| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.4 | Very low | 74.7 | Confident | 247 Ų | 247 | 78.9 Ų | 78.9 | 100% | 1.217 | 40% | 0.401 | S | S | * | . | 0 | 144.2 | 0 | -64.2 | -158.7 | -133.5 | 0 | 0 | 107.8 | Q3 | M1-Q3 PolarHBondContact O-N 3.06Š| |||
| 2 | A | 37.3 | Very low | 76.6 | Confident | 94 Ų | 94 | 77.7 Ų | 77.7 | 78% | 0.777 | 39% | 0.393 | S | S | * | . | trans | -57.3 | 126 | -163.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R4 | A2-R4 VanDerWaalsContact C-N 3.35Å; A2-R4 PolarHBondContact O-N 3.44Å | ||
| 3 | Q | 48.8 | Very low | 78.2 | Confident | 141 Ų | 141 | 73.1 Ų | 73.1 | 66% | 0.659 | 38% | 0.377 | S | S | * | . | trans | -54.1 | 106.5 | 160.2 | -179.9 | 139.7 | 17.8 | 0 | 0 | 106 | M1 S5 | M1-Q3 PolarHBondContact O-N 3.06Å; Q3-S5 PolarHBondContact O-N 2.86Å | ||
| 4 | R | 54.3 | Low | 79.6 | Confident | 226 Ų | 226 | 73.4 Ų | 73.4 | 85% | 0.853 | 37% | 0.374 | S | S | * | . | trans | -57.3 | 109.6 | 171.8 | -74.7 | -175.2 | 169.2 | -153.2 | -3.3 | 105 | A2 G6 | A2-R4 VanDerWaalsContact C-N 3.35Å; A2-R4 PolarHBondContact O-N 3.44Å; R4-G6 PolarHBondContact O-N 3.42Å | ||
| 5 | S | 70.1 | Confident | 80.8 | Confident | 77 Ų | 77 | 76.9 Ų | 76.9 | 54% | 0.538 | 39% | 0.388 | S | S | . | . | trans | -55.7 | 111.4 | 173.4 | 170.4 | 0 | 0 | 0 | 0 | 106.1 | Q3 S46 | Q3-S5 PolarHBondContact O-N 2.86Å; S5-S46 PolarHBondContact O-OG 3.06Å | ||
| 6 | G | 86.9 | Confident | 81.9 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | trans | -70.1 | 153.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | R4 F24 S46 W49 | R4-G6 PolarHBondContact O-N 3.42Å; G6-F24 CarbonylContact O-C 3.52Å; G6-F24 VanDerWaalsContact O-CA 3.29Å; G6-F24 WeakPolarHBondContact O-CA 3.43Å; G6-S46 VanDerWaalsContact CA-O 3.27Å; G6-S46 WeakPolarHBondContact CA-O 3.45Å; G6-S46 WeakPolarHBondContact CA-OG 3.41Å; G6-W49 VanDerWaalsContact C-CZ2 3.48Å | ||
| 7 | K | 95.8 | Very high | 82.8 | Confident | 39 Ų | 39 | 76.6 Ų | 76.6 | 17% | 0.17 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 129.2 | 169.2 | -177.2 | -174.2 | 173.5 | -165.1 | 0 | 109.8 | V23 F24 E45 S46 | K7-V23 WeakPolarHBondContact CA-O 3.45Å; K7-F24 HydrophobicContact CB-CD1 4.18Å; K7-F24 HydrophobicContact CB-CE1 4.29Å; K7-F24 HydrophobicContact CD-CD1 4.34Å; K7-F24 HydrophobicContact CD-CE1 3.63Å; K7-F24 HydrophobicContact CD-CZ 4.14Å; K7-F24 HydrophobicContact CG-CD1 4.02Å; K7-F24 HydrophobicContact CG-CE1 3.74Å; K7-F24 HydrophobicContact CG-CZ 4.27Å; K7-E45 HydrophobicContact CB-CB 4.23Å; K7-E45 HydrophobicContact CD-CB 4.2Å; K7-E45 HydrophobicContact CD-CG 4.4Å; K7-E45 WeakPolarHBondContact CD-OE2 3.29Å; K7-E45 VanDerWaalsContact CE-OE2 3.3Å; K7-E45 WeakPolarHBondContact CE-OE2 3.45Å; K7-E45 HydrophobicContact CG-CB 4.37Å; K7-E45 IonicContact NZ-OE1 3.65Å; K7-E45 PolarHBondContact NZ-OE1 2.88Å; K7-E45 IonicContact NZ-OE2 3.9Å; K7-E45 PolarHBondContact NZ-OE2 3.44Å; K7-E45 PolarHBondContact O-N 2.9Å; K7-S46 PolarHBondContact N-O 3.15Å; K7-S46 VanDerWaalsContact N-O 3.1Å; K7-S46 PolarHBondContact N-OG 2.94Å; K7-S46 PolarHBondContact O-N 3.05Å |
| 8 | I | 98.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.2 | 174.4 | -172.5 | 170.2 | 0 | 0 | 0 | 109.2 | L10 V23 I42 V44 W49 L64 | I8-L10 HydrophobicContact CG2-CD1 4.4Å; I8-V23 HydrophobicContact CG2-CB 3.73Å; I8-V23 HydrophobicContact CG2-CG1 4.49Å; I8-V23 HydrophobicContact CG2-CG2 4.46Å; I8-V23 PolarHBondContact N-O 3.21Å; I8-V23 PolarHBondContact O-N 3.31Å; I8-I42 HydrophobicContact CD1-CG2 3.7Å; I8-I42 HydrophobicContact CG1-CG2 3.63Å; I8-V44 HydrophobicContact CD1-CG2 4.03Å; I8-V44 HydrophobicContact CG1-CG2 4.06Å; I8-W49 HydrophobicContact CB-CD2 3.81Å; I8-W49 HydrophobicContact CB-CE3 4.3Å; I8-W49 HydrophobicContact CB-CG 4.11Å; I8-W49 HydrophobicContact CB-CH2 4.49Å; I8-W49 HydrophobicContact CB-CZ2 4.03Å; I8-W49 HydrophobicContact CD1-CB 3.98Å; I8-W49 HydrophobicContact CD1-CD2 4.22Å; I8-W49 HydrophobicContact CD1-CG 3.95Å; I8-W49 HydrophobicContact CG2-CD2 3.57Å; I8-W49 HydrophobicContact CG2-CE3 3.55Å; I8-W49 HydrophobicContact CG2-CG 4.32Å; I8-W49 HydrophobicContact CG2-CH2 3.58Å; I8-W49 HydrophobicContact CG2-CZ2 3.6Å; I8-W49 HydrophobicContact CG2-CZ3 3.55Å; I8-L64 HydrophobicContact CD1-CD1 4.12Å |
| 9 | T | 98.6 | Very high | 84.3 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 2% | 0.018 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 121.8 | 173.4 | -49.5 | 0 | 0 | 0 | 0 | 109 | Y11 K20 L21 E22 I42 H43 | T9-Y11 HydrophobicContact CG2-CD2 4.18Å; T9-Y11 HydrophobicContact CG2-CE1 4.21Å; T9-Y11 HydrophobicContact CG2-CE2 3.45Å; T9-Y11 VanDerWaalsContact CG2-CE2 3.45Å; T9-Y11 VanDerWaalsContact CG2-CZ 3.47Å; T9-K20 HydrophobicContact CG2-CB 4.05Å; T9-K20 HydrophobicContact CG2-CD 4.03Å; T9-L21 CarbonylContact C-O 3.47Å; T9-L21 WeakPolarHBondContact CA-O 3.16Å; T9-E22 HydrophobicContact CG2-CG 3.83Å; T9-I42 WeakPolarHBondContact O-CA 3.44Å; T9-H43 PolarHBondContact N-O 3.41Å; T9-H43 PolarHBondContact O-N 2.95Å |
| 10 | L | 98.4 | Very high | 85 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140.4 | 176.5 | -51.1 | 100.1 | 0 | 0 | 0 | 109.3 | I8 K20 L21 V23 F30 F35 V39 I42 M82 | I8-L10 HydrophobicContact CG2-CD1 4.4Å; L10-K20 CarbonylContact O-C 3.52Å; L10-K20 WeakPolarHBondContact O-CA 3.21Å; L10-L21 HydrophobicContact CD1-CB 4.42Å; L10-L21 HydrophobicContact CD1-CD2 4.28Å; L10-L21 HydrophobicContact CD1-CG 4.32Å; L10-L21 PolarHBondContact N-O 2.86Å; L10-L21 PolarHBondContact O-N 2.88Å; L10-V23 HydrophobicContact CD1-CG2 3.92Å; L10-F30 HydrophobicContact CD1-CZ 4.4Å; L10-F30 HydrophobicContact CD2-CE2 3.73Å; L10-F30 HydrophobicContact CD2-CZ 3.76Å; L10-F35 HydrophobicContact CB-CZ 4.48Å; L10-V39 HydrophobicContact CB-CG1 4.11Å; L10-V39 HydrophobicContact CB-CG2 4.07Å; L10-V39 HydrophobicContact CD2-CG1 4.05Å; L10-V39 HydrophobicContact CD2-CG2 3.8Å; L10-I42 HydrophobicContact CD2-CD1 4.42Å; L10-M82 HydrophobicContact CD2-SD 4.21Å |
| 11 | Y | 98.5 | Very high | 85.7 | Confident | 38 Ų | 38 | 75 Ų | 75 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.7 | -176.9 | -63.5 | -97.9 | 0 | 0 | 0 | 111.2 | T9 F16 K20 V39 N40 S41 H43 | T9-Y11 HydrophobicContact CG2-CD2 4.18Å; T9-Y11 HydrophobicContact CG2-CE1 4.21Å; T9-Y11 HydrophobicContact CG2-CE2 3.45Å; T9-Y11 VanDerWaalsContact CG2-CE2 3.45Å; T9-Y11 VanDerWaalsContact CG2-CZ 3.47Å; Y11-F16 VanDerWaalsContact CD1-C 3.49Å; Y11-F16 HydrophobicContact CD1-CB 4.21Å; Y11-F16 HydrophobicContact CD2-CB 4.25Å; Y11-F16 AromaticContact CD2-CD1 3.93Å; Y11-F16 HydrophobicContact CD2-CD1 3.93Å; Y11-F16 HydrophobicContact CE1-CB 4.02Å; Y11-F16 HydrophobicContact CE2-CB 4.08Å; Y11-F16 AromaticContact CE2-CD1 3.89Å; Y11-F16 HydrophobicContact CE2-CD1 3.89Å; Y11-F16 HydrophobicContact CE2-CG 4.43Å; Y11-F16 HydrophobicContact CG-CB 4.31Å; Y11-K20 HydrophobicContact CD1-CB 3.74Å; Y11-K20 HydrophobicContact CE1-CB 3.81Å; Y11-K20 HydrophobicContact CE1-CD 4.12Å; Y11-K20 HydrophobicContact CG-CB 4.38Å; Y11-V39 WeakPolarHBondContact O-CA 3.27Å; Y11-N40 PolarHBondContact O-N 3.22Å; Y11-S41 WeakPolarHBondContact CB-OG 3.29Å; Y11-S41 PolarHBondContact N-O 2.96Å; Y11-S41 PolarHBondContact O-N 3.34Å; Y11-H43 HydrophobicContact CE2-CB 4.12Å |
| 12 | E | 97.8 | Very high | 88.7 | Confident | 64 Ų | 64 | 66.4 Ų | 66.4 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -66.4 | -37.6 | 177.5 | -169 | -166.3 | 175 | 0 | 0 | 112.1 | Q19 F35 R38 N40 | E12-Q19 HydrophobicContact CB-CB 4.3Å; E12-Q19 PolarHBondContact N-O 3Å; E12-F35 HydrophobicContact CB-CE2 4.47Å; E12-F35 HydrophobicContact CB-CZ 4.46Å; E12-R38 WeakPolarHBondContact CA-O 3.39Å; E12-R38 HydrophobicContact CG-CB 4.27Å; E12-R38 HydrophobicContact CG-CG 4.24Å; E12-R38 IonicContact OE1-NH1 3.94Å; E12-N40 VanDerWaalsContact O-CB 3.29Å; E12-N40 WeakPolarHBondContact O-CB 3.3Å; E12-N40 PolarHBondContact O-ND2 2.89Å |
| 13 | G | 97.5 | Very high | 91.6 | Very high | 18 Ų | 18 | 62 Ų | 62 | 19% | 0.186 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -93.6 | 166.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T17 N40 S41 | G13-T17 VanDerWaalsContact CA-O 3.3Å; G13-T17 WeakPolarHBondContact CA-O 3.37Å; G13-T17 PolarHBondContact N-O 3.1Å; G13-N40 VanDerWaalsContact C-CB 3.48Å; G13-S41 PolarHBondContact O-N 3.24Å; G13-S41 PolarHBondContact O-OG 2.9Å |
| 14 | K | 97.7 | Very high | 93.7 | Very high | 77 Ų | 77 | 60.7 Ų | 60.7 | 34% | 0.335 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -72.1 | 161.1 | 168.9 | -65.4 | -171 | 177.7 | -158.7 | 0 | 110.4 | F16 T17 N40 D71 | K14-F16 PolarHBondContact O-N 2.95Å; K14-T17 PolarHBondContact O-N 3.45Å; K14-T17 PolarHBondContact O-OG1 2.68Å; K14-N40 HydrophobicContact CG-CB 3.91Å; K14-D71 WeakPolarHBondContact CE-OD1 3.37Å; K14-D71 IonicContact NZ-OD1 2.75Å; K14-D71 PolarHBondContact NZ-OD1 3.04Å; K14-D71 IonicContact NZ-OD2 3.52Å; K14-D71 PolarHBondContact NZ-OD2 3.25Å |
| 15 | H | 97.9 | Very high | 95.6 | Very high | 127 Ų | 127 | 51.1 Ų | 51.1 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | 51.8 | 38.9 | 177 | -53.7 | -76.9 | 0 | 0 | 0 | 113.8 | T17 P70 | H15-T17 PolarHBondContact O-N 2.88Å; H15-P70 PolarHBondContact N-O 3.26Å |
| 16 | F | 97.9 | Very high | 96.8 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 31% | 0.311 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | 64.2 | 39.3 | 173.8 | -37.3 | -65 | 0 | 0 | 0 | 114.1 | Y11 K14 S41 I42 H43 D68 P70 | Y11-F16 VanDerWaalsContact CD1-C 3.49Å; Y11-F16 HydrophobicContact CD1-CB 4.21Å; Y11-F16 HydrophobicContact CD2-CB 4.25Å; Y11-F16 AromaticContact CD2-CD1 3.93Å; Y11-F16 HydrophobicContact CD2-CD1 3.93Å; Y11-F16 HydrophobicContact CE1-CB 4.02Å; Y11-F16 HydrophobicContact CE2-CB 4.08Å; Y11-F16 AromaticContact CE2-CD1 3.89Å; Y11-F16 HydrophobicContact CE2-CD1 3.89Å; Y11-F16 HydrophobicContact CE2-CG 4.43Å; Y11-F16 HydrophobicContact CG-CB 4.31Å; K14-F16 PolarHBondContact O-N 2.95Å; F16-S41 WeakPolarHBondContact CA-OG 3.37Å; F16-S41 PolarHBondContact N-OG 2.94Å; F16-I42 WeakPolarHBondContact CE1-O 3.39Å; F16-H43 HydrophobicContact CD1-CB 4.49Å; F16-H43 HydrophobicContact CE1-CB 4.43Å; F16-D68 HydrophobicContact CZ-CB 3.9Å; F16-P70 HydrophobicContact CE2-CB 4.34Å; F16-P70 HydrophobicContact CZ-CB 4.12Å |
| 17 | T | 97.9 | Very high | 97.3 | Very high | 78 Ų | 78 | 52.1 Ų | 52.1 | 48% | 0.479 | 27% | 0.274 | S | S | . | . | trans | -111.2 | 164.2 | -178.8 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | G13 K14 H15 | G13-T17 VanDerWaalsContact CA-O 3.3Å; G13-T17 WeakPolarHBondContact CA-O 3.37Å; G13-T17 PolarHBondContact N-O 3.1Å; K14-T17 PolarHBondContact O-N 3.45Å; K14-T17 PolarHBondContact O-OG1 2.68Å; H15-T17 PolarHBondContact O-N 2.88Å | ||
| 18 | G | 97 | Very high | 97.3 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 65% | 0.649 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 82.6 | -159.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 19 | Q | 97.5 | Very high | 97.3 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -62.6 | 141.9 | 174.5 | -170.3 | -177.7 | 9.4 | 0 | 0 | 109.7 | E12 G34 F35 | E12-Q19 HydrophobicContact CB-CB 4.3Å; E12-Q19 PolarHBondContact N-O 3Å; Q19-G34 PolarHBondContact NE2-O 3.14Å; Q19-F35 HydrophobicContact CG-CD2 4.28Å |
| 20 | K | 97.9 | Very high | 97.3 | Very high | 110 Ų | 110 | 55.3 Ų | 55.3 | 48% | 0.478 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 151.8 | 176.3 | 67.9 | 171.6 | -179.4 | 164.7 | 0 | 112.4 | T9 L10 Y11 E22 | T9-K20 HydrophobicContact CG2-CB 4.05Å; T9-K20 HydrophobicContact CG2-CD 4.03Å; L10-K20 CarbonylContact O-C 3.52Å; L10-K20 WeakPolarHBondContact O-CA 3.21Å; Y11-K20 HydrophobicContact CD1-CB 3.74Å; Y11-K20 HydrophobicContact CE1-CB 3.81Å; Y11-K20 HydrophobicContact CE1-CD 4.12Å; Y11-K20 HydrophobicContact CG-CB 4.38Å; K20-E22 WeakPolarHBondContact CE-OE1 3.31Å; K20-E22 IonicContact NZ-OE1 2.95Å; K20-E22 PolarHBondContact NZ-OE1 2.69Å |
