| 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 | 43.1 | Very low | 77.2 | Confident | 234 Ų | 234 | 54.1 Ų | 54.1 | 100% | 1.153 | 30% | 0.297 | S | S | * | . | 0 | 127.3 | 0 | -73 | -169.6 | -137.9 | 0 | 0 | 105 | |||||
| 2 | G | 56.1 | Low | 78.5 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | trans | -62.3 | 144.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N4 E393 | G2-N4 PolarHBondContact O-N 3.07Å; G2-E393 WeakPolarHBondContact CA-OE1 3.42Å | ||
| 3 | V | 59.2 | Low | 79.7 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 21% | 0.212 | 27% | 0.273 | C | S | . | . | trans | -65.9 | 120.8 | 171.4 | 179.2 | 0 | 0 | 0 | 0 | 107.6 | L5 M379 E393 Y484 | V3-L5 HydrophobicContact CG1-CD2 3.96Å; V3-L5 PolarHBondContact O-N 3.14Å; V3-L5 VanDerWaalsContact O-N 3.15Å; V3-M379 HydrophobicContact CG1-SD 4.12Å; V3-E393 HydrophobicContact CB-CG 4.07Å; V3-E393 WeakPolarHBondContact CB-OE1 3.44Å; V3-E393 HydrophobicContact CG2-CG 4.13Å; V3-E393 WeakPolarHBondContact CG2-OE1 3.3Å; V3-E393 PolarHBondContact N-OE1 3.48Å; V3-Y484 HydrophobicContact CG1-CE1 4.44Å; V3-Y484 WeakPolarHBondContact CG1-OH 3.43Å | ||
| 4 | N | 70.2 | Confident | 80.6 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 51% | 0.508 | 27% | 0.271 | S | S | . | . | trans | -76.8 | 101.8 | 173.3 | -179.8 | -3.5 | 0 | 0 | 0 | 108.8 | G2 E6 Y484 | G2-N4 PolarHBondContact O-N 3.07Å; N4-E6 VanDerWaalsContact C-N 3.28Å; N4-E6 PolarHBondContact O-N 2.99Å; N4-E6 PolarHBondContact OD1-N 2.97Å; N4-Y484 WeakPolarHBondContact O-CE2 3.48Å; N4-Y484 PolarHBondContact O-OH 3.14Å | ||
| 5 | L | 78.1 | Confident | 81 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -15.4 | -175.6 | -63.9 | 175.7 | 0 | 0 | 0 | 113.7 | V3 G7 W8 M379 V391 E393 N398 L400 | V3-L5 HydrophobicContact CG1-CD2 3.96Å; V3-L5 PolarHBondContact O-N 3.14Å; V3-L5 VanDerWaalsContact O-N 3.15Å; L5-G7 PolarHBondContact O-N 3.02Å; L5-W8 PolarHBondContact O-NE1 2.93Å; L5-M379 HydrophobicContact CD2-CG 4.14Å; L5-M379 HydrophobicContact CD2-SD 3.41Å; L5-M379 WeakPolarHBondContact CD2-SD 3.46Å; L5-V391 HydrophobicContact CD2-CG1 4.18Å; L5-E393 HydrophobicContact CD1-CB 4.25Å; L5-E393 HydrophobicContact CD2-CB 4.45Å; L5-N398 HydrophobicContact CD1-CB 4.29Å; L5-L400 HydrophobicContact CB-CD1 3.33Å; L5-L400 HydrophobicContact CB-CG 3.54Å; L5-L400 HydrophobicContact CD1-CG 4.16Å; L5-L400 WeakPolarHBondContact O-CD1 3.22Å |
| 6 | E | 77 | Confident | 80.6 | Confident | 102 Ų | 102 | 52.6 Ų | 52.6 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 3.8 | -170.5 | -64 | -173.2 | 172.2 | 0 | 0 | 116 | N4 W8 K416 | N4-E6 VanDerWaalsContact C-N 3.28Å; N4-E6 PolarHBondContact O-N 2.99Å; N4-E6 PolarHBondContact OD1-N 2.97Å; E6-W8 VanDerWaalsContact C-N 3.3Å; E6-W8 PolarHBondContact O-N 3.1Å; E6-K416 WeakPolarHBondContact O-CE 3.4Å |
| 7 | G | 88.8 | Confident | 79.7 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | trans | -84.6 | 25.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116 | L5 Y9 Y484 Y485 | L5-G7 PolarHBondContact O-N 3.02Å; G7-Y9 VanDerWaalsContact O-CD2 3.28Å; G7-Y9 WeakPolarHBondContact O-CD2 3.29Å; G7-Y9 WeakPolarHBondContact O-CE2 3.05Å; G7-Y484 WeakPolarHBondContact O-CA 3.46Å; G7-Y485 PolarHBondContact O-N 3.04Å | ||
| 8 | W | 94.6 | Very high | 79.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 136.1 | -176.1 | -70.2 | 94 | 0 | 0 | 0 | 113.3 | L5 E6 V391 M402 L417 W464 L471 L482 D483 Y484 | L5-W8 PolarHBondContact O-NE1 2.93Å; E6-W8 VanDerWaalsContact C-N 3.3Å; E6-W8 PolarHBondContact O-N 3.1Å; W8-V391 HydrophobicContact CH2-CG2 4.45Å; W8-V391 HydrophobicContact CZ2-CB 4.5Å; W8-V391 HydrophobicContact CZ2-CG1 4.11Å; W8-V391 HydrophobicContact CZ2-CG2 3.74Å; W8-M402 HydrophobicContact CB-CE 4.09Å; W8-M402 HydrophobicContact CB-SD 3.74Å; W8-M402 HydrophobicContact CD2-CE 4.03Å; W8-M402 HydrophobicContact CG-CE 3.55Å; W8-M402 HydrophobicContact CG-SD 3.85Å; W8-L417 HydrophobicContact CB-CB 4.19Å; W8-L417 HydrophobicContact CB-CD1 3.98Å; W8-L417 PolarHBondContact O-N 3.46Å; W8-W464 HydrophobicContact CH2-CH2 4.17Å; W8-W464 AromaticContact CH2-CZ2 3.62Å; W8-W464 HydrophobicContact CH2-CZ2 3.62Å; W8-W464 HydrophobicContact CZ2-CH2 4.28Å; W8-W464 HydrophobicContact CZ2-CZ2 4.03Å; W8-L471 HydrophobicContact CH2-CB 4.22Å; W8-L471 HydrophobicContact CH2-CD2 4.14Å; W8-L471 HydrophobicContact CZ3-CB 3.86Å; W8-L471 HydrophobicContact CZ3-CD2 4.11Å; W8-L482 HydrophobicContact CE3-CB 4.07Å; W8-L482 HydrophobicContact CZ3-CB 4.29Å; W8-D483 CarbonylContact C-O 3.58Å; W8-D483 WeakPolarHBondContact CA-O 3.37Å; W8-Y484 AromaticContact CD1-CD2 3.76Å; W8-Y484 HydrophobicContact CD2-CD2 4.03Å; W8-Y484 HydrophobicContact CD2-CG 4.21Å; W8-Y484 AromaticContact CE2-CD2 3.72Å; W8-Y484 AromaticContact CE2-CG 3.84Å; W8-Y484 HydrophobicContact CG-CD2 4.03Å; W8-Y484 HydrophobicContact CH2-CG 4.48Å; W8-Y484 HydrophobicContact CZ2-CD2 4.3Å; W8-Y484 AromaticContact CZ2-CG 3.99Å; W8-Y484 HydrophobicContact CZ2-CG 3.99Å; W8-Y484 AromaticContact NE1-CD2 3.52Å |
| 9 | Y | 94.9 | Very high | 78.9 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 142.5 | -179.3 | -65.7 | -100.8 | 0 | 0 | 0 | 110.4 | G7 N11 G415 K416 L417 L482 D483 Y485 | G7-Y9 VanDerWaalsContact O-CD2 3.28Å; G7-Y9 WeakPolarHBondContact O-CD2 3.29Å; G7-Y9 WeakPolarHBondContact O-CE2 3.05Å; Y9-N11 PolarHBondContact O-N 3.47Å; Y9-G415 CarbonylContact C-O 3.52Å; Y9-G415 VanDerWaalsContact CA-O 3.29Å; Y9-G415 WeakPolarHBondContact CA-O 3.42Å; Y9-K416 HydrophobicContact CD1-CB 3.83Å; Y9-K416 HydrophobicContact CD1-CG 4.24Å; Y9-K416 HydrophobicContact CE1-CB 3.53Å; Y9-K416 HydrophobicContact CE1-CD 4.27Å; Y9-K416 HydrophobicContact CE1-CG 3.76Å; Y9-K416 HydrophobicContact CE2-CG 4.41Å; Y9-L417 VanDerWaalsContact C-CD1 3.41Å; Y9-L482 CarbonylContact O-C 3.59Å; Y9-L482 VanDerWaalsContact O-CA 3.3Å; Y9-L482 WeakPolarHBondContact O-CA 3.29Å; Y9-D483 PolarHBondContact N-O 3.09Å; Y9-D483 PolarHBondContact O-N 2.87Å; Y9-Y485 AromaticContact CD2-CD2 3.71Å; Y9-Y485 HydrophobicContact CD2-CD2 3.71Å; Y9-Y485 HydrophobicContact CD2-CE2 4.21Å; Y9-Y485 HydrophobicContact CE2-CD2 4.19Å |
| 10 | F | 94.5 | Very high | 79 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 131.7 | 164.3 | -70.6 | -85.2 | 0 | 0 | 0 | 110 | I13 E403 S405 A408 M409 G415 L417 Y480 L482 | F10-I13 HydrophobicContact CD1-CD1 4.26Å; F10-I13 HydrophobicContact CD1-CG1 4.37Å; F10-I13 HydrophobicContact CE1-CD1 4.31Å; F10-E403 WeakPolarHBondContact CZ-O 3.37Å; F10-S405 WeakPolarHBondContact CZ-O 3.49Å; F10-A408 HydrophobicContact CE2-CB 4.28Å; F10-A408 HydrophobicContact CZ-CB 4.1Å; F10-M409 HydrophobicContact CB-CE 3.26Å; F10-M409 HydrophobicContact CB-CG 4.24Å; F10-M409 HydrophobicContact CD1-CB 4.22Å; F10-M409 HydrophobicContact CD1-CE 3.88Å; F10-M409 HydrophobicContact CD2-CB 3.76Å; F10-M409 HydrophobicContact CD2-CG 4.09Å; F10-M409 HydrophobicContact CE1-CB 4.27Å; F10-M409 HydrophobicContact CE2-CB 3.81Å; F10-M409 HydrophobicContact CG-CB 3.98Å; F10-M409 HydrophobicContact CG-CE 3.71Å; F10-M409 HydrophobicContact CG-CG 4.08Å; F10-M409 HydrophobicContact CZ-CB 4.08Å; F10-G415 WeakPolarHBondContact CD2-O 3.13Å; F10-G415 PolarHBondContact N-O 3.38Å; F10-L417 HydrophobicContact CD2-CD1 3.83Å; F10-L417 HydrophobicContact CD2-CG 3.91Å; F10-L417 HydrophobicContact CE2-CD1 4.04Å; F10-L417 HydrophobicContact CE2-CD2 3.97Å; F10-L417 HydrophobicContact CE2-CG 3.61Å; F10-L417 HydrophobicContact CG-CD1 4.2Å; F10-L417 HydrophobicContact CZ-CD2 3.97Å; F10-L417 HydrophobicContact CZ-CG 4.13Å; F10-Y480 HydrophobicContact CE1-CD1 4.37Å; F10-L482 HydrophobicContact CB-CD2 4.39Å; F10-L482 HydrophobicContact CD1-CD2 3.3Å; F10-L482 HydrophobicContact CE1-CD2 3.68Å; F10-L482 HydrophobicContact CG-CD2 3.94Å |
| 11 | N | 92.3 | Very high | 79.6 | Confident | 14 Ų | 14 | 66.9 Ų | 66.9 | 8% | 0.075 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -57 | 171 | 177.3 | -78.3 | 0 | 0 | 0 | 109.6 | Y9 I62 L481 D483 | Y9-N11 PolarHBondContact O-N 3.47Å; N11-I62 PolarHBondContact ND2-O 2.85Å; N11-I62 PolarHBondContact OD1-O 3.33Å; N11-L481 WeakPolarHBondContact CA-O 3.18Å; N11-L481 HydrophobicContact CB-CB 4.33Å; N11-L481 VanDerWaalsContact CB-O 3.32Å; N11-L481 WeakPolarHBondContact CB-O 3.07Å; N11-L481 PolarHBondContact N-O 2.9Å; N11-D483 PolarHBondContact ND2-OD2 3.22Å |
| 12 | Q | 92.9 | Very high | 82 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 16% | 0.159 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 154.6 | -177.7 | -77.3 | 179.7 | -18.8 | 0 | 0 | 111.2 | H64 L481 | Q12-H64 PolarHBondContact OE1-O 2.75Å; Q12-L481 HydrophobicContact CB-CB 4.23Å; Q12-L481 HydrophobicContact CB-CD1 4.13Å; Q12-L481 PolarHBondContact N-O 3.03Å; Q12-L481 PolarHBondContact O-N 3.27Å |
| 13 | I | 94 | Very high | 83.9 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.9 | 165.7 | -53.9 | 178.2 | 0 | 0 | 0 | 107.2 | F10 R406 M409 L479 Y480 | F10-I13 HydrophobicContact CD1-CD1 4.26Å; F10-I13 HydrophobicContact CD1-CG1 4.37Å; F10-I13 HydrophobicContact CE1-CD1 4.31Å; I13-R406 HydrophobicContact CD1-CB 4.47Å; I13-R406 HydrophobicContact CD1-CG 3.86Å; I13-R406 HydrophobicContact CG2-CG 4.19Å; I13-M409 HydrophobicContact CD1-CB 3.97Å; I13-M409 HydrophobicContact CD1-CE 3.62Å; I13-M409 HydrophobicContact CD1-CG 4.36Å; I13-M409 HydrophobicContact CD1-SD 3.54Å; I13-M409 VanDerWaalsContact CD1-SD 3.54Å; I13-M409 HydrophobicContact CG1-CE 3.52Å; I13-M409 HydrophobicContact CG1-SD 4.03Å; I13-L479 CarbonylContact C-O 3.55Å; I13-L479 WeakPolarHBondContact CA-O 3.48Å; I13-Y480 HydrophobicContact CB-CD1 4.4Å; I13-Y480 HydrophobicContact CD1-CD1 3.86Å; I13-Y480 HydrophobicContact CD1-CE1 4.05Å; I13-Y480 HydrophobicContact CG1-CD1 3.81Å; I13-Y480 HydrophobicContact CG1-CE1 4.36Å; I13-Y480 HydrophobicContact CG2-CD1 3.8Å; I13-Y480 HydrophobicContact CG2-CE1 3.79Å |
| 14 | K | 93.1 | Very high | 85.6 | Confident | 55 Ų | 55 | 62.3 Ų | 62.3 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 158.6 | 175.9 | -53.3 | -67.3 | -171 | 171.3 | 0 | 109.9 | F50 H64 S478 L479 | K14-F50 HydrophobicContact CB-CE1 4.44Å; K14-F50 HydrophobicContact CG-CE1 4.16Å; K14-H64 WeakPolarHBondContact CE-O 3.37Å; K14-H64 PolarHBondContact NZ-O 3.32Å; K14-S478 CarbonylContact O-C 3.47Å; K14-S478 VanDerWaalsContact O-CA 3.3Å; K14-S478 WeakPolarHBondContact O-CA 3.42Å; K14-L479 HydrophobicContact CB-CB 4.28Å; K14-L479 PolarHBondContact N-O 3.43Å; K14-L479 PolarHBondContact O-N 2.96Å |
| 15 | G | 86.8 | Confident | 86.8 | Confident | 45 Ų | 45 | 60.1 Ų | 60.1 | 46% | 0.464 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 93.8 | 179.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R406 | G15-R406 PolarHBondContact O-NH2 2.88Š|
| 16 | T | 73.5 | Confident | 87.8 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 55% | 0.546 | 33% | 0.329 | S | S | . | . | trans | -113.1 | 154.6 | 179.2 | 57.8 | 0 | 0 | 0 | 0 | 111 | S477 | T16-S477 PolarHBondContact O-OG 3.47Š| ||
| 17 | C | 66.1 | Low | 88.8 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 53% | 0.534 | 31% | 0.307 | S | S | . | . | trans | -104 | -19.6 | 174.8 | -166.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 18 | E | 70.6 | Confident | 89.3 | Confident | 167 Ų | 167 | 55.9 Ų | 55.9 | 78% | 0.78 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -92 | 139.6 | -176.2 | -60.9 | -174 | 169.1 | 0 | 0 | 110.5 | V20 | E18-V20 VanDerWaalsContact C-N 3.34Å; E18-V20 PolarHBondContact O-N 2.81Å |
| 19 | D | 73.6 | Confident | 89.5 | Confident | 165 Ų | 165 | 56 Ų | 56 | 88% | 0.882 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 45.9 | 51.9 | 176.1 | -62.6 | -26.9 | 0 | 0 | 0 | 114.3 | N21 | D19-N21 PolarHBondContact O-N 2.86Š|
| 20 | V | 81.5 | Confident | 89.6 | Confident | 55 Ų | 55 | 55.7 Ų | 55.7 | 33% | 0.333 | 31% | 0.308 | S | S | . | . | trans | -59.3 | 112.4 | 177.6 | -180 | 0 | 0 | 0 | 0 | 110 | E18 I25 T476 S477 | E18-V20 VanDerWaalsContact C-N 3.34Å; E18-V20 PolarHBondContact O-N 2.81Å; V20-I25 HydrophobicContact CG1-CG1 4.09Å; V20-T476 HydrophobicContact CB-CG2 4.39Å; V20-T476 HydrophobicContact CG1-CG2 3.58Å; V20-T476 HydrophobicContact CG2-CG2 4.24Å; V20-S477 WeakPolarHBondContact CG2-OG 3.44Å | ||
| 21 | N | 91.4 | Very high | 89.8 | Confident | 97 Ų | 97 | 56 Ų | 56 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | trans | -76.8 | 144.8 | 167.7 | -164.6 | -0.6 | 0 | 0 | 0 | 109.8 | D19 A23 D24 | D19-N21 PolarHBondContact O-N 2.86Å; N21-A23 PolarHBondContact O-N 3.28Å; N21-D24 WeakPolarHBondContact CB-OD2 3.39Å; N21-D24 PolarHBondContact O-N 3.48Å | ||
| 22 | E | 92.7 | Very high | 90 | Very high | 145 Ų | 145 | 55.8 Ų | 55.8 | 68% | 0.678 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -57.4 | -37.7 | -179.6 | -173.2 | 170.2 | -167.3 | 0 | 0 | 111.7 | D24 I25 H43 | E22-D24 PolarHBondContact O-N 3.2Å; E22-I25 HydrophobicContact CG-CD1 4.38Å; E22-I25 WeakPolarHBondContact O-CB 3.43Å; E22-I25 WeakPolarHBondContact O-CG1 3.35Å; E22-I25 PolarHBondContact O-N 3.29Å; E22-H43 WeakPolarHBondContact O-CB 3.42Å |
| 23 | A | 95.7 | Very high | 90 | Very high | 32 Ų | 32 | 59.7 Ų | 59.7 | 26% | 0.264 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -62.6 | -23.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N21 G44 R46 | N21-A23 PolarHBondContact O-N 3.28Å; A23-G44 PolarHBondContact O-N 2.97Å; A23-R46 PolarHBondContact O-NH2 2.79Å |
| 24 | D | 95.4 | Very high | 89.9 | Confident | 52 Ų | 52 | 61.5 Ų | 61.5 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -89.3 | -2.8 | -179.2 | -59.2 | -42.9 | 0 | 0 | 0 | 113 | N21 E22 I26 R46 S477 | N21-D24 WeakPolarHBondContact CB-OD2 3.39Å; N21-D24 PolarHBondContact O-N 3.48Å; E22-D24 PolarHBondContact O-N 3.2Å; D24-I26 PolarHBondContact O-N 2.97Å; D24-R46 IonicContact OD1-CZ 3.44Å; D24-R46 IonicContact OD1-NH1 3.56Å; D24-R46 PolarHBondContact OD1-NH1 2.84Å; D24-R46 IonicContact OD1-NH2 3.28Å; D24-R46 PolarHBondContact OD1-NH2 3.24Å; D24-S477 WeakPolarHBondContact O-CA 3.33Å; D24-S477 WeakPolarHBondContact O-CB 3.31Å |
| 25 | I | 96.4 | Very high | 89.9 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -68.7 | 124.6 | 177 | -62.1 | 174.9 | 0 | 0 | 0 | 109.1 | V20 E22 S27 D42 H43 T476 | V20-I25 HydrophobicContact CG1-CG1 4.09Å; E22-I25 HydrophobicContact CG-CD1 4.38Å; E22-I25 WeakPolarHBondContact O-CB 3.43Å; E22-I25 WeakPolarHBondContact O-CG1 3.35Å; E22-I25 PolarHBondContact O-N 3.29Å; I25-S27 PolarHBondContact O-N 2.79Å; I25-D42 CarbonylContact O-C 3.51Å; I25-D42 VanDerWaalsContact O-CA 3.24Å; I25-D42 WeakPolarHBondContact O-CA 3.31Å; I25-D42 VanDerWaalsContact O-CB 3.32Å; I25-D42 WeakPolarHBondContact O-CB 3.4Å; I25-H43 WeakPolarHBondContact CB-ND1 3.47Å; I25-H43 VanDerWaalsContact CG2-CE1 3.46Å; I25-H43 WeakPolarHBondContact CG2-CE1 3.35Å; I25-H43 PolarHBondContact O-N 3.39Å; I25-H43 PolarHBondContact O-ND1 3.46Å; I25-T476 HydrophobicContact CG1-CG2 4.12Å |
| 26 | I | 98 | Very high | 90.3 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 9% | 0.087 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 126.8 | 176.7 | -59.6 | 170.8 | 0 | 0 | 0 | 109 | D24 C28 T40 G41 H461 A474 T476 L479 | D24-I26 PolarHBondContact O-N 2.97Å; I26-C28 WeakPolarHBondContact CG2-O 3.14Å; I26-T40 HydrophobicContact CG2-CG2 4.37Å; I26-G41 CarbonylContact C-O 3.45Å; I26-G41 WeakPolarHBondContact CA-O 3.47Å; I26-G41 WeakPolarHBondContact CG2-O 3.36Å; I26-H461 PolarHBondContact O-CD2 2.88Å; I26-A474 HydrophobicContact CB-CB 3.99Å; I26-A474 HydrophobicContact CD1-CB 4.25Å; I26-A474 HydrophobicContact CG2-CB 3.57Å; I26-T476 PolarHBondContact N-O 2.97Å; I26-L479 HydrophobicContact CD1-CB 4.12Å |
| 27 | S | 98.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -12.1 | -175.7 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | I25 G41 D42 I89 H461 | I25-S27 PolarHBondContact O-N 2.79Å; S27-G41 PolarHBondContact N-O 2.91Å; S27-G41 PolarHBondContact OG-O 3.04Å; S27-D42 WeakPolarHBondContact OG-CA 3.1Å; S27-D42 PolarHBondContact OG-O 2.98Å; S27-I89 VanDerWaalsContact CB-O 3.25Å; S27-I89 WeakPolarHBondContact CB-O 3.43Å; S27-I89 PolarHBondContact OG-O 3.29Å; S27-H461 PolarHBondContact O-CE1 3.32Å; S27-H461 PolarHBondContact O-ND1 2.88Å; S27-H461 PolarHBondContact O-NE2 2.8Å; S27-H461 VanDerWaalsContact O-NE2 3.14Å |
| 28 | C | 98.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 156.9 | 168.4 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | I26 T40 G41 | I26-C28 WeakPolarHBondContact CG2-O 3.14Å; C28-T40 VanDerWaalsContact O-CA 3.32Å; C28-T40 WeakPolarHBondContact O-CA 3.24Å; C28-G41 PolarHBondContact N-O 2.87Å; C28-G41 PolarHBondContact O-N 3.09Å |
| 29 | V | 98.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 135.5 | 175.7 | 60.1 | 0 | 0 | 0 | 0 | 109.7 | L38 A39 T40 H461 L462 A472 A474 L479 | V29-L38 HydrophobicContact CG2-CD1 3.5Å; V29-L38 HydrophobicContact CG2-CD2 4.39Å; V29-L38 HydrophobicContact CG2-CG 4.11Å; V29-A39 CarbonylContact C-O 3.51Å; V29-A39 VanDerWaalsContact CA-O 3.32Å; V29-A39 WeakPolarHBondContact CA-O 3.46Å; V29-T40 HydrophobicContact CB-CG2 4.19Å; V29-T40 HydrophobicContact CG2-CG2 3.9Å; V29-H461 HydrophobicContact CG1-CB 3.96Å; V29-L462 VanDerWaalsContact CG1-C 3.48Å; V29-A472 HydrophobicContact CG2-CB 4.1Å; V29-A474 HydrophobicContact CG1-CB 4.47Å; V29-L479 HydrophobicContact CG2-CD1 4.07Å |
