContact CA-O 3.43Å; E318-R331 PolarHBondContact N-O 3.5Å; E318-R331 PolarHBondContact O-N 3.24Å; E318-Q333 HydrophobicContact CG-CB 4.39Å; E318-Q333 PolarHBondContact OE1-NE2 2.7Å; E318-Q333 PolarHBondContact OE1-OE1 3.23Å |
| 319 | S | 44.5 | Very low | 45.1 | Very low | 90 Ų | 90 | 80.4 Ų | 80.4 | 63% | 0.629 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 123.7 | 170.3 | 57 | 0 | 0 | 0 | 0 | 108.6 | ||
| 320 | T | 41.9 | Very low | 44.2 | Very low | 66 Ų | 66 | 81 Ų | 81 | 41% | 0.405 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 118.5 | 176.4 | 46.9 | 0 | 0 | 0 | 0 | 111.6 | E318 D329 | E318-T320 PolarHBondContact O-N 2.9Å; T320-D329 CarbonylContact C-O 3.55Å; T320-D329 PolarHBondContact N-O 3.04Å; T320-D329 CarbonylContact O-C 3.56Å; T320-D329 VanDerWaalsContact O-CB 3.31Å; T320-D329 WeakPolarHBondContact O-CB 3.32Å |
| 321 | V | 37.8 | Very low | 43.4 | Very low | 107 Ų | 107 | 87.9 Ų | 87.9 | 65% | 0.648 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 76.3 | 111 | 164 | -165.7 | 0 | 0 | 0 | 0 | 115.8 | N323 D329 | V321-N323 PolarHBondContact O-N 2.67Å; V321-D329 PolarHBondContact O-N 2.93Å |
| 322 | V | 36.2 | Very low | 42.6 | Very low | 92 Ų | 92 | 82.6 Ų | 82.6 | 56% | 0.558 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 110.5 | 153.2 | 176.9 | 0 | 0 | 0 | 0 | 106.1 | H327 Y328 | V322-H327 VanDerWaalsContact CA-O 3.25Å; V322-H327 WeakPolarHBondContact CA-O 3.43Å; V322-Y328 HydrophobicContact CG2-CD1 4.14Å; V322-Y328 HydrophobicContact CG2-CE1 3.91Å |
| 323 | N | 41.9 | Very low | 41.4 | Very low | 55 Ų | 55 | 80.4 Ų | 80.4 | 29% | 0.294 | 40% | 0.399 | S | S | . | . | trans | -64.3 | 152.5 | 169.9 | -169.9 | 4.5 | 0 | 0 | 0 | 108.5 | V321 D325 G326 H327 | V321-N323 PolarHBondContact O-N 2.67Å; N323-D325 PolarHBondContact ND2-OD2 3.03Å; N323-D325 PolarHBondContact O-N 3.21Å; N323-G326 PolarHBondContact O-N 3.41Å; N323-H327 HydrophobicContact CB-CB 4.06Å; N323-H327 PolarHBondContact N-O 3.06Å | ||
| 324 | R | 37.4 | Very low | 40.6 | Very low | 246 Ų | 246 | 84.7 Ų | 84.7 | 93% | 0.928 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -18.8 | 177.4 | -77.6 | -176 | 177.7 | 175.7 | 0.2 | 113.2 | ||
| 325 | D | 38.9 | Very low | 40 | Very low | 98 Ų | 98 | 85.5 Ų | 85.5 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 7.7 | 178.1 | -53.4 | -48.6 | 0 | 0 | 0 | 114.9 | N323 | N323-D325 PolarHBondContact ND2-OD2 3.03Å; N323-D325 PolarHBondContact O-N 3.21Å |
| 326 | G | 35.7 | Very low | 38.8 | Very low | 20 Ų | 20 | 92.3 Ų | 92.3 | 21% | 0.206 | 45% | 0.452 | C | S | . | . | S | Bend | trans | 81.4 | 17.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | N323 | N323-G326 PolarHBondContact O-N 3.41Š|
| 327 | H | 37 | Very low | 38 | Very low | 56 Ų | 56 | 88 Ų | 88 | 26% | 0.259 | 44% | 0.438 | S | S | . | . | trans | -81.1 | 138.8 | 174.3 | -60.8 | -65.4 | 0 | 0 | 0 | 111.1 | V322 N323 | V322-H327 VanDerWaalsContact CA-O 3.25Å; V322-H327 WeakPolarHBondContact CA-O 3.43Å; N323-H327 HydrophobicContact CB-CB 4.06Å; N323-H327 PolarHBondContact N-O 3.06Å | ||