| 21 | L | 98.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.3 | 171.2 | 174.8 | 62.3 | 0 | 0 | 0 | 109 | T9 L10 V23 F30 R33 F35 | T9-L21 CarbonylContact C-O 3.47Å; T9-L21 WeakPolarHBondContact CA-O 3.16Å; L10-L21 HydrophobicContact CD1-CB 4.42Å; L10-L21 HydrophobicContact CD1-CD2 4.28Å; L10-L21 HydrophobicContact CD1-CG 4.32Å; L10-L21 PolarHBondContact N-O 2.86Å; L10-L21 PolarHBondContact O-N 2.88Å; L21-V23 HydrophobicContact CD1-CG2 4.42Å; L21-V23 HydrophobicContact CD2-CG2 4.15Å; L21-V23 HydrophobicContact CG-CG2 3.86Å; L21-F30 HydrophobicContact CD2-CB 3.85Å; L21-F30 HydrophobicContact CD2-CD1 3.69Å; L21-F30 HydrophobicContact CD2-CD2 4.43Å; L21-F30 HydrophobicContact CD2-CE1 4.33Å; L21-F30 HydrophobicContact CD2-CG 3.76Å; L21-R33 HydrophobicContact CD1-CB 3.63Å; L21-R33 HydrophobicContact CD1-CG 4.27Å; L21-F35 HydrophobicContact CB-CB 4.18Å; L21-F35 HydrophobicContact CB-CD1 4.45Å; L21-F35 HydrophobicContact CB-CD2 3.64Å; L21-F35 HydrophobicContact CB-CE2 4.09Å; L21-F35 HydrophobicContact CB-CG 3.83Å; L21-F35 HydrophobicContact CD2-CB 3.96Å; L21-F35 HydrophobicContact CD2-CD1 4.29Å; L21-F35 HydrophobicContact CD2-CG 4.09Å; L21-F35 HydrophobicContact CG-CB 4.49Å |
| 22 | E | 98.2 | Very high | 97.1 | Very high | 65 Ų | 65 | 64.5 Ų | 64.5 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.6 | 174.3 | -67.9 | -179.1 | -178.2 | 0 | 0 | 110.3 | T9 K20 F24 | T9-E22 HydrophobicContact CG2-CG 3.83Å; K20-E22 WeakPolarHBondContact CE-OE1 3.31Å; K20-E22 IonicContact NZ-OE1 2.95Å; K20-E22 PolarHBondContact NZ-OE1 2.69Å; E22-F24 HydrophobicContact CB-CE2 4.17Å |
| 23 | V | 97.5 | Very high | 97.1 | Very high | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135 | -176.8 | -171.9 | 0 | 0 | 0 | 0 | 110 | K7 I8 L10 L21 G25 C27 W49 | K7-V23 WeakPolarHBondContact CA-O 3.45Å; I8-V23 HydrophobicContact CG2-CB 3.73Å; I8-V23 HydrophobicContact CG2-CG1 4.49Å; I8-V23 HydrophobicContact CG2-CG2 4.46Å; I8-V23 PolarHBondContact N-O 3.21Å; I8-V23 PolarHBondContact O-N 3.31Å; L10-V23 HydrophobicContact CD1-CG2 3.92Å; L21-V23 HydrophobicContact CD1-CG2 4.42Å; L21-V23 HydrophobicContact CD2-CG2 4.15Å; L21-V23 HydrophobicContact CG-CG2 3.86Å; V23-G25 WeakPolarHBondContact CG1-O 3.09Å; V23-C27 HydrophobicContact CG1-CB 3.71Å; V23-C27 HydrophobicContact CG2-CB 4.28Å; V23-W49 HydrophobicContact CB-CH2 4.23Å; V23-W49 HydrophobicContact CB-CZ3 4.39Å; V23-W49 HydrophobicContact CG1-CH2 3.85Å; V23-W49 HydrophobicContact CG1-CZ3 3.86Å |
| 24 | F | 94.6 | Very high | 97 | Very high | 112 Ų | 112 | 69.1 Ų | 69.1 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -118.9 | -1.8 | -175.4 | -62.1 | -93.4 | 0 | 0 | 0 | 114 | G6 K7 E22 | G6-F24 CarbonylContact O-C 3.52Å; G6-F24 VanDerWaalsContact O-CA 3.29Å; G6-F24 WeakPolarHBondContact O-CA 3.43Å; K7-F24 HydrophobicContact CB-CD1 4.18Å; K7-F24 HydrophobicContact CB-CE1 4.29Å; K7-F24 HydrophobicContact CD-CD1 4.34Å; K7-F24 HydrophobicContact CD-CE1 3.63Å; K7-F24 HydrophobicContact CD-CZ 4.14Å; K7-F24 HydrophobicContact CG-CD1 4.02Å; K7-F24 HydrophobicContact CG-CE1 3.74Å; K7-F24 HydrophobicContact CG-CZ 4.27Å; E22-F24 HydrophobicContact CB-CE2 4.17Å |
| 25 | G | 93.1 | Very high | 97 | Very high | 26 Ų | 26 | 65.5 Ų | 65.5 | 27% | 0.268 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -163.5 | -151.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V23 W49 | V23-G25 WeakPolarHBondContact CG1-O 3.09Å; G25-W49 VanDerWaalsContact O-CH2 3.31Å; G25-W49 WeakPolarHBondContact O-CH2 3.35Å; G25-W49 WeakPolarHBondContact O-CZ3 3.49Å |
| 26 | D | 94.9 | Very high | 96.8 | Very high | 97 Ų | 97 | 66.1 Ų | 66.1 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | trans | -63.8 | 138.6 | 176.8 | -61.2 | -7.1 | 0 | 0 | 0 | 111.1 | F57 R86 P87 | D26-F57 HydrophobicContact CB-CZ 4.13Å; D26-R86 HydrophobicContact CB-CB 4.39Å; D26-R86 WeakPolarHBondContact OD1-CB 3.49Å; D26-P87 WeakPolarHBondContact OD1-CD 3.21Å | ||
| 27 | C | 97.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 62.9 Ų | 62.9 | 3% | 0.027 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -137 | 101.4 | 169 | -168 | 0 | 0 | 0 | 0 | 107.9 | V23 F30 S84 C85 | V23-C27 HydrophobicContact CG1-CB 3.71Å; V23-C27 HydrophobicContact CG2-CB 4.28Å; C27-F30 HydrophobicContact CB-CD1 4.38Å; C27-F30 HydrophobicContact CB-CE1 4.21Å; C27-S84 CarbonylContact O-C 3.57Å; C27-S84 WeakPolarHBondContact O-CA 3.17Å; C27-S84 WeakPolarHBondContact O-CB 3.19Å; C27-C85 PolarHBondContact N-O 3.09Å; C27-C85 PolarHBondContact O-N 2.97Å |
| 28 | D | 97.4 | Very high | 96.6 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 44% | 0.444 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -76.3 | -23.7 | -178.8 | 52.1 | 0.3 | 0 | 0 | 0 | 113.2 | P55 D56 F57 S84 | D28-P55 CarbonylContact O-C 3.5Å; D28-P55 VanDerWaalsContact O-CA 3.28Å; D28-P55 WeakPolarHBondContact O-CA 3.2Å; D28-D56 PolarHBondContact O-N 2.81Å; D28-F57 HydrophobicContact CB-CE2 3.92Å; D28-F57 HydrophobicContact CB-CZ 3.81Å; D28-S84 VanDerWaalsContact O-CB 3.25Å; D28-S84 WeakPolarHBondContact O-CB 3.25Å |
| 29 | N | 97.7 | Very high | 96.6 | Very high | 26 Ų | 26 | 61.9 Ų | 61.9 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | trans | -149.1 | 117 | 176.7 | -175.1 | 2.6 | 0 | 0 | 0 | 112.6 | Q31 D32 P55 G83 | N29-Q31 VanDerWaalsContact C-N 3.31Å; N29-Q31 PolarHBondContact O-N 2.82Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.48Å; N29-Q31 PolarHBondContact OD1-N 2.87Å; N29-D32 HydrophobicContact CB-CB 4.41Å; N29-D32 WeakPolarHBondContact CB-OD2 3.28Å; N29-D32 PolarHBondContact ND2-OD1 2.76Å; N29-D32 PolarHBondContact ND2-OD2 2.98Å; N29-P55 HydrophobicContact CB-CB 4.36Å; N29-G83 WeakPolarHBondContact CA-O 3.33Å | ||
| 30 | F | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -70.2 | -26.9 | 178.8 | -57.4 | -18.9 | 0 | 0 | 0 | 113.2 | L10 L21 C27 D32 R33 G34 F35 N37 V39 M82 G83 S84 C85 | L10-F30 HydrophobicContact CD1-CZ 4.4Å; L10-F30 HydrophobicContact CD2-CE2 3.73Å; L10-F30 HydrophobicContact CD2-CZ 3.76Å; L21-F30 HydrophobicContact CD2-CB 3.85Å; L21-F30 HydrophobicContact CD2-CD1 3.69Å; L21-F30 HydrophobicContact CD2-CD2 4.43Å; L21-F30 HydrophobicContact CD2-CE1 4.33Å; L21-F30 HydrophobicContact CD2-CG 3.76Å; C27-F30 HydrophobicContact CB-CD1 4.38Å; C27-F30 HydrophobicContact CB-CE1 4.21Å; F30-D32 VanDerWaalsContact C-N 3.31Å; F30-D32 PolarHBondContact O-N 2.89Å; F30-R33 CarbonylContact O-C 3.33Å; F30-R33 WeakPolarHBondContact O-CA 3.32Å; F30-R33 WeakPolarHBondContact O-CB 3.41Å; F30-R33 PolarHBondContact O-N 3.45Å; F30-G34 PolarHBondContact O-N 2.89Å; F30-F35 CarbonylContact C-O 3.5Å; F30-F35 HydrophobicContact CB-CB 4.21Å; F30-F35 HydrophobicContact CB-CD1 4.11Å; F30-F35 HydrophobicContact CD2-CD1 4.27Å; F30-F35 WeakPolarHBondContact O-CB 3.41Å; F30-F35 PolarHBondContact O-N 2.91Å; F30-N37 WeakPolarHBondContact CB-OD1 3.44Å; F30-V39 HydrophobicContact CE2-CG2 4.33Å; F30-M82 HydrophobicContact CD2-CB 4.4Å; F30-M82 WeakPolarHBondContact CD2-O 3.45Å; F30-M82 HydrophobicContact CE2-CB 3.64Å; F30-M82 WeakPolarHBondContact CE2-O 3.39Å; F30-G83 WeakPolarHBondContact CD1-O 3.27Å; F30-G83 WeakPolarHBondContact CG-O 3.49Å; F30-G83 PolarHBondContact N-O 2.87Å; F30-S84 VanDerWaalsContact CE1-CA 3.42Å; F30-S84 VanDerWaalsContact CZ-C 3.43Å; F30-C85 HydrophobicContact CE1-CB 4.18Å; F30-C85 HydrophobicContact CZ-CB 4.02Å |
| 31 | Q | 97.1 | Very high | 96.7 | Very high | 108 Ų | 108 | 52.8 Ų | 52.8 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -67.5 | -33.2 | 179.7 | -63.3 | -173.1 | -1.8 | 0 | 0 | 112.1 | N29 R33 G34 F35 N37 | N29-Q31 VanDerWaalsContact C-N 3.31Å; N29-Q31 PolarHBondContact O-N 2.82Å; N29-Q31 WeakPolarHBondContact OD1-CB 3.48Å; N29-Q31 PolarHBondContact OD1-N 2.87Å; Q31-R33 PolarHBondContact O-N 3.39Å; Q31-R33 VanDerWaalsContact O-N 3.15Å; Q31-G34 WeakPolarHBondContact O-CA 3.49Å; Q31-G34 PolarHBondContact O-N 3.03Å; Q31-F35 WeakPolarHBondContact CA-O 3.44Å; Q31-F35 PolarHBondContact N-O 3.2Å; Q31-N37 WeakPolarHBondContact CG-OD1 3.19Å; Q31-N37 PolarHBondContact NE2-ND2 2.84Å; Q31-N37 VanDerWaalsContact NE2-ND2 3.14Å |
| 32 | D | 97.1 | Very high | 96.7 | Very high | 122 Ų | 122 | 52.3 Ų | 52.3 | 65% | 0.652 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -65.8 | -17.3 | 175 | -64.4 | -21.8 | 0 | 0 | 0 | 112 | N29 F30 | N29-D32 HydrophobicContact CB-CB 4.41Å; N29-D32 WeakPolarHBondContact CB-OD2 3.28Å; N29-D32 PolarHBondContact ND2-OD1 2.76Å; N29-D32 PolarHBondContact ND2-OD2 2.98Å; F30-D32 VanDerWaalsContact C-N 3.31Å; F30-D32 PolarHBondContact O-N 2.89Å |
| 33 | R | 95.9 | Very high | 96.7 | Very high | 139 Ų | 139 | 51.6 Ų | 51.6 | 53% | 0.525 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -98 | 9 | 173 | -51.9 | -62.4 | -68.2 | -80 | -8.4 | 112.7 | L21 F30 Q31 | L21-R33 HydrophobicContact CD1-CB 3.63Å; L21-R33 HydrophobicContact CD1-CG 4.27Å; F30-R33 CarbonylContact O-C 3.33Å; F30-R33 WeakPolarHBondContact O-CA 3.32Å; F30-R33 WeakPolarHBondContact O-CB 3.41Å; F30-R33 PolarHBondContact O-N 3.45Å; Q31-R33 PolarHBondContact O-N 3.39Å; Q31-R33 VanDerWaalsContact O-N 3.15Å |
| 34 | G | 95.7 | Very high | 96.7 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 21.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q19 F30 Q31 | Q19-G34 PolarHBondContact NE2-O 3.14Å; F30-G34 PolarHBondContact O-N 2.89Å; Q31-G34 WeakPolarHBondContact O-CA 3.49Å; Q31-G34 PolarHBondContact O-N 3.03Å |
| 35 | F | 97.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | trans | -113.8 | 125.4 | -177.7 | -169.4 | -90.1 | 0 | 0 | 0 | 110.7 | L10 E12 Q19 L21 F30 Q31 N37 R38 V39 | L10-F35 HydrophobicContact CB-CZ 4.48Å; E12-F35 HydrophobicContact CB-CE2 4.47Å; E12-F35 HydrophobicContact CB-CZ 4.46Å; Q19-F35 HydrophobicContact CG-CD2 4.28Å; L21-F35 HydrophobicContact CB-CB 4.18Å; L21-F35 HydrophobicContact CB-CD1 4.45Å; L21-F35 HydrophobicContact CB-CD2 3.64Å; L21-F35 HydrophobicContact CB-CE2 4.09Å; L21-F35 HydrophobicContact CB-CG 3.83Å; L21-F35 HydrophobicContact CD2-CB 3.96Å; L21-F35 HydrophobicContact CD2-CD1 4.29Å; L21-F35 HydrophobicContact CD2-CG 4.09Å; L21-F35 HydrophobicContact CG-CB 4.49Å; F30-F35 CarbonylContact C-O 3.5Å; F30-F35 HydrophobicContact CB-CB 4.21Å; F30-F35 HydrophobicContact CB-CD1 4.11Å; F30-F35 HydrophobicContact CD2-CD1 4.27Å; F30-F35 WeakPolarHBondContact O-CB 3.41Å; F30-F35 PolarHBondContact O-N 2.91Å; Q31-F35 WeakPolarHBondContact CA-O 3.44Å; Q31-F35 PolarHBondContact N-O 3.2Å; F35-N37 PolarHBondContact O-N 2.92Å; F35-R38 WeakPolarHBondContact CE1-O 3.46Å; F35-R38 WeakPolarHBondContact CZ-O 3.2Å; F35-V39 HydrophobicContact CE1-CG2 3.58Å; F35-V39 HydrophobicContact CZ-CG2 4.12Å | ||
| 36 | M | 94.5 | Very high | 96.8 | Very high | 139 Ų | 139 | 51 Ų | 51 | 69% | 0.685 | 26% | 0.255 | S | S | * | . | trans | -80 | 34 | -163.7 | -66.2 | -67.2 | 167.4 | 0 | 0 | 115.1 | R38 | M36-R38 PolarHBondContact O-N 3.12Š| ||
| 37 | N | 94.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 50.9 | 24.3 | -178.4 | -64 | -7.5 | 0 | 0 | 0 | 114.9 | F30 Q31 F35 H81 M82 | F30-N37 WeakPolarHBondContact CB-OD1 3.44Å; Q31-N37 WeakPolarHBondContact CG-OD1 3.19Å; Q31-N37 PolarHBondContact NE2-ND2 2.84Å; Q31-N37 VanDerWaalsContact NE2-ND2 3.14Å; F35-N37 PolarHBondContact O-N 2.92Å; N37-H81 WeakPolarHBondContact CB-CE1 3.16Å; N37-H81 WeakPolarHBondContact O-CA 3.11Å; N37-H81 PolarHBondContact O-ND1 2.84Å; N37-H81 VanDerWaalsContact O-ND1 3.11Å; N37-M82 CarbonylContact C-O 3.34Å; N37-M82 WeakPolarHBondContact CA-O 3.38Å; N37-M82 WeakPolarHBondContact CB-O 3.37Å; N37-M82 PolarHBondContact O-N 3.19Å; N37-M82 VanDerWaalsContact O-N 3.11Å |
| 38 | R | 96.8 | Very high | 96.3 | Very high | 119 Ų | 119 | 48.8 Ų | 48.8 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -111.8 | 108.8 | -178.9 | -171.7 | -178.9 | -172.6 | -161.9 | 0.3 | 108.7 | E12 F35 M36 D80 | E12-R38 WeakPolarHBondContact CA-O 3.39Å; E12-R38 HydrophobicContact CG-CB 4.27Å; E12-R38 HydrophobicContact CG-CG 4.24Å; E12-R38 IonicContact OE1-NH1 3.94Å; F35-R38 WeakPolarHBondContact CE1-O 3.46Å; F35-R38 WeakPolarHBondContact CZ-O 3.2Å; M36-R38 PolarHBondContact O-N 3.12Å; R38-D80 CarbonylContact C-O 3.57Å; R38-D80 WeakPolarHBondContact CA-O 3.34Å; R38-D80 VanDerWaalsContact CG-OD2 3.25Å; R38-D80 WeakPolarHBondContact CG-OD2 3.24Å; R38-D80 IonicContact CZ-OD2 3.41Å; R38-D80 IonicContact NE-OD2 2.65Å; R38-D80 PolarHBondContact NE-OD2 2.67Å; R38-D80 IonicContact NH2-OD2 3.02Å |