| 30 | E | 98.6 | Very high | 95.4 | Very high | 34 Ų | 34 | 37.4 Ų | 37.4 | 16% | 0.159 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 117.8 | -175.6 | -175.2 | 92 | 170.3 | 0 | 0 | 110.8 | A39 I92 R93 W94 | E30-A39 PolarHBondContact N-O 3.04Å; E30-A39 PolarHBondContact O-N 2.96Å; E30-I92 HydrophobicContact CB-CB 4.38Å; E30-I92 HydrophobicContact CB-CG2 4.39Å; E30-I92 WeakPolarHBondContact CG-O 3.44Å; E30-R93 WeakPolarHBondContact OE1-CD 3.37Å; E30-R93 IonicContact OE1-CZ 3.44Å; E30-R93 IonicContact OE1-NE 3.99Å; E30-R93 IonicContact OE1-NH1 3.4Å; E30-R93 PolarHBondContact OE1-NH1 3.09Å; E30-R93 IonicContact OE2-CZ 3.39Å; E30-R93 IonicContact OE2-NH1 3.72Å; E30-R93 PolarHBondContact OE2-NH1 3.2Å; E30-W94 PolarHBondContact O-NE1 3.27Å |
| 31 | Y | 98.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 5% | 0.047 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 144.3 | 164.7 | -88 | -72.1 | 0 | 0 | 0 | 110.7 | F37 L38 H64 S463 H465 A472 | Y31-F37 WeakPolarHBondContact CA-O 3.42Å; Y31-F37 WeakPolarHBondContact CD1-O 3.36Å; Y31-L38 HydrophobicContact CD1-CB 3.93Å; Y31-L38 HydrophobicContact CD1-CD1 3.91Å; Y31-L38 HydrophobicContact CD1-CG 4.48Å; Y31-L38 HydrophobicContact CD2-CD1 3.66Å; Y31-L38 HydrophobicContact CE1-CB 3.76Å; Y31-L38 HydrophobicContact CE1-CD1 4.04Å; Y31-L38 HydrophobicContact CE1-CD2 4.36Å; Y31-L38 HydrophobicContact CE1-CG 4.28Å; Y31-L38 HydrophobicContact CE2-CD1 3.79Å; Y31-L38 HydrophobicContact CE2-CD2 4.39Å; Y31-L38 HydrophobicContact CG-CD1 3.71Å; Y31-H64 AromaticContact CE1-NE2 3.65Å; Y31-H64 AromaticContact CZ-NE2 3.72Å; Y31-H64 PolarHBondContact OH-NE2 3.02Å; Y31-S463 WeakPolarHBondContact CE2-O 3.48Å; Y31-S463 PolarHBondContact N-OG 2.78Å; Y31-H465 HydrophobicContact CD2-CB 4.34Å; Y31-H465 HydrophobicContact CE2-CB 4.25Å; Y31-A472 HydrophobicContact CE2-CB 3.79Å |
| 32 | D | 96.4 | Very high | 96.6 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | trans | -72.1 | 167.3 | 166.8 | 93.8 | -66 | 0 | 0 | 0 | 110.9 | T34 G35 D36 F37 W94 | D32-T34 PolarHBondContact O-N 2.66Å; D32-T34 PolarHBondContact OD1-OG1 3.26Å; D32-T34 VanDerWaalsContact OD2-CB 3.31Å; D32-T34 WeakPolarHBondContact OD2-CB 3.03Å; D32-T34 WeakPolarHBondContact OD2-CG2 3.38Å; D32-T34 PolarHBondContact OD2-N 3.21Å; D32-T34 PolarHBondContact OD2-OG1 2.93Å; D32-G35 PolarHBondContact O-N 2.71Å; D32-G35 WeakPolarHBondContact OD1-CA 3.41Å; D32-G35 PolarHBondContact OD1-N 2.94Å; D32-D36 PolarHBondContact OD1-N 3.12Å; D32-F37 HydrophobicContact CB-CB 4.23Å; D32-F37 PolarHBondContact N-O 3.46Å; D32-F37 PolarHBondContact OD1-N 3.47Å; D32-W94 VanDerWaalsContact CA-CD1 3.41Å; D32-W94 HydrophobicContact CB-CB 4Å; D32-W94 HydrophobicContact CB-CD2 3.66Å; D32-W94 HydrophobicContact CB-CE3 4.23Å; D32-W94 HydrophobicContact CB-CG 3.55Å | ||
| 33 | K | 92.7 | Very high | 96.9 | Very high | 117 Ų | 117 | 25.9 Ų | 25.9 | 51% | 0.509 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -64.5 | -27.4 | -177.2 | -68.2 | -169.6 | 177.7 | -173.9 | 0 | 113.2 | P96 S466 | K33-P96 HydrophobicContact CD-CG 4.47Å; K33-S466 WeakPolarHBondContact O-CB 3.41Å; K33-S466 PolarHBondContact O-OG 2.82Å |
| 34 | T | 92.6 | Very high | 97 | Very high | 61 Ų | 61 | 25 Ų | 25 | 37% | 0.374 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -77.2 | -29.2 | 175.8 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | D32 D36 | D32-T34 PolarHBondContact O-N 2.66Å; D32-T34 PolarHBondContact OD1-OG1 3.26Å; D32-T34 VanDerWaalsContact OD2-CB 3.31Å; D32-T34 WeakPolarHBondContact OD2-CB 3.03Å; D32-T34 WeakPolarHBondContact OD2-CG2 3.38Å; D32-T34 PolarHBondContact OD2-N 3.21Å; D32-T34 PolarHBondContact OD2-OG1 2.93Å; T34-D36 WeakPolarHBondContact OG1-CB 3.5Å; T34-D36 PolarHBondContact OG1-N 2.87Å; T34-D36 PolarHBondContact OG1-OD2 2.82Å |
| 35 | G | 93.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 80.4 | 4.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D32 F37 R52 H465 | D32-G35 PolarHBondContact O-N 2.71Å; D32-G35 WeakPolarHBondContact OD1-CA 3.41Å; D32-G35 PolarHBondContact OD1-N 2.94Å; G35-F37 VanDerWaalsContact C-N 3.27Å; G35-R52 WeakPolarHBondContact O-CD 2.99Å; G35-H465 VanDerWaalsContact CA-CD2 3.47Å; G35-H465 WeakPolarHBondContact CA-CD2 3.39Å; G35-H465 WeakPolarHBondContact CA-NE2 3.5Å; G35-H465 PolarHBondContact O-CD2 2.96Å; G35-H465 VanDerWaalsContact O-CD2 3.26Å; G35-H465 PolarHBondContact O-NE2 3.16Å; G35-H465 VanDerWaalsContact O-NE2 3.12Å |
| 36 | D | 93.7 | Very high | 97.2 | Very high | 73 Ų | 73 | 24 Ų | 24 | 39% | 0.39 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -74.4 | -20.6 | 174.2 | -66.1 | -26.8 | 0 | 0 | 0 | 111.8 | D32 T34 R52 | D32-D36 PolarHBondContact OD1-N 3.12Å; T34-D36 WeakPolarHBondContact OG1-CB 3.5Å; T34-D36 PolarHBondContact OG1-N 2.87Å; T34-D36 PolarHBondContact OG1-OD2 2.82Å; D36-R52 WeakPolarHBondContact O-CB 3.36Å; D36-R52 PolarHBondContact O-N 3.39Å |
| 37 | F | 96.5 | Very high | 97.3 | Very high | 12 Ų | 12 | 23.1 Ų | 23.1 | 5% | 0.053 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141.2 | -179.4 | -61.4 | -87.9 | 0 | 0 | 0 | 112 | Y31 D32 G35 V49 F50 K51 Y67 W94 Q102 | Y31-F37 WeakPolarHBondContact CA-O 3.42Å; Y31-F37 WeakPolarHBondContact CD1-O 3.36Å; D32-F37 HydrophobicContact CB-CB 4.23Å; D32-F37 PolarHBondContact N-O 3.46Å; D32-F37 PolarHBondContact OD1-N 3.47Å; G35-F37 VanDerWaalsContact C-N 3.27Å; F37-V49 HydrophobicContact CB-CG1 4.4Å; F37-V49 HydrophobicContact CD1-CG1 3.95Å; F37-F50 VanDerWaalsContact CA-O 3.3Å; F37-F50 WeakPolarHBondContact CA-O 3.46Å; F37-K51 HydrophobicContact CD1-CB 4.08Å; F37-K51 HydrophobicContact CD1-CG 4.32Å; F37-K51 HydrophobicContact CE1-CB 3.86Å; F37-K51 HydrophobicContact CE1-CD 4.08Å; F37-K51 HydrophobicContact CE1-CG 3.78Å; F37-K51 HydrophobicContact CZ-CD 4.36Å; F37-K51 HydrophobicContact CZ-CG 4.2Å; F37-Y67 HydrophobicContact CD1-CD1 4.1Å; F37-Y67 HydrophobicContact CD1-CE1 4.41Å; F37-Y67 HydrophobicContact CD1-CG 4.49Å; F37-Y67 AromaticContact CE1-CD1 3.71Å; F37-Y67 HydrophobicContact CE1-CD1 3.71Å; F37-Y67 HydrophobicContact CE1-CD2 4.36Å; F37-Y67 AromaticContact CE1-CE1 3.68Å; F37-Y67 HydrophobicContact CE1-CE1 3.68Å; F37-Y67 HydrophobicContact CE1-CE2 4.37Å; F37-Y67 HydrophobicContact CE1-CG 4.05Å; F37-Y67 HydrophobicContact CZ-CE1 4.45Å; F37-W94 HydrophobicContact CB-CH2 3.94Å; F37-W94 HydrophobicContact CB-CZ2 3.93Å; F37-Q102 HydrophobicContact CE2-CG 4.28Å; F37-Q102 HydrophobicContact CZ-CG 4.33Å |
| 38 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.9 | 172.7 | 179.5 | 63.9 | 0 | 0 | 0 | 108.1 | V29 Y31 V49 F50 A472 L479 L481 | V29-L38 HydrophobicContact CG2-CD1 3.5Å; V29-L38 HydrophobicContact CG2-CD2 4.39Å; V29-L38 HydrophobicContact CG2-CG 4.11Å; Y31-L38 HydrophobicContact CD1-CB 3.93Å; Y31-L38 HydrophobicContact CD1-CD1 3.91Å; Y31-L38 HydrophobicContact CD1-CG 4.48Å; Y31-L38 HydrophobicContact CD2-CD1 3.66Å; Y31-L38 HydrophobicContact CE1-CB 3.76Å; Y31-L38 HydrophobicContact CE1-CD1 4.04Å; Y31-L38 HydrophobicContact CE1-CD2 4.36Å; Y31-L38 HydrophobicContact CE1-CG 4.28Å; Y31-L38 HydrophobicContact CE2-CD1 3.79Å; Y31-L38 HydrophobicContact CE2-CD2 4.39Å; Y31-L38 HydrophobicContact CG-CD1 3.71Å; L38-V49 CarbonylContact O-C 3.6Å; L38-V49 WeakPolarHBondContact O-CA 3.19Å; L38-F50 HydrophobicContact CB-CB 4.35Å; L38-F50 PolarHBondContact N-O 3.36Å; L38-F50 PolarHBondContact O-N 2.88Å; L38-A472 HydrophobicContact CD1-CB 4.14Å; L38-A472 HydrophobicContact CD2-CB 3.81Å; L38-L479 HydrophobicContact CD2-CD2 3.78Å; L38-L481 HydrophobicContact CD2-CD2 3.71Å |
| 39 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 142.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V29 E30 I47 V48 V49 I92 W94 | V29-A39 CarbonylContact C-O 3.51Å; V29-A39 VanDerWaalsContact CA-O 3.32Å; V29-A39 WeakPolarHBondContact CA-O 3.46Å; E30-A39 PolarHBondContact N-O 3.04Å; E30-A39 PolarHBondContact O-N 2.96Å; A39-I47 HydrophobicContact CB-CG2 4.33Å; A39-V48 CarbonylContact C-O 3.57Å; A39-V48 WeakPolarHBondContact CA-O 3.16Å; A39-V49 HydrophobicContact CB-CG2 4.32Å; A39-I92 HydrophobicContact CB-CD1 4.03Å; A39-I92 HydrophobicContact CB-CG2 4.01Å; A39-W94 HydrophobicContact CB-CH2 4.45Å; A39-W94 HydrophobicContact CB-CZ2 3.52Å |
| 40 | T | 98.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 24.7 Ų | 24.7 | 6% | 0.055 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 137.9 | 167.7 | 57.4 | 0 | 0 | 0 | 0 | 109.5 | I26 C28 V29 I47 V48 F50 L479 | I26-T40 HydrophobicContact CG2-CG2 4.37Å; C28-T40 VanDerWaalsContact O-CA 3.32Å; C28-T40 WeakPolarHBondContact O-CA 3.24Å; V29-T40 HydrophobicContact CB-CG2 4.19Å; V29-T40 HydrophobicContact CG2-CG2 3.9Å; T40-I47 WeakPolarHBondContact O-CA 3.3Å; T40-V48 PolarHBondContact N-O 3.07Å; T40-V48 PolarHBondContact O-N 2.81Å; T40-F50 HydrophobicContact CG2-CE2 4.04Å; T40-L479 HydrophobicContact CG2-CD1 4.09Å; T40-L479 HydrophobicContact CG2-CD2 3.95Å |
| 41 | G | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 152.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | I26 S27 C28 R46 | I26-G41 CarbonylContact C-O 3.45Å; I26-G41 WeakPolarHBondContact CA-O 3.47Å; I26-G41 WeakPolarHBondContact CG2-O 3.36Å; S27-G41 PolarHBondContact N-O 2.91Å; S27-G41 PolarHBondContact OG-O 3.04Å; C28-G41 PolarHBondContact N-O 2.87Å; C28-G41 PolarHBondContact O-N 3.09Å; G41-R46 WeakPolarHBondContact CA-O 3.4Å |
| 42 | D | 98.3 | Very high | 96.8 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 6% | 0.059 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 176.3 | 178 | 62.4 | 31.5 | 0 | 0 | 0 | 113.7 | I25 S27 G44 G45 R46 I89 | I25-D42 CarbonylContact O-C 3.51Å; I25-D42 VanDerWaalsContact O-CA 3.24Å; I25-D42 WeakPolarHBondContact O-CA 3.31Å; I25-D42 VanDerWaalsContact O-CB 3.32Å; I25-D42 WeakPolarHBondContact O-CB 3.4Å; S27-D42 WeakPolarHBondContact OG-CA 3.1Å; S27-D42 PolarHBondContact OG-O 2.98Å; D42-G44 VanDerWaalsContact C-N 3.25Å; D42-G44 PolarHBondContact O-N 3.12Å; D42-G44 VanDerWaalsContact OD1-C 3.3Å; D42-G44 WeakPolarHBondContact OD1-CA 3.5Å; D42-G44 PolarHBondContact OD1-N 2.6Å; D42-G44 VanDerWaalsContact OD1-N 3.11Å; D42-G45 PolarHBondContact O-N 2.84Å; D42-G45 PolarHBondContact OD1-N 2.74Å; D42-G45 VanDerWaalsContact OD1-N 3.11Å; D42-R46 PolarHBondContact N-O 2.83Å; D42-R46 PolarHBondContact OD1-N 2.94Å; D42-R46 IonicContact OD1-NE 2.74Å; D42-R46 WeakPolarHBondContact OD2-CB 3.3Å; D42-R46 IonicContact OD2-CZ 3.35Å; D42-R46 IonicContact OD2-NE 2.72Å; D42-R46 PolarHBondContact OD2-NE 3.02Å; D42-R46 IonicContact OD2-NH2 3.91Å; D42-R46 PolarHBondContact OD2-NH2 2.69Å; D42-I89 PolarHBondContact O-N 3.33Å |
| 43 | H | 98.2 | Very high | 96.3 | Very high | 43 Ų | 43 | 30 Ų | 30 | 20% | 0.199 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.7 | 178.5 | -72.3 | 67 | 0 | 0 | 0 | 112.7 | E22 I25 G45 K88 | E22-H43 WeakPolarHBondContact O-CB 3.42Å; I25-H43 WeakPolarHBondContact CB-ND1 3.47Å; I25-H43 VanDerWaalsContact CG2-CE1 3.46Å; I25-H43 WeakPolarHBondContact CG2-CE1 3.35Å; I25-H43 PolarHBondContact O-N 3.39Å; I25-H43 PolarHBondContact O-ND1 3.46Å; H43-G45 PolarHBondContact O-N 2.72Å; H43-K88 VanDerWaalsContact NE2-CE 3.33Å; H43-K88 WeakPolarHBondContact NE2-CE 3.3Å; H43-K88 PolarHBondContact NE2-NZ 3.37Å; H43-K88 WeakPolarHBondContact O-CA 3.46Å; H43-K88 PolarHBondContact O-N 3.46Å |
| 44 | G | 98.2 | Very high | 95.6 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 16% | 0.155 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 13 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A23 D42 R46 E87 | A23-G44 PolarHBondContact O-N 2.97Å; D42-G44 VanDerWaalsContact C-N 3.25Å; D42-G44 PolarHBondContact O-N 3.12Å; D42-G44 VanDerWaalsContact OD1-C 3.3Å; D42-G44 WeakPolarHBondContact OD1-CA 3.5Å; D42-G44 PolarHBondContact OD1-N 2.6Å; D42-G44 VanDerWaalsContact OD1-N 3.11Å; G44-R46 VanDerWaalsContact C-N 3.27Å; G44-R46 PolarHBondContact O-N 3.32Å; G44-E87 VanDerWaalsContact C-CG 3.46Å |
| 45 | G | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 72.8 | 13.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | D42 H43 S72 H73 E87 | D42-G45 PolarHBondContact O-N 2.84Å; D42-G45 PolarHBondContact OD1-N 2.74Å; D42-G45 VanDerWaalsContact OD1-N 3.11Å; H43-G45 PolarHBondContact O-N 2.72Å; G45-S72 WeakPolarHBondContact O-CA 3.42Å; G45-S72 PolarHBondContact O-N 2.74Å; G45-H73 PolarHBondContact O-N 3.49Å; G45-H73 VanDerWaalsContact O-N 3.07Å; G45-E87 WeakPolarHBondContact CA-O 3.4Å |
| 46 | R | 98.6 | Very high | 92.3 | Very high | 78 Ų | 78 | 37.7 Ų | 37.7 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 152.2 | 179.1 | -52.8 | 167.4 | -58.9 | -166.3 | 2.9 | 110.4 | A23 D24 G41 D42 G44 F70 V71 | A23-R46 PolarHBondContact O-NH2 2.79Å; D24-R46 IonicContact OD1-CZ 3.44Å; D24-R46 IonicContact OD1-NH1 3.56Å; D24-R46 PolarHBondContact OD1-NH1 2.84Å; D24-R46 IonicContact OD1-NH2 3.28Å; D24-R46 PolarHBondContact OD1-NH2 3.24Å; G41-R46 WeakPolarHBondContact CA-O 3.4Å; D42-R46 PolarHBondContact N-O 2.83Å; D42-R46 PolarHBondContact OD1-N 2.94Å; D42-R46 IonicContact OD1-NE 2.74Å; D42-R46 WeakPolarHBondContact OD2-CB 3.3Å; D42-R46 IonicContact OD2-CZ 3.35Å; D42-R46 IonicContact OD2-NE 2.72Å; D42-R46 PolarHBondContact OD2-NE 3.02Å; D42-R46 IonicContact OD2-NH2 3.91Å; D42-R46 PolarHBondContact OD2-NH2 2.69Å; G44-R46 VanDerWaalsContact C-N 3.27Å; G44-R46 PolarHBondContact O-N 3.32Å; R46-F70 WeakPolarHBondContact CA-O 3.4Å; R46-V71 HydrophobicContact CG-CG2 4.19Å |
| 47 | I | 98.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.5 | 170.9 | -63.1 | 180 | 0 | 0 | 0 | 108.2 | A39 T40 V49 T69 F70 I89 I92 L104 | A39-I47 HydrophobicContact CB-CG2 4.33Å; T40-I47 WeakPolarHBondContact O-CA 3.3Å; I47-V49 HydrophobicContact CG2-CG2 4.07Å; I47-T69 WeakPolarHBondContact O-CA 3.46Å; I47-F70 HydrophobicContact CB-CE1 4.12Å; I47-F70 HydrophobicContact CB-CE2 4Å; I47-F70 HydrophobicContact CB-CZ 3.77Å; I47-F70 HydrophobicContact CD1-CE2 4.06Å; I47-F70 HydrophobicContact CD1-CZ 4.12Å; I47-F70 HydrophobicContact CG1-CE2 4.42Å; I47-F70 HydrophobicContact CG1-CZ 4.48Å; I47-F70 HydrophobicContact CG2-CE1 4.01Å; I47-F70 HydrophobicContact CG2-CZ 3.81Å; I47-F70 PolarHBondContact N-O 2.87Å; I47-F70 PolarHBondContact O-N 3.13Å; I47-I89 HydrophobicContact CG1-CG1 4.32Å; I47-I92 HydrophobicContact CD1-CD1 4Å; I47-I92 HydrophobicContact CD1-CG1 4.19Å; I47-I92 HydrophobicContact CG1-CD1 4.01Å; I47-I92 HydrophobicContact CG2-CD1 4.07Å; I47-L104 HydrophobicContact CD1-CD1 3.97Å |
| 48 | V | 98.4 | Very high | 88.1 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125 | 169.4 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | A39 T40 F50 V66 T69 | A39-V48 CarbonylContact C-O 3.57Å; A39-V48 WeakPolarHBondContact CA-O 3.16Å; T40-V48 PolarHBondContact N-O 3.07Å; T40-V48 PolarHBondContact O-N 2.81Å; V48-F50 HydrophobicContact CB-CE2 4.11Å; V48-F50 HydrophobicContact CB-CZ 4.3Å; V48-F50 HydrophobicContact CG1-CD2 4.33Å; V48-F50 HydrophobicContact CG1-CE1 4.09Å; V48-F50 HydrophobicContact CG1-CE2 3.69Å; V48-F50 HydrophobicContact CG1-CZ 3.56Å; V48-V66 HydrophobicContact CG1-CG1 4.12Å; V48-V66 HydrophobicContact CG1-CG2 4.36Å; V48-T69 HydrophobicContact CG2-CG2 3.95Å |
| 49 | V | 98.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.6 | 173.5 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | F37 L38 A39 I47 Y67 C68 F70 W94 L104 I117 | F37-V49 HydrophobicContact CB-CG1 4.4Å; F37-V49 HydrophobicContact CD1-CG1 3.95Å; L38-V49 CarbonylContact O-C 3.6Å; L38-V49 WeakPolarHBondContact O-CA 3.19Å; A39-V49 HydrophobicContact CB-CG2 4.32Å; I47-V49 HydrophobicContact CG2-CG2 4.07Å; V49-Y67 HydrophobicContact CG1-CD1 3.99Å; V49-Y67 WeakPolarHBondContact O-CA 3.39Å; V49-Y67 VanDerWaalsContact O-CB 3.3Å; V49-Y67 WeakPolarHBondContact O-CB 3.29Å; V49-Y67 PolarHBondContact O-N 3.23Å; V49-C68 PolarHBondContact N-O 2.82Å; V49-C68 PolarHBondContact O-N 3.01Å; V49-F70 HydrophobicContact CG2-CE1 4.23Å; V49-W94 HydrophobicContact CG1-CH2 3.76Å; V49-W94 HydrophobicContact CG1-CZ2 4.18Å; V49-W94 HydrophobicContact CG2-CH2 4.12Å; V49-L104 HydrophobicContact CG2-CD2 4.39Å; V49-I117 HydrophobicContact CG2-CD1 3.96Å |
| 50 | F | 97.5 | Very high | 83.7 | Confident | 13 Ų | 13 | 63 Ų | 63 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 138.6 | 171.2 | -53.8 | -94.5 | 0 | 0 | 0 | 109.1 | K14 F37 L38 T40 V48 H64 N65 V66 L479 | K14-F50 HydrophobicContact CB-CE1 4.44Å; K14-F50 HydrophobicContact CG-CE1 4.16Å; F37-F50 VanDerWaalsContact CA-O 3.3Å; F37-F50 WeakPolarHBondContact CA-O 3.46Å; L38-F50 HydrophobicContact CB-CB 4.35Å; L38-F50 PolarHBondContact N-O 3.36Å; L38-F50 PolarHBondContact O-N 2.88Å; T40-F50 HydrophobicContact CG2-CE2 4.04Å; V48-F50 HydrophobicContact CB-CE2 4.11Å; V48-F50 HydrophobicContact CB-CZ 4.3Å; V48-F50 HydrophobicContact CG1-CD2 4.33Å; V48-F50 HydrophobicContact CG1-CE1 4.09Å; V48-F50 HydrophobicContact CG1-CE2 3.69Å; V48-F50 HydrophobicContact CG1-CZ 3.56Å; F50-H64 HydrophobicContact CB-CB 4.14Å; F50-N65 CarbonylContact C-O 3.51Å; F50-N65 WeakPolarHBondContact CA-O 3.12Å; F50-V66 HydrophobicContact CD1-CG2 3.98Å; F50-V66 HydrophobicContact CE1-CG2 3.69Å; F50-L479 HydrophobicContact CD2-CD2 4.17Å; F50-L479 HydrophobicContact CE2-CD2 3.75Å; F50-L479 HydrophobicContact CZ-CD2 4.06Å |