| 328 | Y | 36.3 | Very low | 37.2 | Very low | 101 Ų | 101 | 89.6 Ų | 89.6 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 116.3 | 173.5 | -69.8 | -90.2 | 0 | 0 | 0 | 109.6 | V322 | V322-Y328 HydrophobicContact CG2-CD1 4.14Å; V322-Y328 HydrophobicContact CG2-CE1 3.91Å |
| 329 | D | 36.8 | Very low | 36.6 | Very low | 55 Ų | 55 | 88.1 Ų | 88.1 | 29% | 0.294 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.3 | 172.2 | -69.1 | -31.9 | 0 | 0 | 0 | 110.8 | T320 V321 | T320-D329 CarbonylContact C-O 3.55Å; T320-D329 PolarHBondContact N-O 3.04Å; T320-D329 CarbonylContact O-C 3.56Å; T320-D329 VanDerWaalsContact O-CB 3.31Å; T320-D329 WeakPolarHBondContact O-CB 3.32Å; V321-D329 PolarHBondContact O-N 2.93Å |
| 330 | F | 38.8 | Very low | 36 | Very low | 36 Ų | 36 | 88 Ų | 88 | 16% | 0.158 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.3 | 177.3 | -64.1 | -83.8 | 0 | 0 | 0 | 109.6 | L307 I317 F341 | L307-F330 HydrophobicContact CD1-CD2 4.45Å; L307-F330 HydrophobicContact CD1-CE1 3.97Å; L307-F330 HydrophobicContact CD1-CE2 3.76Å; L307-F330 HydrophobicContact CD1-CZ 3.48Å; L307-F330 VanDerWaalsContact CD1-CZ 3.48Å; L307-F330 HydrophobicContact CD2-CD1 4.27Å; L307-F330 HydrophobicContact CD2-CD2 4.03Å; L307-F330 HydrophobicContact CD2-CE1 4.42Å; L307-F330 HydrophobicContact CD2-CE2 4.16Å; L307-F330 HydrophobicContact CD2-CG 4.08Å; L307-F330 HydrophobicContact CD2-CZ 4.36Å; I317-F330 HydrophobicContact CG2-CB 4.04Å; I317-F330 HydrophobicContact CG2-CD1 3.78Å; I317-F330 HydrophobicContact CG2-CG 4.31Å; F330-F341 AromaticContact CD2-CD2 3.59Å; F330-F341 HydrophobicContact CD2-CD2 3.59Å; F330-F341 AromaticContact CD2-CE2 3.97Å; F330-F341 HydrophobicContact CD2-CE2 3.97Å; F330-F341 HydrophobicContact CD2-CG 4.42Å; F330-F341 HydrophobicContact CE2-CD2 4.28Å; F330-F341 HydrophobicContact CG-CD2 4.45Å |
| 331 | R | 36.5 | Very low | 35.5 | Very low | 155 Ų | 155 | 87.1 Ų | 87.1 | 59% | 0.585 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 135.5 | 176.2 | -167.1 | 175.1 | -177 | 171.8 | 1.2 | 109.8 | E318 | E318-R331 CarbonylContact C-O 3.59Å; E318-R331 WeakPolarHBondContact CA-O 3.43Å; E318-R331 PolarHBondContact N-O 3.5Å; E318-R331 PolarHBondContact O-N 3.24Å |
| 332 | L | 38.5 | Very low | 35 | Very low | 8 Ų | 8 | 87 Ų | 87 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.4 | 179.7 | -65.8 | 163.4 | 0 | 0 | 0 | 108.7 | I310 V314 I317 F337 L339 | I310-L332 HydrophobicContact CG2-CD1 4.49Å; I310-L332 HydrophobicContact CG2-CD2 4.48Å; V314-L332 HydrophobicContact CB-CD1 4.42Å; V314-L332 HydrophobicContact CB-CD2 3.96Å; V314-L332 HydrophobicContact CG1-CB 3.8Å; V314-L332 HydrophobicContact CG1-CD1 3.96Å; V314-L332 HydrophobicContact CG1-CD2 3.76Å; V314-L332 HydrophobicContact CG1-CG 4.03Å; V314-L332 HydrophobicContact CG2-CD1 4.35Å; I317-L332 HydrophobicContact CB-CD2 4.23Å; I317-L332 HydrophobicContact CD1-CD2 4.39Å; I317-L332 HydrophobicContact CG1-CD2 3.65Å; I317-L332 HydrophobicContact CG2-CD2 4.36Å; L332-F337 HydrophobicContact CB-CB 4.34Å; L332-F337 HydrophobicContact CD1-CB 4.19Å; L332-L339 HydrophobicContact CD1-CB 3.86Å; L332-L339 HydrophobicContact CD1-CD1 3.63Å; L332-L339 HydrophobicContact CD1-CG 4.35Å |