| 39 | V | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -125.4 | 110.4 | -175.4 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | L10 Y11 F30 F35 I42 W75 D80 M82 | L10-V39 HydrophobicContact CB-CG1 4.11Å; L10-V39 HydrophobicContact CB-CG2 4.07Å; L10-V39 HydrophobicContact CD2-CG1 4.05Å; L10-V39 HydrophobicContact CD2-CG2 3.8Å; Y11-V39 WeakPolarHBondContact O-CA 3.27Å; F30-V39 HydrophobicContact CE2-CG2 4.33Å; F35-V39 HydrophobicContact CE1-CG2 3.58Å; F35-V39 HydrophobicContact CZ-CG2 4.12Å; V39-I42 HydrophobicContact CG1-CD1 3.78Å; V39-I42 HydrophobicContact CG1-CG1 3.49Å; V39-I42 VanDerWaalsContact CG1-CG1 3.49Å; V39-W75 HydrophobicContact CG1-CH2 4.3Å; V39-W75 HydrophobicContact CG1-CZ2 4.32Å; V39-D80 PolarHBondContact N-O 2.79Å; V39-D80 WeakPolarHBondContact O-CA 3.47Å; V39-M82 HydrophobicContact CB-CB 4.27Å; V39-M82 HydrophobicContact CB-CG 4.27Å; V39-M82 HydrophobicContact CB-SD 4.2Å; V39-M82 HydrophobicContact CG1-SD 4.09Å; V39-M82 HydrophobicContact CG2-CB 3.84Å; V39-M82 HydrophobicContact CG2-CG 4.35Å; V39-M82 HydrophobicContact CG2-SD 4.35Å | ||
| 40 | N | 97.9 | Very high | 96.1 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.053 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -109.5 | -15.7 | 178.9 | -78.4 | -85.1 | 0 | 0 | 0 | 113.1 | Y11 E12 G13 K14 D71 D80 | Y11-N40 PolarHBondContact O-N 3.22Å; E12-N40 VanDerWaalsContact O-CB 3.29Å; E12-N40 WeakPolarHBondContact O-CB 3.3Å; E12-N40 PolarHBondContact O-ND2 2.89Å; G13-N40 VanDerWaalsContact C-CB 3.48Å; K14-N40 HydrophobicContact CG-CB 3.91Å; N40-D71 VanDerWaalsContact O-CA 3.27Å; N40-D71 WeakPolarHBondContact O-CA 3.33Å; N40-D80 PolarHBondContact ND2-OD2 3.12Å; N40-D80 VanDerWaalsContact ND2-OD2 3.12Å; N40-D80 WeakPolarHBondContact OD1-CB 3.38Å |
| 41 | S | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 156 | 169.1 | 57.6 | 0 | 0 | 0 | 0 | 111.8 | Y11 G13 F16 Y69 P70 | Y11-S41 WeakPolarHBondContact CB-OG 3.29Å; Y11-S41 PolarHBondContact N-O 2.96Å; Y11-S41 PolarHBondContact O-N 3.34Å; G13-S41 PolarHBondContact O-N 3.24Å; G13-S41 PolarHBondContact O-OG 2.9Å; F16-S41 WeakPolarHBondContact CA-OG 3.37Å; F16-S41 PolarHBondContact N-OG 2.94Å; S41-Y69 CarbonylContact C-O 3.37Å; S41-Y69 WeakPolarHBondContact CA-O 3.49Å; S41-Y69 WeakPolarHBondContact CB-O 3.38Å; S41-P70 WeakPolarHBondContact CB-O 3.5Å |
| 42 | I | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 136.7 | -173.6 | -58.7 | 173.7 | 0 | 0 | 0 | 109.8 | I8 T9 L10 F16 V39 V44 L64 Y69 W75 M82 | I8-I42 HydrophobicContact CD1-CG2 3.7Å; I8-I42 HydrophobicContact CG1-CG2 3.63Å; T9-I42 WeakPolarHBondContact O-CA 3.44Å; L10-I42 HydrophobicContact CD2-CD1 4.42Å; F16-I42 WeakPolarHBondContact CE1-O 3.39Å; V39-I42 HydrophobicContact CG1-CD1 3.78Å; V39-I42 HydrophobicContact CG1-CG1 3.49Å; V39-I42 VanDerWaalsContact CG1-CG1 3.49Å; I42-V44 HydrophobicContact CG2-CG2 4.05Å; I42-L64 HydrophobicContact CD1-CD1 3.58Å; I42-L64 HydrophobicContact CG2-CD1 4.16Å; I42-Y69 HydrophobicContact CB-CD2 4.47Å; I42-Y69 PolarHBondContact N-O 3.11Å; I42-Y69 WeakPolarHBondContact O-CA 3.37Å; I42-Y69 WeakPolarHBondContact O-CB 3.29Å; I42-Y69 PolarHBondContact O-N 2.79Å; I42-W75 HydrophobicContact CB-CZ3 4.34Å; I42-W75 HydrophobicContact CD1-CD2 4.34Å; I42-W75 HydrophobicContact CD1-CE3 4.19Å; I42-W75 HydrophobicContact CD1-CH2 3.88Å; I42-W75 HydrophobicContact CD1-CZ2 4.04Å; I42-W75 HydrophobicContact CD1-CZ3 3.98Å; I42-W75 HydrophobicContact CG1-CH2 3.89Å; I42-W75 HydrophobicContact CG1-CZ2 4.48Å; I42-W75 HydrophobicContact CG1-CZ3 3.97Å; I42-M82 HydrophobicContact CD1-CE 3.67Å; I42-M82 HydrophobicContact CD1-SD 3.85Å |
| 43 | H | 98.4 | Very high | 96 | Very high | 50 Ų | 50 | 34.5 Ų | 34.5 | 23% | 0.231 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 118.1 | 168.6 | -179.3 | 75.8 | 0 | 0 | 0 | 109.4 | T9 Y11 F16 D68 | T9-H43 PolarHBondContact N-O 3.41Å; T9-H43 PolarHBondContact O-N 2.95Å; Y11-H43 HydrophobicContact CE2-CB 4.12Å; F16-H43 HydrophobicContact CD1-CB 4.49Å; F16-H43 HydrophobicContact CE1-CB 4.43Å; H43-D68 IonicContact CE1-OD1 3.45Å; H43-D68 PolarHBondContact CE1-OD1 3.04Å; H43-D68 IonicContact CG-OD1 2.69Å; H43-D68 IonicContact ND1-OD1 2.68Å; H43-D68 PolarHBondContact ND1-OD1 2.65Å |
| 44 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 103.3 | 174.4 | -176 | 0 | 0 | 0 | 0 | 108.3 | I8 I42 L64 E65 G67 Y69 | I8-V44 HydrophobicContact CD1-CG2 4.03Å; I8-V44 HydrophobicContact CG1-CG2 4.06Å; I42-V44 HydrophobicContact CG2-CG2 4.05Å; V44-L64 HydrophobicContact CG2-CB 3.94Å; V44-E65 VanDerWaalsContact CB-O 3.26Å; V44-E65 WeakPolarHBondContact CB-O 3.25Å; V44-E65 WeakPolarHBondContact CG2-O 3.11Å; V44-G67 PolarHBondContact N-O 2.9Å; V44-G67 PolarHBondContact O-N 2.74Å; V44-Y69 HydrophobicContact CG2-CD2 4.35Å; V44-Y69 HydrophobicContact CG2-CE2 3.92Å |
| 45 | E | 96.2 | Very high | 96 | Very high | 91 Ų | 91 | 31.7 Ų | 31.7 | 43% | 0.425 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -31.3 | -176.3 | -174.3 | 177.5 | 129.6 | 0 | 0 | 112 | K7 H66 | K7-E45 HydrophobicContact CB-CB 4.23Å; K7-E45 HydrophobicContact CD-CB 4.2Å; K7-E45 HydrophobicContact CD-CG 4.4Å; K7-E45 WeakPolarHBondContact CD-OE2 3.29Å; K7-E45 VanDerWaalsContact CE-OE2 3.3Å; K7-E45 WeakPolarHBondContact CE-OE2 3.45Å; K7-E45 HydrophobicContact CG-CB 4.37Å; K7-E45 IonicContact NZ-OE1 3.65Å; K7-E45 PolarHBondContact NZ-OE1 2.88Å; K7-E45 IonicContact NZ-OE2 3.9Å; K7-E45 PolarHBondContact NZ-OE2 3.44Å; K7-E45 PolarHBondContact O-N 2.9Å; E45-H66 PolarHBondContact O-CD2 2.82Å |
| 46 | S | 92.3 | Very high | 96 | Very high | 36 Ų | 36 | 35.9 Ų | 35.9 | 25% | 0.252 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 147.1 | 176.5 | 67.2 | 0 | 0 | 0 | 0 | 113.2 | S5 G6 K7 W49 | S5-S46 PolarHBondContact O-OG 3.06Å; G6-S46 VanDerWaalsContact CA-O 3.27Å; G6-S46 WeakPolarHBondContact CA-O 3.45Å; G6-S46 WeakPolarHBondContact CA-OG 3.41Å; K7-S46 PolarHBondContact N-O 3.15Å; K7-S46 VanDerWaalsContact N-O 3.1Å; K7-S46 PolarHBondContact N-OG 2.94Å; K7-S46 PolarHBondContact O-N 3.05Å; S46-W49 PolarHBondContact O-NE1 2.91Å; S46-W49 VanDerWaalsContact O-NE1 3.12Å |
| 47 | G | 90 | Very high | 96.1 | Very high | 42 Ų | 42 | 31.1 Ų | 31.1 | 43% | 0.433 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 77.7 | -171.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | H66 | G47-H66 PolarHBondContact O-N 2.97Š|
| 48 | A | 92.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 12% | 0.116 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 153.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | L64 V88 | A48-L64 CarbonylContact C-O 3.58Å; A48-L64 VanDerWaalsContact CA-O 3.31Å; A48-L64 WeakPolarHBondContact CA-O 3.3Å; A48-V88 HydrophobicContact CB-CB 4.1Å; A48-V88 HydrophobicContact CB-CG2 4.39Å; A48-V88 PolarHBondContact O-N 2.84Å |
| 49 | W | 95.4 | Very high | 96 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145 | -173.6 | -71.7 | 78.8 | 0 | 0 | 0 | 110.1 | G6 I8 V23 G25 S46 I63 L64 C85 R86 P87 | G6-W49 VanDerWaalsContact C-CZ2 3.48Å; I8-W49 HydrophobicContact CB-CD2 3.81Å; I8-W49 HydrophobicContact CB-CE3 4.3Å; I8-W49 HydrophobicContact CB-CG 4.11Å; I8-W49 HydrophobicContact CB-CH2 4.49Å; I8-W49 HydrophobicContact CB-CZ2 4.03Å; I8-W49 HydrophobicContact CD1-CB 3.98Å; I8-W49 HydrophobicContact CD1-CD2 4.22Å; I8-W49 HydrophobicContact CD1-CG 3.95Å; I8-W49 HydrophobicContact CG2-CD2 3.57Å; I8-W49 HydrophobicContact CG2-CE3 3.55Å; I8-W49 HydrophobicContact CG2-CG 4.32Å; I8-W49 HydrophobicContact CG2-CH2 3.58Å; I8-W49 HydrophobicContact CG2-CZ2 3.6Å; I8-W49 HydrophobicContact CG2-CZ3 3.55Å; V23-W49 HydrophobicContact CB-CH2 4.23Å; V23-W49 HydrophobicContact CB-CZ3 4.39Å; V23-W49 HydrophobicContact CG1-CH2 3.85Å; V23-W49 HydrophobicContact CG1-CZ3 3.86Å; G25-W49 VanDerWaalsContact O-CH2 3.31Å; G25-W49 WeakPolarHBondContact O-CH2 3.35Å; G25-W49 WeakPolarHBondContact O-CZ3 3.49Å; S46-W49 PolarHBondContact O-NE1 2.91Å; S46-W49 VanDerWaalsContact O-NE1 3.12Å; W49-I63 WeakPolarHBondContact O-CA 3.27Å; W49-L64 PolarHBondContact N-O 2.87Å; W49-L64 PolarHBondContact O-N 3.38Å; W49-C85 HydrophobicContact CE3-CB 4.24Å; W49-R86 WeakPolarHBondContact CA-O 3.44Å; W49-P87 HydrophobicContact CD2-CB 4.49Å; W49-P87 HydrophobicContact CZ2-CB 4.45Å |
| 50 | V | 96.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 120.3 | 163.8 | 57.2 | 0 | 0 | 0 | 0 | 108.3 | F52 Q61 F62 C85 R86 V88 | V50-F52 HydrophobicContact CB-CE2 4.26Å; V50-F52 HydrophobicContact CB-CZ 4.34Å; V50-F52 HydrophobicContact CG1-CE2 3.81Å; V50-F52 HydrophobicContact CG1-CZ 3.92Å; V50-F52 HydrophobicContact CG2-CE1 4.21Å; V50-F52 HydrophobicContact CG2-CE2 3.76Å; V50-F52 HydrophobicContact CG2-CZ 3.54Å; V50-Q61 HydrophobicContact CG2-CB 4.13Å; V50-F62 WeakPolarHBondContact CA-O 3.18Å; V50-C85 CarbonylContact O-C 3.49Å; V50-C85 VanDerWaalsContact O-CA 3.29Å; V50-C85 WeakPolarHBondContact O-CA 3.41Å; V50-R86 HydrophobicContact CG1-CG 3.51Å; V50-R86 PolarHBondContact N-O 3.19Å; V50-R86 PolarHBondContact O-N 2.84Å; V50-V88 HydrophobicContact CB-CG2 4.18Å; V50-V88 HydrophobicContact CG1-CG2 4.22Å |
| 51 | C | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 151.3 | 174.6 | -66.5 | 0 | 0 | 0 | 0 | 110.1 | Q61 F62 L64 M82 C85 | C51-Q61 CarbonylContact O-C 3.59Å; C51-Q61 WeakPolarHBondContact O-CA 3.27Å; C51-F62 HydrophobicContact CB-CB 4.46Å; C51-F62 HydrophobicContact CB-CD2 4.48Å; C51-F62 PolarHBondContact N-O 2.7Å; C51-F62 PolarHBondContact O-N 2.91Å; C51-L64 HydrophobicContact CB-CD1 4.34Å; C51-M82 HydrophobicContact CB-CE 4.4Å; C51-M82 HydrophobicContact CB-SD 3.78Å; C51-C85 HydrophobicContact CB-CB 4.29Å; C51-C85 VanDerWaalsContact SG-CB 3.51Å |
| 52 | F | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.3 | -177.6 | -56.7 | -99.9 | 0 | 0 | 0 | 110.3 | V50 H54 F57 R58 Q60 Q61 M82 G83 S84 R86 | V50-F52 HydrophobicContact CB-CE2 4.26Å; V50-F52 HydrophobicContact CB-CZ 4.34Å; V50-F52 HydrophobicContact CG1-CE2 3.81Å; V50-F52 HydrophobicContact CG1-CZ 3.92Å; V50-F52 HydrophobicContact CG2-CE1 4.21Å; V50-F52 HydrophobicContact CG2-CE2 3.76Å; V50-F52 HydrophobicContact CG2-CZ 3.54Å; F52-H54 VanDerWaalsContact C-N 3.28Å; F52-H54 PolarHBondContact O-N 3.38Å; F52-F57 HydrophobicContact CD1-CB 4.33Å; F52-F57 WeakPolarHBondContact CD1-O 3.4Å; F52-F57 HydrophobicContact CD2-CB 4.05Å; F52-F57 AromaticContact CD2-CD1 3.94Å; F52-F57 HydrophobicContact CD2-CD1 3.94Å; F52-F57 HydrophobicContact CE1-CB 4.15Å; F52-F57 VanDerWaalsContact CE1-O 3.27Å; F52-F57 WeakPolarHBondContact CE1-O 3.46Å; F52-F57 HydrophobicContact CE2-CB 3.89Å; F52-F57 AromaticContact CE2-CD1 3.82Å; F52-F57 HydrophobicContact CE2-CD1 3.82Å; F52-F57 HydrophobicContact CE2-CG 4.31Å; F52-F57 HydrophobicContact CG-CB 4.3Å; F52-F57 HydrophobicContact CZ-CB 3.97Å; F52-R58 WeakPolarHBondContact CB-O 3.06Å; F52-Q60 WeakPolarHBondContact CA-O 3.17Å; F52-Q61 HydrophobicContact CD1-CG 3.74Å; F52-Q61 HydrophobicContact CE1-CB 4.47Å; F52-Q61 HydrophobicContact CE1-CG 3.53Å; F52-Q61 HydrophobicContact CZ-CG 4.46Å; F52-M82 WeakPolarHBondContact O-CA 3.39Å; F52-G83 PolarHBondContact O-N 2.87Å; F52-S84 WeakPolarHBondContact CB-OG 3.33Å; F52-S84 PolarHBondContact N-O 2.66Å; F52-S84 PolarHBondContact O-N 2.91Å; F52-R86 HydrophobicContact CE2-CG 4.13Å |
| 53 | N | 95.4 | Very high | 95.4 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -68 | -27.1 | 178.9 | 73.3 | -28.3 | 0 | 0 | 0 | 112.8 | R58 G59 Q60 F62 H81 G83 | N53-R58 PolarHBondContact OD1-O 3.29Å; N53-G59 WeakPolarHBondContact OD1-CA 3.12Å; N53-Q60 HydrophobicContact CB-CB 4.44Å; N53-Q60 PolarHBondContact N-O 3.45Å; N53-Q60 VanDerWaalsContact N-O 3.09Å; N53-Q60 PolarHBondContact OD1-N 3.41Å; N53-F62 HydrophobicContact CB-CE2 4.32Å; N53-H81 PolarHBondContact O-CD2 3.32Å; N53-G83 PolarHBondContact O-N 3.49Å |