| 51 | K | 95.1 | Very high | 82.1 | Confident | 59 Ų | 59 | 64 Ų | 64 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.9 | 171.4 | -179.7 | -178.3 | 175.3 | -162.6 | 0 | 108.7 | F37 E53 N65 Y67 | F37-K51 HydrophobicContact CD1-CB 4.08Å; F37-K51 HydrophobicContact CD1-CG 4.32Å; F37-K51 HydrophobicContact CE1-CB 3.86Å; F37-K51 HydrophobicContact CE1-CD 4.08Å; F37-K51 HydrophobicContact CE1-CG 3.78Å; F37-K51 HydrophobicContact CZ-CD 4.36Å; F37-K51 HydrophobicContact CZ-CG 4.2Å; K51-E53 HydrophobicContact CG-CG 4.34Å; K51-E53 IonicContact NZ-OE1 3.18Å; K51-N65 PolarHBondContact N-O 3.42Å; K51-N65 PolarHBondContact O-N 3.39Å; K51-Y67 HydrophobicContact CB-CD2 3.96Å; K51-Y67 HydrophobicContact CB-CG 4.02Å; K51-Y67 HydrophobicContact CD-CD2 3.79Å; K51-Y67 HydrophobicContact CD-CE2 3.97Å |
| 52 | R | 92.1 | Very high | 81.2 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.9 | 176.3 | -168.8 | -179.9 | 162.6 | -146.5 | -8.5 | 109.2 | G35 D36 I62 S63 H465 E468 | G35-R52 WeakPolarHBondContact O-CD 2.99Å; D36-R52 WeakPolarHBondContact O-CB 3.36Å; D36-R52 PolarHBondContact O-N 3.39Å; R52-I62 HydrophobicContact CG-CG2 3.45Å; R52-I62 VanDerWaalsContact CG-CG2 3.45Å; R52-S63 CarbonylContact C-O 3.6Å; R52-S63 WeakPolarHBondContact CA-O 3.42Å; R52-H465 PolarHBondContact NH1-CE1 3.37Å; R52-H465 PolarHBondContact NH1-NE2 3.11Å; R52-E468 IonicContact CZ-OE1 3.74Å; R52-E468 VanDerWaalsContact CZ-OE1 3.28Å; R52-E468 IonicContact CZ-OE2 2.6Å; R52-E468 VanDerWaalsContact NH1-CD 3.26Å; R52-E468 IonicContact NH1-OE1 2.99Å; R52-E468 PolarHBondContact NH1-OE1 3.17Å; R52-E468 IonicContact NH1-OE2 3.77Å; R52-E468 IonicContact NH2-OE1 3.92Å; R52-E468 PolarHBondContact NH2-OE1 3.27Å; R52-E468 IonicContact NH2-OE2 3.45Å; R52-E468 PolarHBondContact NH2-OE2 3.13Å |
| 53 | E | 87.2 | Confident | 80.8 | Confident | 79 Ų | 79 | 64.2 Ų | 64.2 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.3 | 179.5 | -65.1 | -175.3 | 153.2 | 0 | 0 | 109.7 | K51 S63 N65 | K51-E53 HydrophobicContact CG-CG 4.34Å; K51-E53 IonicContact NZ-OE1 3.18Å; E53-S63 PolarHBondContact N-O 3.31Å; E53-S63 PolarHBondContact O-N 3.08Å; E53-N65 PolarHBondContact OE2-ND2 3.16Å |
| 54 | N | 76.5 | Confident | 80.6 | Confident | 122 Ų | 122 | 62.1 Ų | 62.1 | 65% | 0.652 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 112.4 | 170.7 | -71.4 | -42.3 | 0 | 0 | 0 | 107.2 | I62 | N54-I62 WeakPolarHBondContact OD1-CG1 3.45Å |
| 55 | E | 64 | Low | 80.4 | Confident | 73 Ų | 73 | 64 Ų | 64 | 34% | 0.341 | 31% | 0.307 | S | S | . | . | trans | -64.5 | 160.5 | 168.9 | -70 | -174.6 | -175.8 | 0 | 0 | 110.4 | C61 S63 H503 | E55-C61 PolarHBondContact N-O 2.83Å; E55-C61 VanDerWaalsContact N-O 3.16Å; E55-S63 PolarHBondContact OE1-OG 3.03Å; E55-H503 IonicContact OE2-CE1 3.81Å; E55-H503 IonicContact OE2-ND1 3.14Å | ||
| 56 | D | 52.8 | Low | 80.2 | Confident | 143 Ų | 143 | 68.3 Ų | 68.3 | 77% | 0.765 | 33% | 0.333 | S | S | * | . | trans | -40.6 | 146.4 | -167.2 | -85 | -43.7 | 0 | 0 | 0 | 115.4 | L58 Q59 | D56-L58 PolarHBondContact O-N 3.02Å; D56-Q59 PolarHBondContact O-N 3.21Å | ||
| 57 | K | 53.1 | Low | 80 | Confident | 221 Ų | 221 | 66.3 Ų | 66.3 | 96% | 0.961 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | -14 | -170.4 | -65.1 | -179.6 | 179.7 | 176.4 | 0 | 117.2 | ||
| 58 | L | 50.8 | Low | 79.9 | Confident | 160 Ų | 160 | 66.9 Ų | 66.9 | 84% | 0.838 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -36.7 | 179.4 | -140.4 | 77.8 | 0 | 0 | 0 | 112.5 | D56 | D56-L58 PolarHBondContact O-N 3.02Š|
| 59 | Q | 48.3 | Very low | 79.8 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -118.5 | 102.7 | -177.4 | -153.2 | 75.4 | 33.3 | 0 | 0 | 106.9 | D56 C61 Q499 | D56-Q59 PolarHBondContact O-N 3.21Å; Q59-C61 HydrophobicContact CG-CB 4.4Å; Q59-C61 PolarHBondContact O-N 2.83Å; Q59-Q499 VanDerWaalsContact NE2-OE1 3.17Å; Q59-Q499 VanDerWaalsContact OE1-OE1 3.05Å |
| 60 | K | 54.8 | Low | 79.8 | Confident | 189 Ų | 189 | 70.1 Ų | 70.1 | 82% | 0.822 | 35% | 0.348 | S | S | * | . | trans | -73.1 | 54.1 | 178.6 | -156.9 | -179 | -175.8 | -171.7 | 0 | 110.5 | ||||
| 61 | C | 65.2 | Low | 79.8 | Confident | 29 Ų | 29 | 72.9 Ų | 72.9 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | trans | -91.7 | 120 | 174.3 | -148.7 | 0 | 0 | 0 | 0 | 107.1 | E55 Q59 | E55-C61 PolarHBondContact N-O 2.83Å; E55-C61 VanDerWaalsContact N-O 3.16Å; Q59-C61 HydrophobicContact CG-CB 4.4Å; Q59-C61 PolarHBondContact O-N 2.83Å | ||
| 62 | I | 80.9 | Confident | 80 | Confident | 15 Ų | 15 | 70.2 Ų | 70.2 | 8% | 0.077 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125.5 | 174.6 | -71 | 147.1 | 0 | 0 | 0 | 106.1 | N11 R52 N54 | N11-I62 PolarHBondContact ND2-O 2.85Å; N11-I62 PolarHBondContact OD1-O 3.33Å; R52-I62 HydrophobicContact CG-CG2 3.45Å; R52-I62 VanDerWaalsContact CG-CG2 3.45Å; N54-I62 WeakPolarHBondContact OD1-CG1 3.45Å |
| 63 | S | 89.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.8 | 175.4 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | R52 E53 E55 | R52-S63 CarbonylContact C-O 3.6Å; R52-S63 WeakPolarHBondContact CA-O 3.42Å; E53-S63 PolarHBondContact N-O 3.31Å; E53-S63 PolarHBondContact O-N 3.08Å; E55-S63 PolarHBondContact OE1-OG 3.03Å |
| 64 | H | 93.7 | Very high | 80.8 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 107.7 | 172.6 | -65.5 | 71.9 | 0 | 0 | 0 | 107.9 | Q12 K14 Y31 F50 L481 | Q12-H64 PolarHBondContact OE1-O 2.75Å; K14-H64 WeakPolarHBondContact CE-O 3.37Å; K14-H64 PolarHBondContact NZ-O 3.32Å; Y31-H64 AromaticContact CE1-NE2 3.65Å; Y31-H64 AromaticContact CZ-NE2 3.72Å; Y31-H64 PolarHBondContact OH-NE2 3.02Å; F50-H64 HydrophobicContact CB-CB 4.14Å; H64-L481 HydrophobicContact CB-CD1 3.52Å; H64-L481 VanDerWaalsContact CG-CD1 3.42Å; H64-L481 WeakPolarHBondContact ND1-CD1 3.31Å |
| 65 | N | 94.3 | Very high | 81.8 | Confident | 53 Ų | 53 | 69.2 Ų | 69.2 | 28% | 0.283 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 144.6 | -177.4 | -65.7 | -32.6 | 0 | 0 | 0 | 109.7 | F50 K51 E53 Y67 | F50-N65 CarbonylContact C-O 3.51Å; F50-N65 WeakPolarHBondContact CA-O 3.12Å; K51-N65 PolarHBondContact N-O 3.42Å; K51-N65 PolarHBondContact O-N 3.39Å; E53-N65 PolarHBondContact OE2-ND2 3.16Å; N65-Y67 PolarHBondContact O-N 2.85Å; N65-Y67 VanDerWaalsContact O-N 3.09Å |
| 66 | V | 94.3 | Very high | 83.3 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 118.9 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | V48 F50 | V48-V66 HydrophobicContact CG1-CG1 4.12Å; V48-V66 HydrophobicContact CG1-CG2 4.36Å; F50-V66 HydrophobicContact CD1-CG2 3.98Å; F50-V66 HydrophobicContact CE1-CG2 3.69Å |
| 67 | Y | 94.4 | Very high | 85.3 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -49.4 | 177.9 | -173.7 | -125.8 | 0 | 0 | 0 | 110.9 | F37 V49 K51 N65 I117 E119 M187 | F37-Y67 HydrophobicContact CD1-CD1 4.1Å; F37-Y67 HydrophobicContact CD1-CE1 4.41Å; F37-Y67 HydrophobicContact CD1-CG 4.49Å; F37-Y67 AromaticContact CE1-CD1 3.71Å; F37-Y67 HydrophobicContact CE1-CD1 3.71Å; F37-Y67 HydrophobicContact CE1-CD2 4.36Å; F37-Y67 AromaticContact CE1-CE1 3.68Å; F37-Y67 HydrophobicContact CE1-CE1 3.68Å; F37-Y67 HydrophobicContact CE1-CE2 4.37Å; F37-Y67 HydrophobicContact CE1-CG 4.05Å; F37-Y67 HydrophobicContact CZ-CE1 4.45Å; V49-Y67 HydrophobicContact CG1-CD1 3.99Å; V49-Y67 WeakPolarHBondContact O-CA 3.39Å; V49-Y67 VanDerWaalsContact O-CB 3.3Å; V49-Y67 WeakPolarHBondContact O-CB 3.29Å; V49-Y67 PolarHBondContact O-N 3.23Å; K51-Y67 HydrophobicContact CB-CD2 3.96Å; K51-Y67 HydrophobicContact CB-CG 4.02Å; K51-Y67 HydrophobicContact CD-CD2 3.79Å; K51-Y67 HydrophobicContact CD-CE2 3.97Å; N65-Y67 PolarHBondContact O-N 2.85Å; N65-Y67 VanDerWaalsContact O-N 3.09Å; Y67-I117 HydrophobicContact CD1-CG2 4.37Å; Y67-I117 HydrophobicContact CE1-CG2 3.84Å; Y67-E119 PolarHBondContact OH-OE2 3.27Å; Y67-E119 VanDerWaalsContact OH-OE2 3.07Å; Y67-M187 HydrophobicContact CD1-CE 3.93Å; Y67-M187 HydrophobicContact CD2-SD 4.25Å; Y67-M187 HydrophobicContact CE1-CE 3.22Å; Y67-M187 HydrophobicContact CE1-SD 4Å; Y67-M187 HydrophobicContact CE2-CE 3.95Å; Y67-M187 HydrophobicContact CE2-SD 3.54Å; Y67-M187 VanDerWaalsContact CE2-SD 3.54Å; Y67-M187 WeakPolarHBondContact OH-CE 3.39Å; Y67-M187 PolarHBondContact OH-SD 3.16Å |
| 68 | C | 96.1 | Very high | 87 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 8% | 0.081 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 155.2 | 172.6 | 62.2 | 0 | 0 | 0 | 0 | 111 | V49 M187 T189 | V49-C68 PolarHBondContact N-O 2.82Å; V49-C68 PolarHBondContact O-N 3.01Å; C68-M187 HydrophobicContact CB-CB 4.28Å; C68-M187 HydrophobicContact CB-CG 4.38Å; C68-T189 HydrophobicContact CB-CG2 4.31Å |
| 69 | T | 97.1 | Very high | 89 | Confident | 82 Ų | 82 | 60.4 Ų | 60.4 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 133.9 | 169.8 | -58.7 | 0 | 0 | 0 | 0 | 108.5 | I47 V48 | I47-T69 WeakPolarHBondContact O-CA 3.46Å; V48-T69 HydrophobicContact CG2-CG2 3.95Å |
| 70 | F | 98.2 | Very high | 90.9 | Very high | 15 Ų | 15 | 65.9 Ų | 65.9 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 152.9 | 176.3 | 59.6 | -85.3 | 0 | 0 | 0 | 111 | R46 I47 V49 W115 I117 T189 | R46-F70 WeakPolarHBondContact CA-O 3.4Å; I47-F70 HydrophobicContact CB-CE1 4.12Å; I47-F70 HydrophobicContact CB-CE2 4Å; I47-F70 HydrophobicContact CB-CZ 3.77Å; I47-F70 HydrophobicContact CD1-CE2 4.06Å; I47-F70 HydrophobicContact CD1-CZ 4.12Å; I47-F70 HydrophobicContact CG1-CE2 4.42Å; I47-F70 HydrophobicContact CG1-CZ 4.48Å; I47-F70 HydrophobicContact CG2-CE1 4.01Å; I47-F70 HydrophobicContact CG2-CZ 3.81Å; I47-F70 PolarHBondContact N-O 2.87Å; I47-F70 PolarHBondContact O-N 3.13Å; V49-F70 HydrophobicContact CG2-CE1 4.23Å; F70-W115 HydrophobicContact CD2-CD2 4.07Å; F70-W115 AromaticContact CD2-CE3 3.77Å; F70-W115 HydrophobicContact CD2-CE3 3.77Å; F70-W115 HydrophobicContact CD2-CH2 4.11Å; F70-W115 HydrophobicContact CD2-CZ2 4.41Å; F70-W115 AromaticContact CD2-CZ3 3.75Å; F70-W115 HydrophobicContact CD2-CZ3 3.75Å; F70-W115 HydrophobicContact CE2-CB 4.48Å; F70-W115 AromaticContact CE2-CD2 3.44Å; F70-W115 HydrophobicContact CE2-CD2 3.44Å; F70-W115 VanDerWaalsContact CE2-CD2 3.44Å; F70-W115 AromaticContact CE2-CE2 3.8Å; F70-W115 AromaticContact CE2-CE3 3.57Å; F70-W115 HydrophobicContact CE2-CE3 3.57Å; F70-W115 AromaticContact CE2-CG 3.81Å; F70-W115 HydrophobicContact CE2-CG 3.81Å; F70-W115 HydrophobicContact CE2-CH2 4.39Å; F70-W115 HydrophobicContact CE2-CZ2 4.32Å; F70-W115 HydrophobicContact CE2-CZ3 4.02Å; F70-W115 HydrophobicContact CZ-CB 4.46Å; F70-W115 HydrophobicContact CZ-CD2 4.24Å; F70-W115 HydrophobicContact CZ-CE3 4.4Å; F70-W115 HydrophobicContact CZ-CG 4.21Å; F70-I117 HydrophobicContact CE1-CD1 3.88Å; F70-I117 HydrophobicContact CE1-CG1 4.36Å; F70-I117 HydrophobicContact CZ-CD1 4.2Å; F70-T189 WeakPolarHBondContact CB-OG1 2.99Å; F70-T189 HydrophobicContact CD1-CG2 3.73Å; F70-T189 HydrophobicContact CE1-CG2 4.17Å; F70-T189 HydrophobicContact CG-CG2 4.28Å |
| 71 | V | 98.5 | Very high | 92.4 | Very high | 72 Ų | 72 | 62.3 Ų | 62.3 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 119.8 | 172.4 | -178.7 | 0 | 0 | 0 | 0 | 108 | R46 H73 E74 W115 | R46-V71 HydrophobicContact CG-CG2 4.19Å; V71-H73 VanDerWaalsContact CG1-O 3.22Å; V71-H73 WeakPolarHBondContact CG1-O 3.25Å; V71-E74 HydrophobicContact CG1-CG 3.81Å; V71-W115 WeakPolarHBondContact O-CH2 3.44Å |
| 72 | S | 98.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | trans | -90.6 | -48 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | G45 S106 K113 W115 | G45-S72 WeakPolarHBondContact O-CA 3.42Å; G45-S72 PolarHBondContact O-N 2.74Å; S72-S106 PolarHBondContact OG-OG 2.79Å; S72-K113 VanDerWaalsContact O-CD 3.26Å; S72-K113 WeakPolarHBondContact O-CD 3.36Å; S72-K113 WeakPolarHBondContact O-CE 3.25Å; S72-K113 PolarHBondContact O-NZ 2.94Å; S72-W115 VanDerWaalsContact CA-CZ2 3.42Å; S72-W115 WeakPolarHBondContact O-CZ2 3.25Å; S72-W115 PolarHBondContact OG-NE1 2.84Å | ||
| 73 | H | 98.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | trans | -124.7 | 150.3 | 179.4 | -67.9 | -92.2 | 0 | 0 | 0 | 109.3 | G45 V71 E87 I89 S106 N108 T111 | G45-H73 PolarHBondContact O-N 3.49Å; G45-H73 VanDerWaalsContact O-N 3.07Å; V71-H73 VanDerWaalsContact CG1-O 3.22Å; V71-H73 WeakPolarHBondContact CG1-O 3.25Å; H73-E87 HydrophobicContact CB-CB 4.19Å; H73-E87 VanDerWaalsContact CB-O 3.31Å; H73-E87 WeakPolarHBondContact CB-O 3.47Å; H73-E87 WeakPolarHBondContact O-CB 3.36Å; H73-I89 HydrophobicContact CB-CD1 4.3Å; H73-I89 VanDerWaalsContact CD2-CD1 3.47Å; H73-I89 WeakPolarHBondContact CD2-CD1 3.3Å; H73-S106 PolarHBondContact NE2-OG 2.87Å; H73-N108 HydrophobicContact CB-CB 4.42Å; H73-T111 PolarHBondContact CE1-O 2.91Å | ||
| 74 | E | 97.9 | Very high | 94.5 | Very high | 133 Ų | 133 | 74.6 Ų | 74.6 | 62% | 0.621 | 38% | 0.381 | S | S | * | . | trans | -124.2 | 156.5 | 174.3 | -67.6 | -178.2 | 148 | 0 | 0 | 106.8 | V71 E76 | V71-E74 HydrophobicContact CG1-CG 3.81Å; E74-E76 PolarHBondContact O-N 2.71Å | ||
| 75 | P | 97.4 | Very high | 94.5 | Very high | 77 Ų | 77 | 75.2 Ų | 75.2 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | trans | -59.9 | 130.9 | 178.1 | 0.9 | -2.7 | 0 | 0 | 0 | 110.3 | E87 | P75-E87 VanDerWaalsContact CB-OE2 3.26Å; P75-E87 WeakPolarHBondContact CB-OE2 3.43Å; P75-E87 VanDerWaalsContact CD-CD 3.47Å; P75-E87 WeakPolarHBondContact CD-OE2 3.45Å; P75-E87 WeakPolarHBondContact CG-OE1 3.43Å; P75-E87 VanDerWaalsContact CG-OE2 3.28Å; P75-E87 WeakPolarHBondContact CG-OE2 3.45Å | ||
| 76 | E | 95.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 77.7 Ų | 77.7 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 160.2 | -178.7 | -73.3 | 173.4 | -154.9 | 0 | 0 | 110.1 | E74 I85 | E74-E76 PolarHBondContact O-N 2.71Å; E76-I85 HydrophobicContact CB-CB 4.04Å; E76-I85 HydrophobicContact CB-CD1 4.36Å; E76-I85 PolarHBondContact N-O 2.7Å; E76-I85 PolarHBondContact O-N 3.23Å |
| 77 | F | 94.3 | Very high | 94.8 | Very high | 100 Ų | 100 | 75.8 Ų | 75.8 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 122.3 | 176 | -171.8 | -95.8 | 0 | 0 | 0 | 110.9 | Y79 E84 | F77-Y79 AromaticContact CD1-CD1 3.6Å; F77-Y79 HydrophobicContact CD1-CD1 3.6Å; F77-Y79 HydrophobicContact CD1-CD2 4.3Å; F77-Y79 AromaticContact CD1-CE1 3.73Å; F77-Y79 HydrophobicContact CD1-CE1 3.73Å; F77-Y79 HydrophobicContact CD1-CE2 4.42Å; F77-Y79 AromaticContact CD1-CG 3.89Å; F77-Y79 HydrophobicContact CD1-CG 3.89Å; F77-Y79 AromaticContact CE1-CD1 3.81Å; F77-Y79 HydrophobicContact CE1-CD1 3.81Å; F77-Y79 HydrophobicContact CE1-CE1 4.24Å; F77-Y79 HydrophobicContact CE1-CG 4.26Å; F77-Y79 WeakPolarHBondContact O-CD2 3.26Å; F77-Y79 PolarHBondContact O-N 3.29Å; F77-E84 HydrophobicContact CD2-CB 4.38Å |
| 78 | D | 89 | Confident | 95 | Very high | 41 Ų | 41 | 76.9 Ų | 76.9 | 22% | 0.219 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 99.5 | 171.7 | -175.1 | -26.4 | 0 | 0 | 0 | 109.4 | L80 K81 S82 L83 I85 | D78-L80 PolarHBondContact O-N 3.3Å; D78-L80 WeakPolarHBondContact OD1-CA 3.36Å; D78-L80 WeakPolarHBondContact OD1-CB 3.42Å; D78-L80 PolarHBondContact OD1-N 3.09Å; D78-K81 HydrophobicContact CB-CB 4.42Å; D78-K81 PolarHBondContact O-N 2.97Å; D78-K81 PolarHBondContact OD1-N 3.28Å; D78-K81 WeakPolarHBondContact OD2-CD 3.18Å; D78-S82 WeakPolarHBondContact O-CA 3.46Å; D78-S82 PolarHBondContact O-N 2.87Å; D78-L83 PolarHBondContact N-O 3.33Å; D78-L83 PolarHBondContact O-N 3.25Å; D78-L83 VanDerWaalsContact O-N 3.1Å; D78-I85 HydrophobicContact CB-CD1 4.32Å |
| 79 | Y | 92.1 | Very high | 95.1 | Very high | 195 Ų | 195 | 76.3 Ų | 76.3 | 77% | 0.765 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -22.7 | 178.9 | -61 | -85.2 | 0 | 0 | 0 | 114.4 | F77 | F77-Y79 AromaticContact CD1-CD1 3.6Å; F77-Y79 HydrophobicContact CD1-CD1 3.6Å; F77-Y79 HydrophobicContact CD1-CD2 4.3Å; F77-Y79 AromaticContact CD1-CE1 3.73Å; F77-Y79 HydrophobicContact CD1-CE1 3.73Å; F77-Y79 HydrophobicContact CD1-CE2 4.42Å; F77-Y79 AromaticContact CD1-CG 3.89Å; F77-Y79 HydrophobicContact CD1-CG 3.89Å; F77-Y79 AromaticContact CE1-CD1 3.81Å; F77-Y79 HydrophobicContact CE1-CD1 3.81Å; F77-Y79 HydrophobicContact CE1-CE1 4.24Å; F77-Y79 HydrophobicContact CE1-CG 4.26Å; F77-Y79 WeakPolarHBondContact O-CD2 3.26Å; F77-Y79 PolarHBondContact O-N 3.29Å |
| 80 | L | 89 | Confident | 95.2 | Very high | 161 Ų | 161 | 73.6 Ų | 73.6 | 84% | 0.843 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -39.1 | -178.1 | -177.8 | 64 | 0 | 0 | 0 | 110.8 | D78 | D78-L80 PolarHBondContact O-N 3.3Å; D78-L80 WeakPolarHBondContact OD1-CA 3.36Å; D78-L80 WeakPolarHBondContact OD1-CB 3.42Å; D78-L80 PolarHBondContact OD1-N 3.09Å |
| 81 | K | 86.7 | Confident | 95.2 | Very high | 114 Ų | 114 | 75 Ų | 75 | 50% | 0.496 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -8.5 | 176.8 | -62.5 | -178.6 | -173.7 | 166.5 | 0 | 113.3 | D78 L83 | D78-K81 HydrophobicContact CB-CB 4.42Å; D78-K81 PolarHBondContact O-N 2.97Å; D78-K81 PolarHBondContact OD1-N 3.28Å; D78-K81 WeakPolarHBondContact OD2-CD 3.18Å; K81-L83 VanDerWaalsContact C-N 3.29Å; K81-L83 HydrophobicContact CB-CB 4.15Å; K81-L83 PolarHBondContact O-N 3.35Å |
| 82 | S | 92.5 | Very high | 95.2 | Very high | 92 Ų | 92 | 71.7 Ų | 71.7 | 64% | 0.643 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 47.9 | -171.1 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | D78 | D78-S82 WeakPolarHBondContact O-CA 3.46Å; D78-S82 PolarHBondContact O-N 2.87Å |
| 83 | L | 91.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 73.6 Ų | 73.6 | 37% | 0.372 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.2 | -173.9 | -176.7 | 136.1 | 0 | 0 | 0 | 110.2 | D78 K81 I85 | D78-L83 PolarHBondContact N-O 3.33Å; D78-L83 PolarHBondContact O-N 3.25Å; D78-L83 VanDerWaalsContact O-N 3.1Å; K81-L83 VanDerWaalsContact C-N 3.29Å; K81-L83 HydrophobicContact CB-CB 4.15Å; K81-L83 PolarHBondContact O-N 3.35Å; L83-I85 HydrophobicContact CD2-CG1 3.94Å |