| 333 | Q | 36.3 | Very low | 34.7 | Very low | 96 Ų | 96 | 85.1 Ų | 85.1 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -87.8 | -14.5 | -167.2 | -161.4 | 174.5 | 26 | 0 | 0 | 113.8 | R316 E318 | R316-Q333 PolarHBondContact O-N 2.95Å; E318-Q333 HydrophobicContact CG-CB 4.39Å; E318-Q333 PolarHBondContact OE1-NE2 2.7Å; E318-Q333 PolarHBondContact OE1-OE1 3.23Å |
| 334 | K | 35.9 | Very low | 34 | Very low | 169 Ų | 169 | 84.1 Ų | 84.1 | 74% | 0.735 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -99.3 | 4.9 | -165.4 | -121.2 | -175.7 | -179.5 | -171.8 | 0 | 116.3 | ||
| 335 | S | 34.4 | Very low | 33.4 | Very low | 49 Ų | 49 | 80.7 Ų | 80.7 | 34% | 0.343 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -176.3 | 163.8 | -179.3 | 34.3 | 0 | 0 | 0 | 0 | 107.9 | F337 | S335-F337 PolarHBondContact O-N 3.31Å; S335-F337 WeakPolarHBondContact OG-CD2 3.28Å; S335-F337 WeakPolarHBondContact OG-CE2 3.19Å |
| 336 | N | 32.3 | Very low | 32.9 | Very low | 179 Ų | 179 | 80.3 Ų | 80.3 | 96% | 0.957 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -64.3 | 26.1 | -174.8 | -70.1 | -22 | 0 | 0 | 0 | 115 | ||
| 337 | F | 31.4 | Very low | 32.4 | Very low | 70 Ų | 70 | 89.5 Ų | 89.5 | 31% | 0.307 | 41% | 0.409 | S | S | . | . | trans | -85.2 | 124.2 | -179.6 | -62.4 | -98.4 | 0 | 0 | 0 | 110.4 | L246 L332 S335 | L246-F337 HydrophobicContact CD2-CD1 4.47Å; L246-F337 HydrophobicContact CD2-CE1 3.64Å; L246-F337 HydrophobicContact CD2-CZ 4.45Å; L332-F337 HydrophobicContact CB-CB 4.34Å; L332-F337 HydrophobicContact CD1-CB 4.19Å; S335-F337 PolarHBondContact O-N 3.31Å; S335-F337 WeakPolarHBondContact OG-CD2 3.28Å; S335-F337 WeakPolarHBondContact OG-CE2 3.19Å | ||
| 338 | V | 29.6 | Very low | 32 | Very low | 66 Ų | 66 | 94.9 Ų | 94.9 | 40% | 0.4 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.4 | 161.1 | -175.5 | 0 | 0 | 0 | 0 | 106.6 | F340 | V338-F340 HydrophobicContact CB-CE2 4Å; V338-F340 HydrophobicContact CB-CZ 4.41Å; V338-F340 HydrophobicContact CG1-CD2 3.97Å; V338-F340 HydrophobicContact CG1-CE1 4.02Å; V338-F340 HydrophobicContact CG1-CE2 3.43Å; V338-F340 VanDerWaalsContact CG1-CE2 3.43Å; V338-F340 HydrophobicContact CG1-CG 4.49Å; V338-F340 HydrophobicContact CG1-CZ 3.46Å; V338-F340 VanDerWaalsContact CG1-CZ 3.46Å |