| 54 | H | 95.8 | Very high | 95.3 | Very high | 87 Ų | 87 | 47.9 Ų | 47.9 | 40% | 0.403 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -110.2 | 162.8 | 176.6 | -66 | -64.8 | 0 | 0 | 0 | 113 | F52 R58 S84 | F52-H54 VanDerWaalsContact C-N 3.28Å; F52-H54 PolarHBondContact O-N 3.38Å; H54-R58 HydrophobicContact CB-CB 4.1Å; H54-R58 WeakPolarHBondContact CB-O 3.14Å; H54-R58 PolarHBondContact N-O 3.22Å; H54-S84 PolarHBondContact O-N 3.24Å; H54-S84 PolarHBondContact O-OG 3.34Å |
| 55 | P | 96.4 | Very high | 95.1 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 21% | 0.214 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -58.5 | 169.8 | 165.4 | -22.9 | 35 | 0 | 0 | 0 | 112.8 | D28 N29 F57 R58 | D28-P55 CarbonylContact O-C 3.5Å; D28-P55 VanDerWaalsContact O-CA 3.28Å; D28-P55 WeakPolarHBondContact O-CA 3.2Å; N29-P55 HydrophobicContact CB-CB 4.36Å; P55-F57 PolarHBondContact O-N 3.01Å; P55-R58 WeakPolarHBondContact O-CB 3.49Å; P55-R58 PolarHBondContact O-N 2.74Å |
| 56 | D | 96.5 | Very high | 95 | Very high | 89 Ų | 89 | 56.4 Ų | 56.4 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 28.7 | 176.4 | -50.3 | -49.3 | 0 | 0 | 0 | 114.1 | D28 R58 | D28-D56 PolarHBondContact O-N 2.81Å; D56-R58 VanDerWaalsContact C-N 3.35Å; D56-R58 HydrophobicContact CB-CG 4.4Å; D56-R58 PolarHBondContact O-N 3.45Å |
| 57 | F | 96.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 55.6 Ų | 55.6 | 17% | 0.171 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 37.4 | -178.7 | -43.1 | -66.4 | 0 | 0 | 0 | 114 | D26 D28 F52 P55 S84 C85 R86 | D26-F57 HydrophobicContact CB-CZ 4.13Å; D28-F57 HydrophobicContact CB-CE2 3.92Å; D28-F57 HydrophobicContact CB-CZ 3.81Å; F52-F57 HydrophobicContact CD1-CB 4.33Å; F52-F57 WeakPolarHBondContact CD1-O 3.4Å; F52-F57 HydrophobicContact CD2-CB 4.05Å; F52-F57 AromaticContact CD2-CD1 3.94Å; F52-F57 HydrophobicContact CD2-CD1 3.94Å; F52-F57 HydrophobicContact CE1-CB 4.15Å; F52-F57 VanDerWaalsContact CE1-O 3.27Å; F52-F57 WeakPolarHBondContact CE1-O 3.46Å; F52-F57 HydrophobicContact CE2-CB 3.89Å; F52-F57 AromaticContact CE2-CD1 3.82Å; F52-F57 HydrophobicContact CE2-CD1 3.82Å; F52-F57 HydrophobicContact CE2-CG 4.31Å; F52-F57 HydrophobicContact CG-CB 4.3Å; F52-F57 HydrophobicContact CZ-CB 3.97Å; P55-F57 PolarHBondContact O-N 3.01Å; F57-S84 VanDerWaalsContact CA-OG 3.27Å; F57-S84 WeakPolarHBondContact CA-OG 3.45Å; F57-S84 PolarHBondContact N-OG 2.93Å; F57-C85 WeakPolarHBondContact CE1-O 3.47Å; F57-R86 HydrophobicContact CD1-CB 4.49Å; F57-R86 HydrophobicContact CD1-CG 4.14Å; F57-R86 HydrophobicContact CE1-CB 4.01Å; F57-R86 HydrophobicContact CE1-CG 4.16Å |
| 58 | R | 95.2 | Very high | 95.6 | Very high | 165 Ų | 165 | 58 Ų | 58 | 62% | 0.623 | 30% | 0.295 | S | S | * | . | trans | -108.3 | 156.4 | -175.6 | -65.2 | -179.9 | 178.9 | 169.7 | -0.3 | 114 | F52 N53 H54 P55 D56 | F52-R58 WeakPolarHBondContact CB-O 3.06Å; N53-R58 PolarHBondContact OD1-O 3.29Å; H54-R58 HydrophobicContact CB-CB 4.1Å; H54-R58 WeakPolarHBondContact CB-O 3.14Å; H54-R58 PolarHBondContact N-O 3.22Å; P55-R58 WeakPolarHBondContact O-CB 3.49Å; P55-R58 PolarHBondContact O-N 2.74Å; D56-R58 VanDerWaalsContact C-N 3.35Å; D56-R58 HydrophobicContact CB-CG 4.4Å; D56-R58 PolarHBondContact O-N 3.45Å | ||
| 59 | G | 94.5 | Very high | 95.9 | Very high | 48 Ų | 48 | 59 Ų | 59 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 83.2 | -146.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | N53 | N53-G59 WeakPolarHBondContact OD1-CA 3.12Š|
| 60 | Q | 94.9 | Very high | 96 | Very high | 97 Ų | 97 | 60.6 Ų | 60.6 | 45% | 0.453 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -67.5 | 135 | -175.6 | -172.5 | 176.6 | 21.7 | 0 | 0 | 110.6 | F52 N53 F62 | F52-Q60 WeakPolarHBondContact CA-O 3.17Å; N53-Q60 HydrophobicContact CB-CB 4.44Å; N53-Q60 PolarHBondContact N-O 3.45Å; N53-Q60 VanDerWaalsContact N-O 3.09Å; N53-Q60 PolarHBondContact OD1-N 3.41Å; Q60-F62 HydrophobicContact CB-CE2 4.43Å; Q60-F62 HydrophobicContact CB-CZ 4.14Å; Q60-F62 HydrophobicContact CG-CE1 3.9Å; Q60-F62 HydrophobicContact CG-CE2 4.3Å; Q60-F62 HydrophobicContact CG-CZ 3.68Å |
| 61 | Q | 95.4 | Very high | 95.9 | Very high | 98 Ų | 98 | 62 Ų | 62 | 46% | 0.458 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 143.9 | -176.8 | -54.2 | -174.3 | 10.9 | 0 | 0 | 111.3 | V50 C51 F52 | V50-Q61 HydrophobicContact CG2-CB 4.13Å; C51-Q61 CarbonylContact O-C 3.59Å; C51-Q61 WeakPolarHBondContact O-CA 3.27Å; F52-Q61 HydrophobicContact CD1-CG 3.74Å; F52-Q61 HydrophobicContact CE1-CB 4.47Å; F52-Q61 HydrophobicContact CE1-CG 3.53Å; F52-Q61 HydrophobicContact CZ-CG 4.46Å |
| 62 | F | 95.7 | Very high | 95.7 | Very high | 10 Ų | 10 | 63.3 Ų | 63.3 | 4% | 0.044 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 119.6 | 176.3 | -48.5 | -79.5 | 0 | 0 | 0 | 109.1 | V50 C51 N53 Q60 W75 M82 | V50-F62 WeakPolarHBondContact CA-O 3.18Å; C51-F62 HydrophobicContact CB-CB 4.46Å; C51-F62 HydrophobicContact CB-CD2 4.48Å; C51-F62 PolarHBondContact N-O 2.7Å; C51-F62 PolarHBondContact O-N 2.91Å; N53-F62 HydrophobicContact CB-CE2 4.32Å; Q60-F62 HydrophobicContact CB-CE2 4.43Å; Q60-F62 HydrophobicContact CB-CZ 4.14Å; Q60-F62 HydrophobicContact CG-CE1 3.9Å; Q60-F62 HydrophobicContact CG-CE2 4.3Å; Q60-F62 HydrophobicContact CG-CZ 3.68Å; F62-W75 AromaticContact CD1-CD1 3.65Å; F62-W75 WeakPolarHBondContact CD1-O 3.47Å; F62-W75 AromaticContact CG-CD1 3.88Å; F62-M82 HydrophobicContact CD2-CE 4.06Å; F62-M82 HydrophobicContact CE2-CE 4.45Å |
| 63 | I | 94.8 | Very high | 95.5 | Very high | 117 Ų | 117 | 68.9 Ų | 68.9 | 60% | 0.6 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123.4 | 174.2 | -56.6 | 178.9 | 0 | 0 | 0 | 107.9 | W49 | W49-I63 WeakPolarHBondContact O-CA 3.27Å |
| 64 | L | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 118.9 | -178.6 | -58.5 | 171 | 0 | 0 | 0 | 108.6 | I8 I42 V44 A48 W49 C51 Y69 W75 | I8-L64 HydrophobicContact CD1-CD1 4.12Å; I42-L64 HydrophobicContact CD1-CD1 3.58Å; I42-L64 HydrophobicContact CG2-CD1 4.16Å; V44-L64 HydrophobicContact CG2-CB 3.94Å; A48-L64 CarbonylContact C-O 3.58Å; A48-L64 VanDerWaalsContact CA-O 3.31Å; A48-L64 WeakPolarHBondContact CA-O 3.3Å; W49-L64 PolarHBondContact N-O 2.87Å; W49-L64 PolarHBondContact O-N 3.38Å; C51-L64 HydrophobicContact CB-CD1 4.34Å; L64-Y69 HydrophobicContact CB-CE2 4.29Å; L64-Y69 HydrophobicContact CD2-CD1 4.01Å; L64-Y69 HydrophobicContact CD2-CD2 4.43Å; L64-Y69 HydrophobicContact CD2-CE1 3.72Å; L64-Y69 HydrophobicContact CD2-CE2 4.16Å; L64-Y69 HydrophobicContact CD2-CG 4.36Å; L64-W75 HydrophobicContact CD2-CB 3.46Å; L64-W75 VanDerWaalsContact CD2-CB 3.46Å; L64-W75 HydrophobicContact CD2-CG 4.15Å |
| 65 | E | 93.6 | Very high | 95.4 | Very high | 136 Ų | 136 | 71.7 Ų | 71.7 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | trans | -89.4 | 174.7 | 173.6 | -63 | -174.5 | 154.9 | 0 | 0 | 110.1 | V44 G67 Y69 | V44-E65 VanDerWaalsContact CB-O 3.26Å; V44-E65 WeakPolarHBondContact CB-O 3.25Å; V44-E65 WeakPolarHBondContact CG2-O 3.11Å; E65-G67 PolarHBondContact O-N 3.3Å; E65-Y69 PolarHBondContact N-OH 2.93Å; E65-Y69 WeakPolarHBondContact O-CE2 3.37Å; E65-Y69 PolarHBondContact O-OH 3.41Å | ||
| 66 | H | 94.7 | Very high | 95.1 | Very high | 135 Ų | 135 | 76.5 Ų | 76.5 | 63% | 0.625 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -51.9 | 124.6 | 173.2 | 170.1 | -79.4 | 0 | 0 | 0 | 111.3 | E45 G47 | E45-H66 PolarHBondContact O-CD2 2.82Å; G47-H66 PolarHBondContact O-N 2.97Å |
| 67 | G | 96.7 | Very high | 94.9 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 19% | 0.186 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.5 | -171.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | V44 E65 | V44-G67 PolarHBondContact N-O 2.9Å; V44-G67 PolarHBondContact O-N 2.74Å; E65-G67 PolarHBondContact O-N 3.3Å |
| 68 | D | 98.3 | Very high | 94.6 | Very high | 92 Ų | 92 | 78.7 Ų | 78.7 | 49% | 0.492 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.1 | -174 | -75.7 | -41 | 0 | 0 | 0 | 112.1 | F16 H43 P70 | F16-D68 HydrophobicContact CZ-CB 3.9Å; H43-D68 IonicContact CE1-OD1 3.45Å; H43-D68 PolarHBondContact CE1-OD1 3.04Å; H43-D68 IonicContact CG-OD1 2.69Å; H43-D68 IonicContact ND1-OD1 2.68Å; H43-D68 PolarHBondContact ND1-OD1 2.65Å; D68-P70 WeakPolarHBondContact O-CD 3.41Å |
| 69 | Y | 98.1 | Very high | 94.5 | Very high | 35 Ų | 35 | 73.5 Ų | 73.5 | 14% | 0.137 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 84.7 | 179 | -57 | -95.8 | 0 | 0 | 0 | 110.2 | S41 I42 V44 L64 E65 D71 R74 W75 | S41-Y69 CarbonylContact C-O 3.37Å; S41-Y69 WeakPolarHBondContact CA-O 3.49Å; S41-Y69 WeakPolarHBondContact CB-O 3.38Å; I42-Y69 HydrophobicContact CB-CD2 4.47Å; I42-Y69 PolarHBondContact N-O 3.11Å; I42-Y69 WeakPolarHBondContact O-CA 3.37Å; I42-Y69 WeakPolarHBondContact O-CB 3.29Å; I42-Y69 PolarHBondContact O-N 2.79Å; V44-Y69 HydrophobicContact CG2-CD2 4.35Å; V44-Y69 HydrophobicContact CG2-CE2 3.92Å; L64-Y69 HydrophobicContact CB-CE2 4.29Å; L64-Y69 HydrophobicContact CD2-CD1 4.01Å; L64-Y69 HydrophobicContact CD2-CD2 4.43Å; L64-Y69 HydrophobicContact CD2-CE1 3.72Å; L64-Y69 HydrophobicContact CD2-CE2 4.16Å; L64-Y69 HydrophobicContact CD2-CG 4.36Å; E65-Y69 PolarHBondContact N-OH 2.93Å; E65-Y69 WeakPolarHBondContact O-CE2 3.37Å; E65-Y69 PolarHBondContact O-OH 3.41Å; Y69-D71 VanDerWaalsContact C-N 3.28Å; Y69-D71 PolarHBondContact O-N 2.95Å; Y69-R74 HydrophobicContact CD1-CB 3.86Å; Y69-W75 HydrophobicContact CD1-CE3 4.13Å; Y69-W75 HydrophobicContact CG-CE3 4.16Å |
| 70 | P | 97.6 | Very high | 94.4 | Very high | 35 Ų | 35 | 73.4 Ų | 73.4 | 23% | 0.227 | 36% | 0.358 | C | S | . | . | trans | -73.5 | -10.9 | -172.8 | 27.3 | -37.3 | 0 | 0 | 0 | 115.7 | H15 F16 S41 D68 R74 | H15-P70 PolarHBondContact N-O 3.26Å; F16-P70 HydrophobicContact CE2-CB 4.34Å; F16-P70 HydrophobicContact CZ-CB 4.12Å; S41-P70 WeakPolarHBondContact CB-O 3.5Å; D68-P70 WeakPolarHBondContact O-CD 3.41Å; P70-R74 HydrophobicContact CG-CG 4.41Å | ||
| 71 | D | 95.5 | Very high | 94.4 | Very high | 32 Ų | 32 | 72.2 Ų | 72.2 | 17% | 0.171 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -152.3 | 151.2 | -179.3 | -162.9 | -12.7 | 0 | 0 | 0 | 110 | K14 N40 Y69 F73 R74 W75 | K14-D71 WeakPolarHBondContact CE-OD1 3.37Å; K14-D71 IonicContact NZ-OD1 2.75Å; K14-D71 PolarHBondContact NZ-OD1 3.04Å; K14-D71 IonicContact NZ-OD2 3.52Å; K14-D71 PolarHBondContact NZ-OD2 3.25Å; N40-D71 VanDerWaalsContact O-CA 3.27Å; N40-D71 WeakPolarHBondContact O-CA 3.33Å; Y69-D71 VanDerWaalsContact C-N 3.28Å; Y69-D71 PolarHBondContact O-N 2.95Å; D71-F73 PolarHBondContact O-N 3.43Å; D71-R74 WeakPolarHBondContact O-CB 3.31Å; D71-R74 VanDerWaalsContact O-CG 3.26Å; D71-R74 WeakPolarHBondContact O-CG 3.46Å; D71-R74 PolarHBondContact O-N 3.16Å; D71-W75 WeakPolarHBondContact O-CZ3 3.26Å |
| 72 | F | 92 | Very high | 94.5 | Very high | 28 Ų | 28 | 67.6 Ų | 67.6 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -66.1 | -20.2 | -174.4 | 61.7 | -107 | 0 | 0 | 0 | 115.2 | R74 W75 S77 D80 | F72-R74 PolarHBondContact O-N 3.21Å; F72-W75 VanDerWaalsContact CA-CE2 3.4Å; F72-W75 HydrophobicContact CB-CD2 4.44Å; F72-W75 HydrophobicContact CB-CH2 3.71Å; F72-W75 HydrophobicContact CB-CZ2 3.21Å; F72-W75 HydrophobicContact CB-CZ3 4.47Å; F72-W75 PolarHBondContact O-N 3.06Å; F72-S77 WeakPolarHBondContact CD2-O 3.18Å; F72-S77 PolarHBondContact O-N 2.97Å; F72-D80 HydrophobicContact CD1-CB 4.11Å; F72-D80 HydrophobicContact CE1-CB 4.45Å |
| 73 | F | 93 | Very high | 94.6 | Very high | 118 Ų | 118 | 67.1 Ų | 67.1 | 52% | 0.518 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -62.4 | -21.8 | 169.8 | -60.8 | -65.9 | 0 | 0 | 0 | 112.9 | D71 W75 N76 | D71-F73 PolarHBondContact O-N 3.43Å; F73-W75 PolarHBondContact O-N 3.04Å; F73-N76 PolarHBondContact O-N 2.73Å |
| 74 | R | 94.7 | Very high | 94.7 | Very high | 165 Ų | 165 | 61.6 Ų | 61.6 | 62% | 0.623 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -71.6 | -17.4 | -177.8 | -62.6 | -69.7 | -66.8 | -174.5 | -2.1 | 113.6 | Y69 P70 D71 F72 | Y69-R74 HydrophobicContact CD1-CB 3.86Å; P70-R74 HydrophobicContact CG-CG 4.41Å; D71-R74 WeakPolarHBondContact O-CB 3.31Å; D71-R74 VanDerWaalsContact O-CG 3.26Å; D71-R74 WeakPolarHBondContact O-CG 3.46Å; D71-R74 PolarHBondContact O-N 3.16Å; F72-R74 PolarHBondContact O-N 3.21Å |