| 84 | E | 94.2 | Very high | 95.2 | Very high | 142 Ų | 142 | 74 Ų | 74 | 66% | 0.664 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 135.7 | 169.8 | -174.6 | 167.4 | -165.3 | 0 | 0 | 109.7 | F77 | F77-E84 HydrophobicContact CD2-CB 4.38Å |
| 85 | I | 94.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 68.8 Ų | 68.8 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 111.5 | 178.3 | -58.3 | 172.8 | 0 | 0 | 0 | 106.6 | E76 D78 L83 N108 K110 | E76-I85 HydrophobicContact CB-CB 4.04Å; E76-I85 HydrophobicContact CB-CD1 4.36Å; E76-I85 PolarHBondContact N-O 2.7Å; E76-I85 PolarHBondContact O-N 3.23Å; D78-I85 HydrophobicContact CB-CD1 4.32Å; L83-I85 HydrophobicContact CD2-CG1 3.94Å; I85-N108 WeakPolarHBondContact CG2-ND2 3.14Å; I85-K110 HydrophobicContact CD1-CB 4.18Å; I85-K110 HydrophobicContact CD1-CG 3.91Å; I85-K110 HydrophobicContact CG1-CG 4Å; I85-K110 HydrophobicContact CG2-CB 4.23Å; I85-K110 HydrophobicContact CG2-CG 4.05Å |
| 86 | E | 96.6 | Very high | 95 | Very high | 105 Ų | 105 | 66.8 Ų | 66.8 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | trans | -65.8 | 148.6 | 177.5 | -63.8 | -179.5 | -166 | 0 | 0 | 111.6 | K88 N108 | E86-K88 VanDerWaalsContact C-N 3.3Å; E86-K88 HydrophobicContact CB-CB 4.43Å; E86-N108 WeakPolarHBondContact O-CB 3.36Å; E86-N108 PolarHBondContact O-ND2 3.26Å | ||
| 87 | E | 98.3 | Very high | 94.6 | Very high | 50 Ų | 50 | 69 Ų | 69 | 23% | 0.234 | 33% | 0.326 | C | S | . | . | trans | -77.2 | -15.9 | 174.5 | 60 | -92.3 | -139 | 0 | 0 | 113.6 | G44 G45 H73 P75 I89 | G44-E87 VanDerWaalsContact C-CG 3.46Å; G45-E87 WeakPolarHBondContact CA-O 3.4Å; H73-E87 HydrophobicContact CB-CB 4.19Å; H73-E87 VanDerWaalsContact CB-O 3.31Å; H73-E87 WeakPolarHBondContact CB-O 3.47Å; H73-E87 WeakPolarHBondContact O-CB 3.36Å; P75-E87 VanDerWaalsContact CB-OE2 3.26Å; P75-E87 WeakPolarHBondContact CB-OE2 3.43Å; P75-E87 VanDerWaalsContact CD-CD 3.47Å; P75-E87 WeakPolarHBondContact CD-OE2 3.45Å; P75-E87 WeakPolarHBondContact CG-OE1 3.43Å; P75-E87 VanDerWaalsContact CG-OE2 3.28Å; P75-E87 WeakPolarHBondContact CG-OE2 3.45Å; E87-I89 PolarHBondContact O-N 2.99Å | ||
| 88 | K | 98.6 | Very high | 94.1 | Very high | 60 Ų | 60 | 68.9 Ų | 68.9 | 26% | 0.261 | 33% | 0.334 | S | S | . | . | trans | -43.7 | 131.3 | -177.8 | 173 | 178.5 | 178 | 164.8 | 0 | 112.7 | H43 E86 N90 N108 | H43-K88 VanDerWaalsContact NE2-CE 3.33Å; H43-K88 WeakPolarHBondContact NE2-CE 3.3Å; H43-K88 PolarHBondContact NE2-NZ 3.37Å; H43-K88 WeakPolarHBondContact O-CA 3.46Å; H43-K88 PolarHBondContact O-N 3.46Å; E86-K88 VanDerWaalsContact C-N 3.3Å; E86-K88 HydrophobicContact CB-CB 4.43Å; K88-N90 PolarHBondContact O-N 2.95Å; K88-N108 VanDerWaalsContact O-CA 3.29Å; K88-N108 WeakPolarHBondContact O-CA 3.47Å; K88-N108 VanDerWaalsContact O-CB 3.25Å; K88-N108 WeakPolarHBondContact O-CB 3.5Å | ||
| 89 | I | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -82.6 | 112.1 | 177.2 | -50.1 | -57.8 | 0 | 0 | 0 | 110 | S27 D42 I47 H73 E87 I92 T107 | S27-I89 VanDerWaalsContact CB-O 3.25Å; S27-I89 WeakPolarHBondContact CB-O 3.43Å; S27-I89 PolarHBondContact OG-O 3.29Å; D42-I89 PolarHBondContact O-N 3.33Å; I47-I89 HydrophobicContact CG1-CG1 4.32Å; H73-I89 HydrophobicContact CB-CD1 4.3Å; H73-I89 VanDerWaalsContact CD2-CD1 3.47Å; H73-I89 WeakPolarHBondContact CD2-CD1 3.3Å; E87-I89 PolarHBondContact O-N 2.99Å; I89-I92 HydrophobicContact CG2-CD1 4.22Å; I89-I92 HydrophobicContact CG2-CG1 3.84Å; I89-T107 CarbonylContact C-O 3.6Å | ||
| 90 | N | 98.6 | Very high | 93.9 | Very high | 25 Ų | 25 | 69.7 Ų | 69.7 | 13% | 0.134 | 35% | 0.345 | C | S | . | . | trans | -80.8 | -44.2 | 179.9 | -67.2 | -13.7 | 0 | 0 | 0 | 112.3 | K88 T107 D109 I203 | K88-N90 PolarHBondContact O-N 2.95Å; N90-T107 HydrophobicContact CB-CG2 4.11Å; N90-T107 PolarHBondContact N-O 3.4Å; N90-D109 PolarHBondContact ND2-OD1 2.88Å; N90-I203 PolarHBondContact ND2-O 3.13Å | ||
| 91 | K | 98.8 | Very high | 94.1 | Very high | 45 Ų | 45 | 62.2 Ų | 62.2 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 145.7 | -179 | -66.1 | -62.9 | 174.9 | -147.5 | 0 | 112.1 | S106 T107 N204 L206 E370 | K91-S106 WeakPolarHBondContact O-CA 3.44Å; K91-T107 HydrophobicContact CB-CG2 4.05Å; K91-T107 PolarHBondContact O-N 3.06Å; K91-T107 VanDerWaalsContact O-N 3.09Å; K91-N204 WeakPolarHBondContact CE-O 3.37Å; K91-L206 HydrophobicContact CB-CB 4.17Å; K91-L206 HydrophobicContact CB-CD1 4.22Å; K91-L206 HydrophobicContact CB-CG 4.3Å; K91-E370 IonicContact NZ-OE1 3.9Å; K91-E370 PolarHBondContact NZ-OE1 2.87Å |
| 92 | I | 98.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.8 | 168.1 | -65.5 | 169.6 | 0 | 0 | 0 | 108.1 | E30 A39 I47 I89 L104 L105 | E30-I92 HydrophobicContact CB-CB 4.38Å; E30-I92 HydrophobicContact CB-CG2 4.39Å; E30-I92 WeakPolarHBondContact CG-O 3.44Å; A39-I92 HydrophobicContact CB-CD1 4.03Å; A39-I92 HydrophobicContact CB-CG2 4.01Å; I47-I92 HydrophobicContact CD1-CD1 4Å; I47-I92 HydrophobicContact CD1-CG1 4.19Å; I47-I92 HydrophobicContact CG1-CD1 4.01Å; I47-I92 HydrophobicContact CG2-CD1 4.07Å; I89-I92 HydrophobicContact CG2-CD1 4.22Å; I89-I92 HydrophobicContact CG2-CG1 3.84Å; I92-L104 HydrophobicContact CG2-CB 4.34Å; I92-L104 HydrophobicContact CG2-CD1 4.28Å; I92-L104 HydrophobicContact CG2-CD2 4.41Å; I92-L105 CarbonylContact C-O 3.59Å; I92-L105 VanDerWaalsContact CA-O 3.27Å; I92-L105 WeakPolarHBondContact CA-O 3.3Å |
| 93 | R | 98.6 | Very high | 94.8 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 122.9 | 171.5 | -70.9 | -61.2 | -167.5 | -177.5 | -7.1 | 110.9 | E30 L104 L105 L206 V208 | E30-R93 WeakPolarHBondContact OE1-CD 3.37Å; E30-R93 IonicContact OE1-CZ 3.44Å; E30-R93 IonicContact OE1-NE 3.99Å; E30-R93 IonicContact OE1-NH1 3.4Å; E30-R93 PolarHBondContact OE1-NH1 3.09Å; E30-R93 IonicContact OE2-CZ 3.39Å; E30-R93 IonicContact OE2-NH1 3.72Å; E30-R93 PolarHBondContact OE2-NH1 3.2Å; R93-L104 CarbonylContact O-C 3.6Å; R93-L104 WeakPolarHBondContact O-CA 3.49Å; R93-L105 PolarHBondContact N-O 2.77Å; R93-L105 PolarHBondContact O-N 2.82Å; R93-L206 HydrophobicContact CG-CB 3.87Å; R93-L206 WeakPolarHBondContact CG-O 3.42Å; R93-L206 PolarHBondContact NE-O 3.4Å; R93-V208 HydrophobicContact CB-CG1 4.3Å |
| 94 | W | 98.4 | Very high | 95.2 | Very high | 9 Ų | 9 | 50.2 Ų | 50.2 | 3% | 0.034 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 138.3 | 175.6 | -64.4 | 95.1 | 0 | 0 | 0 | 111.8 | E30 D32 F37 A39 V49 Q102 L104 | E30-W94 PolarHBondContact O-NE1 3.27Å; D32-W94 VanDerWaalsContact CA-CD1 3.41Å; D32-W94 HydrophobicContact CB-CB 4Å; D32-W94 HydrophobicContact CB-CD2 3.66Å; D32-W94 HydrophobicContact CB-CE3 4.23Å; D32-W94 HydrophobicContact CB-CG 3.55Å; F37-W94 HydrophobicContact CB-CH2 3.94Å; F37-W94 HydrophobicContact CB-CZ2 3.93Å; A39-W94 HydrophobicContact CB-CH2 4.45Å; A39-W94 HydrophobicContact CB-CZ2 3.52Å; V49-W94 HydrophobicContact CG1-CH2 3.76Å; V49-W94 HydrophobicContact CG1-CZ2 4.18Å; V49-W94 HydrophobicContact CG2-CH2 4.12Å; W94-Q102 HydrophobicContact CZ3-CB 3.92Å; W94-L104 HydrophobicContact CD2-CB 4.13Å; W94-L104 HydrophobicContact CE3-CB 3.85Å; W94-L104 HydrophobicContact CE3-CD2 4.2Å; W94-L104 HydrophobicContact CH2-CD2 3.78Å; W94-L104 HydrophobicContact CZ2-CD2 4.15Å; W94-L104 HydrophobicContact CZ3-CB 4.24Å; W94-L104 HydrophobicContact CZ3-CD2 3.79Å |
| 95 | L | 97.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 148.2 | 166.9 | -79.8 | 68.8 | 0 | 0 | 0 | 109.2 | R97 F103 L105 L114 V208 L228 | L95-R97 PolarHBondContact O-N 3.03Å; L95-F103 HydrophobicContact CB-CB 3.93Å; L95-F103 HydrophobicContact CD2-CB 4.1Å; L95-F103 HydrophobicContact CG-CB 4.41Å; L95-F103 PolarHBondContact N-O 2.8Å; L95-L105 HydrophobicContact CD1-CD1 4.07Å; L95-L105 HydrophobicContact CD1-CG 3.82Å; L95-L114 HydrophobicContact CD1-CD1 3.74Å; L95-L114 HydrophobicContact CD2-CD1 3.78Å; L95-L114 HydrophobicContact CG-CD1 4.44Å; L95-V208 HydrophobicContact CD1-CG1 4.1Å; L95-V208 HydrophobicContact CG-CG1 4.33Å; L95-L228 HydrophobicContact CD2-CD1 3.89Å; L95-L228 HydrophobicContact CD2-CD2 3.94Å |
| 96 | P | 92.5 | Very high | 95.6 | Very high | 35 Ų | 35 | 42.9 Ų | 42.9 | 23% | 0.227 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 135.6 | 169.8 | -24.9 | 35.8 | 0 | 0 | 0 | 111.5 | K33 T98 Q212 | K33-P96 HydrophobicContact CD-CG 4.47Å; P96-T98 PolarHBondContact O-N 3.45Å; P96-Q212 HydrophobicContact CG-CG 4.25Å |
| 97 | R | 86.3 | Confident | 95.7 | Very high | 122 Ų | 122 | 37.9 Ų | 37.9 | 46% | 0.46 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -70.7 | 120.9 | -178.4 | -169.5 | 178.4 | -175.6 | -164.6 | 9.9 | 110.8 | L95 N99 H100 | L95-R97 PolarHBondContact O-N 3.03Å; R97-N99 WeakPolarHBondContact CG-O 3.3Å; R97-N99 PolarHBondContact NE-O 2.58Å; R97-H100 PolarHBondContact NH2-O 2.73Å |
| 98 | T | 85.2 | Confident | 95.7 | Very high | 98 Ų | 98 | 35.5 Ų | 35.5 | 60% | 0.601 | 17% | 0.171 | S | C | * | . | trans | -109.1 | -15.4 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | P96 | P96-T98 PolarHBondContact O-N 3.45Š| ||
| 99 | N | 88.5 | Confident | 95.6 | Very high | 81 Ų | 81 | 33.7 Ų | 33.7 | 43% | 0.433 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -154.2 | -165.7 | 177.7 | 61.2 | 60.7 | 0 | 0 | 0 | 110 | R97 A101 | R97-N99 WeakPolarHBondContact CG-O 3.3Å; R97-N99 PolarHBondContact NE-O 2.58Å; N99-A101 PolarHBondContact O-N 3.24Å; N99-A101 WeakPolarHBondContact OD1-CA 3.49Å; N99-A101 WeakPolarHBondContact OD1-CB 3.16Å; N99-A101 PolarHBondContact OD1-N 2.92Å |
| 100 | H | 87.6 | Confident | 95.5 | Very high | 171 Ų | 171 | 34.9 Ų | 34.9 | 79% | 0.792 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -66.1 | -25.8 | -177.9 | -65.7 | -65.5 | 0 | 0 | 0 | 114.1 | R97 | R97-H100 PolarHBondContact NH2-O 2.73Š|
| 101 | A | 93.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.033 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -73.5 | 148.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N99 F103 R116 I117 T118 | N99-A101 PolarHBondContact O-N 3.24Å; N99-A101 WeakPolarHBondContact OD1-CA 3.49Å; N99-A101 WeakPolarHBondContact OD1-CB 3.16Å; N99-A101 PolarHBondContact OD1-N 2.92Å; A101-F103 HydrophobicContact CB-CE2 3.76Å; A101-F103 HydrophobicContact CB-CZ 3.87Å; A101-R116 HydrophobicContact CB-CG 4.04Å; A101-I117 CarbonylContact C-O 3.59Å; A101-I117 WeakPolarHBondContact CA-O 3.45Å; A101-T118 HydrophobicContact CB-CG2 3.34Å |
| 102 | Q | 96.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 3% | 0.033 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 145.9 | 168.4 | -49.3 | -61.6 | -3.7 | 0 | 0 | 110 | F37 W94 I117 | F37-Q102 HydrophobicContact CE2-CG 4.28Å; F37-Q102 HydrophobicContact CZ-CG 4.33Å; W94-Q102 HydrophobicContact CZ3-CB 3.92Å; Q102-I117 HydrophobicContact CB-CB 4.25Å; Q102-I117 PolarHBondContact N-O 2.92Å; Q102-I117 PolarHBondContact O-N 2.88Å |
| 103 | F | 97.9 | Very high | 95.5 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 132.4 | 179.5 | -63.4 | -85.2 | 0 | 0 | 0 | 109.6 | L95 A101 L114 W115 R116 K192 | L95-F103 HydrophobicContact CB-CB 3.93Å; L95-F103 HydrophobicContact CD2-CB 4.1Å; L95-F103 HydrophobicContact CG-CB 4.41Å; L95-F103 PolarHBondContact N-O 2.8Å; A101-F103 HydrophobicContact CB-CE2 3.76Å; A101-F103 HydrophobicContact CB-CZ 3.87Å; F103-L114 HydrophobicContact CB-CD1 4.23Å; F103-W115 VanDerWaalsContact CA-O 3.31Å; F103-W115 WeakPolarHBondContact CA-O 3.16Å; F103-R116 HydrophobicContact CD1-CB 4Å; F103-R116 HydrophobicContact CD1-CG 4.15Å; F103-R116 HydrophobicContact CE1-CB 3.65Å; F103-R116 HydrophobicContact CE1-CG 3.48Å; F103-R116 VanDerWaalsContact CE1-CG 3.48Å; F103-R116 HydrophobicContact CZ-CG 3.9Å; F103-K192 HydrophobicContact CD1-CD 4.4Å; F103-K192 HydrophobicContact CE1-CD 3.91Å |
| 104 | L | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 148.2 | 173.7 | 64.5 | 83.8 | 0 | 0 | 0 | 110.1 | I47 V49 I92 R93 W94 W115 I117 | I47-L104 HydrophobicContact CD1-CD1 3.97Å; V49-L104 HydrophobicContact CG2-CD2 4.39Å; I92-L104 HydrophobicContact CG2-CB 4.34Å; I92-L104 HydrophobicContact CG2-CD1 4.28Å; I92-L104 HydrophobicContact CG2-CD2 4.41Å; R93-L104 CarbonylContact O-C 3.6Å; R93-L104 WeakPolarHBondContact O-CA 3.49Å; W94-L104 HydrophobicContact CD2-CB 4.13Å; W94-L104 HydrophobicContact CE3-CB 3.85Å; W94-L104 HydrophobicContact CE3-CD2 4.2Å; W94-L104 HydrophobicContact CH2-CD2 3.78Å; W94-L104 HydrophobicContact CZ2-CD2 4.15Å; W94-L104 HydrophobicContact CZ3-CB 4.24Å; W94-L104 HydrophobicContact CZ3-CD2 3.79Å; L104-W115 HydrophobicContact CD1-CB 4.02Å; L104-W115 HydrophobicContact CD1-CG 4.18Å; L104-W115 HydrophobicContact CG-CB 4.18Å; L104-W115 PolarHBondContact N-O 3.36Å; L104-W115 PolarHBondContact O-N 2.85Å; L104-I117 HydrophobicContact CD2-CD1 3.81Å; L104-I117 HydrophobicContact CG-CD1 4.48Å |
| 105 | L | 98.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 138.7 | 164.2 | -69.4 | 162.5 | 0 | 0 | 0 | 108.5 | I92 R93 L95 I112 K113 L114 F195 L206 V208 F215 L228 | I92-L105 CarbonylContact C-O 3.59Å; I92-L105 VanDerWaalsContact CA-O 3.27Å; I92-L105 WeakPolarHBondContact CA-O 3.3Å; R93-L105 PolarHBondContact N-O 2.77Å; R93-L105 PolarHBondContact O-N 2.82Å; L95-L105 HydrophobicContact CD1-CD1 4.07Å; L95-L105 HydrophobicContact CD1-CG 3.82Å; L105-I112 HydrophobicContact CB-CG2 4.47Å; L105-I112 HydrophobicContact CD2-CG2 3.9Å; L105-K113 CarbonylContact C-O 3.59Å; L105-K113 VanDerWaalsContact CA-O 3.29Å; L105-K113 WeakPolarHBondContact CA-O 3.36Å; L105-L114 HydrophobicContact CD2-CB 3.83Å; L105-L114 HydrophobicContact CD2-CD1 4.1Å; L105-L114 HydrophobicContact CG-CD1 4.32Å; L105-F195 HydrophobicContact CD2-CE2 4.09Å; L105-L206 HydrophobicContact CB-CD1 4.21Å; L105-V208 HydrophobicContact CD1-CG1 3.85Å; L105-F215 HydrophobicContact CD1-CB 4.03Å; L105-F215 HydrophobicContact CD1-CD1 4.02Å; L105-F215 HydrophobicContact CD1-CD2 3.88Å; L105-F215 HydrophobicContact CD1-CE1 4.44Å; L105-F215 HydrophobicContact CD1-CE2 4.33Å; L105-F215 HydrophobicContact CD1-CG 3.71Å; L105-F215 HydrophobicContact CD2-CE1 4.42Å; L105-F215 HydrophobicContact CD2-CZ 4.38Å; L105-L228 HydrophobicContact CD1-CD2 4.41Å |
| 106 | S | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.2 | 168.1 | 63.1 | 0 | 0 | 0 | 0 | 109.1 | S72 H73 K91 I112 K113 W115 | S72-S106 PolarHBondContact OG-OG 2.79Å; H73-S106 PolarHBondContact NE2-OG 2.87Å; K91-S106 WeakPolarHBondContact O-CA 3.44Å; S106-I112 CarbonylContact O-C 3.53Å; S106-I112 VanDerWaalsContact O-CA 3.25Å; S106-I112 WeakPolarHBondContact O-CA 3.48Å; S106-K113 PolarHBondContact N-O 2.79Å; S106-K113 PolarHBondContact O-N 2.8Å; S106-W115 PolarHBondContact OG-NE1 2.78Å; S106-W115 VanDerWaalsContact OG-NE1 3.07Å |
| 107 | T | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144.8 | 171.5 | -166.9 | 0 | 0 | 0 | 0 | 111.3 | I89 N90 K91 T111 I112 I203 L206 | I89-T107 CarbonylContact C-O 3.6Å; N90-T107 HydrophobicContact CB-CG2 4.11Å; N90-T107 PolarHBondContact N-O 3.4Å; K91-T107 HydrophobicContact CB-CG2 4.05Å; K91-T107 PolarHBondContact O-N 3.06Å; K91-T107 VanDerWaalsContact O-N 3.09Å; T107-T111 WeakPolarHBondContact CA-O 3.21Å; T107-T111 PolarHBondContact OG1-O 3.04Å; T107-I112 WeakPolarHBondContact OG1-CG1 3.27Å; T107-I203 HydrophobicContact CG2-CB 4.45Å; T107-I203 HydrophobicContact CG2-CG2 3.81Å; T107-I203 WeakPolarHBondContact OG1-CD1 3.44Å; T107-L206 HydrophobicContact CG2-CD1 3.53Å; T107-L206 HydrophobicContact CG2-CG 3.78Å |
| 108 | N | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -97.3 | -155.1 | 154.2 | 70.4 | -5 | 0 | 0 | 0 | 109 | H73 I85 E86 K88 K110 T111 | H73-N108 HydrophobicContact CB-CB 4.42Å; I85-N108 WeakPolarHBondContact CG2-ND2 3.14Å; E86-N108 WeakPolarHBondContact O-CB 3.36Å; E86-N108 PolarHBondContact O-ND2 3.26Å; K88-N108 VanDerWaalsContact O-CA 3.29Å; K88-N108 WeakPolarHBondContact O-CA 3.47Å; K88-N108 VanDerWaalsContact O-CB 3.25Å; K88-N108 WeakPolarHBondContact O-CB 3.5Å; N108-K110 VanDerWaalsContact C-N 3.29Å; N108-K110 PolarHBondContact O-N 2.87Å; N108-K110 PolarHBondContact OD1-N 2.82Å; N108-K110 VanDerWaalsContact OD1-N 3.15Å; N108-T111 PolarHBondContact N-O 2.92Å; N108-T111 PolarHBondContact OD1-N 3.07Å; N108-T111 PolarHBondContact OD1-O 2.83Å | ||
| 109 | D | 97.4 | Very high | 96.3 | Very high | 23 Ų | 23 | 27.8 Ų | 27.8 | 12% | 0.123 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -67 | -22 | -176.8 | -73.4 | -22.3 | 0 | 0 | 0 | 115.7 | N90 L202 I203 | N90-D109 PolarHBondContact ND2-OD1 2.88Å; D109-L202 HydrophobicContact CB-CB 4.37Å; D109-L202 HydrophobicContact CB-CD2 3.8Å; D109-I203 WeakPolarHBondContact O-CG1 3.47Å; D109-I203 PolarHBondContact O-N 3.12Å |
| 110 | K | 96.9 | Very high | 96 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 11% | 0.109 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -134 | -26 | -170.3 | -59.3 | -62.2 | 170.5 | -161.3 | 0 | 114.9 | I85 N108 T200 Y201 | I85-K110 HydrophobicContact CD1-CB 4.18Å; I85-K110 HydrophobicContact CD1-CG 3.91Å; I85-K110 HydrophobicContact CG1-CG 4Å; I85-K110 HydrophobicContact CG2-CB 4.23Å; I85-K110 HydrophobicContact CG2-CG 4.05Å; N108-K110 VanDerWaalsContact C-N 3.29Å; N108-K110 PolarHBondContact O-N 2.87Å; N108-K110 PolarHBondContact OD1-N 2.82Å; N108-K110 VanDerWaalsContact OD1-N 3.15Å; K110-T200 PolarHBondContact NZ-O 3.06Å; K110-Y201 PolarHBondContact NZ-O 2.95Å |