| 339 | L | 31.2 | Very low | 31.4 | Very low | 37 Ų | 37 | 94.4 Ų | 94.4 | 19% | 0.194 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 105.7 | 179.5 | -134 | 115.6 | 0 | 0 | 0 | 107.9 | I310 L332 F341 | I310-L339 HydrophobicContact CD1-CD2 3.94Å; L332-L339 HydrophobicContact CD1-CB 3.86Å; L332-L339 HydrophobicContact CD1-CD1 3.63Å; L332-L339 HydrophobicContact CD1-CG 4.35Å; L339-F341 HydrophobicContact CB-CE2 4.48Å; L339-F341 HydrophobicContact CD2-CD2 4.28Å; L339-F341 HydrophobicContact CD2-CE1 4.43Å; L339-F341 HydrophobicContact CD2-CE2 3.5Å; L339-F341 HydrophobicContact CD2-CZ 3.6Å |
| 340 | F | 30.2 | Very low | 31.1 | Very low | 87 Ų | 87 | 104 Ų | 104 | 38% | 0.382 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 115.5 | 175.8 | -68.5 | -80 | 0 | 0 | 0 | 110.2 | L172 Y244 V338 L342 | L172-F340 HydrophobicContact CD1-CE1 4.35Å; Y244-F340 WeakPolarHBondContact OH-CD2 3.29Å; V338-F340 HydrophobicContact CB-CE2 4Å; V338-F340 HydrophobicContact CB-CZ 4.41Å; V338-F340 HydrophobicContact CG1-CD2 3.97Å; V338-F340 HydrophobicContact CG1-CE1 4.02Å; V338-F340 HydrophobicContact CG1-CE2 3.43Å; V338-F340 VanDerWaalsContact CG1-CE2 3.43Å; V338-F340 HydrophobicContact CG1-CG 4.49Å; V338-F340 HydrophobicContact CG1-CZ 3.46Å; V338-F340 VanDerWaalsContact CG1-CZ 3.46Å; F340-L342 PolarHBondContact O-N 2.68Å |
| 341 | F | 31.7 | Very low | 30.7 | Very low | 48 Ų | 48 | 107.4 Ų | 107.4 | 21% | 0.211 | 51% | 0.508 | C | S | . | . | trans | -88.4 | 97.9 | 166.5 | -72.3 | -91.5 | 0 | 0 | 0 | 108.7 | L307 I310 F330 L339 | L307-F341 HydrophobicContact CD2-CD2 4.34Å; L307-F341 HydrophobicContact CD2-CE1 4.43Å; L307-F341 HydrophobicContact CD2-CE2 3.39Å; L307-F341 HydrophobicContact CD2-CZ 3.44Å; L307-F341 VanDerWaalsContact CD2-CZ 3.44Å; L307-F341 HydrophobicContact CG-CE2 4.37Å; L307-F341 HydrophobicContact CG-CZ 4.03Å; I310-F341 HydrophobicContact CD1-CE1 4.41Å; I310-F341 HydrophobicContact CD1-CZ 3.66Å; F330-F341 AromaticContact CD2-CD2 3.59Å; F330-F341 HydrophobicContact CD2-CD2 3.59Å; F330-F341 AromaticContact CD2-CE2 3.97Å; F330-F341 HydrophobicContact CD2-CE2 3.97Å; F330-F341 HydrophobicContact CD2-CG 4.42Å; F330-F341 HydrophobicContact CE2-CD2 4.28Å; F330-F341 HydrophobicContact CG-CD2 4.45Å; L339-F341 HydrophobicContact CB-CE2 4.48Å; L339-F341 HydrophobicContact CD2-CD2 4.28Å; L339-F341 HydrophobicContact CD2-CE1 4.43Å; L339-F341 HydrophobicContact CD2-CE2 3.5Å; L339-F341 HydrophobicContact CD2-CZ 3.6Å | ||
| 342 | L | 28.9 | Very low | 30.4 | Very low | 104 Ų | 104 | 104.9 Ų | 104.9 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | trans | -83.2 | 129.5 | 171.8 | -138 | 89.2 | 0 | 0 | 0 | 109.8 | L287 F340 | L287-L342 VanDerWaalsContact CB-O 3.3Å; L287-L342 WeakPolarHBondContact CB-O 2.94Å; F340-L342 PolarHBondContact O-N 2.68Å | ||
| 343 | N | 28.3 | Very low | 29.9 | Very low | 52 Ų | 52 | 110.3 Ų | 110.3 | 28% | 0.278 | 53% | 0.53 | S | S | . | . | trans | 83.8 | 87.4 | 167 | -98.4 | -33.8 | 0 | 0 | 0 | 119.8 | L287 | L287-N343 HydrophobicContact CD2-CB 4.4Å; L287-N343 WeakPolarHBondContact CD2-O 3.41Å | ||