| 75 | W | 93.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -115.2 | 24 | 172.4 | 59.1 | 85 | 0 | 0 | 0 | 112.1 | V39 I42 F62 L64 Y69 D71 F72 F73 S77 M82 | V39-W75 HydrophobicContact CG1-CH2 4.3Å; V39-W75 HydrophobicContact CG1-CZ2 4.32Å; I42-W75 HydrophobicContact CB-CZ3 4.34Å; I42-W75 HydrophobicContact CD1-CD2 4.34Å; I42-W75 HydrophobicContact CD1-CE3 4.19Å; I42-W75 HydrophobicContact CD1-CH2 3.88Å; I42-W75 HydrophobicContact CD1-CZ2 4.04Å; I42-W75 HydrophobicContact CD1-CZ3 3.98Å; I42-W75 HydrophobicContact CG1-CH2 3.89Å; I42-W75 HydrophobicContact CG1-CZ2 4.48Å; I42-W75 HydrophobicContact CG1-CZ3 3.97Å; F62-W75 AromaticContact CD1-CD1 3.65Å; F62-W75 WeakPolarHBondContact CD1-O 3.47Å; F62-W75 AromaticContact CG-CD1 3.88Å; L64-W75 HydrophobicContact CD2-CB 3.46Å; L64-W75 VanDerWaalsContact CD2-CB 3.46Å; L64-W75 HydrophobicContact CD2-CG 4.15Å; Y69-W75 HydrophobicContact CD1-CE3 4.13Å; Y69-W75 HydrophobicContact CG-CE3 4.16Å; D71-W75 WeakPolarHBondContact O-CZ3 3.26Å; F72-W75 VanDerWaalsContact CA-CE2 3.4Å; F72-W75 HydrophobicContact CB-CD2 4.44Å; F72-W75 HydrophobicContact CB-CH2 3.71Å; F72-W75 HydrophobicContact CB-CZ2 3.21Å; F72-W75 HydrophobicContact CB-CZ3 4.47Å; F72-W75 PolarHBondContact O-N 3.06Å; F73-W75 PolarHBondContact O-N 3.04Å; W75-S77 VanDerWaalsContact CD1-CB 3.42Å; W75-S77 PolarHBondContact O-N 3.33Å; W75-M82 HydrophobicContact CD2-CE 4.14Å; W75-M82 HydrophobicContact CG-CE 4.33Å; W75-M82 HydrophobicContact CZ2-CE 3.6Å |
| 76 | N | 91.9 | Very high | 95 | Very high | 134 Ų | 134 | 55.8 Ų | 55.8 | 72% | 0.717 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 30.7 | 179.2 | -61.6 | -24.4 | 0 | 0 | 0 | 114.2 | F73 | F73-N76 PolarHBondContact O-N 2.73Š|
| 77 | S | 91.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | trans | -86.1 | 152.2 | 169.4 | -173.4 | 0 | 0 | 0 | 0 | 111.4 | F72 W75 S79 | F72-S77 WeakPolarHBondContact CD2-O 3.18Å; F72-S77 PolarHBondContact O-N 2.97Å; W75-S77 VanDerWaalsContact CD1-CB 3.42Å; W75-S77 PolarHBondContact O-N 3.33Å; S77-S79 PolarHBondContact OG-N 2.84Å; S77-S79 VanDerWaalsContact OG-N 3.1Å; S77-S79 PolarHBondContact OG-O 2.8Å | ||
| 78 | H | 90.3 | Very high | 94.5 | Very high | 170 Ų | 170 | 51.4 Ų | 51.4 | 79% | 0.787 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -105.9 | 3.2 | 170.9 | -61.7 | -69.6 | 0 | 0 | 0 | 112.7 | ||
| 79 | S | 92.1 | Very high | 93.6 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -143 | 152.1 | -178.3 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | S77 H81 | S77-S79 PolarHBondContact OG-N 2.84Å; S77-S79 VanDerWaalsContact OG-N 3.1Å; S77-S79 PolarHBondContact OG-O 2.8Å; S79-H81 PolarHBondContact O-N 2.86Å; S79-H81 WeakPolarHBondContact OG-CB 3.2Å; S79-H81 PolarHBondContact OG-N 3.29Å; S79-H81 VanDerWaalsContact OG-N 3.17Å |
| 80 | D | 92.3 | Very high | 92.1 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -85.5 | 14 | 172.8 | 65.5 | -18.3 | 0 | 0 | 0 | 112.9 | R38 V39 N40 F72 | R38-D80 CarbonylContact C-O 3.57Å; R38-D80 WeakPolarHBondContact CA-O 3.34Å; R38-D80 VanDerWaalsContact CG-OD2 3.25Å; R38-D80 WeakPolarHBondContact CG-OD2 3.24Å; R38-D80 IonicContact CZ-OD2 3.41Å; R38-D80 IonicContact NE-OD2 2.65Å; R38-D80 PolarHBondContact NE-OD2 2.67Å; R38-D80 IonicContact NH2-OD2 3.02Å; V39-D80 PolarHBondContact N-O 2.79Å; V39-D80 WeakPolarHBondContact O-CA 3.47Å; N40-D80 PolarHBondContact ND2-OD2 3.12Å; N40-D80 VanDerWaalsContact ND2-OD2 3.12Å; N40-D80 WeakPolarHBondContact OD1-CB 3.38Å; F72-D80 HydrophobicContact CD1-CB 4.11Å; F72-D80 HydrophobicContact CE1-CB 4.45Å |
| 81 | H | 95.4 | Very high | 90.3 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -89.4 | 122.5 | -178.6 | -157 | 64.4 | 0 | 0 | 0 | 112.8 | N37 N53 S79 | N37-H81 WeakPolarHBondContact CB-CE1 3.16Å; N37-H81 WeakPolarHBondContact O-CA 3.11Å; N37-H81 PolarHBondContact O-ND1 2.84Å; N37-H81 VanDerWaalsContact O-ND1 3.11Å; N53-H81 PolarHBondContact O-CD2 3.32Å; S79-H81 PolarHBondContact O-N 2.86Å; S79-H81 WeakPolarHBondContact OG-CB 3.2Å; S79-H81 PolarHBondContact OG-N 3.29Å; S79-H81 VanDerWaalsContact OG-N 3.17Å |
| 82 | M | 97.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | trans | -140.6 | 139.9 | 168.1 | -69 | -172.8 | -171.7 | 0 | 0 | 110.7 | L10 F30 N37 V39 I42 C51 F52 F62 W75 | L10-M82 HydrophobicContact CD2-SD 4.21Å; F30-M82 HydrophobicContact CD2-CB 4.4Å; F30-M82 WeakPolarHBondContact CD2-O 3.45Å; F30-M82 HydrophobicContact CE2-CB 3.64Å; F30-M82 WeakPolarHBondContact CE2-O 3.39Å; N37-M82 CarbonylContact C-O 3.34Å; N37-M82 WeakPolarHBondContact CA-O 3.38Å; N37-M82 WeakPolarHBondContact CB-O 3.37Å; N37-M82 PolarHBondContact O-N 3.19Å; N37-M82 VanDerWaalsContact O-N 3.11Å; V39-M82 HydrophobicContact CB-CB 4.27Å; V39-M82 HydrophobicContact CB-CG 4.27Å; V39-M82 HydrophobicContact CB-SD 4.2Å; V39-M82 HydrophobicContact CG1-SD 4.09Å; V39-M82 HydrophobicContact CG2-CB 3.84Å; V39-M82 HydrophobicContact CG2-CG 4.35Å; V39-M82 HydrophobicContact CG2-SD 4.35Å; I42-M82 HydrophobicContact CD1-CE 3.67Å; I42-M82 HydrophobicContact CD1-SD 3.85Å; C51-M82 HydrophobicContact CB-CE 4.4Å; C51-M82 HydrophobicContact CB-SD 3.78Å; F52-M82 WeakPolarHBondContact O-CA 3.39Å; F62-M82 HydrophobicContact CD2-CE 4.06Å; F62-M82 HydrophobicContact CE2-CE 4.45Å; W75-M82 HydrophobicContact CD2-CE 4.14Å; W75-M82 HydrophobicContact CG-CE 4.33Å; W75-M82 HydrophobicContact CZ2-CE 3.6Å | ||
| 83 | G | 97.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -121.7 | -21.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N29 F30 F52 N53 | N29-G83 WeakPolarHBondContact CA-O 3.33Å; F30-G83 WeakPolarHBondContact CD1-O 3.27Å; F30-G83 WeakPolarHBondContact CG-O 3.49Å; F30-G83 PolarHBondContact N-O 2.87Å; F52-G83 PolarHBondContact O-N 2.87Å; N53-G83 PolarHBondContact O-N 3.49Å | ||
| 84 | S | 98.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 159 | -179.6 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | C27 D28 F30 F52 H54 F57 | C27-S84 CarbonylContact O-C 3.57Å; C27-S84 WeakPolarHBondContact O-CA 3.17Å; C27-S84 WeakPolarHBondContact O-CB 3.19Å; D28-S84 VanDerWaalsContact O-CB 3.25Å; D28-S84 WeakPolarHBondContact O-CB 3.25Å; F30-S84 VanDerWaalsContact CE1-CA 3.42Å; F30-S84 VanDerWaalsContact CZ-C 3.43Å; F52-S84 WeakPolarHBondContact CB-OG 3.33Å; F52-S84 PolarHBondContact N-O 2.66Å; F52-S84 PolarHBondContact O-N 2.91Å; H54-S84 PolarHBondContact O-N 3.24Å; H54-S84 PolarHBondContact O-OG 3.34Å; F57-S84 VanDerWaalsContact CA-OG 3.27Å; F57-S84 WeakPolarHBondContact CA-OG 3.45Å; F57-S84 PolarHBondContact N-OG 2.93Å |
| 85 | C | 97.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 155.5 | 174.6 | 67.2 | 0 | 0 | 0 | 0 | 112.4 | C27 F30 W49 V50 C51 F57 | C27-C85 PolarHBondContact N-O 3.09Å; C27-C85 PolarHBondContact O-N 2.97Å; F30-C85 HydrophobicContact CE1-CB 4.18Å; F30-C85 HydrophobicContact CZ-CB 4.02Å; W49-C85 HydrophobicContact CE3-CB 4.24Å; V50-C85 CarbonylContact O-C 3.49Å; V50-C85 VanDerWaalsContact O-CA 3.29Å; V50-C85 WeakPolarHBondContact O-CA 3.41Å; C51-C85 HydrophobicContact CB-CB 4.29Å; C51-C85 VanDerWaalsContact SG-CB 3.51Å; F57-C85 WeakPolarHBondContact CE1-O 3.47Å |
| 86 | R | 95.7 | Very high | 85 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 5% | 0.053 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 149.3 | 172.8 | 53.3 | -177.3 | 159.1 | 144.2 | -3.4 | 111.5 | D26 W49 V50 F52 F57 S145 | D26-R86 HydrophobicContact CB-CB 4.39Å; D26-R86 WeakPolarHBondContact OD1-CB 3.49Å; W49-R86 WeakPolarHBondContact CA-O 3.44Å; V50-R86 HydrophobicContact CG1-CG 3.51Å; V50-R86 PolarHBondContact N-O 3.19Å; V50-R86 PolarHBondContact O-N 2.84Å; F52-R86 HydrophobicContact CE2-CG 4.13Å; F57-R86 HydrophobicContact CD1-CB 4.49Å; F57-R86 HydrophobicContact CD1-CG 4.14Å; F57-R86 HydrophobicContact CE1-CB 4.01Å; F57-R86 HydrophobicContact CE1-CG 4.16Å; R86-S145 PolarHBondContact NH1-OG 3.28Å |
| 87 | P | 93.6 | Very high | 85 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 142.5 | 172.9 | 27.7 | -35.9 | 0 | 0 | 0 | 110.9 | D26 W49 | D26-P87 WeakPolarHBondContact OD1-CD 3.21Å; W49-P87 HydrophobicContact CD2-CB 4.49Å; W49-P87 HydrophobicContact CZ2-CB 4.45Å |
| 88 | V | 88.9 | Confident | 85.1 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 115.7 | 170.3 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | A48 V50 M90 A139 | A48-V88 HydrophobicContact CB-CB 4.1Å; A48-V88 HydrophobicContact CB-CG2 4.39Å; A48-V88 PolarHBondContact O-N 2.84Å; V50-V88 HydrophobicContact CB-CG2 4.18Å; V50-V88 HydrophobicContact CG1-CG2 4.22Å; V88-M90 PolarHBondContact O-N 3.11Å; V88-M90 VanDerWaalsContact O-N 3.12Å; V88-A139 HydrophobicContact CG1-CB 3.6Å |
| 89 | G | 78.9 | Confident | 85.3 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 94.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H91 A139 A140 | G89-H91 VanDerWaalsContact C-ND1 3.33Å; G89-H91 PolarHBondContact O-N 3.45Å; G89-H91 PolarHBondContact O-ND1 3.12Å; G89-A139 CarbonylContact O-C 3.47Å; G89-A139 VanDerWaalsContact O-CA 3.24Å; G89-A139 WeakPolarHBondContact O-CA 3.47Å; G89-A140 PolarHBondContact O-N 3.19Å |
| 90 | M | 65.9 | Low | 85.5 | Confident | 148 Ų | 148 | 52.1 Ų | 52.1 | 73% | 0.729 | 26% | 0.257 | S | S | * | . | trans | -78.1 | 108.8 | 173 | -57.7 | -166.4 | 80.3 | 0 | 0 | 109.7 | V88 | V88-M90 PolarHBondContact O-N 3.11Å; V88-M90 VanDerWaalsContact O-N 3.12Å | ||
| 91 | H | 59.5 | Low | 85.5 | Confident | 103 Ų | 103 | 52.8 Ų | 52.8 | 48% | 0.477 | 26% | 0.259 | S | S | . | . | trans | -106.7 | -4.6 | -177 | -65.8 | 72.3 | 0 | 0 | 0 | 114.6 | G89 D137 A140 | G89-H91 VanDerWaalsContact C-ND1 3.33Å; G89-H91 PolarHBondContact O-N 3.45Å; G89-H91 PolarHBondContact O-ND1 3.12Å; H91-D137 VanDerWaalsContact C-CG 3.46Å; H91-D137 CarbonylContact C-O 3.53Å; H91-D137 WeakPolarHBondContact CA-O 3.4Å; H91-D137 HydrophobicContact CB-CB 3.66Å; H91-D137 WeakPolarHBondContact CB-O 3.26Å; H91-D137 PolarHBondContact N-O 3.17Å; H91-D137 VanDerWaalsContact O-CG 3.24Å; H91-A140 WeakPolarHBondContact CE1-CB 3.36Å; H91-A140 WeakPolarHBondContact ND1-CB 3.29Å | ||
| 92 | G | 60.7 | Low | 85.3 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 32% | 0.32 | 25% | 0.251 | S | S | . | . | trans | -137.2 | 153.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.1 | H94 D137 | G92-H94 VanDerWaalsContact C-N 3.34Å; G92-D137 WeakPolarHBondContact CA-OD1 3.24Å; G92-D137 PolarHBondContact N-O 3.22Å | ||
| 93 | E | 63.8 | Low | 85 | Confident | 189 Ų | 189 | 53.7 Ų | 53.7 | 88% | 0.883 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -84.1 | -11.9 | 167.9 | -60.5 | -140.3 | 143 | 0 | 0 | 112.6 | ||
| 94 | H | 70.3 | Confident | 84.8 | Confident | 156 Ų | 156 | 60.2 Ų | 60.2 | 72% | 0.722 | 31% | 0.31 | S | S | * | . | trans | -128.7 | 116.4 | -180 | -61.4 | -64.2 | 0 | 0 | 0 | 109.7 | G92 | G92-H94 VanDerWaalsContact C-N 3.34Š| ||
| 95 | F | 77.8 | Confident | 84.5 | Confident | 77 Ų | 77 | 65 Ų | 65 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | trans | -99.3 | 147.2 | 165.1 | 67.6 | -91 | 0 | 0 | 0 | 109.2 | ||||
| 96 | R | 86.3 | Confident | 84.3 | Confident | 98 Ų | 98 | 68.7 Ų | 68.7 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 126.3 | 167.3 | 168.9 | -176.3 | 174.4 | -171.2 | -0.9 | 108.2 | E98 E111 F112 L113 Y135 | R96-E98 IonicContact CZ-OE1 2.7Å; R96-E98 IonicContact NE-OE1 3.09Å; R96-E98 IonicContact NH2-OE1 3.61Å; R96-E98 PolarHBondContact NH2-OE1 2.76Å; R96-E111 WeakPolarHBondContact CD-OE1 3.44Å; R96-E111 HydrophobicContact CG-CG 4.33Å; R96-E111 IonicContact CZ-OE1 3.21Å; R96-E111 IonicContact NE-OE1 4Å; R96-E111 PolarHBondContact NE-OE1 2.7Å; R96-E111 IonicContact NH2-OE1 2.66Å; R96-E111 PolarHBondContact NH2-OE1 2.76Å; R96-F112 WeakPolarHBondContact CA-O 3.19Å; R96-L113 HydrophobicContact CB-CD2 3.74Å; R96-L113 HydrophobicContact CG-CD2 3.81Å; R96-Y135 HydrophobicContact CG-CD2 3.91Å; R96-Y135 HydrophobicContact CG-CG 4.32Å; R96-Y135 PolarHBondContact N-O 2.66Å; R96-Y135 PolarHBondContact O-N 2.78Å |