| 111 | T | 98 | Very high | 95.7 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 7% | 0.074 | 11% | 0.114 | C | C | . | . | trans | -125.7 | 133.1 | -168.3 | -62.6 | 0 | 0 | 0 | 0 | 109.8 | H73 T107 N108 K113 I194 A196 | H73-T111 PolarHBondContact CE1-O 2.91Å; T107-T111 WeakPolarHBondContact CA-O 3.21Å; T107-T111 PolarHBondContact OG1-O 3.04Å; N108-T111 PolarHBondContact N-O 2.92Å; N108-T111 PolarHBondContact OD1-N 3.07Å; N108-T111 PolarHBondContact OD1-O 2.83Å; T111-K113 HydrophobicContact CG2-CG 4.29Å; T111-I194 HydrophobicContact CG2-CG2 3.48Å; T111-I194 VanDerWaalsContact CG2-CG2 3.48Å; T111-A196 HydrophobicContact CG2-CB 4.31Å | ||
| 112 | I | 98.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.6 | 176.3 | -55.9 | 158.6 | 0 | 0 | 0 | 107.6 | L105 S106 T107 I194 F195 I203 L206 F215 | L105-I112 HydrophobicContact CB-CG2 4.47Å; L105-I112 HydrophobicContact CD2-CG2 3.9Å; S106-I112 CarbonylContact O-C 3.53Å; S106-I112 VanDerWaalsContact O-CA 3.25Å; S106-I112 WeakPolarHBondContact O-CA 3.48Å; T107-I112 WeakPolarHBondContact OG1-CG1 3.27Å; I112-I194 CarbonylContact O-C 3.56Å; I112-I194 WeakPolarHBondContact O-CA 3.35Å; I112-F195 HydrophobicContact CB-CB 4.21Å; I112-F195 HydrophobicContact CB-CD2 4.38Å; I112-F195 HydrophobicContact CG2-CD2 4.21Å; I112-F195 PolarHBondContact N-O 2.83Å; I112-F195 PolarHBondContact O-N 2.94Å; I112-I203 HydrophobicContact CD1-CD1 4.06Å; I112-I203 HydrophobicContact CG1-CD1 3.86Å; I112-L206 HydrophobicContact CD1-CD2 3.79Å; I112-L206 HydrophobicContact CG1-CD2 4.04Å; I112-L206 HydrophobicContact CG2-CD1 4.31Å; I112-L206 HydrophobicContact CG2-CD2 4.13Å; I112-F215 HydrophobicContact CD1-CE2 4.04Å; I112-F215 HydrophobicContact CG2-CE2 4.13Å; I112-F215 HydrophobicContact CG2-CZ 4.32Å |
| 113 | K | 98.8 | Very high | 94.4 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.3 | 177.7 | -65 | -177.7 | -176.5 | 175.1 | 0 | 110.2 | S72 L105 S106 T111 W115 R193 I194 | S72-K113 VanDerWaalsContact O-CD 3.26Å; S72-K113 WeakPolarHBondContact O-CD 3.36Å; S72-K113 WeakPolarHBondContact O-CE 3.25Å; S72-K113 PolarHBondContact O-NZ 2.94Å; L105-K113 CarbonylContact C-O 3.59Å; L105-K113 VanDerWaalsContact CA-O 3.29Å; L105-K113 WeakPolarHBondContact CA-O 3.36Å; S106-K113 PolarHBondContact N-O 2.79Å; S106-K113 PolarHBondContact O-N 2.8Å; T111-K113 HydrophobicContact CG2-CG 4.29Å; K113-W115 HydrophobicContact CB-CZ2 4.47Å; K113-W115 HydrophobicContact CD-CZ2 3.84Å; K113-R193 CarbonylContact C-O 3.52Å; K113-R193 WeakPolarHBondContact CA-O 3.37Å; K113-I194 HydrophobicContact CG-CG1 4.19Å; K113-I194 HydrophobicContact CG-CG2 4.29Å |
| 114 | L | 98.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 114.3 | 167.8 | 174.7 | 63.6 | 0 | 0 | 0 | 108.4 | L95 F103 L105 K192 R193 F195 | L95-L114 HydrophobicContact CD1-CD1 3.74Å; L95-L114 HydrophobicContact CD2-CD1 3.78Å; L95-L114 HydrophobicContact CG-CD1 4.44Å; F103-L114 HydrophobicContact CB-CD1 4.23Å; L105-L114 HydrophobicContact CD2-CB 3.83Å; L105-L114 HydrophobicContact CD2-CD1 4.1Å; L105-L114 HydrophobicContact CG-CD1 4.32Å; L114-K192 HydrophobicContact CD2-CD 4.14Å; L114-K192 HydrophobicContact CG-CB 4.43Å; L114-K192 WeakPolarHBondContact O-CA 3.47Å; L114-K192 WeakPolarHBondContact O-CB 3.49Å; L114-K192 PolarHBondContact O-N 3.21Å; L114-R193 HydrophobicContact CB-CB 4.12Å; L114-R193 PolarHBondContact N-O 2.75Å; L114-R193 PolarHBondContact O-N 3.38Å; L114-F195 HydrophobicContact CB-CE2 3.99Å |
| 115 | W | 98.6 | Very high | 92.2 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 6% | 0.057 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 143.2 | 178.6 | -69.2 | 90.9 | 0 | 0 | 0 | 111.3 | F70 V71 S72 F103 L104 S106 K113 P191 | F70-W115 HydrophobicContact CD2-CD2 4.07Å; F70-W115 AromaticContact CD2-CE3 3.77Å; F70-W115 HydrophobicContact CD2-CE3 3.77Å; F70-W115 HydrophobicContact CD2-CH2 4.11Å; F70-W115 HydrophobicContact CD2-CZ2 4.41Å; F70-W115 AromaticContact CD2-CZ3 3.75Å; F70-W115 HydrophobicContact CD2-CZ3 3.75Å; F70-W115 HydrophobicContact CE2-CB 4.48Å; F70-W115 AromaticContact CE2-CD2 3.44Å; F70-W115 HydrophobicContact CE2-CD2 3.44Å; F70-W115 VanDerWaalsContact CE2-CD2 3.44Å; F70-W115 AromaticContact CE2-CE2 3.8Å; F70-W115 AromaticContact CE2-CE3 3.57Å; F70-W115 HydrophobicContact CE2-CE3 3.57Å; F70-W115 AromaticContact CE2-CG 3.81Å; F70-W115 HydrophobicContact CE2-CG 3.81Å; F70-W115 HydrophobicContact CE2-CH2 4.39Å; F70-W115 HydrophobicContact CE2-CZ2 4.32Å; F70-W115 HydrophobicContact CE2-CZ3 4.02Å; F70-W115 HydrophobicContact CZ-CB 4.46Å; F70-W115 HydrophobicContact CZ-CD2 4.24Å; F70-W115 HydrophobicContact CZ-CE3 4.4Å; F70-W115 HydrophobicContact CZ-CG 4.21Å; V71-W115 WeakPolarHBondContact O-CH2 3.44Å; S72-W115 VanDerWaalsContact CA-CZ2 3.42Å; S72-W115 WeakPolarHBondContact O-CZ2 3.25Å; S72-W115 PolarHBondContact OG-NE1 2.84Å; F103-W115 VanDerWaalsContact CA-O 3.31Å; F103-W115 WeakPolarHBondContact CA-O 3.16Å; L104-W115 HydrophobicContact CD1-CB 4.02Å; L104-W115 HydrophobicContact CD1-CG 4.18Å; L104-W115 HydrophobicContact CG-CB 4.18Å; L104-W115 PolarHBondContact N-O 3.36Å; L104-W115 PolarHBondContact O-N 2.85Å; S106-W115 PolarHBondContact OG-NE1 2.78Å; S106-W115 VanDerWaalsContact OG-NE1 3.07Å; K113-W115 HydrophobicContact CB-CZ2 4.47Å; K113-W115 HydrophobicContact CD-CZ2 3.84Å; W115-P191 HydrophobicContact CD2-CB 4.44Å; W115-P191 HydrophobicContact CE3-CB 4.34Å; W115-P191 HydrophobicContact CH2-CB 3.97Å; W115-P191 HydrophobicContact CH2-CG 4.03Å; W115-P191 HydrophobicContact CZ2-CB 4.02Å; W115-P191 HydrophobicContact CZ3-CB 4.15Å; W115-P191 HydrophobicContact CZ3-CG 4.2Å; W115-P191 VanDerWaalsContact CZ3-N 3.35Å |
| 116 | R | 97.6 | Very high | 90.5 | Very high | 93 Ų | 93 | 45.4 Ų | 45.4 | 35% | 0.351 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.2 | 164.5 | -177 | 173.2 | 71.4 | 155.5 | 3.1 | 108.5 | A101 F103 T118 T189 H190 K192 | A101-R116 HydrophobicContact CB-CG 4.04Å; F103-R116 HydrophobicContact CD1-CB 4Å; F103-R116 HydrophobicContact CD1-CG 4.15Å; F103-R116 HydrophobicContact CE1-CB 3.65Å; F103-R116 HydrophobicContact CE1-CG 3.48Å; F103-R116 VanDerWaalsContact CE1-CG 3.48Å; F103-R116 HydrophobicContact CZ-CG 3.9Å; R116-T118 HydrophobicContact CG-CG2 4.11Å; R116-T189 WeakPolarHBondContact O-CA 3.41Å; R116-H190 VanDerWaalsContact CZ-NE2 3.27Å; R116-H190 PolarHBondContact N-O 2.74Å; R116-H190 PolarHBondContact NE-CE1 3.16Å; R116-H190 PolarHBondContact NE-NE2 2.7Å; R116-H190 PolarHBondContact NH2-CE1 3.24Å; R116-H190 PolarHBondContact NH2-NE2 2.95Å; R116-H190 PolarHBondContact O-N 2.99Å; R116-H190 VanDerWaalsContact O-N 3.16Å; R116-K192 HydrophobicContact CB-CB 4.41Å |
| 117 | I | 97.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122 | 176.6 | -55.1 | 173.4 | 0 | 0 | 0 | 107.5 | V49 Y67 F70 A101 Q102 L104 M187 T189 | V49-I117 HydrophobicContact CG2-CD1 3.96Å; Y67-I117 HydrophobicContact CD1-CG2 4.37Å; Y67-I117 HydrophobicContact CE1-CG2 3.84Å; F70-I117 HydrophobicContact CE1-CD1 3.88Å; F70-I117 HydrophobicContact CE1-CG1 4.36Å; F70-I117 HydrophobicContact CZ-CD1 4.2Å; A101-I117 CarbonylContact C-O 3.59Å; A101-I117 WeakPolarHBondContact CA-O 3.45Å; Q102-I117 HydrophobicContact CB-CB 4.25Å; Q102-I117 PolarHBondContact N-O 2.92Å; Q102-I117 PolarHBondContact O-N 2.88Å; L104-I117 HydrophobicContact CD2-CD1 3.81Å; L104-I117 HydrophobicContact CG-CD1 4.48Å; I117-M187 HydrophobicContact CG2-CE 3.46Å; I117-M187 VanDerWaalsContact CG2-CE 3.46Å; I117-T189 HydrophobicContact CB-CG2 4.39Å; I117-T189 HydrophobicContact CG1-CG2 4.03Å; I117-T189 HydrophobicContact CG2-CG2 4.06Å |
| 118 | T | 93.4 | Very high | 86 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.3 | -179.8 | 43.9 | 0 | 0 | 0 | 0 | 111.2 | A101 R116 M187 D188 | A101-T118 HydrophobicContact CB-CG2 3.34Å; R116-T118 HydrophobicContact CG-CG2 4.11Å; T118-M187 WeakPolarHBondContact O-CE 3.39Å; T118-D188 PolarHBondContact N-O 3.09Å; T118-D188 PolarHBondContact O-N 2.73Å; T118-D188 PolarHBondContact OG1-O 3.2Å |
| 119 | E | 89 | Confident | 83.3 | Confident | 79 Ų | 79 | 58.7 Ų | 58.7 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.1 | 171.9 | -170.5 | 170.9 | 174.6 | 0 | 0 | 108.9 | Y67 P185 M187 | Y67-E119 PolarHBondContact OH-OE2 3.27Å; Y67-E119 VanDerWaalsContact OH-OE2 3.07Å; E119-P185 HydrophobicContact CG-CB 3.61Å; E119-P185 WeakPolarHBondContact OE1-CB 3.47Å; E119-M187 HydrophobicContact CB-CE 4.35Å; E119-M187 HydrophobicContact CB-SD 3.64Å; E119-M187 HydrophobicContact CG-SD 3.73Å |
| 120 | R | 81.9 | Confident | 80.7 | Confident | 131 Ų | 131 | 63.2 Ų | 63.2 | 49% | 0.494 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 107 | 176.5 | -57.8 | -171.1 | -153.3 | 150.4 | -0.2 | 109.1 | V186 D188 | R120-V186 PolarHBondContact N-O 3.02Å; R120-V186 PolarHBondContact O-N 3.01Å; R120-D188 IonicContact CZ-OD2 3.03Å; R120-D188 IonicContact NE-OD2 3.46Å; R120-D188 PolarHBondContact NE-OD2 2.92Å; R120-D188 IonicContact NH2-OD1 3.39Å; R120-D188 PolarHBondContact NH2-OD1 3.28Å; R120-D188 IonicContact NH2-OD2 2.69Å; R120-D188 PolarHBondContact NH2-OD2 3.25Å |
| 121 | C | 82 | Confident | 77.9 | Confident | 57 Ų | 57 | 65.3 Ų | 65.3 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 2.9 | 174.8 | -46.5 | 0 | 0 | 0 | 0 | 113.2 | D182 I183 | C121-D182 WeakPolarHBondContact O-CA 3.22Å; C121-I183 PolarHBondContact O-N 2.95Å |
| 122 | R | 82.5 | Confident | 75.2 | Confident | 158 Ų | 158 | 68.7 Ų | 68.7 | 60% | 0.596 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 138.1 | -174.6 | -69.5 | -175.6 | 172.4 | 173.7 | 1 | 111.5 | Y180 E181 D182 | R122-Y180 HydrophobicContact CB-CD1 4.06Å; R122-E181 WeakPolarHBondContact CA-O 3.5Å; R122-D182 WeakPolarHBondContact CG-OD1 3.31Å; R122-D182 IonicContact CZ-OD1 3.57Å; R122-D182 IonicContact NE-OD1 2.81Å; R122-D182 PolarHBondContact NE-OD1 3.05Å; R122-D182 IonicContact NH2-OD1 3.46Å; R122-D182 PolarHBondContact NH2-OD1 3.06Å |
| 123 | R | 79.1 | Confident | 72.4 | Confident | 134 Ų | 134 | 74.4 Ų | 74.4 | 51% | 0.506 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 148.9 | 170.3 | -161.8 | 167.1 | 99.2 | 154 | 0.9 | 109.7 | A125 N126 Y180 E181 I183 | R123-A125 PolarHBondContact O-N 3.14Å; R123-A125 VanDerWaalsContact O-N 3.16Å; R123-N126 PolarHBondContact NH2-ND2 3.41Å; R123-Y180 VanDerWaalsContact O-CA 3.31Å; R123-Y180 WeakPolarHBondContact O-CA 3.04Å; R123-E181 PolarHBondContact N-O 2.87Å; R123-E181 PolarHBondContact O-N 2.91Å; R123-I183 HydrophobicContact CB-CD1 4.1Å; R123-I183 HydrophobicContact CB-CG1 4.48Å; R123-I183 HydrophobicContact CB-CG2 4.04Å |
| 124 | V | 78.3 | Confident | 69.4 | Low | 59 Ų | 59 | 83.3 Ų | 83.3 | 36% | 0.358 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 117.6 | 165.6 | 179.5 | 0 | 0 | 0 | 0 | 106.1 | N126 P178 Y180 | V124-N126 PolarHBondContact O-N 2.88Å; V124-N126 VanDerWaalsContact O-N 3.12Å; V124-P178 HydrophobicContact CG1-CB 3.77Å; V124-Y180 HydrophobicContact CG2-CD1 4.11Å; V124-Y180 HydrophobicContact CG2-CE1 3.51Å |
| 125 | A | 72.3 | Confident | 66.4 | Low | 1 Ų | 1 | 92 Ų | 92 | 1% | 0.008 | 47% | 0.465 | C | S | . | . | trans | -58.1 | 123.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | R123 S127 Y179 E181 | R123-A125 PolarHBondContact O-N 3.14Å; R123-A125 VanDerWaalsContact O-N 3.16Å; A125-S127 VanDerWaalsContact C-N 3.31Å; A125-S127 PolarHBondContact O-N 3.38Å; A125-Y179 HydrophobicContact CB-CD1 4.37Å; A125-Y179 HydrophobicContact CB-CD2 3.94Å; A125-Y179 HydrophobicContact CB-CE1 3.89Å; A125-Y179 HydrophobicContact CB-CE2 3.39Å; A125-Y179 HydrophobicContact CB-CG 4.38Å; A125-Y179 PolarHBondContact N-O 3.2Å; A125-E181 HydrophobicContact CB-CB 4.4Å; A125-E181 HydrophobicContact CB-CG 4.14Å | ||
| 126 | N | 63.1 | Low | 63.4 | Low | 113 Ų | 113 | 96.9 Ų | 96.9 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | trans | -59.6 | 107 | 169.9 | -75.3 | -12.3 | 0 | 0 | 0 | 104.5 | R123 V124 S128 | R123-N126 PolarHBondContact NH2-ND2 3.41Å; V124-N126 PolarHBondContact O-N 2.88Å; V124-N126 VanDerWaalsContact O-N 3.12Å; N126-S128 PolarHBondContact O-N 3.33Å | ||
| 127 | S | 55.4 | Low | 60.3 | Low | 56 Ų | 56 | 100.1 Ų | 100.1 | 39% | 0.392 | 52% | 0.515 | S | S | . | . | trans | -63.7 | 88.2 | 163.5 | -68.1 | 0 | 0 | 0 | 0 | 104.4 | A125 C129 | A125-S127 VanDerWaalsContact C-N 3.31Å; A125-S127 PolarHBondContact O-N 3.38Å; S127-C129 PolarHBondContact O-N 3.05Å | ||
| 128 | S | 48.1 | Very low | 57.3 | Low | 111 Ų | 111 | 105.9 Ų | 105.9 | 78% | 0.776 | 55% | 0.545 | S | S | * | . | trans | -49 | 113 | 179.3 | -69 | 0 | 0 | 0 | 0 | 106.5 | N126 I130 | N126-S128 PolarHBondContact O-N 3.33Å; S128-I130 PolarHBondContact O-N 2.89Å | ||
| 129 | C | 41.8 | Very low | 54.2 | Low | 111 Ų | 111 | 113 Ų | 113 | 75% | 0.75 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -56.4 | 126.4 | -172.1 | -38.8 | 0 | 0 | 0 | 0 | 107.2 | S127 | S127-C129 PolarHBondContact O-N 3.05Š|
| 130 | I | 42.9 | Very low | 51.5 | Low | 118 Ų | 118 | 114 Ų | 114 | 61% | 0.605 | 59% | 0.594 | S | S | * | * | trans | 68.7 | 89.9 | 156.7 | -44.2 | 164.6 | 0 | 0 | 0 | 112.8 | S128 S132 | S128-I130 PolarHBondContact O-N 2.89Å; I130-S132 VanDerWaalsContact C-N 3.31Å; I130-S132 PolarHBondContact O-N 3.43Å | ||
| 131 | S | 38.9 | Very low | 49 | Very low | 70 Ų | 70 | 114.5 Ų | 114.5 | 49% | 0.49 | 61% | 0.612 | S | S | . | * | trans | -55.4 | 109.3 | 145.5 | 159.9 | 0 | 0 | 0 | 0 | 105.6 | D133 | S131-D133 PolarHBondContact O-N 2.98Å; S131-D133 PolarHBondContact OG-OD2 2.98Å | ||
| 132 | S | 41.4 | Very low | 46.7 | Very low | 82 Ų | 82 | 116.8 Ų | 116.8 | 57% | 0.573 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -65.5 | 4 | 178.6 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | I130 Y134 | I130-S132 VanDerWaalsContact C-N 3.31Å; I130-S132 PolarHBondContact O-N 3.43Å; S132-Y134 VanDerWaalsContact C-N 3.28Å; S132-Y134 PolarHBondContact O-N 3.19Å |
| 133 | D | 38.6 | Very low | 44.3 | Very low | 121 Ų | 121 | 114.5 Ų | 114.5 | 65% | 0.647 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -84.7 | 0.2 | -166.1 | -55.2 | -36.3 | 0 | 0 | 0 | 113.6 | S131 | S131-D133 PolarHBondContact O-N 2.98Å; S131-D133 PolarHBondContact OG-OD2 2.98Å |
| 134 | Y | 36.8 | Very low | 42.1 | Very low | 214 Ų | 214 | 114.2 Ų | 114.2 | 84% | 0.839 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -95.1 | 10.5 | 173.9 | -76.9 | -76.8 | 0 | 0 | 0 | 114.8 | S132 V136 | S132-Y134 VanDerWaalsContact C-N 3.28Å; S132-Y134 PolarHBondContact O-N 3.19Å; Y134-V136 PolarHBondContact O-N 2.77Å |
| 135 | F | 35.9 | Very low | 39.8 | Very low | 185 Ų | 185 | 119.1 Ų | 119.1 | 81% | 0.811 | 67% | 0.674 | S | S | * | * | trans | -95.5 | 44 | 168.9 | -75.5 | -77.2 | 0 | 0 | 0 | 112.7 | ||||
| 136 | V | 34.7 | Very low | 37.8 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 70% | 0.703 | 71% | 0.709 | S | S | * | * | trans | -142 | 89.6 | 168.6 | -170.2 | 0 | 0 | 0 | 0 | 110 | Y134 | Y134-V136 PolarHBondContact O-N 2.77Š| ||
| 137 | H | 33.3 | Very low | 36.2 | Very low | 162 Ų | 162 | 125.1 Ų | 125.1 | 75% | 0.75 | 72% | 0.715 | S | S | * | * | trans | 142.1 | 120.2 | 162.8 | -89.5 | 53.4 | 0 | 0 | 0 | 107 | ||||
| 138 | N | 33.1 | Very low | 35.1 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 65% | 0.647 | 73% | 0.731 | S | S | * | * | cis | -157.3 | 121.9 | 27.1 | -83.6 | -39.3 | 0 | 0 | 0 | 108.4 | T140 | N138-T140 VanDerWaalsContact C-N 3.3Å; N138-T140 PolarHBondContact O-N 2.81Å; N138-T140 VanDerWaalsContact O-N 3.07Å | ||
| 139 | N | 29.2 | Very low | 34.5 | Very low | 174 Ų | 174 | 130.5 Ų | 130.5 | 93% | 0.93 | 73% | 0.731 | S | S | * | * | trans | -66.9 | 97.2 | 149.9 | -88.5 | -13.3 | 0 | 0 | 0 | 106.9 | ||||
| 140 | T | 31.3 | Very low | 34.2 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 61% | 0.613 | 73% | 0.73 | S | S | * | * | trans | -138.7 | 83.6 | 162.4 | -38.6 | 0 | 0 | 0 | 0 | 108.9 | N138 S142 | N138-T140 VanDerWaalsContact C-N 3.3Å; N138-T140 PolarHBondContact O-N 2.81Å; N138-T140 VanDerWaalsContact O-N 3.07Å; T140-S142 PolarHBondContact O-N 2.96Å; T140-S142 VanDerWaalsContact O-N 3.14Å | ||
| 141 | T | 29.4 | Very low | 33.8 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | trans | -17.3 | 106.4 | 145.8 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 142 | S | 35.2 | Very low | 33.6 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -138.1 | 98.4 | 152.6 | 46.2 | 0 | 0 | 0 | 0 | 108.4 | T140 T144 | T140-S142 PolarHBondContact O-N 2.96Å; T140-S142 VanDerWaalsContact O-N 3.14Å; S142-T144 PolarHBondContact O-N 2.85Å | ||
| 143 | S | 30.8 | Very low | 33.1 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -59.3 | 119.8 | 163.5 | 47.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 144 | T | 33.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -137.8 | 104 | 154.8 | 35.7 | 0 | 0 | 0 | 0 | 108.6 | S142 | S142-T144 PolarHBondContact O-N 2.85Š| ||
| 145 | N | 29.8 | Very low | 32.6 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -74.7 | 120.1 | 167.2 | -65 | -27.4 | 0 | 0 | 0 | 109 | ||||
| 146 | T | 31.9 | Very low | 32.5 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | -156.6 | 96.9 | 156.4 | 49.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 147 | T | 29 | Very low | 32.5 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | 55.1 | 122.1 | 98.7 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 148 | D | 31.8 | Very low | 32.6 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 72.8 | 101.8 | 152.1 | -53.6 | -19.2 | 0 | 0 | 0 | 117.6 | ||||
| 149 | N | 35 | Very low | 32.9 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 174.4 | 117.7 | 104.6 | -80.4 | -41.5 | 0 | 0 | 0 | 109.6 | |||||