| 344 | I | 27.3 | Very low | 29.6 | Very low | 34 Ų | 34 | 111.1 Ų | 111.1 | 17% | 0.174 | 54% | 0.535 | C | S | . | . | trans | -124.6 | 104.6 | 135.5 | -48.3 | 173.2 | 0 | 0 | 0 | 107.3 | L300 I303 H346 | L300-I344 HydrophobicContact CD2-CD1 4.34Å; I303-I344 HydrophobicContact CD1-CD1 3.21Å; I303-I344 HydrophobicContact CD1-CG1 3.55Å; I344-H346 PolarHBondContact O-N 3.38Å; I344-H346 VanDerWaalsContact O-N 3.14Å | ||
| 345 | R | 25.8 | Very low | 29.2 | Very low | 175 Ų | 175 | 107.5 Ų | 107.5 | 66% | 0.66 | 52% | 0.522 | S | S | * | . | trans | -81 | 91.4 | 171.4 | -147.4 | -178.1 | -165 | 174.8 | 6.7 | 108.1 | R347 | R345-R347 PolarHBondContact O-N 2.77Š| ||
| 346 | H | 27.4 | Very low | 28.8 | Very low | 89 Ų | 89 | 111.4 Ų | 111.4 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | trans | -87.2 | 92 | 172.3 | -139.3 | -75.8 | 0 | 0 | 0 | 108.7 | I344 F348 | I344-H346 PolarHBondContact O-N 3.38Å; I344-H346 VanDerWaalsContact O-N 3.14Å; H346-F348 AromaticContact CE1-CE1 3.95Å; H346-F348 AromaticContact CE1-CE2 3.65Å; H346-F348 AromaticContact CE1-CZ 3.52Å; H346-F348 AromaticContact CG-CE2 4Å; H346-F348 AromaticContact ND1-CD2 3.45Å; H346-F348 WeakPolarHBondContact ND1-CD2 3.04Å; H346-F348 AromaticContact ND1-CE2 3.22Å; H346-F348 WeakPolarHBondContact ND1-CE2 3.03Å; H346-F348 AromaticContact ND1-CZ 3.6Å; H346-F348 PolarHBondContact O-N 2.75Å | ||
| 347 | R | 26.5 | Very low | 28.6 | Very low | 214 Ų | 214 | 106.6 Ų | 106.6 | 81% | 0.808 | 50% | 0.504 | S | S | * | . | trans | -76 | 99.6 | 159.9 | -93.6 | -169.2 | -170.7 | 178.9 | 4 | 107 | R345 A349 | R345-R347 PolarHBondContact O-N 2.77Å; R347-A349 VanDerWaalsContact C-N 3.34Å; R347-A349 PolarHBondContact O-N 2.8Å; R347-A349 VanDerWaalsContact O-N 3.09Å | ||
| 348 | F | 28.4 | Very low | 28.4 | Very low | 168 Ų | 168 | 109.4 Ų | 109.4 | 74% | 0.737 | 52% | 0.519 | S | S | * | . | trans | -66.2 | 102.9 | 153.8 | -79.6 | -82.2 | 0 | 0 | 0 | 106.9 | H346 H350 | H346-F348 AromaticContact CE1-CE1 3.95Å; H346-F348 AromaticContact CE1-CE2 3.65Å; H346-F348 AromaticContact CE1-CZ 3.52Å; H346-F348 AromaticContact CG-CE2 4Å; H346-F348 AromaticContact ND1-CD2 3.45Å; H346-F348 WeakPolarHBondContact ND1-CD2 3.04Å; H346-F348 AromaticContact ND1-CE2 3.22Å; H346-F348 WeakPolarHBondContact ND1-CE2 3.03Å; H346-F348 AromaticContact ND1-CZ 3.6Å; H346-F348 PolarHBondContact O-N 2.75Å; F348-H350 PolarHBondContact O-N 3.43Å | ||
| 349 | A | 24 | Very low | 28.3 | Very low | 92 Ų | 92 | 113 Ų | 113 | 76% | 0.76 | 53% | 0.529 | S | S | * | . | trans | -71.7 | 113.4 | 153.3 | 0 | 0 | 0 | 0 | 0 | 106 | R347 | R347-A349 VanDerWaalsContact C-N 3.34Å; R347-A349 PolarHBondContact O-N 2.8Å; R347-A349 VanDerWaalsContact O-N 3.09Å | ||
| 350 | H | 29.4 | Very low | 28 | Very low | 256 Ų | 256 | 119.9 Ų | 119.9 | 100% | 1.185 | 56% | 0.559 | S | S | * | * | trans | -77.2 | 0 | 141.2 | -83.6 | -59.1 | 0 | 0 | 0 | 108.2 | F348 | F348-H350 PolarHBondContact O-N 3.43Š|
Retrieved 350 of 350 residues in 57.9 ms
(Link to these results)