| 97 | L | 91.7 | Very high | 84.1 | Confident | 48 Ų | 48 | 71 Ų | 71 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.1 | -179.1 | -176.4 | 147.3 | 0 | 0 | 0 | 109.2 | I99 E111 F112 I132 K133 V134 | L97-I99 HydrophobicContact CD2-CG2 3.39Å; L97-E111 CarbonylContact O-C 3.43Å; L97-E111 WeakPolarHBondContact O-CA 3.44Å; L97-F112 HydrophobicContact CB-CB 4.35Å; L97-F112 HydrophobicContact CD2-CD2 3.75Å; L97-F112 HydrophobicContact CD2-CE2 4.44Å; L97-F112 HydrophobicContact CD2-CG 4.42Å; L97-F112 PolarHBondContact N-O 3.1Å; L97-F112 PolarHBondContact O-N 3.19Å; L97-I132 HydrophobicContact CD1-CG2 3.89Å; L97-I132 HydrophobicContact CD2-CG2 4.04Å; L97-I132 HydrophobicContact CG-CG2 3.76Å; L97-K133 CarbonylContact C-O 3.51Å; L97-K133 WeakPolarHBondContact CA-O 3.2Å; L97-V134 HydrophobicContact CD1-CG2 4.25Å |
| 98 | E | 93.6 | Very high | 84.1 | Confident | 20 Ų | 20 | 72.9 Ų | 72.9 | 9% | 0.093 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.3 | 171.7 | -69.6 | 173 | 177.9 | 0 | 0 | 109.3 | R96 F100 L110 E111 I132 K133 Y135 | R96-E98 IonicContact CZ-OE1 2.7Å; R96-E98 IonicContact NE-OE1 3.09Å; R96-E98 IonicContact NH2-OE1 3.61Å; R96-E98 PolarHBondContact NH2-OE1 2.76Å; E98-F100 HydrophobicContact CB-CD2 4.46Å; E98-F100 HydrophobicContact CB-CE2 3.59Å; E98-F100 HydrophobicContact CB-CZ 4.03Å; E98-F100 WeakPolarHBondContact OE2-CZ 3.26Å; E98-L110 VanDerWaalsContact CA-O 3.29Å; E98-L110 WeakPolarHBondContact CA-O 3.46Å; E98-E111 HydrophobicContact CG-CB 4.34Å; E98-E111 HydrophobicContact CG-CG 4.45Å; E98-I132 CarbonylContact O-C 3.53Å; E98-I132 VanDerWaalsContact O-CA 3.27Å; E98-I132 WeakPolarHBondContact O-CA 3.02Å; E98-K133 HydrophobicContact CB-CB 4.31Å; E98-K133 PolarHBondContact N-O 3.12Å; E98-K133 PolarHBondContact O-N 2.96Å; E98-Y135 HydrophobicContact CB-CE2 4.11Å; E98-Y135 HydrophobicContact CG-CD2 4.47Å; E98-Y135 HydrophobicContact CG-CE2 3.7Å; E98-Y135 VanDerWaalsContact OE2-CE2 3.26Å; E98-Y135 WeakPolarHBondContact OE2-CE2 3.34Å; E98-Y135 PolarHBondContact OE2-OH 2.95Å |
| 99 | I | 94.9 | Very high | 84.4 | Confident | 7 Ų | 7 | 73.8 Ų | 73.8 | 4% | 0.036 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 142.5 | 171.6 | 72.7 | -173.7 | 0 | 0 | 0 | 110 | L97 C109 L110 F112 L119 W124 V129 I132 | L97-I99 HydrophobicContact CD2-CG2 3.39Å; I99-C109 VanDerWaalsContact O-CA 3.3Å; I99-C109 WeakPolarHBondContact O-CA 3.4Å; I99-L110 HydrophobicContact CD1-CB 4.35Å; I99-L110 HydrophobicContact CG1-CB 4.05Å; I99-L110 PolarHBondContact N-O 2.61Å; I99-L110 PolarHBondContact O-N 3.1Å; I99-L110 VanDerWaalsContact O-N 3.07Å; I99-F112 HydrophobicContact CB-CE2 4.45Å; I99-F112 HydrophobicContact CD1-CE2 3.55Å; I99-F112 HydrophobicContact CD1-CZ 3.75Å; I99-F112 HydrophobicContact CG1-CE2 3.76Å; I99-F112 HydrophobicContact CG1-CZ 4.43Å; I99-F112 HydrophobicContact CG2-CD2 4.46Å; I99-F112 HydrophobicContact CG2-CE2 4.04Å; I99-L119 HydrophobicContact CD1-CD1 4.23Å; I99-L119 HydrophobicContact CD1-CD2 4.24Å; I99-W124 HydrophobicContact CD1-CD2 3.71Å; I99-W124 HydrophobicContact CD1-CE3 3.77Å; I99-W124 HydrophobicContact CD1-CG 4.2Å; I99-W124 HydrophobicContact CD1-CH2 4.24Å; I99-W124 HydrophobicContact CD1-CZ2 4.25Å; I99-W124 HydrophobicContact CD1-CZ3 4.03Å; I99-W124 HydrophobicContact CG1-CD2 4.34Å; I99-W124 HydrophobicContact CG1-CE3 3.98Å; I99-W124 HydrophobicContact CG1-CH2 3.88Å; I99-W124 HydrophobicContact CG1-CZ2 4.31Å; I99-W124 HydrophobicContact CG1-CZ3 3.73Å; I99-V129 HydrophobicContact CB-CG1 3.74Å; I99-V129 HydrophobicContact CB-CG2 4.23Å; I99-V129 HydrophobicContact CD1-CG2 4Å; I99-V129 HydrophobicContact CG1-CG2 4.49Å; I99-V129 HydrophobicContact CG2-CG1 4.08Å; I99-I132 HydrophobicContact CG2-CG1 4.19Å |
| 100 | F | 94.6 | Very high | 85.1 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 6% | 0.057 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142 | -176.8 | -64.5 | -95.4 | 0 | 0 | 0 | 111.9 | E98 F105 Q108 C109 N130 T131 K133 | E98-F100 HydrophobicContact CB-CD2 4.46Å; E98-F100 HydrophobicContact CB-CE2 3.59Å; E98-F100 HydrophobicContact CB-CZ 4.03Å; E98-F100 WeakPolarHBondContact OE2-CZ 3.26Å; F100-F105 VanDerWaalsContact CD1-C 3.44Å; F100-F105 HydrophobicContact CD1-CB 3.98Å; F100-F105 WeakPolarHBondContact CD1-O 3.43Å; F100-F105 HydrophobicContact CD2-CB 4.4Å; F100-F105 AromaticContact CD2-CD1 3.97Å; F100-F105 HydrophobicContact CD2-CD1 3.97Å; F100-F105 HydrophobicContact CE1-CB 3.88Å; F100-F105 HydrophobicContact CE2-CB 4.33Å; F100-F105 AromaticContact CE2-CD1 3.97Å; F100-F105 HydrophobicContact CE2-CD1 3.97Å; F100-F105 HydrophobicContact CG-CB 4.24Å; F100-F105 HydrophobicContact CG-CD1 4.49Å; F100-F105 HydrophobicContact CZ-CB 4.08Å; F100-F105 HydrophobicContact CZ-CD1 4.48Å; F100-Q108 WeakPolarHBondContact CA-O 3.38Å; F100-C109 HydrophobicContact CD1-CB 3.88Å; F100-C109 HydrophobicContact CE1-CB 3.74Å; F100-C109 WeakPolarHBondContact CE1-SG 3.29Å; F100-C109 HydrophobicContact CZ-CB 4.42Å; F100-C109 VanDerWaalsContact CZ-SG 3.55Å; F100-N130 PolarHBondContact O-N 3.22Å; F100-N130 VanDerWaalsContact O-N 3.12Å; F100-T131 PolarHBondContact N-O 3.46Å; F100-T131 PolarHBondContact O-N 3.48Å; F100-K133 HydrophobicContact CE2-CB 4.33Å; F100-K133 HydrophobicContact CE2-CD 3.83Å; F100-K133 HydrophobicContact CE2-CG 3.82Å; F100-K133 HydrophobicContact CZ-CD 4.1Å |
| 101 | E | 93.6 | Very high | 86.5 | Confident | 61 Ų | 61 | 72 Ų | 72 | 29% | 0.285 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -74.3 | -41.2 | 179.4 | 175.4 | -177.6 | -165.4 | 0 | 0 | 110.3 | Q108 W124 K126 N130 | E101-Q108 HydrophobicContact CB-CB 4.15Å; E101-Q108 PolarHBondContact N-O 3.37Å; E101-Q108 PolarHBondContact OE2-N 2.75Å; E101-W124 HydrophobicContact CB-CH2 4.05Å; E101-K126 VanDerWaalsContact OE1-CE 3.22Å; E101-K126 WeakPolarHBondContact OE1-CE 3.37Å; E101-K126 IonicContact OE1-NZ 3.78Å; E101-K126 PolarHBondContact OE1-NZ 2.96Å; E101-K126 IonicContact OE2-NZ 2.68Å; E101-N130 WeakPolarHBondContact O-CB 3.36Å; E101-N130 PolarHBondContact O-ND2 2.86Å |
| 102 | G | 91.1 | Very high | 87.9 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -96 | 159.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T106 T131 | G102-T106 WeakPolarHBondContact CA-O 3.41Å; G102-T106 WeakPolarHBondContact CA-OG1 3.27Å; G102-T106 PolarHBondContact N-O 3.18Å; G102-T131 PolarHBondContact O-OG1 3.33Å |
| 103 | C | 91.6 | Very high | 89.2 | Confident | 77 Ų | 77 | 71.1 Ų | 71.1 | 52% | 0.52 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -62 | 158.9 | 164.9 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | F105 T106 | C103-F105 PolarHBondContact O-N 2.92Å; C103-T106 PolarHBondContact O-N 3.21Å; C103-T106 PolarHBondContact O-OG1 3.02Å |
| 104 | N | 92.3 | Very high | 90.3 | Very high | 137 Ų | 137 | 68.6 Ų | 68.6 | 73% | 0.733 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | 57.2 | 33.6 | 177.8 | -54.9 | -40.6 | 0 | 0 | 0 | 113.7 | T106 | N104-T106 PolarHBondContact O-N 3.22Š|
| 105 | F | 92.1 | Very high | 91 | Very high | 101 Ų | 101 | 67.9 Ų | 67.9 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | 63.8 | 38.7 | 174.8 | -38.3 | -66.5 | 0 | 0 | 0 | 114.3 | F100 C103 T131 K133 | F100-F105 VanDerWaalsContact CD1-C 3.44Å; F100-F105 HydrophobicContact CD1-CB 3.98Å; F100-F105 WeakPolarHBondContact CD1-O 3.43Å; F100-F105 HydrophobicContact CD2-CB 4.4Å; F100-F105 AromaticContact CD2-CD1 3.97Å; F100-F105 HydrophobicContact CD2-CD1 3.97Å; F100-F105 HydrophobicContact CE1-CB 3.88Å; F100-F105 HydrophobicContact CE2-CB 4.33Å; F100-F105 AromaticContact CE2-CD1 3.97Å; F100-F105 HydrophobicContact CE2-CD1 3.97Å; F100-F105 HydrophobicContact CG-CB 4.24Å; F100-F105 HydrophobicContact CG-CD1 4.49Å; F100-F105 HydrophobicContact CZ-CB 4.08Å; F100-F105 HydrophobicContact CZ-CD1 4.48Å; C103-F105 PolarHBondContact O-N 2.92Å; F105-T131 HydrophobicContact CD1-CG2 3.34Å; F105-T131 HydrophobicContact CE1-CG2 3.24Å; F105-T131 HydrophobicContact CG-CG2 4.38Å; F105-T131 HydrophobicContact CZ-CG2 4.21Å; F105-K133 HydrophobicContact CD1-CD 3.83Å; F105-K133 HydrophobicContact CD1-CG 3.55Å; F105-K133 HydrophobicContact CE1-CD 3.86Å; F105-K133 HydrophobicContact CE1-CG 3.25Å; F105-K133 HydrophobicContact CG-CD 4.35Å; F105-K133 HydrophobicContact CZ-CD 4.43Å; F105-K133 HydrophobicContact CZ-CG 4.05Å |
| 106 | T | 92.9 | Very high | 91.5 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | trans | -108.3 | 165.9 | -178.9 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | G102 C103 N104 | G102-T106 WeakPolarHBondContact CA-O 3.41Å; G102-T106 WeakPolarHBondContact CA-OG1 3.27Å; G102-T106 PolarHBondContact N-O 3.18Å; C103-T106 PolarHBondContact O-N 3.21Å; C103-T106 PolarHBondContact O-OG1 3.02Å; N104-T106 PolarHBondContact O-N 3.22Å | ||
| 107 | G | 92.2 | Very high | 91.5 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 65% | 0.649 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 78.4 | -155.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C109 | G107-C109 PolarHBondContact O-N 2.65Š|
| 108 | Q | 93.9 | Very high | 91.3 | Very high | 65 Ų | 65 | 70.4 Ų | 70.4 | 30% | 0.304 | 39% | 0.39 | S | S | . | . | trans | -60.6 | 135.7 | 177.1 | -172.8 | -179.4 | 13.3 | 0 | 0 | 110.5 | F100 E101 G123 W124 | F100-Q108 WeakPolarHBondContact CA-O 3.38Å; E101-Q108 HydrophobicContact CB-CB 4.15Å; E101-Q108 PolarHBondContact N-O 3.37Å; E101-Q108 PolarHBondContact OE2-N 2.75Å; Q108-G123 PolarHBondContact NE2-O 3.21Å; Q108-W124 HydrophobicContact CB-CZ3 4.37Å; Q108-W124 HydrophobicContact CG-CE3 4.48Å; Q108-W124 HydrophobicContact CG-CZ3 4.14Å | ||
| 109 | C | 94.4 | Very high | 91.1 | Very high | 53 Ų | 53 | 72.2 Ų | 72.2 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 137.2 | 176.9 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | I99 F100 G107 | I99-C109 VanDerWaalsContact O-CA 3.3Å; I99-C109 WeakPolarHBondContact O-CA 3.4Å; F100-C109 HydrophobicContact CD1-CB 3.88Å; F100-C109 HydrophobicContact CE1-CB 3.74Å; F100-C109 WeakPolarHBondContact CE1-SG 3.29Å; F100-C109 HydrophobicContact CZ-CB 4.42Å; F100-C109 VanDerWaalsContact CZ-SG 3.55Å; G107-C109 PolarHBondContact O-N 2.65Å |
| 110 | L | 94.6 | Very high | 90.8 | Very high | 31 Ų | 31 | 77.5 Ų | 77.5 | 16% | 0.162 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.4 | 168.5 | -68.3 | -179.4 | 0 | 0 | 0 | 110.5 | E98 I99 F112 R122 W124 | E98-L110 VanDerWaalsContact CA-O 3.29Å; E98-L110 WeakPolarHBondContact CA-O 3.46Å; I99-L110 HydrophobicContact CD1-CB 4.35Å; I99-L110 HydrophobicContact CG1-CB 4.05Å; I99-L110 PolarHBondContact N-O 2.61Å; I99-L110 PolarHBondContact O-N 3.1Å; I99-L110 VanDerWaalsContact O-N 3.07Å; L110-F112 HydrophobicContact CB-CE2 3.74Å; L110-F112 HydrophobicContact CB-CZ 3.99Å; L110-F112 HydrophobicContact CD1-CZ 4.32Å; L110-R122 HydrophobicContact CD1-CB 4.06Å; L110-R122 WeakPolarHBondContact CD1-O 3.3Å; L110-R122 WeakPolarHBondContact CD2-O 3.48Å; L110-W124 HydrophobicContact CB-CE3 4.47Å; L110-W124 HydrophobicContact CD1-CB 3.72Å; L110-W124 HydrophobicContact CD1-CD2 4.28Å; L110-W124 HydrophobicContact CD1-CE3 3.59Å; L110-W124 HydrophobicContact CD1-CG 4.4Å; L110-W124 HydrophobicContact CG-CE3 3.85Å; L110-W124 HydrophobicContact CG-CZ3 4.32Å |
| 111 | E | 93.7 | Very high | 90.6 | Very high | 90 Ų | 90 | 81.1 Ų | 81.1 | 42% | 0.421 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 139.9 | 176.1 | -179.2 | -179.7 | -118.1 | 0 | 0 | 110.8 | R96 L97 E98 L113 | R96-E111 WeakPolarHBondContact CD-OE1 3.44Å; R96-E111 HydrophobicContact CG-CG 4.33Å; R96-E111 IonicContact CZ-OE1 3.21Å; R96-E111 IonicContact NE-OE1 4Å; R96-E111 PolarHBondContact NE-OE1 2.7Å; R96-E111 IonicContact NH2-OE1 2.66Å; R96-E111 PolarHBondContact NH2-OE1 2.76Å; L97-E111 CarbonylContact O-C 3.43Å; L97-E111 WeakPolarHBondContact O-CA 3.44Å; E98-E111 HydrophobicContact CG-CB 4.34Å; E98-E111 HydrophobicContact CG-CG 4.45Å; E111-L113 HydrophobicContact CG-CD2 4.35Å; E111-L113 HydrophobicContact CG-CG 4.45Å |