| 150 | D | 35.4 | Very low | 33.1 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 37.5 | 112.4 | 133.3 | -55.8 | -19.2 | 0 | 0 | 0 | 118.8 | ||||
| 151 | D | 34.7 | Very low | 33.4 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | 47.8 | 89.4 | 124.3 | -64.8 | -21.1 | 0 | 0 | 0 | 117.6 | |||||
| 152 | D | 36 | Very low | 33.9 | Very low | 165 Ų | 165 | 134 Ų | 134 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | -151.1 | 77.3 | 124.7 | -102.5 | -24.3 | 0 | 0 | 0 | 109.6 | L154 | D152-L154 VanDerWaalsContact C-N 3.27Å; D152-L154 PolarHBondContact O-N 2.86Å | |||
| 153 | N | 30.4 | Very low | 34.1 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | -72.3 | 79 | 170.1 | -102.6 | -32.3 | 0 | 0 | 0 | 109.5 | V155 | N153-V155 HydrophobicContact CB-CG2 4.07Å; N153-V155 PolarHBondContact O-N 3.07Å | ||
| 154 | L | 30.8 | Very low | 34.8 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -74.2 | 81.9 | 156.9 | -81.7 | 169.5 | 0 | 0 | 0 | 108.4 | D152 L156 | D152-L154 VanDerWaalsContact C-N 3.27Å; D152-L154 PolarHBondContact O-N 2.86Å; L154-L156 VanDerWaalsContact C-N 3.25Å; L154-L156 PolarHBondContact O-N 2.81Å | ||
| 155 | V | 33.9 | Very low | 35.6 | Very low | 98 Ų | 98 | 133 Ų | 133 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | trans | -71.1 | 83.6 | 170.9 | -175.8 | 0 | 0 | 0 | 0 | 108 | N153 N157 | N153-V155 HydrophobicContact CB-CG2 4.07Å; N153-V155 PolarHBondContact O-N 3.07Å; V155-N157 VanDerWaalsContact C-N 3.25Å; V155-N157 HydrophobicContact CG1-CB 4.15Å; V155-N157 PolarHBondContact O-N 2.66Å | ||
| 156 | L | 34.2 | Very low | 36.6 | Very low | 157 Ų | 157 | 133 Ų | 133 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -72.9 | 92 | 159.5 | -69.4 | 178.4 | 0 | 0 | 0 | 107.5 | L154 D158 | L154-L156 VanDerWaalsContact C-N 3.25Å; L154-L156 PolarHBondContact O-N 2.81Å; L156-D158 PolarHBondContact O-N 3.28Å | ||
| 157 | N | 33.2 | Very low | 37.9 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 60% | 0.599 | 74% | 0.739 | S | S | * | * | trans | -77.8 | 55.1 | 178.9 | -146.7 | 5.7 | 0 | 0 | 0 | 110.2 | V155 K159 | V155-N157 VanDerWaalsContact C-N 3.25Å; V155-N157 HydrophobicContact CG1-CB 4.15Å; V155-N157 PolarHBondContact O-N 2.66Å; N157-K159 VanDerWaalsContact C-N 3.28Å; N157-K159 PolarHBondContact O-N 3.11Å; N157-K159 VanDerWaalsContact O-N 3.09Å | ||
| 158 | D | 37.4 | Very low | 39.6 | Very low | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | -86.8 | 76.9 | 174.5 | -105.2 | -4 | 0 | 0 | 0 | 109.8 | L156 N160 | L156-D158 PolarHBondContact O-N 3.28Å; D158-N160 PolarHBondContact O-N 3.26Å; D158-N160 VanDerWaalsContact O-N 3.09Å | ||
| 159 | K | 37.6 | Very low | 41.1 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 73% | 0.73 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 95.6 | 161.8 | -69 | 178.4 | 179.8 | 178.1 | 0 | 108.1 | N157 | N157-K159 VanDerWaalsContact C-N 3.28Å; N157-K159 PolarHBondContact O-N 3.11Å; N157-K159 VanDerWaalsContact O-N 3.09Å |
| 160 | N | 35 | Very low | 42.7 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.5 | -4.8 | 147.9 | -78.3 | -10.1 | 0 | 0 | 0 | 114.8 | D158 S162 | D158-N160 PolarHBondContact O-N 3.26Å; D158-N160 VanDerWaalsContact O-N 3.09Å; N160-S162 PolarHBondContact O-N 3.31Å |
| 161 | N | 36.9 | Very low | 44.4 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 63% | 0.631 | 72% | 0.717 | S | S | * | * | trans | -83.6 | 109.9 | 172.2 | -82.4 | -22.7 | 0 | 0 | 0 | 108.8 | S163 | N161-S163 PolarHBondContact O-N 3.26Š| ||
| 162 | S | 39.8 | Very low | 46 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -40.6 | 83.6 | 152.9 | 38.2 | 0 | 0 | 0 | 0 | 108.5 | N160 V164 | N160-S162 PolarHBondContact O-N 3.31Å; S162-V164 VanDerWaalsContact C-N 3.26Å; S162-V164 PolarHBondContact O-N 2.7Å | ||
| 163 | S | 40.1 | Very low | 47.6 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | -72.1 | 95.6 | -177.1 | 47.1 | 0 | 0 | 0 | 0 | 105.1 | N161 S165 | N161-S163 PolarHBondContact O-N 3.26Å; S163-S165 VanDerWaalsContact C-N 3.26Å; S163-S165 PolarHBondContact O-N 2.88Å | ||
| 164 | V | 45.3 | Very low | 49.5 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 78% | 0.782 | 69% | 0.694 | S | S | * | * | trans | -45.5 | 103.1 | 163.4 | 178.3 | 0 | 0 | 0 | 0 | 104.7 | S162 L166 | S162-V164 VanDerWaalsContact C-N 3.26Å; S162-V164 PolarHBondContact O-N 2.7Å; V164-L166 VanDerWaalsContact C-N 3.32Å; V164-L166 PolarHBondContact O-N 2.83Å | ||
| 165 | S | 49.9 | Very low | 51.4 | Low | 94 Ų | 94 | 128.7 Ų | 128.7 | 66% | 0.657 | 68% | 0.681 | S | S | * | * | trans | -62 | 103.5 | -177.6 | -60.1 | 0 | 0 | 0 | 0 | 105.2 | S163 N167 | S163-S165 VanDerWaalsContact C-N 3.26Å; S163-S165 PolarHBondContact O-N 2.88Å; S165-N167 VanDerWaalsContact C-N 3.25Å; S165-N167 PolarHBondContact O-N 2.86Å | ||
| 166 | L | 51.2 | Low | 53 | Low | 161 Ų | 161 | 132.8 Ų | 132.8 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | trans | -59.4 | 98.7 | 172.7 | -85.6 | 160.1 | 0 | 0 | 0 | 105.2 | V164 K168 | V164-L166 VanDerWaalsContact C-N 3.32Å; V164-L166 PolarHBondContact O-N 2.83Å; L166-K168 VanDerWaalsContact C-N 3.3Å; L166-K168 PolarHBondContact O-N 2.71Å | ||
| 167 | N | 58.4 | Low | 54.7 | Low | 130 Ų | 130 | 130.9 Ų | 130.9 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | trans | -55.5 | 101.5 | 173.1 | -79.1 | -30.1 | 0 | 0 | 0 | 106.3 | S165 I169 | S165-N167 VanDerWaalsContact C-N 3.25Å; S165-N167 PolarHBondContact O-N 2.86Å; N167-I169 PolarHBondContact O-N 2.85Å | ||
| 168 | K | 65.8 | Low | 56.7 | Low | 152 Ų | 152 | 129.6 Ų | 129.6 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | trans | -55.6 | 124.9 | 175.2 | -86.1 | 177.4 | 174.1 | 178.3 | 0 | 107 | L166 Y170 | L166-K168 VanDerWaalsContact C-N 3.3Å; L166-K168 PolarHBondContact O-N 2.71Å; K168-Y170 HydrophobicContact CB-CD2 4.13Å; K168-Y170 HydrophobicContact CB-CE1 4.06Å; K168-Y170 HydrophobicContact CB-CE2 3.47Å; K168-Y170 VanDerWaalsContact CB-CE2 3.47Å; K168-Y170 VanDerWaalsContact CB-CZ 3.43Å; K168-Y170 HydrophobicContact CD-CE1 4.31Å; K168-Y170 VanDerWaalsContact CD-OH 3.22Å; K168-Y170 WeakPolarHBondContact CD-OH 3.42Å; K168-Y170 WeakPolarHBondContact O-CD2 3.47Å; K168-Y170 WeakPolarHBondContact O-CE2 3.35Å; K168-Y170 PolarHBondContact O-N 2.85Å | ||
| 169 | I | 61.4 | Low | 58.7 | Low | 110 Ų | 110 | 129.9 Ų | 129.9 | 56% | 0.564 | 67% | 0.67 | S | S | * | * | trans | -75.7 | 106.7 | 176.9 | -61.6 | 161.1 | 0 | 0 | 0 | 105.9 | N167 D174 L175 | N167-I169 PolarHBondContact O-N 2.85Å; I169-D174 HydrophobicContact CG2-CB 4.04Å; I169-L175 HydrophobicContact CD1-CD2 3.96Å; I169-L175 HydrophobicContact CG2-CD2 3.9Å; I169-L175 HydrophobicContact CG2-CG 4.03Å | ||
| 170 | Y | 70.4 | Confident | 60.8 | Low | 172 Ų | 172 | 129.2 Ų | 129.2 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | trans | -100.6 | -28.5 | -178.2 | -67.4 | -74.8 | 0 | 0 | 0 | 112.1 | K168 D174 | K168-Y170 HydrophobicContact CB-CD2 4.13Å; K168-Y170 HydrophobicContact CB-CE1 4.06Å; K168-Y170 HydrophobicContact CB-CE2 3.47Å; K168-Y170 VanDerWaalsContact CB-CE2 3.47Å; K168-Y170 VanDerWaalsContact CB-CZ 3.43Å; K168-Y170 HydrophobicContact CD-CE1 4.31Å; K168-Y170 VanDerWaalsContact CD-OH 3.22Å; K168-Y170 WeakPolarHBondContact CD-OH 3.42Å; K168-Y170 WeakPolarHBondContact O-CD2 3.47Å; K168-Y170 WeakPolarHBondContact O-CE2 3.35Å; K168-Y170 PolarHBondContact O-N 2.85Å; Y170-D174 PolarHBondContact N-OD2 2.79Å | ||
| 171 | Q | 70.1 | Confident | 63.2 | Low | 126 Ų | 126 | 125.6 Ų | 125.6 | 59% | 0.589 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -126.3 | 153.4 | -178.1 | -64.6 | -63.5 | -24.3 | 0 | 0 | 111.3 | T173 D174 | Q171-T173 WeakPolarHBondContact CB-OG1 3.37Å; Q171-T173 PolarHBondContact O-N 3.09Å; Q171-T173 VanDerWaalsContact O-N 3.1Å; Q171-D174 PolarHBondContact N-OD2 2.92Å; Q171-D174 VanDerWaalsContact O-CB 3.29Å; Q171-D174 WeakPolarHBondContact O-CB 3.33Å; Q171-D174 PolarHBondContact O-N 3.38Å |
| 172 | K | 68.9 | Low | 65.5 | Low | 187 Ų | 187 | 125.6 Ų | 125.6 | 81% | 0.813 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -55.7 | -28.3 | 174 | -176 | 179.3 | 176.7 | -177.2 | 0 | 112.1 | D174 L175 | K172-D174 VanDerWaalsContact C-N 3.27Å; K172-D174 PolarHBondContact O-N 2.93Å; K172-L175 WeakPolarHBondContact O-CB 3.39Å; K172-L175 PolarHBondContact O-N 2.91Å |
| 173 | T | 70 | Confident | 67.6 | Low | 121 Ų | 121 | 123 Ų | 123 | 74% | 0.742 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -72.8 | -15.5 | 176.2 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | Q171 L175 | Q171-T173 WeakPolarHBondContact CB-OG1 3.37Å; Q171-T173 PolarHBondContact O-N 3.09Å; Q171-T173 VanDerWaalsContact O-N 3.1Å; T173-L175 VanDerWaalsContact C-N 3.31Å |
| 174 | D | 69 | Low | 69.7 | Low | 62 Ų | 62 | 125.1 Ų | 125.1 | 33% | 0.332 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -81.1 | -16.8 | 177.6 | -57.2 | -20.7 | 0 | 0 | 0 | 111.8 | I169 Y170 Q171 K172 R176 | I169-D174 HydrophobicContact CG2-CB 4.04Å; Y170-D174 PolarHBondContact N-OD2 2.79Å; Q171-D174 PolarHBondContact N-OD2 2.92Å; Q171-D174 VanDerWaalsContact O-CB 3.29Å; Q171-D174 WeakPolarHBondContact O-CB 3.33Å; Q171-D174 PolarHBondContact O-N 3.38Å; K172-D174 VanDerWaalsContact C-N 3.27Å; K172-D174 PolarHBondContact O-N 2.93Å; D174-R176 PolarHBondContact O-N 3.11Å |
| 175 | L | 70 | Confident | 71.4 | Confident | 108 Ų | 108 | 122.4 Ų | 122.4 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | trans | -67.6 | 98.1 | 173.2 | -69 | 170.8 | 0 | 0 | 0 | 109.3 | I169 K172 T173 | I169-L175 HydrophobicContact CD1-CD2 3.96Å; I169-L175 HydrophobicContact CG2-CD2 3.9Å; I169-L175 HydrophobicContact CG2-CG 4.03Å; K172-L175 WeakPolarHBondContact O-CB 3.39Å; K172-L175 PolarHBondContact O-N 2.91Å; T173-L175 VanDerWaalsContact C-N 3.31Å | ||
| 176 | R | 68.4 | Low | 73 | Confident | 183 Ų | 183 | 121.7 Ų | 121.7 | 69% | 0.691 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -93 | 116.9 | 168 | -66.2 | -172.4 | 179.2 | 97.7 | -0.5 | 108.8 | D174 | D174-R176 PolarHBondContact O-N 3.11Š|
| 177 | V | 70.4 | Confident | 74.8 | Confident | 117 Ų | 117 | 116.5 Ų | 116.5 | 71% | 0.709 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 129.9 | 170.5 | -172.6 | 0 | 0 | 0 | 0 | 107.1 | Y179 | V177-Y179 PolarHBondContact O-N 3.15Š|
| 178 | P | 75.3 | Confident | 76.4 | Confident | 85 Ų | 85 | 111.8 Ų | 111.8 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 129.2 | 172.3 | -20.2 | 30.2 | 0 | 0 | 0 | 109.5 | V124 | V124-P178 HydrophobicContact CG1-CB 3.77Š|
| 179 | Y | 79.8 | Confident | 77.8 | Confident | 138 Ų | 138 | 106.4 Ų | 106.4 | 54% | 0.541 | 53% | 0.526 | S | S | . | . | trans | -108.6 | 152.4 | 169.6 | 71 | -89.3 | 0 | 0 | 0 | 109.4 | A125 V177 E181 | A125-Y179 HydrophobicContact CB-CD1 4.37Å; A125-Y179 HydrophobicContact CB-CD2 3.94Å; A125-Y179 HydrophobicContact CB-CE1 3.89Å; A125-Y179 HydrophobicContact CB-CE2 3.39Å; A125-Y179 HydrophobicContact CB-CG 4.38Å; A125-Y179 PolarHBondContact N-O 3.2Å; V177-Y179 PolarHBondContact O-N 3.15Å; Y179-E181 HydrophobicContact CE2-CB 4.4Å | ||
| 180 | Y | 81.5 | Confident | 79.5 | Confident | 155 Ų | 155 | 103.5 Ų | 103.5 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.4 | 173.3 | -73.3 | -87.2 | 0 | 0 | 0 | 108.9 | R122 R123 V124 | R122-Y180 HydrophobicContact CB-CD1 4.06Å; R123-Y180 VanDerWaalsContact O-CA 3.31Å; R123-Y180 WeakPolarHBondContact O-CA 3.04Å; V124-Y180 HydrophobicContact CG2-CD1 4.11Å; V124-Y180 HydrophobicContact CG2-CE1 3.51Å |
| 181 | E | 84.4 | Confident | 80.7 | Confident | 79 Ų | 79 | 98.2 Ų | 98.2 | 37% | 0.369 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 141.7 | 164.8 | 64.5 | -168.8 | 174.6 | 0 | 0 | 109 | R122 R123 A125 Y179 I183 | R122-E181 WeakPolarHBondContact CA-O 3.5Å; R123-E181 PolarHBondContact N-O 2.87Å; R123-E181 PolarHBondContact O-N 2.91Å; A125-E181 HydrophobicContact CB-CB 4.4Å; A125-E181 HydrophobicContact CB-CG 4.14Å; Y179-E181 HydrophobicContact CE2-CB 4.4Å; E181-I183 HydrophobicContact CG-CG2 4.26Å |
| 182 | D | 85.7 | Confident | 82 | Confident | 119 Ų | 119 | 96.5 Ų | 96.5 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 132.8 | 171.2 | -64.8 | -41.9 | 0 | 0 | 0 | 107.9 | C121 R122 | C121-D182 WeakPolarHBondContact O-CA 3.22Å; R122-D182 WeakPolarHBondContact CG-OD1 3.31Å; R122-D182 IonicContact CZ-OD1 3.57Å; R122-D182 IonicContact NE-OD1 2.81Å; R122-D182 PolarHBondContact NE-OD1 3.05Å; R122-D182 IonicContact NH2-OD1 3.46Å; R122-D182 PolarHBondContact NH2-OD1 3.06Å |
| 183 | I | 84.7 | Confident | 83.4 | Confident | 56 Ų | 56 | 89.3 Ų | 89.3 | 29% | 0.287 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 162.5 | 176.9 | 57.3 | 160.1 | 0 | 0 | 0 | 109 | C121 R123 E181 V186 | C121-I183 PolarHBondContact O-N 2.95Å; R123-I183 HydrophobicContact CB-CD1 4.1Å; R123-I183 HydrophobicContact CB-CG1 4.48Å; R123-I183 HydrophobicContact CB-CG2 4.04Å; E181-I183 HydrophobicContact CG-CG2 4.26Å; I183-V186 HydrophobicContact CD1-CG2 4.21Å |
| 184 | D | 83 | Confident | 84.8 | Confident | 143 Ų | 143 | 87.5 Ų | 87.5 | 77% | 0.765 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 136.1 | 167.9 | -67.3 | -32.9 | 0 | 0 | 0 | 109.4 | V186 | D184-V186 PolarHBondContact O-N 2.85Å; D184-V186 VanDerWaalsContact O-N 3.11Å |
| 185 | P | 80.4 | Confident | 86.2 | Confident | 73 Ų | 73 | 84.6 Ų | 84.6 | 47% | 0.474 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 119.9 | -174.4 | -20.4 | 29.9 | 0 | 0 | 0 | 111.6 | E119 | E119-P185 HydrophobicContact CG-CB 3.61Å; E119-P185 WeakPolarHBondContact OE1-CB 3.47Å |
| 186 | V | 85.2 | Confident | 87.4 | Confident | 78 Ų | 78 | 80.8 Ų | 80.8 | 47% | 0.473 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.1 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | R120 I183 D184 | R120-V186 PolarHBondContact N-O 3.02Å; R120-V186 PolarHBondContact O-N 3.01Å; I183-V186 HydrophobicContact CD1-CG2 4.21Å; D184-V186 PolarHBondContact O-N 2.85Å; D184-V186 VanDerWaalsContact O-N 3.11Å |
| 187 | M | 88.5 | Confident | 88.5 | Confident | 52 Ų | 52 | 80 Ų | 80 | 26% | 0.256 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 136.8 | 175.2 | -67.6 | -51.9 | -54.8 | 0 | 0 | 111.6 | Y67 C68 I117 T118 E119 | Y67-M187 HydrophobicContact CD1-CE 3.93Å; Y67-M187 HydrophobicContact CD2-SD 4.25Å; Y67-M187 HydrophobicContact CE1-CE 3.22Å; Y67-M187 HydrophobicContact CE1-SD 4Å; Y67-M187 HydrophobicContact CE2-CE 3.95Å; Y67-M187 HydrophobicContact CE2-SD 3.54Å; Y67-M187 VanDerWaalsContact CE2-SD 3.54Å; Y67-M187 WeakPolarHBondContact OH-CE 3.39Å; Y67-M187 PolarHBondContact OH-SD 3.16Å; C68-M187 HydrophobicContact CB-CB 4.28Å; C68-M187 HydrophobicContact CB-CG 4.38Å; I117-M187 HydrophobicContact CG2-CE 3.46Å; I117-M187 VanDerWaalsContact CG2-CE 3.46Å; T118-M187 WeakPolarHBondContact O-CE 3.39Å; E119-M187 HydrophobicContact CB-CE 4.35Å; E119-M187 HydrophobicContact CB-SD 3.64Å; E119-M187 HydrophobicContact CG-SD 3.73Å |
| 188 | D | 91.2 | Very high | 89.7 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 17% | 0.171 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 119 | 175.9 | 174.7 | 37.7 | 0 | 0 | 0 | 109.7 | T118 R120 H190 | T118-D188 PolarHBondContact N-O 3.09Å; T118-D188 PolarHBondContact O-N 2.73Å; T118-D188 PolarHBondContact OG1-O 3.2Å; R120-D188 IonicContact CZ-OD2 3.03Å; R120-D188 IonicContact NE-OD2 3.46Å; R120-D188 PolarHBondContact NE-OD2 2.92Å; R120-D188 IonicContact NH2-OD1 3.39Å; R120-D188 PolarHBondContact NH2-OD1 3.28Å; R120-D188 IonicContact NH2-OD2 2.69Å; R120-D188 PolarHBondContact NH2-OD2 3.25Å; D188-H190 IonicContact OD1-ND1 3.42Å; D188-H190 PolarHBondContact OD1-ND1 2.96Å; D188-H190 IonicContact OD2-CE1 2.7Å; D188-H190 PolarHBondContact OD2-CE1 3.33Å; D188-H190 IonicContact OD2-ND1 3.75Å; D188-H190 PolarHBondContact OD2-ND1 3.07Å |
| 189 | T | 96.2 | Very high | 90.7 | Very high | 39 Ų | 39 | 71.8 Ų | 71.8 | 24% | 0.239 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.2 | -179.5 | 59.6 | 0 | 0 | 0 | 0 | 109.3 | C68 F70 R116 I117 | C68-T189 HydrophobicContact CB-CG2 4.31Å; F70-T189 WeakPolarHBondContact CB-OG1 2.99Å; F70-T189 HydrophobicContact CD1-CG2 3.73Å; F70-T189 HydrophobicContact CE1-CG2 4.17Å; F70-T189 HydrophobicContact CG-CG2 4.28Å; R116-T189 WeakPolarHBondContact O-CA 3.41Å; I117-T189 HydrophobicContact CB-CG2 4.39Å; I117-T189 HydrophobicContact CG1-CG2 4.03Å; I117-T189 HydrophobicContact CG2-CG2 4.06Å |
| 190 | H | 95.8 | Very high | 91.4 | Very high | 48 Ų | 48 | 68.7 Ų | 68.7 | 22% | 0.222 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 149.6 | 175.7 | 48 | -81.1 | 0 | 0 | 0 | 111.6 | R116 D188 K192 | R116-H190 VanDerWaalsContact CZ-NE2 3.27Å; R116-H190 PolarHBondContact N-O 2.74Å; R116-H190 PolarHBondContact NE-CE1 3.16Å; R116-H190 PolarHBondContact NE-NE2 2.7Å; R116-H190 PolarHBondContact NH2-CE1 3.24Å; R116-H190 PolarHBondContact NH2-NE2 2.95Å; R116-H190 PolarHBondContact O-N 2.99Å; R116-H190 VanDerWaalsContact O-N 3.16Å; D188-H190 IonicContact OD1-ND1 3.42Å; D188-H190 PolarHBondContact OD1-ND1 2.96Å; D188-H190 IonicContact OD2-CE1 2.7Å; D188-H190 PolarHBondContact OD2-CE1 3.33Å; D188-H190 IonicContact OD2-ND1 3.75Å; D188-H190 PolarHBondContact OD2-ND1 3.07Å; H190-K192 PolarHBondContact O-N 3Å; H190-K192 VanDerWaalsContact O-N 3.13Å |