| 112 | F | 90.1 | Very high | 90.4 | Very high | 12 Ų | 12 | 84.1 Ų | 84.1 | 5% | 0.053 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124.9 | 177.9 | -58 | -94.2 | 0 | 0 | 0 | 109.3 | R96 L97 I99 L110 L119 R122 | R96-F112 WeakPolarHBondContact CA-O 3.19Å; L97-F112 HydrophobicContact CB-CB 4.35Å; L97-F112 HydrophobicContact CD2-CD2 3.75Å; L97-F112 HydrophobicContact CD2-CE2 4.44Å; L97-F112 HydrophobicContact CD2-CG 4.42Å; L97-F112 PolarHBondContact N-O 3.1Å; L97-F112 PolarHBondContact O-N 3.19Å; I99-F112 HydrophobicContact CB-CE2 4.45Å; I99-F112 HydrophobicContact CD1-CE2 3.55Å; I99-F112 HydrophobicContact CD1-CZ 3.75Å; I99-F112 HydrophobicContact CG1-CE2 3.76Å; I99-F112 HydrophobicContact CG1-CZ 4.43Å; I99-F112 HydrophobicContact CG2-CD2 4.46Å; I99-F112 HydrophobicContact CG2-CE2 4.04Å; L110-F112 HydrophobicContact CB-CE2 3.74Å; L110-F112 HydrophobicContact CB-CZ 3.99Å; L110-F112 HydrophobicContact CD1-CZ 4.32Å; F112-L119 HydrophobicContact CE1-CD2 3.82Å; F112-L119 HydrophobicContact CZ-CD2 3.62Å; F112-R122 HydrophobicContact CE1-CB 4.44Å; F112-R122 HydrophobicContact CE1-CG 4.09Å |
| 113 | L | 88.8 | Confident | 90.3 | Very high | 104 Ų | 104 | 85 Ų | 85 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -114.2 | -6.3 | 173.7 | -57.3 | 175.9 | 0 | 0 | 0 | 111.7 | R96 E111 | R96-L113 HydrophobicContact CB-CD2 3.74Å; R96-L113 HydrophobicContact CG-CD2 3.81Å; E111-L113 HydrophobicContact CG-CD2 4.35Å; E111-L113 HydrophobicContact CG-CG 4.45Å |
| 114 | E | 85.9 | Confident | 90.4 | Very high | 135 Ų | 135 | 81.5 Ų | 81.5 | 63% | 0.631 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -147.4 | 163.8 | -176.4 | -63.8 | 177.8 | 177.3 | 0 | 0 | 108.5 | S116 | E114-S116 PolarHBondContact O-N 2.88Š|
| 115 | D | 85.8 | Confident | 90.2 | Very high | 141 Ų | 141 | 80.3 Ų | 80.3 | 75% | 0.754 | 44% | 0.443 | S | S | * | . | trans | -62.4 | 135.2 | 177.9 | -66.5 | -22.8 | 0 | 0 | 0 | 111.1 | ||||
| 116 | S | 88.1 | Confident | 89.9 | Confident | 28 Ų | 28 | 79.2 Ų | 79.2 | 20% | 0.196 | 44% | 0.438 | C | S | . | . | trans | -123.8 | 104.6 | 177 | -165.9 | 0 | 0 | 0 | 0 | 109.8 | E114 F118 R122 | E114-S116 PolarHBondContact O-N 2.88Å; S116-F118 PolarHBondContact O-N 2.85Å; S116-F118 PolarHBondContact OG-O 2.82Å; S116-R122 WeakPolarHBondContact OG-CG 3.39Å | ||
| 117 | P | 86.7 | Confident | 89.6 | Confident | 111 Ų | 111 | 83.7 Ų | 83.7 | 72% | 0.721 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -66.9 | -23.4 | -176.3 | 25.7 | -34 | 0 | 0 | 0 | 113 | ||
| 118 | F | 87.1 | Confident | 89.4 | Confident | 137 Ų | 137 | 84 Ų | 84 | 60% | 0.601 | 45% | 0.45 | S | S | * | . | trans | -134.1 | 128.8 | 177.1 | -54.7 | -74.5 | 0 | 0 | 0 | 109.2 | S116 Q120 S121 | S116-F118 PolarHBondContact O-N 2.85Å; S116-F118 PolarHBondContact OG-O 2.82Å; F118-Q120 VanDerWaalsContact C-N 3.34Å; F118-S121 PolarHBondContact O-OG 2.82Å | ||
| 119 | L | 89.4 | Confident | 89.4 | Confident | 58 Ų | 58 | 83.2 Ų | 83.2 | 30% | 0.304 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -75.4 | -29.6 | 176.6 | -59.3 | -180 | 0 | 0 | 0 | 111.1 | I99 F112 S121 R122 G123 W124 V129 | I99-L119 HydrophobicContact CD1-CD1 4.23Å; I99-L119 HydrophobicContact CD1-CD2 4.24Å; F112-L119 HydrophobicContact CE1-CD2 3.82Å; F112-L119 HydrophobicContact CZ-CD2 3.62Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 3.24Å; L119-R122 WeakPolarHBondContact O-CB 3.49Å; L119-R122 PolarHBondContact O-N 3.42Å; L119-G123 PolarHBondContact O-N 3.33Å; L119-W124 HydrophobicContact CB-CB 3.59Å; L119-W124 HydrophobicContact CB-CG 4.04Å; L119-W124 HydrophobicContact CD1-CG 4.47Å; L119-W124 VanDerWaalsContact O-CB 3.24Å; L119-W124 WeakPolarHBondContact O-CB 3.44Å; L119-W124 PolarHBondContact O-N 3.48Å; L119-V129 HydrophobicContact CD1-CG2 4.33Å |
| 120 | Q | 89 | Confident | 89.3 | Confident | 119 Ų | 119 | 84.9 Ų | 84.9 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -62.9 | -34.7 | -178.8 | -61.9 | 80.7 | -1.2 | 0 | 0 | 112.4 | F118 R122 G123 W124 | F118-Q120 VanDerWaalsContact C-N 3.34Å; Q120-R122 PolarHBondContact O-N 3.17Å; Q120-G123 PolarHBondContact O-N 3.3Å; Q120-W124 WeakPolarHBondContact CA-O 3.46Å |
| 121 | S | 88.5 | Confident | 89.2 | Confident | 88 Ų | 88 | 84.8 Ų | 84.8 | 62% | 0.615 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -66.2 | -22.9 | 177 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | F118 L119 G123 | F118-S121 PolarHBondContact O-OG 2.82Å; L119-S121 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 3.24Å; S121-G123 VanDerWaalsContact C-N 3.34Å |
| 122 | R | 89.3 | Confident | 89.3 | Confident | 125 Ų | 125 | 85 Ų | 85 | 47% | 0.472 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -92.1 | 7.7 | 174.5 | -60.4 | -68.7 | -168.5 | 149 | -1 | 112.7 | L110 F112 S116 L119 Q120 | L110-R122 HydrophobicContact CD1-CB 4.06Å; L110-R122 WeakPolarHBondContact CD1-O 3.3Å; L110-R122 WeakPolarHBondContact CD2-O 3.48Å; F112-R122 HydrophobicContact CE1-CB 4.44Å; F112-R122 HydrophobicContact CE1-CG 4.09Å; S116-R122 WeakPolarHBondContact OG-CG 3.39Å; L119-R122 WeakPolarHBondContact O-CB 3.49Å; L119-R122 PolarHBondContact O-N 3.42Å; Q120-R122 PolarHBondContact O-N 3.17Å |
| 123 | G | 89.8 | Confident | 89.3 | Confident | 34 Ų | 34 | 87.2 Ų | 87.2 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 11.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q108 L119 Q120 S121 V125 | Q108-G123 PolarHBondContact NE2-O 3.21Å; L119-G123 PolarHBondContact O-N 3.33Å; Q120-G123 PolarHBondContact O-N 3.3Å; S121-G123 VanDerWaalsContact C-N 3.34Å; G123-V125 PolarHBondContact O-N 2.66Å |
| 124 | W | 92.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 86.6 Ų | 86.6 | 1% | 0.011 | 47% | 0.469 | C | S | . | . | trans | -82.9 | 92.7 | 172.1 | -160.3 | -101.8 | 0 | 0 | 0 | 110.8 | I99 E101 Q108 L110 L119 Q120 K126 C128 V129 | I99-W124 HydrophobicContact CD1-CD2 3.71Å; I99-W124 HydrophobicContact CD1-CE3 3.77Å; I99-W124 HydrophobicContact CD1-CG 4.2Å; I99-W124 HydrophobicContact CD1-CH2 4.24Å; I99-W124 HydrophobicContact CD1-CZ2 4.25Å; I99-W124 HydrophobicContact CD1-CZ3 4.03Å; I99-W124 HydrophobicContact CG1-CD2 4.34Å; I99-W124 HydrophobicContact CG1-CE3 3.98Å; I99-W124 HydrophobicContact CG1-CH2 3.88Å; I99-W124 HydrophobicContact CG1-CZ2 4.31Å; I99-W124 HydrophobicContact CG1-CZ3 3.73Å; E101-W124 HydrophobicContact CB-CH2 4.05Å; Q108-W124 HydrophobicContact CB-CZ3 4.37Å; Q108-W124 HydrophobicContact CG-CE3 4.48Å; Q108-W124 HydrophobicContact CG-CZ3 4.14Å; L110-W124 HydrophobicContact CB-CE3 4.47Å; L110-W124 HydrophobicContact CD1-CB 3.72Å; L110-W124 HydrophobicContact CD1-CD2 4.28Å; L110-W124 HydrophobicContact CD1-CE3 3.59Å; L110-W124 HydrophobicContact CD1-CG 4.4Å; L110-W124 HydrophobicContact CG-CE3 3.85Å; L110-W124 HydrophobicContact CG-CZ3 4.32Å; L119-W124 HydrophobicContact CB-CB 3.59Å; L119-W124 HydrophobicContact CB-CG 4.04Å; L119-W124 HydrophobicContact CD1-CG 4.47Å; L119-W124 VanDerWaalsContact O-CB 3.24Å; L119-W124 WeakPolarHBondContact O-CB 3.44Å; L119-W124 PolarHBondContact O-N 3.48Å; Q120-W124 WeakPolarHBondContact CA-O 3.46Å; W124-K126 VanDerWaalsContact C-N 3.28Å; W124-K126 VanDerWaalsContact CD1-O 3.28Å; W124-K126 HydrophobicContact CZ2-CB 4.48Å; W124-K126 PolarHBondContact NE1-O 3.48Å; W124-K126 PolarHBondContact O-N 3.23Å; W124-C128 VanDerWaalsContact CZ2-O 3.29Å; W124-C128 WeakPolarHBondContact CZ2-O 3.33Å; W124-C128 PolarHBondContact NE1-O 3.07Å; W124-C128 VanDerWaalsContact NE1-O 3.08Å; W124-V129 HydrophobicContact CZ2-CB 4.48Å; W124-V129 HydrophobicContact CZ2-CG2 3.82Å | ||
| 125 | V | 89.4 | Confident | 89 | Confident | 112 Ų | 112 | 83.8 Ų | 83.8 | 68% | 0.679 | 45% | 0.453 | S | S | * | . | trans | -87.5 | 2.8 | -179.3 | -62.5 | 0 | 0 | 0 | 0 | 113.3 | G123 | G123-V125 PolarHBondContact O-N 2.66Š| ||
| 126 | K | 86.2 | Confident | 88.1 | Confident | 78 Ų | 78 | 80.2 Ų | 80.2 | 34% | 0.339 | 45% | 0.449 | S | S | . | . | trans | -92.4 | 152.4 | -175 | -51.1 | -68.5 | 174.1 | 149.4 | 0 | 110.8 | E101 W124 C128 | E101-K126 VanDerWaalsContact OE1-CE 3.22Å; E101-K126 WeakPolarHBondContact OE1-CE 3.37Å; E101-K126 IonicContact OE1-NZ 3.78Å; E101-K126 PolarHBondContact OE1-NZ 2.96Å; E101-K126 IonicContact OE2-NZ 2.68Å; W124-K126 VanDerWaalsContact C-N 3.28Å; W124-K126 VanDerWaalsContact CD1-O 3.28Å; W124-K126 HydrophobicContact CZ2-CB 4.48Å; W124-K126 PolarHBondContact NE1-O 3.48Å; W124-K126 PolarHBondContact O-N 3.23Å; K126-C128 VanDerWaalsContact C-N 3.34Å | ||
| 127 | N | 86.8 | Confident | 86.6 | Confident | 170 Ų | 170 | 83.1 Ų | 83.1 | 91% | 0.909 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -88.2 | -2.1 | 177.6 | -65.4 | -25.8 | 0 | 0 | 0 | 113.3 | ||
| 128 | C | 87 | Confident | 85.2 | Confident | 69 Ų | 69 | 78.8 Ų | 78.8 | 47% | 0.466 | 44% | 0.439 | S | S | . | . | trans | -137.4 | 156.5 | -179.1 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | W124 K126 | W124-C128 VanDerWaalsContact CZ2-O 3.29Å; W124-C128 WeakPolarHBondContact CZ2-O 3.33Å; W124-C128 PolarHBondContact NE1-O 3.07Å; W124-C128 VanDerWaalsContact NE1-O 3.08Å; K126-C128 VanDerWaalsContact C-N 3.34Å | ||
| 129 | V | 93 | Very high | 83.6 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 30% | 0.303 | 42% | 0.422 | S | S | . | . | trans | -121.8 | 122.2 | 166 | 171.9 | 0 | 0 | 0 | 0 | 105.9 | I99 L119 W124 I132 | I99-V129 HydrophobicContact CB-CG1 3.74Å; I99-V129 HydrophobicContact CB-CG2 4.23Å; I99-V129 HydrophobicContact CD1-CG2 4Å; I99-V129 HydrophobicContact CG1-CG2 4.49Å; I99-V129 HydrophobicContact CG2-CG1 4.08Å; L119-V129 HydrophobicContact CD1-CG2 4.33Å; W124-V129 HydrophobicContact CZ2-CB 4.48Å; W124-V129 HydrophobicContact CZ2-CG2 3.82Å; V129-I132 HydrophobicContact CG1-CD1 4.04Å; V129-I132 HydrophobicContact CG1-CG1 3.58Å | ||
| 130 | N | 92.7 | Very high | 81.6 | Confident | 88 Ų | 88 | 73.1 Ų | 73.1 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | trans | -96.6 | -26.3 | -174.1 | -76.1 | -29.5 | 0 | 0 | 0 | 112.8 | F100 E101 | F100-N130 PolarHBondContact O-N 3.22Å; F100-N130 VanDerWaalsContact O-N 3.12Å; E101-N130 WeakPolarHBondContact O-CB 3.36Å; E101-N130 PolarHBondContact O-ND2 2.86Å | ||
| 131 | T | 94.1 | Very high | 79.7 | Confident | 29 Ų | 29 | 74 Ų | 74 | 18% | 0.178 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 144.3 | 177.4 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | F100 G102 F105 | F100-T131 PolarHBondContact N-O 3.46Å; F100-T131 PolarHBondContact O-N 3.48Å; G102-T131 PolarHBondContact O-OG1 3.33Å; F105-T131 HydrophobicContact CD1-CG2 3.34Å; F105-T131 HydrophobicContact CE1-CG2 3.24Å; F105-T131 HydrophobicContact CG-CG2 4.38Å; F105-T131 HydrophobicContact CZ-CG2 4.21Å |
| 132 | I | 93.9 | Very high | 77.3 | Confident | 93 Ų | 93 | 72 Ų | 72 | 48% | 0.477 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.1 | 179 | -57 | 178.7 | 0 | 0 | 0 | 108.4 | L97 E98 I99 V129 V134 | L97-I132 HydrophobicContact CD1-CG2 3.89Å; L97-I132 HydrophobicContact CD2-CG2 4.04Å; L97-I132 HydrophobicContact CG-CG2 3.76Å; E98-I132 CarbonylContact O-C 3.53Å; E98-I132 VanDerWaalsContact O-CA 3.27Å; E98-I132 WeakPolarHBondContact O-CA 3.02Å; I99-I132 HydrophobicContact CG2-CG1 4.19Å; V129-I132 HydrophobicContact CG1-CD1 4.04Å; V129-I132 HydrophobicContact CG1-CG1 3.58Å; I132-V134 HydrophobicContact CG2-CG2 4.09Å |
| 133 | K | 90.6 | Very high | 74.8 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 26% | 0.261 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.2 | 164.1 | -65.2 | -178.6 | -174.1 | 176.9 | 0 | 109.1 | L97 E98 F100 F105 Y135 | L97-K133 CarbonylContact C-O 3.51Å; L97-K133 WeakPolarHBondContact CA-O 3.2Å; E98-K133 HydrophobicContact CB-CB 4.31Å; E98-K133 PolarHBondContact N-O 3.12Å; E98-K133 PolarHBondContact O-N 2.96Å; F100-K133 HydrophobicContact CE2-CB 4.33Å; F100-K133 HydrophobicContact CE2-CD 3.83Å; F100-K133 HydrophobicContact CE2-CG 3.82Å; F100-K133 HydrophobicContact CZ-CD 4.1Å; F105-K133 HydrophobicContact CD1-CD 3.83Å; F105-K133 HydrophobicContact CD1-CG 3.55Å; F105-K133 HydrophobicContact CE1-CD 3.86Å; F105-K133 HydrophobicContact CE1-CG 3.25Å; F105-K133 HydrophobicContact CG-CD 4.35Å; F105-K133 HydrophobicContact CZ-CD 4.43Å; F105-K133 HydrophobicContact CZ-CG 4.05Å; K133-Y135 HydrophobicContact CB-CD2 4.19Å; K133-Y135 HydrophobicContact CB-CE2 3.49Å; K133-Y135 VanDerWaalsContact CB-CE2 3.49Å; K133-Y135 HydrophobicContact CD-CE2 4.1Å; K133-Y135 WeakPolarHBondContact CD-OH 3.5Å; K133-Y135 HydrophobicContact CG-CE2 4.49Å |
| 134 | V | 87.3 | Confident | 72.5 | Confident | 91 Ų | 91 | 81.4 Ų | 81.4 | 55% | 0.552 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.7 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 107.1 | L97 I132 | L97-V134 HydrophobicContact CD1-CG2 4.25Å; I132-V134 HydrophobicContact CG2-CG2 4.09Å |
| 135 | Y | 81.3 | Confident | 70.1 | Confident | 76 Ų | 76 | 82.6 Ų | 82.6 | 30% | 0.298 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.2 | 180 | -57.5 | -95.1 | 0 | 0 | 0 | 109.3 | R96 E98 K133 | R96-Y135 HydrophobicContact CG-CD2 3.91Å; R96-Y135 HydrophobicContact CG-CG 4.32Å; R96-Y135 PolarHBondContact N-O 2.66Å; R96-Y135 PolarHBondContact O-N 2.78Å; E98-Y135 HydrophobicContact CB-CE2 4.11Å; E98-Y135 HydrophobicContact CG-CD2 4.47Å; E98-Y135 HydrophobicContact CG-CE2 3.7Å; E98-Y135 VanDerWaalsContact OE2-CE2 3.26Å; E98-Y135 WeakPolarHBondContact OE2-CE2 3.34Å; E98-Y135 PolarHBondContact OE2-OH 2.95Å; K133-Y135 HydrophobicContact CB-CD2 4.19Å; K133-Y135 HydrophobicContact CB-CE2 3.49Å; K133-Y135 VanDerWaalsContact CB-CE2 3.49Å; K133-Y135 HydrophobicContact CD-CE2 4.1Å; K133-Y135 WeakPolarHBondContact CD-OH 3.5Å; K133-Y135 HydrophobicContact CG-CE2 4.49Å |
| 136 | G | 67.3 | Low | 67.7 | Low | 66 Ų | 66 | 83.2 Ų | 83.2 | 68% | 0.68 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 98.6 | -175.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 137 | D | 57.3 | Low | 65.1 | Low | 88 Ų | 88 | 81.9 Ų | 81.9 | 47% | 0.471 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -90.3 | 22.6 | 173.2 | 51.8 | -8.3 | 0 | 0 | 0 | 111.6 | H91 G92 | H91-D137 VanDerWaalsContact C-CG 3.46Å; H91-D137 CarbonylContact C-O 3.53Å; H91-D137 WeakPolarHBondContact CA-O 3.4Å; H91-D137 HydrophobicContact CB-CB 3.66Å; H91-D137 WeakPolarHBondContact CB-O 3.26Å; H91-D137 PolarHBondContact N-O 3.17Å; H91-D137 VanDerWaalsContact O-CG 3.24Å; G92-D137 WeakPolarHBondContact CA-OD1 3.24Å; G92-D137 PolarHBondContact N-O 3.22Å |
| 138 | G | 55.6 | Low | 62.8 | Low | 21 Ų | 21 | 78 Ų | 78 | 22% | 0.216 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -53 | 152.4 | 166 | 0 | 0 | 0 | 0 | 0 | 111.1 | A140 | G138-A140 PolarHBondContact O-N 3.02Š|
| 139 | A | 54.4 | Low | 60.4 | Low | 31 Ų | 31 | 82.8 Ų | 82.8 | 26% | 0.256 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -0.1 | 88.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | V88 G89 W141 | V88-A139 HydrophobicContact CG1-CB 3.6Å; G89-A139 CarbonylContact O-C 3.47Å; G89-A139 VanDerWaalsContact O-CA 3.24Å; G89-A139 WeakPolarHBondContact O-CA 3.47Å; A139-W141 VanDerWaalsContact C-N 3.27Å; A139-W141 PolarHBondContact O-N 3.49Å; A139-W141 PolarHBondContact O-NE1 3.06Å |
| 140 | A | 48.2 | Very low | 57.6 | Low | 45 Ų | 45 | 85.5 Ų | 85.5 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | B | Isolated β-bridge | trans | -59.9 | 94.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | G89 H91 G138 S142 | G89-A140 PolarHBondContact O-N 3.19Å; H91-A140 WeakPolarHBondContact CE1-CB 3.36Å; H91-A140 WeakPolarHBondContact ND1-CB 3.29Å; G138-A140 PolarHBondContact O-N 3.02Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 3.49Å |
| 141 | W | 47.8 | Very low | 54.8 | Low | 136 Ų | 136 | 89.6 Ų | 89.6 | 52% | 0.515 | 50% | 0.495 | S | S | . | . | trans | -66.1 | 99.6 | 162.4 | -60.4 | 94.6 | 0 | 0 | 0 | 105.2 | A139 P143 | A139-W141 VanDerWaalsContact C-N 3.27Å; A139-W141 PolarHBondContact O-N 3.49Å; A139-W141 PolarHBondContact O-NE1 3.06Å; W141-P143 WeakPolarHBondContact O-CD 3.22Å | ||
| 142 | S | 37.8 | Very low | 51.6 | Low | 47 Ų | 47 | 94.7 Ų | 94.7 | 33% | 0.329 | 52% | 0.516 | S | S | . | . | trans | -59.4 | 125.9 | 178.9 | 60.6 | 0 | 0 | 0 | 0 | 108.4 | A140 R144 S145 | A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 3.49Å; S142-R144 PolarHBondContact O-N 3.5Å; S142-S145 PolarHBondContact O-N 3Å | ||
| 143 | P | 38.4 | Very low | 48.7 | Very low | 114 Ų | 114 | 98 Ų | 98 | 74% | 0.74 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -60.5 | -13.6 | 178 | -24.5 | 33.4 | 0 | 0 | 0 | 113.2 | W141 S145 F146 | W141-P143 WeakPolarHBondContact O-CD 3.22Å; P143-S145 PolarHBondContact O-N 3.48Å; P143-F146 PolarHBondContact O-N 3.08Å |
| 144 | R | 41 | Very low | 46 | Very low | 242 Ų | 242 | 100.6 Ų | 100.6 | 91% | 0.913 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -69.9 | -13.2 | 178.9 | -66.6 | -172.2 | 175.5 | -134.3 | -1.9 | 114 | S142 | S142-R144 PolarHBondContact O-N 3.5Š|
| 145 | S | 42.9 | Very low | 43.5 | Very low | 29 Ų | 29 | 99.7 Ų | 99.7 | 20% | 0.203 | 56% | 0.558 | C | S | . | * | G | 310 helix | trans | -94.5 | -7 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 114.4 | R86 S142 P143 | R86-S145 PolarHBondContact NH1-OG 3.28Å; S142-S145 PolarHBondContact O-N 3Å; P143-S145 PolarHBondContact O-N 3.48Å |
| 146 | F | 38.5 | Very low | 41 | Very low | 124 Ų | 124 | 100.8 Ų | 100.8 | 54% | 0.544 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -114.2 | 117.9 | 166.5 | -86.6 | -86.6 | 0 | 0 | 0 | 107.4 | P143 A148 D150 | P143-F146 PolarHBondContact O-N 3.08Å; F146-A148 PolarHBondContact O-N 3.03Å; F146-D150 HydrophobicContact CD1-CB 4.2Å |
| 147 | G | 31.5 | Very low | 39.4 | Very low | 51 Ų | 51 | 105.1 Ų | 105.1 | 53% | 0.526 | 58% | 0.584 | S | S | . | * | trans | -53.6 | 134.6 | 162 | 0 | 0 | 0 | 0 | 0 | 107.7 | E149 D150 | G147-E149 PolarHBondContact O-N 3.05Å; G147-D150 PolarHBondContact O-N 3.34Å | ||
| 148 | A | 38 | Very low | 38.2 | Very low | 89 Ų | 89 | 110.7 Ų | 110.7 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -3.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F146 | F146-A148 PolarHBondContact O-N 3.03Š|
| 149 | E | 35.9 | Very low | 37.1 | Very low | 168 Ų | 168 | 114.2 Ų | 114.2 | 79% | 0.785 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -18.9 | -179.2 | -53.9 | -166.4 | 130.1 | 0 | 0 | 113.5 | G147 | G147-E149 PolarHBondContact O-N 3.05Š|
| 150 | D | 35.5 | Very low | 36.3 | Very low | 108 Ų | 108 | 120 Ų | 120 | 58% | 0.578 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -19.1 | 179.8 | -73.8 | -32.9 | 0 | 0 | 0 | 113.7 | F146 G147 | F146-D150 HydrophobicContact CD1-CB 4.2Å; G147-D150 PolarHBondContact O-N 3.34Å |
| 151 | F | 33 | Very low | 35.4 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 76% | 0.763 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -9.6 | 179.6 | -110.3 | -91.3 | 0 | 0 | 0 | 113.9 | ||
| 152 | Q | 28.2 | Very low | 34.8 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -88.3 | -12.1 | -177.4 | -87.3 | -91.7 | -74.3 | 0 | 0 | 114.2 | S154 | Q152-S154 VanDerWaalsContact C-N 3.28Å; Q152-S154 PolarHBondContact O-N 3.24Å |
| 153 | L | 31.7 | Very low | 34.7 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 3.4 | -175.9 | -83.2 | 167.8 | 0 | 0 | 0 | 115.9 | ||
| 154 | S | 33.6 | Very low | 34.7 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 5.5 | 174.4 | 67.8 | 0 | 0 | 0 | 0 | 115.5 | Q152 | Q152-S154 VanDerWaalsContact C-N 3.28Å; Q152-S154 PolarHBondContact O-N 3.24Å |
| 155 | S | 35.8 | Very low | 34.2 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 51% | 0.51 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -124.5 | 10.4 | -172.5 | 62.6 | 0 | 0 | 0 | 0 | 117.8 | ||
| 156 | S | 29 | Very low | 33.8 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | trans | -156.9 | 112.4 | 170 | -67.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 157 | L | 33.7 | Very low | 33.5 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | -152.6 | 115 | 59.4 | -80.3 | 145.5 | 0 | 0 | 0 | 110.6 | |||||
| 158 | Q | 32.5 | Very low | 33.8 | Very low | 205 Ų | 205 | 135.2 Ų | 135.2 | 96% | 0.958 | 76% | 0.764 | S | S | * | * | trans | -114 | 103 | 141.3 | -106.4 | 161.7 | -28.3 | 0 | 0 | 105.7 | ||||
| 159 | S | 31.8 | Very low | 33.6 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | trans | -121.5 | 91.4 | 158.9 | 59.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 160 | D | 37.3 | Very low | 33.7 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 29.6 | 118.1 | 131 | -151.2 | 15.3 | 0 | 0 | 0 | 118 | ||||
| 161 | Q | 30.6 | Very low | 33.9 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -155.8 | 97.9 | 151.9 | -109.7 | 166 | 11.3 | 0 | 0 | 108.7 | ||||
| 162 | G | 34.5 | Very low | 33.9 | Very low | 52 Ų | 52 | 135.3 Ų | 135.3 | 54% | 0.536 | 78% | 0.781 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 160.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E164 | G162-E164 PolarHBondContact O-N 3.5Š|
| 163 | P | 34.7 | Very low | 34.1 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 118 | -173.9 | 30 | -31.6 | 0 | 0 | 0 | 110.7 | ||
| 164 | E | 38.3 | Very low | 34.2 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 136 | 174.3 | -147.3 | -176.7 | -179.9 | 0 | 0 | 111.3 | G162 | G162-E164 PolarHBondContact O-N 3.5Š|
| 165 | E | 32.2 | Very low | 34.4 | Very low | 177 Ų | 177 | 135.3 Ų | 135.3 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 125.3 | -174.3 | -172.4 | 175.7 | 174.4 | 0 | 0 | 111.9 | T167 | E165-T167 PolarHBondContact O-N 2.68Š|
| 166 | A | 32.5 | Very low | 35.1 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -75.9 | 111.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 167 | T | 33.7 | Very low | 35.1 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -119.6 | 109.2 | 160.9 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | E165 | E165-T167 PolarHBondContact O-N 2.68Š| ||
| 168 | T | 38 | Very low | 34.9 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -62.1 | 141.2 | 175.6 | -47.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 169 | K | 33.3 | Very low | 34.7 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | 179.3 | 160.7 | 131.7 | -97.9 | 178.4 | -172.5 | -174.2 | 0 | 112.7 | ||||
| 170 | P | 37.2 | Very low | 34.5 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | -114 | 167.4 | -126.4 | 39.9 | -30.1 | 0 | 0 | 0 | 115.2 | |||||
| 171 | A | 39.8 | Very low | 34 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -77.3 | 143.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 172 | T | 32.6 | Very low | 34.2 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -158.3 | 103.7 | 153.5 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 173 | T | 32.7 | Very low | 34.2 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | 56.9 | 121.6 | 119.9 | -26.9 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 174 | Q | 33.6 | Very low | 34.1 | Very low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | 103.2 | 147 | 143 | -65.3 | -135.3 | -21.6 | 0 | 0 | 122.2 | ||||
| 175 | P | 38.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | trans | -118.9 | -159.1 | -157.4 | 44.6 | -25.8 | 0 | 0 | 0 | 112.8 | ||||
| 176 | P | 51.4 | Low | 34 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 63% | 0.63 | 81% | 0.808 | S | S | * | * | -88.8 | 168.4 | -121.4 | 35.4 | -17 | 0 | 0 | 0 | 114.4 | |||||
| 177 | F | 28.4 | Very low | 34.1 | Very low | 193 Ų | 193 | 141.4 Ų | 141.4 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | 178 | 136.5 | 137.6 | -86.3 | -59.7 | 0 | 0 | 0 | 112.3 | ||||
| 178 | L | 28.5 | Very low | 34.1 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | 16.3 | 135.6 | 146.8 | -69.9 | 153.1 | 0 | 0 | 0 | 118.6 | ||||
| 179 | T | 29 | Very low | 33.8 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | -174.8 | 167.6 | 67.4 | 4 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 180 | A | 26.8 | Very low | 33.9 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | trans | -84.9 | 167 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 181 | N | 26.9 | Very low | 33.6 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | 89.9 | 131.7 | 148.4 | -67.7 | -24.3 | 0 | 0 | 0 | 121.7 | ||||
| 182 | L | 34.8 | Very low | 33 | Very low | 249 Ų | 249 | 145.4 Ų | 145.4 | 100% | 1.304 | 82% | 0.816 | S | S | * | * | trans | 76.7 | 0 | 166.6 | -64.8 | 167.1 | 0 | 0 | 0 | 117.6 |
Retrieved 182 of 182 residues in 30.7 ms
(Link to these results)