| 191 | P | 97.3 | Very high | 92.1 | Very high | 62 Ų | 62 | 64.8 Ų | 64.8 | 40% | 0.403 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 112.2 | 175.9 | 29.4 | -31.2 | 0 | 0 | 0 | 107.8 | W115 | W115-P191 HydrophobicContact CD2-CB 4.44Å; W115-P191 HydrophobicContact CE3-CB 4.34Å; W115-P191 HydrophobicContact CH2-CB 3.97Å; W115-P191 HydrophobicContact CH2-CG 4.03Å; W115-P191 HydrophobicContact CZ2-CB 4.02Å; W115-P191 HydrophobicContact CZ3-CB 4.15Å; W115-P191 HydrophobicContact CZ3-CG 4.2Å; W115-P191 VanDerWaalsContact CZ3-N 3.35Å |
| 192 | K | 97.1 | Very high | 92.7 | Very high | 89 Ų | 89 | 65 Ų | 65 | 39% | 0.387 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | -39.8 | 175.8 | -172.1 | -175.2 | -175.7 | -162.5 | 0 | 110.4 | F103 L114 R116 H190 | F103-K192 HydrophobicContact CD1-CD 4.4Å; F103-K192 HydrophobicContact CE1-CD 3.91Å; L114-K192 HydrophobicContact CD2-CD 4.14Å; L114-K192 HydrophobicContact CG-CB 4.43Å; L114-K192 WeakPolarHBondContact O-CA 3.47Å; L114-K192 WeakPolarHBondContact O-CB 3.49Å; L114-K192 PolarHBondContact O-N 3.21Å; R116-K192 HydrophobicContact CB-CB 4.41Å; H190-K192 PolarHBondContact O-N 3Å; H190-K192 VanDerWaalsContact O-N 3.13Å |
| 193 | R | 98.2 | Very high | 93.3 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 155 | -179.2 | -63.9 | -179.1 | -167.2 | 111.3 | 13.1 | 111.5 | K113 L114 F195 L228 E229 T231 | K113-R193 CarbonylContact C-O 3.52Å; K113-R193 WeakPolarHBondContact CA-O 3.37Å; L114-R193 HydrophobicContact CB-CB 4.12Å; L114-R193 PolarHBondContact N-O 2.75Å; L114-R193 PolarHBondContact O-N 3.38Å; R193-F195 HydrophobicContact CB-CE2 3.9Å; R193-F195 HydrophobicContact CB-CZ 3.99Å; R193-L228 WeakPolarHBondContact CD-O 3.39Å; R193-L228 VanDerWaalsContact CZ-O 3.3Å; R193-L228 PolarHBondContact NE-O 3.5Å; R193-L228 PolarHBondContact NH1-O 2.84Å; R193-E229 IonicContact CZ-OE1 3.17Å; R193-E229 IonicContact CZ-OE2 2.96Å; R193-E229 IonicContact NE-OE2 2.76Å; R193-E229 IonicContact NH1-OE1 3.77Å; R193-E229 PolarHBondContact NH1-OE1 2.98Å; R193-E229 IonicContact NH1-OE2 3.34Å; R193-E229 IonicContact NH2-OE1 3.86Å; R193-E229 PolarHBondContact NH2-OE1 2.83Å; R193-E229 IonicContact NH2-OE2 3.21Å; R193-E229 PolarHBondContact NH2-OE2 3.27Å; R193-T231 HydrophobicContact CB-CG2 3.71Å; R193-T231 HydrophobicContact CG-CG2 4.04Å |
| 194 | I | 98.4 | Very high | 93.9 | Very high | 83 Ų | 83 | 58 Ų | 58 | 43% | 0.426 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 122.7 | 178.4 | -53.1 | -177.8 | 0 | 0 | 0 | 106.9 | T111 I112 K113 T231 | T111-I194 HydrophobicContact CG2-CG2 3.48Å; T111-I194 VanDerWaalsContact CG2-CG2 3.48Å; I112-I194 CarbonylContact O-C 3.56Å; I112-I194 WeakPolarHBondContact O-CA 3.35Å; K113-I194 HydrophobicContact CG-CG1 4.19Å; K113-I194 HydrophobicContact CG-CG2 4.29Å; I194-T231 VanDerWaalsContact O-CB 3.24Å; I194-T231 WeakPolarHBondContact O-CB 3.49Å; I194-T231 WeakPolarHBondContact O-CG2 3.32Å |
| 195 | F | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.1 | 177 | -46.6 | -100.6 | 0 | 0 | 0 | 107.6 | L105 I112 L114 R193 F215 W226 N227 I230 T231 | L105-F195 HydrophobicContact CD2-CE2 4.09Å; I112-F195 HydrophobicContact CB-CB 4.21Å; I112-F195 HydrophobicContact CB-CD2 4.38Å; I112-F195 HydrophobicContact CG2-CD2 4.21Å; I112-F195 PolarHBondContact N-O 2.83Å; I112-F195 PolarHBondContact O-N 2.94Å; L114-F195 HydrophobicContact CB-CE2 3.99Å; R193-F195 HydrophobicContact CB-CE2 3.9Å; R193-F195 HydrophobicContact CB-CZ 3.99Å; F195-F215 HydrophobicContact CD1-CE1 4.17Å; F195-F215 AromaticContact CD1-CZ 3.98Å; F195-F215 HydrophobicContact CD1-CZ 3.98Å; F195-F215 HydrophobicContact CD2-CE1 4.35Å; F195-F215 AromaticContact CD2-CZ 3.91Å; F195-F215 HydrophobicContact CD2-CZ 3.91Å; F195-F215 AromaticContact CE1-CE1 3.84Å; F195-F215 HydrophobicContact CE1-CE1 3.84Å; F195-F215 HydrophobicContact CE1-CZ 4.12Å; F195-F215 HydrophobicContact CE2-CE1 4.04Å; F195-F215 HydrophobicContact CE2-CZ 4.05Å; F195-F215 HydrophobicContact CG-CE1 4.43Å; F195-F215 AromaticContact CG-CZ 3.89Å; F195-F215 HydrophobicContact CG-CZ 3.89Å; F195-F215 AromaticContact CZ-CE1 3.78Å; F195-F215 HydrophobicContact CZ-CE1 3.78Å; F195-F215 HydrophobicContact CZ-CZ 4.16Å; F195-W226 HydrophobicContact CB-CD2 4.39Å; F195-W226 HydrophobicContact CB-CE3 4.02Å; F195-W226 HydrophobicContact CB-CH2 4.03Å; F195-W226 HydrophobicContact CB-CZ2 4.38Å; F195-W226 HydrophobicContact CB-CZ3 3.85Å; F195-W226 HydrophobicContact CD1-CD2 4.3Å; F195-W226 AromaticContact CD1-CE3 3.7Å; F195-W226 HydrophobicContact CD1-CE3 3.7Å; F195-W226 HydrophobicContact CD1-CZ3 4.16Å; F195-W226 HydrophobicContact CG-CE3 4.29Å; F195-N227 WeakPolarHBondContact CE1-O 3.39Å; F195-I230 WeakPolarHBondContact CD1-O 3.42Å; F195-I230 WeakPolarHBondContact CE1-O 3.29Å; F195-T231 HydrophobicContact CD1-CG2 4.09Å; F195-T231 HydrophobicContact CE1-CG2 3.95Å; F195-T231 HydrophobicContact CZ-CG2 4.33Å |
| 196 | A | 95.2 | Very high | 95.6 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | trans | -145.4 | 177.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T111 A198 | T111-A196 HydrophobicContact CG2-CB 4.31Å; A196-A198 VanDerWaalsContact C-N 3.31Å; A196-A198 PolarHBondContact O-N 3.29Å | ||
| 197 | N | 91.6 | Very high | 96.2 | Very high | 166 Ų | 166 | 44.8 Ų | 44.8 | 89% | 0.888 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 62.3 | 26.7 | 171.4 | -56.2 | -42.2 | 0 | 0 | 0 | 116 | ||
| 198 | A | 94.9 | Very high | 96.7 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | trans | -112.1 | -19.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A196 N224 W226 S234 | A196-A198 VanDerWaalsContact C-N 3.31Å; A196-A198 PolarHBondContact O-N 3.29Å; A198-N224 PolarHBondContact O-ND2 2.9Å; A198-W226 HydrophobicContact CB-CH2 3.5Å; A198-W226 VanDerWaalsContact CB-CH2 3.5Å; A198-W226 HydrophobicContact CB-CZ2 3.31Å; A198-S234 WeakPolarHBondContact CB-OG 3.4Å | ||
| 199 | H | 96.5 | Very high | 97 | Very high | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | trans | -107.5 | 133.1 | -175.4 | -76 | -75.6 | 0 | 0 | 0 | 111.6 | I203 S217 D219 N224 | H199-I203 HydrophobicContact CB-CD1 4.37Å; H199-I203 HydrophobicContact CB-CG1 3.92Å; H199-S217 WeakPolarHBondContact NE2-CB 3.26Å; H199-S217 PolarHBondContact NE2-OG 2.95Å; H199-D219 HydrophobicContact CB-CB 4.4Å; H199-D219 WeakPolarHBondContact CB-OD2 3.46Å; H199-D219 PolarHBondContact CE1-N 3.39Å; H199-D219 IonicContact CE1-OD2 3.46Å; H199-D219 IonicContact CG-OD2 3.42Å; H199-D219 VanDerWaalsContact ND1-CB 3.33Å; H199-D219 WeakPolarHBondContact ND1-CB 3.11Å; H199-D219 IonicContact ND1-OD2 3.36Å; H199-D219 PolarHBondContact ND1-OD2 2.85Å; H199-N224 PolarHBondContact CE1-ND2 3.31Å; H199-N224 PolarHBondContact NE2-ND2 2.88Å | ||
| 200 | T | 94.8 | Very high | 97.1 | Very high | 73 Ų | 73 | 42 Ų | 42 | 45% | 0.448 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -89.6 | -38.3 | 174.8 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | K110 D219 | K110-T200 PolarHBondContact NZ-O 3.06Å; T200-D219 PolarHBondContact N-OD2 3.23Å |
| 201 | Y | 96 | Very high | 97.2 | Very high | 73 Ų | 73 | 42.5 Ų | 42.5 | 29% | 0.286 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -100.6 | -172.5 | 179.2 | -59.6 | -84.1 | 0 | 0 | 0 | 110.6 | K110 D219 D220 L221 | K110-Y201 PolarHBondContact NZ-O 2.95Å; Y201-D219 PolarHBondContact N-OD2 3.09Å; Y201-D220 HydrophobicContact CG-CB 4.22Å; Y201-L221 HydrophobicContact CD2-CB 4.43Å; Y201-L221 HydrophobicContact CD2-CD1 4.05Å; Y201-L221 HydrophobicContact CD2-CG 4.12Å; Y201-L221 HydrophobicContact CE2-CB 4.46Å; Y201-L221 HydrophobicContact CE2-CD1 3.35Å; Y201-L221 HydrophobicContact CE2-CG 3.93Å |
| 202 | L | 97.2 | Very high | 97.1 | Very high | 85 Ų | 85 | 45 Ų | 45 | 45% | 0.445 | 24% | 0.238 | S | C | . | . | trans | -79.7 | 129.5 | -174 | -46.5 | -177.5 | 0 | 0 | 0 | 109.7 | D109 N204 D219 | D109-L202 HydrophobicContact CB-CB 4.37Å; D109-L202 HydrophobicContact CB-CD2 3.8Å; L202-N204 PolarHBondContact O-N 3.18Å; L202-N204 VanDerWaalsContact O-N 3.11Å; L202-D219 VanDerWaalsContact O-CA 3.31Å; L202-D219 WeakPolarHBondContact O-CA 3.16Å; L202-D219 VanDerWaalsContact O-CB 3.3Å; L202-D219 WeakPolarHBondContact O-CB 3.49Å | ||
| 203 | I | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | trans | -66.5 | 114.1 | 176.2 | -61.9 | 166.6 | 0 | 0 | 0 | 108.7 | N90 T107 D109 I112 H199 A218 | N90-I203 PolarHBondContact ND2-O 3.13Å; T107-I203 HydrophobicContact CG2-CB 4.45Å; T107-I203 HydrophobicContact CG2-CG2 3.81Å; T107-I203 WeakPolarHBondContact OG1-CD1 3.44Å; D109-I203 WeakPolarHBondContact O-CG1 3.47Å; D109-I203 PolarHBondContact O-N 3.12Å; I112-I203 HydrophobicContact CD1-CD1 4.06Å; I112-I203 HydrophobicContact CG1-CD1 3.86Å; H199-I203 HydrophobicContact CB-CD1 4.37Å; H199-I203 HydrophobicContact CB-CG1 3.92Å; I203-A218 CarbonylContact C-O 3.53Å; I203-A218 WeakPolarHBondContact CA-O 3.45Å | ||
| 204 | N | 98.1 | Very high | 97.1 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | trans | -102.1 | -19.8 | -179 | 63.1 | 45.1 | 0 | 0 | 0 | 113 | K91 L202 A218 D219 I252 | K91-N204 WeakPolarHBondContact CE-O 3.37Å; L202-N204 PolarHBondContact O-N 3.18Å; L202-N204 VanDerWaalsContact O-N 3.11Å; N204-A218 PolarHBondContact N-O 2.84Å; N204-A218 PolarHBondContact OD1-O 3.12Å; N204-D219 VanDerWaalsContact ND2-C 3.26Å; N204-D219 PolarHBondContact ND2-O 3.24Å; N204-I252 PolarHBondContact ND2-O 3.28Å | ||
| 205 | S | 98.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.5 | -175.4 | -55 | 0 | 0 | 0 | 0 | 112.8 | S217 A218 A254 A255 | S205-S217 VanDerWaalsContact O-CA 3.26Å; S205-S217 WeakPolarHBondContact O-CA 3.46Å; S205-A218 PolarHBondContact N-O 3.37Å; S205-A218 PolarHBondContact O-N 2.91Å; S205-A218 VanDerWaalsContact O-N 3.07Å; S205-A254 VanDerWaalsContact OG-CA 3.27Å; S205-A254 WeakPolarHBondContact OG-CA 3.28Å; S205-A255 PolarHBondContact OG-N 3.21Å |
| 206 | L | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.5 | 163.8 | -76.9 | -179.3 | 0 | 0 | 0 | 109.2 | K91 R93 L105 T107 I112 F215 L216 | K91-L206 HydrophobicContact CB-CB 4.17Å; K91-L206 HydrophobicContact CB-CD1 4.22Å; K91-L206 HydrophobicContact CB-CG 4.3Å; R93-L206 HydrophobicContact CG-CB 3.87Å; R93-L206 WeakPolarHBondContact CG-O 3.42Å; R93-L206 PolarHBondContact NE-O 3.4Å; L105-L206 HydrophobicContact CB-CD1 4.21Å; T107-L206 HydrophobicContact CG2-CD1 3.53Å; T107-L206 HydrophobicContact CG2-CG 3.78Å; I112-L206 HydrophobicContact CD1-CD2 3.79Å; I112-L206 HydrophobicContact CG1-CD2 4.04Å; I112-L206 HydrophobicContact CG2-CD1 4.31Å; I112-L206 HydrophobicContact CG2-CD2 4.13Å; L206-F215 HydrophobicContact CD2-CD2 4.33Å; L206-F215 HydrophobicContact CD2-CE2 4.31Å; L206-L216 WeakPolarHBondContact CA-O 3.32Å |
| 207 | S | 98.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 40 Ų | 40 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 125 | 173.1 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | F215 L216 F257 | S207-F215 CarbonylContact O-C 3.51Å; S207-F215 VanDerWaalsContact O-CA 3.3Å; S207-F215 WeakPolarHBondContact O-CA 3.43Å; S207-F215 WeakPolarHBondContact O-CB 3.49Å; S207-L216 PolarHBondContact N-O 2.82Å; S207-L216 VanDerWaalsContact N-O 3.07Å; S207-L216 PolarHBondContact O-N 3.31Å; S207-F257 WeakPolarHBondContact O-CD2 3.26Å; S207-F257 PolarHBondContact OG-N 3.36Å |
| 208 | V | 98.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 14% | 0.139 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 139.5 | 174.2 | -71.5 | 0 | 0 | 0 | 0 | 110.4 | R93 L95 L105 F215 | R93-V208 HydrophobicContact CB-CG1 4.3Å; L95-V208 HydrophobicContact CD1-CG1 4.1Å; L95-V208 HydrophobicContact CG-CG1 4.33Å; L105-V208 HydrophobicContact CD1-CG1 3.85Å; V208-F215 HydrophobicContact CG1-CB 4.42Å |
| 209 | N | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | trans | -84.8 | 154.6 | 178.9 | -158.6 | -10.9 | 0 | 0 | 0 | 111.3 | D211 Q212 T214 F257 C262 | N209-D211 WeakPolarHBondContact CB-OD1 3.32Å; N209-D211 PolarHBondContact ND2-OD2 3.02Å; N209-D211 PolarHBondContact O-N 2.87Å; N209-Q212 PolarHBondContact O-N 2.87Å; N209-T214 WeakPolarHBondContact CB-O 3.39Å; N209-T214 VanDerWaalsContact CB-OG1 3.3Å; N209-T214 WeakPolarHBondContact CB-OG1 3.41Å; N209-T214 PolarHBondContact N-O 3.29Å; N209-T214 PolarHBondContact ND2-OG1 3.25Å; N209-F257 HydrophobicContact CB-CD1 4.5Å; N209-F257 HydrophobicContact CB-CD2 3.68Å; N209-F257 HydrophobicContact CB-CE2 3.64Å; N209-F257 HydrophobicContact CB-CG 4.13Å; N209-F257 HydrophobicContact CB-CZ 4.09Å; N209-C262 PolarHBondContact ND2-O 2.8Å; N209-C262 WeakPolarHBondContact OD1-CA 3.33Å; N209-C262 VanDerWaalsContact OD1-CB 3.3Å; N209-C262 WeakPolarHBondContact OD1-CB 3.02Å; N209-C262 PolarHBondContact OD1-O 3.3Å | ||
| 210 | S | 97.4 | Very high | 97.9 | Very high | 38 Ų | 38 | 32.9 Ų | 32.9 | 27% | 0.266 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -12.2 | 177.4 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | Q212 C262 | S210-Q212 VanDerWaalsContact C-N 3.26Å; S210-Q212 PolarHBondContact O-N 3.32Å; S210-C262 WeakPolarHBondContact OG-CA 3.34Å; S210-C262 WeakPolarHBondContact OG-CB 3.23Å; S210-C262 PolarHBondContact OG-N 3.3Å |
| 211 | D | 97.2 | Very high | 98.1 | Very high | 59 Ų | 59 | 29.5 Ų | 29.5 | 32% | 0.316 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -12.8 | 174.2 | 65.5 | 14.3 | 0 | 0 | 0 | 114 | N209 E213 T214 C262 | N209-D211 WeakPolarHBondContact CB-OD1 3.32Å; N209-D211 PolarHBondContact ND2-OD2 3.02Å; N209-D211 PolarHBondContact O-N 2.87Å; D211-E213 PolarHBondContact O-N 3.32Å; D211-E213 PolarHBondContact OD1-N 2.89Å; D211-T214 PolarHBondContact OD1-N 2.97Å; D211-T214 PolarHBondContact OD1-OG1 2.82Å; D211-T214 PolarHBondContact OD2-OG1 2.99Å; D211-C262 HydrophobicContact CB-CB 4.05Å |
| 212 | Q | 96 | Very high | 98.2 | Very high | 115 Ų | 115 | 29.3 Ų | 29.3 | 54% | 0.537 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 61.1 | 16.2 | -176.4 | -53.2 | 174.3 | 53.2 | 0 | 0 | 114.6 | P96 N209 S210 L228 | P96-Q212 HydrophobicContact CG-CG 4.25Å; N209-Q212 PolarHBondContact O-N 2.87Å; S210-Q212 VanDerWaalsContact C-N 3.26Å; S210-Q212 PolarHBondContact O-N 3.32Å; Q212-L228 WeakPolarHBondContact O-CD1 3.28Å |
| 213 | E | 97.5 | Very high | 98.3 | Very high | 113 Ų | 113 | 25.3 Ų | 25.3 | 53% | 0.528 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -118.9 | -34.1 | -179 | -178.3 | 175.1 | -171.7 | 0 | 0 | 111.1 | D211 N227 L228 | D211-E213 PolarHBondContact O-N 3.32Å; D211-E213 PolarHBondContact OD1-N 2.89Å; E213-N227 WeakPolarHBondContact CG-ND2 3.45Å; E213-N227 PolarHBondContact OE1-ND2 3.23Å; E213-L228 WeakPolarHBondContact O-CB 3.38Å; E213-L228 WeakPolarHBondContact O-CG 3.43Å; E213-L228 PolarHBondContact O-N 3.07Å |
| 214 | T | 98.3 | Very high | 98.3 | Very high | 18 Ų | 18 | 25.5 Ų | 25.5 | 11% | 0.11 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 161.4 | -174.1 | 66.1 | 0 | 0 | 0 | 0 | 113.4 | N209 D211 L225 W226 | N209-T214 WeakPolarHBondContact CB-O 3.39Å; N209-T214 VanDerWaalsContact CB-OG1 3.3Å; N209-T214 WeakPolarHBondContact CB-OG1 3.41Å; N209-T214 PolarHBondContact N-O 3.29Å; N209-T214 PolarHBondContact ND2-OG1 3.25Å; D211-T214 PolarHBondContact OD1-N 2.97Å; D211-T214 PolarHBondContact OD1-OG1 2.82Å; D211-T214 PolarHBondContact OD2-OG1 2.99Å; T214-L225 HydrophobicContact CG2-CD1 4.5Å; T214-W226 CarbonylContact C-O 3.49Å; T214-W226 WeakPolarHBondContact CA-O 3.47Å; T214-W226 WeakPolarHBondContact CB-O 3.46Å |
| 215 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 161.4 | 168.8 | 72.1 | -86.1 | 0 | 0 | 0 | 109.4 | L105 I112 F195 L206 S207 V208 W226 L228 | L105-F215 HydrophobicContact CD1-CB 4.03Å; L105-F215 HydrophobicContact CD1-CD1 4.02Å; L105-F215 HydrophobicContact CD1-CD2 3.88Å; L105-F215 HydrophobicContact CD1-CE1 4.44Å; L105-F215 HydrophobicContact CD1-CE2 4.33Å; L105-F215 HydrophobicContact CD1-CG 3.71Å; L105-F215 HydrophobicContact CD2-CE1 4.42Å; L105-F215 HydrophobicContact CD2-CZ 4.38Å; I112-F215 HydrophobicContact CD1-CE2 4.04Å; I112-F215 HydrophobicContact CG2-CE2 4.13Å; I112-F215 HydrophobicContact CG2-CZ 4.32Å; F195-F215 HydrophobicContact CD1-CE1 4.17Å; F195-F215 AromaticContact CD1-CZ 3.98Å; F195-F215 HydrophobicContact CD1-CZ 3.98Å; F195-F215 HydrophobicContact CD2-CE1 4.35Å; F195-F215 AromaticContact CD2-CZ 3.91Å; F195-F215 HydrophobicContact CD2-CZ 3.91Å; F195-F215 AromaticContact CE1-CE1 3.84Å; F195-F215 HydrophobicContact CE1-CE1 3.84Å; F195-F215 HydrophobicContact CE1-CZ 4.12Å; F195-F215 HydrophobicContact CE2-CE1 4.04Å; F195-F215 HydrophobicContact CE2-CZ 4.05Å; F195-F215 HydrophobicContact CG-CE1 4.43Å; F195-F215 AromaticContact CG-CZ 3.89Å; F195-F215 HydrophobicContact CG-CZ 3.89Å; F195-F215 AromaticContact CZ-CE1 3.78Å; F195-F215 HydrophobicContact CZ-CE1 3.78Å; F195-F215 HydrophobicContact CZ-CZ 4.16Å; L206-F215 HydrophobicContact CD2-CD2 4.33Å; L206-F215 HydrophobicContact CD2-CE2 4.31Å; S207-F215 CarbonylContact O-C 3.51Å; S207-F215 VanDerWaalsContact O-CA 3.3Å; S207-F215 WeakPolarHBondContact O-CA 3.43Å; S207-F215 WeakPolarHBondContact O-CB 3.49Å; V208-F215 HydrophobicContact CG1-CB 4.42Å; F215-W226 HydrophobicContact CD1-CB 3.7Å; F215-W226 HydrophobicContact CD2-CB 4.18Å; F215-W226 AromaticContact CD2-CD1 4Å; F215-W226 HydrophobicContact CD2-CG 4.35Å; F215-W226 HydrophobicContact CE1-CB 3.28Å; F215-W226 AromaticContact CE1-CG 3.97Å; F215-W226 HydrophobicContact CE1-CG 3.97Å; F215-W226 HydrophobicContact CE2-CB 3.78Å; F215-W226 AromaticContact CE2-CD1 3.44Å; F215-W226 VanDerWaalsContact CE2-CD1 3.44Å; F215-W226 AromaticContact CE2-CG 3.66Å; F215-W226 HydrophobicContact CE2-CG 3.66Å; F215-W226 HydrophobicContact CG-CB 4.14Å; F215-W226 HydrophobicContact CZ-CB 3.32Å; F215-W226 AromaticContact CZ-CD1 3.75Å; F215-W226 HydrophobicContact CZ-CD2 4.13Å; F215-W226 AromaticContact CZ-CG 3.46Å; F215-W226 HydrophobicContact CZ-CG 3.46Å; F215-W226 VanDerWaalsContact CZ-CG 3.46Å; F215-W226 PolarHBondContact N-O 3.15Å; F215-W226 PolarHBondContact O-N 3.28Å; F215-L228 HydrophobicContact CD1-CD2 3.56Å; F215-L228 HydrophobicContact CD1-CG 4.11Å; F215-L228 HydrophobicContact CE1-CD2 4Å |
| 216 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 152.8 | 174.5 | 67.7 | 78 | 0 | 0 | 0 | 110.5 | L206 S207 I223 N224 A255 F257 F265 | L206-L216 WeakPolarHBondContact CA-O 3.32Å; S207-L216 PolarHBondContact N-O 2.82Å; S207-L216 VanDerWaalsContact N-O 3.07Å; S207-L216 PolarHBondContact O-N 3.31Å; L216-I223 HydrophobicContact CB-CG2 4.13Å; L216-I223 HydrophobicContact CD1-CG2 4.35Å; L216-I223 HydrophobicContact CD2-CG2 4.4Å; L216-N224 CarbonylContact C-O 3.58Å; L216-N224 WeakPolarHBondContact CA-O 3.47Å; L216-A255 HydrophobicContact CD1-CB 3.91Å; L216-F257 HydrophobicContact CB-CD2 4.36Å; L216-F257 HydrophobicContact CB-CE2 3.61Å; L216-F257 HydrophobicContact CB-CZ 3.9Å; L216-F257 HydrophobicContact CD2-CD1 4.06Å; L216-F257 HydrophobicContact CD2-CD2 3.67Å; L216-F257 HydrophobicContact CD2-CE1 3.94Å; L216-F257 HydrophobicContact CD2-CE2 3.59Å; L216-F257 HydrophobicContact CD2-CG 3.9Å; L216-F257 HydrophobicContact CD2-CZ 3.71Å; L216-F257 HydrophobicContact CG-CD2 3.79Å; L216-F257 HydrophobicContact CG-CE2 3.56Å; L216-F257 HydrophobicContact CG-CZ 4.07Å; L216-F265 HydrophobicContact CD2-CB 4.01Å; L216-F265 HydrophobicContact CD2-CD2 4.35Å; L216-F265 HydrophobicContact CD2-CG 4.25Å |
| 217 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145.1 | 164.7 | 60 | 0 | 0 | 0 | 0 | 109.6 | H199 S205 I223 N224 W226 | H199-S217 WeakPolarHBondContact NE2-CB 3.26Å; H199-S217 PolarHBondContact NE2-OG 2.95Å; S205-S217 VanDerWaalsContact O-CA 3.26Å; S205-S217 WeakPolarHBondContact O-CA 3.46Å; S217-I223 WeakPolarHBondContact O-CA 3.33Å; S217-N224 PolarHBondContact N-O 3.22Å; S217-N224 PolarHBondContact O-N 3.39Å; S217-W226 PolarHBondContact OG-NE1 3.21Å |
| 218 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I203 N204 S205 R222 I223 I252 A255 | I203-A218 CarbonylContact C-O 3.53Å; I203-A218 WeakPolarHBondContact CA-O 3.45Å; N204-A218 PolarHBondContact N-O 2.84Å; N204-A218 PolarHBondContact OD1-O 3.12Å; S205-A218 PolarHBondContact N-O 3.37Å; S205-A218 PolarHBondContact O-N 2.91Å; S205-A218 VanDerWaalsContact O-N 3.07Å; A218-R222 VanDerWaalsContact CA-O 3.27Å; A218-R222 WeakPolarHBondContact CA-O 3.38Å; A218-I223 HydrophobicContact CB-CG1 3.9Å; A218-I252 HydrophobicContact CB-CG2 4.13Å; A218-A255 HydrophobicContact CB-CB 3.77Å |
| 219 | D | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -113.7 | -168.6 | 161 | 69.5 | 24.8 | 0 | 0 | 0 | 109.6 | H199 T200 Y201 L202 N204 L221 R222 I252 | H199-D219 HydrophobicContact CB-CB 4.4Å; H199-D219 WeakPolarHBondContact CB-OD2 3.46Å; H199-D219 PolarHBondContact CE1-N 3.39Å; H199-D219 IonicContact CE1-OD2 3.46Å; H199-D219 IonicContact CG-OD2 3.42Å; H199-D219 VanDerWaalsContact ND1-CB 3.33Å; H199-D219 WeakPolarHBondContact ND1-CB 3.11Å; H199-D219 IonicContact ND1-OD2 3.36Å; H199-D219 PolarHBondContact ND1-OD2 2.85Å; T200-D219 PolarHBondContact N-OD2 3.23Å; Y201-D219 PolarHBondContact N-OD2 3.09Å; L202-D219 VanDerWaalsContact O-CA 3.31Å; L202-D219 WeakPolarHBondContact O-CA 3.16Å; L202-D219 VanDerWaalsContact O-CB 3.3Å; L202-D219 WeakPolarHBondContact O-CB 3.49Å; N204-D219 VanDerWaalsContact ND2-C 3.26Å; N204-D219 PolarHBondContact ND2-O 3.24Å; D219-L221 PolarHBondContact O-N 3.09Å; D219-L221 VanDerWaalsContact O-N 3.14Å; D219-L221 PolarHBondContact OD1-N 3.36Å; D219-R222 PolarHBondContact N-O 3.01Å; D219-R222 PolarHBondContact OD1-N 2.76Å; D219-I252 WeakPolarHBondContact O-CB 3.24Å | ||
| 220 | D | 98.3 | Very high | 98.2 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 25% | 0.251 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -59.1 | -24.6 | -176.6 | -64.5 | -20.8 | 0 | 0 | 0 | 114.5 | Y201 V251 I252 | Y201-D220 HydrophobicContact CG-CB 4.22Å; D220-V251 HydrophobicContact CB-CB 4.03Å; D220-V251 HydrophobicContact CB-CG1 4.07Å; D220-V251 CarbonylContact O-C 3.52Å; D220-V251 WeakPolarHBondContact O-CA 3.39Å; D220-V251 VanDerWaalsContact O-CB 3.3Å; D220-V251 WeakPolarHBondContact O-CB 3.41Å; D220-I252 PolarHBondContact O-N 2.97Å |
| 221 | L | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -127.6 | -15.7 | -175.4 | -58.7 | -178.5 | 0 | 0 | 0 | 113.9 | Y201 D219 L240 K241 M245 L248 V251 | Y201-L221 HydrophobicContact CD2-CB 4.43Å; Y201-L221 HydrophobicContact CD2-CD1 4.05Å; Y201-L221 HydrophobicContact CD2-CG 4.12Å; Y201-L221 HydrophobicContact CE2-CB 4.46Å; Y201-L221 HydrophobicContact CE2-CD1 3.35Å; Y201-L221 HydrophobicContact CE2-CG 3.93Å; D219-L221 PolarHBondContact O-N 3.09Å; D219-L221 VanDerWaalsContact O-N 3.14Å; D219-L221 PolarHBondContact OD1-N 3.36Å; L221-L240 PolarHBondContact O-N 2.82Å; L221-K241 HydrophobicContact CB-CB 4.39Å; L221-K241 HydrophobicContact CD1-CB 4.02Å; L221-K241 HydrophobicContact CD1-CG 3.98Å; L221-M245 HydrophobicContact CD1-CE 3.72Å; L221-M245 HydrophobicContact CD1-SD 4.39Å; L221-L248 HydrophobicContact CD2-CD1 3.44Å; L221-L248 VanDerWaalsContact CD2-CD1 3.44Å; L221-V251 HydrophobicContact CD2-CG1 4.21Å |
| 222 | R | 98.4 | Very high | 98.1 | Very high | 69 Ų | 69 | 39.1 Ų | 39.1 | 26% | 0.26 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 141.2 | -169.2 | -74.2 | -178.7 | 174.6 | -174.5 | -8.5 | 113.1 | A218 D219 N236 V238 D239 | A218-R222 VanDerWaalsContact CA-O 3.27Å; A218-R222 WeakPolarHBondContact CA-O 3.38Å; D219-R222 PolarHBondContact N-O 3.01Å; D219-R222 PolarHBondContact OD1-N 2.76Å; R222-N236 WeakPolarHBondContact CB-ND2 3.47Å; R222-N236 WeakPolarHBondContact CG-ND2 3.18Å; R222-V238 VanDerWaalsContact CA-O 3.3Å; R222-V238 WeakPolarHBondContact CA-O 3.43Å; R222-D239 WeakPolarHBondContact CG-OD1 3.32Å; R222-D239 IonicContact CZ-OD1 3.74Å; R222-D239 IonicContact CZ-OD2 3.06Å; R222-D239 VanDerWaalsContact NE-CG 3.32Å; R222-D239 IonicContact NE-OD1 2.98Å; R222-D239 PolarHBondContact NE-OD1 2.79Å; R222-D239 IonicContact NE-OD2 2.73Å; R222-D239 PolarHBondContact NE-OD2 2.58Å; R222-D239 IonicContact NH2-OD1 3.5Å; R222-D239 IonicContact NH2-OD2 2.79Å; R222-D239 PolarHBondContact NH2-OD2 2.91Å |
| 223 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.1 | 166.5 | -51.2 | -178.5 | 0 | 0 | 0 | 108.3 | L216 S217 A218 N236 I237 V238 I252 A255 F265 Y267 | L216-I223 HydrophobicContact CB-CG2 4.13Å; L216-I223 HydrophobicContact CD1-CG2 4.35Å; L216-I223 HydrophobicContact CD2-CG2 4.4Å; S217-I223 WeakPolarHBondContact O-CA 3.33Å; A218-I223 HydrophobicContact CB-CG1 3.9Å; I223-N236 PolarHBondContact O-ND2 3.02Å; I223-I237 HydrophobicContact CB-CG1 4.12Å; I223-I237 HydrophobicContact CG2-CD1 3.93Å; I223-I237 HydrophobicContact CG2-CG1 3.92Å; I223-I237 WeakPolarHBondContact O-CG1 3.49Å; I223-I237 PolarHBondContact O-N 2.79Å; I223-V238 HydrophobicContact CB-CB 3.93Å; I223-V238 HydrophobicContact CB-CG2 4.2Å; I223-V238 HydrophobicContact CD1-CB 4.15Å; I223-V238 HydrophobicContact CD1-CG2 3.97Å; I223-V238 HydrophobicContact CG1-CB 3.95Å; I223-V238 HydrophobicContact CG1-CG2 4.26Å; I223-V238 PolarHBondContact N-O 2.82Å; I223-V238 PolarHBondContact O-N 2.89Å; I223-I252 HydrophobicContact CD1-CD1 4.26Å; I223-I252 HydrophobicContact CG1-CD1 3.8Å; I223-A255 HydrophobicContact CD1-CB 3.91Å; I223-F265 HydrophobicContact CD1-CD2 4.42Å; I223-F265 HydrophobicContact CD1-CE2 3.85Å; I223-Y267 HydrophobicContact CD1-CD1 3.84Å; I223-Y267 HydrophobicContact CD1-CG 3.81Å |
| 224 | N | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.6 | 179 | -67.5 | -49.2 | 0 | 0 | 0 | 109.9 | A198 H199 L216 S217 F235 N236 | A198-N224 PolarHBondContact O-ND2 2.9Å; H199-N224 PolarHBondContact CE1-ND2 3.31Å; H199-N224 PolarHBondContact NE2-ND2 2.88Å; L216-N224 CarbonylContact C-O 3.58Å; L216-N224 WeakPolarHBondContact CA-O 3.47Å; S217-N224 PolarHBondContact N-O 3.22Å; S217-N224 PolarHBondContact O-N 3.39Å; N224-F235 CarbonylContact C-O 3.55Å; N224-F235 WeakPolarHBondContact CA-O 3.4Å; N224-N236 WeakPolarHBondContact OD1-CA 3.25Å; N224-N236 WeakPolarHBondContact OD1-CB 3.29Å; N224-N236 PolarHBondContact OD1-ND2 2.67Å; N224-N236 VanDerWaalsContact OD1-ND2 3.12Å |
| 225 | L | 98.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 40 Ų | 40 | 18% | 0.178 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.8 | 169.5 | -176.3 | 69.6 | 0 | 0 | 0 | 109.6 | T214 S234 F235 I237 F257 M279 | T214-L225 HydrophobicContact CG2-CD1 4.5Å; L225-S234 WeakPolarHBondContact O-CA 3.25Å; L225-F235 HydrophobicContact CB-CB 4.41Å; L225-F235 PolarHBondContact N-O 3.15Å; L225-F235 PolarHBondContact O-N 3.18Å; L225-I237 HydrophobicContact CB-CD1 4.2Å; L225-I237 HydrophobicContact CB-CG1 4.4Å; L225-I237 HydrophobicContact CB-CG2 3.8Å; L225-I237 HydrophobicContact CD2-CG2 4.39Å; L225-F257 HydrophobicContact CD1-CE2 4.4Å; L225-F257 HydrophobicContact CD1-CZ 3.64Å; L225-M279 HydrophobicContact CD2-SD 4.2Å |
| 226 | W | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 42 Ų | 42 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 146 | 179.7 | -62.3 | 90.9 | 0 | 0 | 0 | 110.6 | F195 A198 T214 F215 S217 S234 | F195-W226 HydrophobicContact CB-CD2 4.39Å; F195-W226 HydrophobicContact CB-CE3 4.02Å; F195-W226 HydrophobicContact CB-CH2 4.03Å; F195-W226 HydrophobicContact CB-CZ2 4.38Å; F195-W226 HydrophobicContact CB-CZ3 3.85Å; F195-W226 HydrophobicContact CD1-CD2 4.3Å; F195-W226 AromaticContact CD1-CE3 3.7Å; F195-W226 HydrophobicContact CD1-CE3 3.7Å; F195-W226 HydrophobicContact CD1-CZ3 4.16Å; F195-W226 HydrophobicContact CG-CE3 4.29Å; A198-W226 HydrophobicContact CB-CH2 3.5Å; A198-W226 VanDerWaalsContact CB-CH2 3.5Å; A198-W226 HydrophobicContact CB-CZ2 3.31Å; T214-W226 CarbonylContact C-O 3.49Å; T214-W226 WeakPolarHBondContact CA-O 3.47Å; T214-W226 WeakPolarHBondContact CB-O 3.46Å; F215-W226 HydrophobicContact CD1-CB 3.7Å; F215-W226 HydrophobicContact CD2-CB 4.18Å; F215-W226 AromaticContact CD2-CD1 4Å; F215-W226 HydrophobicContact CD2-CG 4.35Å; F215-W226 HydrophobicContact CE1-CB 3.28Å; F215-W226 AromaticContact CE1-CG 3.97Å; F215-W226 HydrophobicContact CE1-CG 3.97Å; F215-W226 HydrophobicContact CE2-CB 3.78Å; F215-W226 AromaticContact CE2-CD1 3.44Å; F215-W226 VanDerWaalsContact CE2-CD1 3.44Å; F215-W226 AromaticContact CE2-CG 3.66Å; F215-W226 HydrophobicContact CE2-CG 3.66Å; F215-W226 HydrophobicContact CG-CB 4.14Å; F215-W226 HydrophobicContact CZ-CB 3.32Å; F215-W226 AromaticContact CZ-CD1 3.75Å; F215-W226 HydrophobicContact CZ-CD2 4.13Å; F215-W226 AromaticContact CZ-CG 3.46Å; F215-W226 HydrophobicContact CZ-CG 3.46Å; F215-W226 VanDerWaalsContact CZ-CG 3.46Å; F215-W226 PolarHBondContact N-O 3.15Å; F215-W226 PolarHBondContact O-N 3.28Å; S217-W226 PolarHBondContact OG-NE1 3.21Å; W226-S234 VanDerWaalsContact CD2-CB 3.49Å |
| 227 | N | 98.5 | Very high | 98 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 18% | 0.176 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.2 | 163.2 | -177.5 | -65.9 | 0 | 0 | 0 | 108.4 | F195 E213 E229 I230 | F195-N227 WeakPolarHBondContact CE1-O 3.39Å; E213-N227 WeakPolarHBondContact CG-ND2 3.45Å; E213-N227 PolarHBondContact OE1-ND2 3.23Å; N227-E229 PolarHBondContact O-N 3.28Å; N227-E229 WeakPolarHBondContact OD1-CB 3.49Å; N227-E229 PolarHBondContact OD1-N 2.91Å; N227-I230 HydrophobicContact CB-CB 4.13Å; N227-I230 HydrophobicContact CB-CD1 4.06Å; N227-I230 HydrophobicContact CB-CG1 4.06Å; N227-I230 PolarHBondContact O-N 3.01Å |
| 228 | L | 97.7 | Very high | 97.9 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 7% | 0.073 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -20.6 | -177.7 | -75.7 | 169.9 | 0 | 0 | 0 | 113.8 | L95 L105 R193 Q212 E213 F215 | L95-L228 HydrophobicContact CD2-CD1 3.89Å; L95-L228 HydrophobicContact CD2-CD2 3.94Å; L105-L228 HydrophobicContact CD1-CD2 4.41Å; R193-L228 WeakPolarHBondContact CD-O 3.39Å; R193-L228 VanDerWaalsContact CZ-O 3.3Å; R193-L228 PolarHBondContact NE-O 3.5Å; R193-L228 PolarHBondContact NH1-O 2.84Å; Q212-L228 WeakPolarHBondContact O-CD1 3.28Å; E213-L228 WeakPolarHBondContact O-CB 3.38Å; E213-L228 WeakPolarHBondContact O-CG 3.43Å; E213-L228 PolarHBondContact O-N 3.07Å; F215-L228 HydrophobicContact CD1-CD2 3.56Å; F215-L228 HydrophobicContact CD1-CG 4.11Å; F215-L228 HydrophobicContact CE1-CD2 4Å |
| 229 | E | 97.2 | Very high | 97.9 | Very high | 120 Ų | 120 | 45.9 Ų | 45.9 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -9.6 | -179.7 | -58.8 | -63.5 | 130.6 | 0 | 0 | 113.4 | R193 N227 | R193-E229 IonicContact CZ-OE1 3.17Å; R193-E229 IonicContact CZ-OE2 2.96Å; R193-E229 IonicContact NE-OE2 2.76Å; R193-E229 IonicContact NH1-OE1 3.77Å; R193-E229 PolarHBondContact NH1-OE1 2.98Å; R193-E229 IonicContact NH1-OE2 3.34Å; R193-E229 IonicContact NH2-OE1 3.86Å; R193-E229 PolarHBondContact NH2-OE1 2.83Å; R193-E229 IonicContact NH2-OE2 3.21Å; R193-E229 PolarHBondContact NH2-OE2 3.27Å; N227-E229 PolarHBondContact O-N 3.28Å; N227-E229 WeakPolarHBondContact OD1-CB 3.49Å; N227-E229 PolarHBondContact OD1-N 2.91Å |
| 230 | I | 97.9 | Very high | 97.8 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 30% | 0.303 | 24% | 0.241 | S | C | . | . | trans | -116.5 | 111.5 | -175.1 | -55.9 | 178.3 | 0 | 0 | 0 | 110 | F195 N227 N232 Q233 | F195-I230 WeakPolarHBondContact CD1-O 3.42Å; F195-I230 WeakPolarHBondContact CE1-O 3.29Å; N227-I230 HydrophobicContact CB-CB 4.13Å; N227-I230 HydrophobicContact CB-CD1 4.06Å; N227-I230 HydrophobicContact CB-CG1 4.06Å; N227-I230 PolarHBondContact O-N 3.01Å; I230-N232 WeakPolarHBondContact CG2-OD1 3.49Å; I230-Q233 HydrophobicContact CG2-CG 3.44Å; I230-Q233 VanDerWaalsContact CG2-CG 3.44Å | ||
| 231 | T | 97.6 | Very high | 97.6 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 31% | 0.313 | 25% | 0.247 | S | C | . | . | trans | -97.5 | -19.6 | -173.2 | 53.9 | 0 | 0 | 0 | 0 | 115 | R193 I194 F195 | R193-T231 HydrophobicContact CB-CG2 3.71Å; R193-T231 HydrophobicContact CG-CG2 4.04Å; I194-T231 VanDerWaalsContact O-CB 3.24Å; I194-T231 WeakPolarHBondContact O-CB 3.49Å; I194-T231 WeakPolarHBondContact O-CG2 3.32Å; F195-T231 HydrophobicContact CD1-CG2 4.09Å; F195-T231 HydrophobicContact CE1-CG2 3.95Å; F195-T231 HydrophobicContact CZ-CG2 4.33Å | ||
| 232 | N | 96.3 | Very high | 97.5 | Very high | 137 Ų | 137 | 50.8 Ų | 50.8 | 73% | 0.733 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -102.3 | 2 | -168.3 | 67.8 | -42.8 | 0 | 0 | 0 | 114.3 | I230 | I230-N232 WeakPolarHBondContact CG2-OD1 3.49Š|
| 233 | Q | 96.3 | Very high | 97.4 | Very high | 124 Ų | 124 | 54.9 Ų | 54.9 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | trans | -153.7 | 147.4 | 175.3 | 59.2 | 179.4 | 14.2 | 0 | 0 | 110.2 | I230 | I230-Q233 HydrophobicContact CG2-CG 3.44Å; I230-Q233 VanDerWaalsContact CG2-CG 3.44Å | ||
| 234 | S | 97.1 | Very high | 97.3 | Very high | 41 Ų | 41 | 58.1 Ų | 58.1 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | trans | -128.6 | 162.8 | 169 | 61.9 | 0 | 0 | 0 | 0 | 109.4 | A198 L225 W226 | A198-S234 WeakPolarHBondContact CB-OG 3.4Å; L225-S234 WeakPolarHBondContact O-CA 3.25Å; W226-S234 VanDerWaalsContact CD2-CB 3.49Å | ||
| 235 | F | 97.5 | Very high | 97.1 | Very high | 100 Ų | 100 | 61 Ų | 61 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 114.8 | 172.6 | -175.4 | -125.9 | 0 | 0 | 0 | 109 | N224 L225 I237 A283 L284 | N224-F235 CarbonylContact C-O 3.55Å; N224-F235 WeakPolarHBondContact CA-O 3.4Å; L225-F235 HydrophobicContact CB-CB 4.41Å; L225-F235 PolarHBondContact N-O 3.15Å; L225-F235 PolarHBondContact O-N 3.18Å; F235-I237 HydrophobicContact CD1-CG2 3.33Å; F235-I237 HydrophobicContact CE1-CG2 3.69Å; F235-I237 HydrophobicContact CG-CG2 4.25Å; F235-I237 PolarHBondContact O-N 3.29Å; F235-A283 HydrophobicContact CE1-CB 4.32Å; F235-A283 HydrophobicContact CZ-CB 4.49Å; F235-L284 HydrophobicContact CE1-CD2 4.4Å; F235-L284 HydrophobicContact CE2-CD2 4.04Å; F235-L284 HydrophobicContact CZ-CD2 3.57Å |
| 236 | N | 97.2 | Very high | 96.9 | Very high | 41 Ų | 41 | 67.3 Ų | 67.3 | 22% | 0.219 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 111.2 | 175.3 | -177.8 | -96.8 | 0 | 0 | 0 | 109.3 | R222 I223 N224 V238 D239 | R222-N236 WeakPolarHBondContact CB-ND2 3.47Å; R222-N236 WeakPolarHBondContact CG-ND2 3.18Å; I223-N236 PolarHBondContact O-ND2 3.02Å; N224-N236 WeakPolarHBondContact OD1-CA 3.25Å; N224-N236 WeakPolarHBondContact OD1-CB 3.29Å; N224-N236 PolarHBondContact OD1-ND2 2.67Å; N224-N236 VanDerWaalsContact OD1-ND2 3.12Å; N236-V238 PolarHBondContact ND2-O 2.88Å; N236-V238 VanDerWaalsContact ND2-O 3.11Å; N236-V238 PolarHBondContact OD1-O 2.86Å; N236-D239 WeakPolarHBondContact OD1-CB 3.37Å |
| 237 | I | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -9.3 | -174.3 | 56.7 | 166.6 | 0 | 0 | 0 | 113.1 | I223 L225 F235 F265 M279 L284 C285 | I223-I237 HydrophobicContact CB-CG1 4.12Å; I223-I237 HydrophobicContact CG2-CD1 3.93Å; I223-I237 HydrophobicContact CG2-CG1 3.92Å; I223-I237 WeakPolarHBondContact O-CG1 3.49Å; I223-I237 PolarHBondContact O-N 2.79Å; L225-I237 HydrophobicContact CB-CD1 4.2Å; L225-I237 HydrophobicContact CB-CG1 4.4Å; L225-I237 HydrophobicContact CB-CG2 3.8Å; L225-I237 HydrophobicContact CD2-CG2 4.39Å; F235-I237 HydrophobicContact CD1-CG2 3.33Å; F235-I237 HydrophobicContact CE1-CG2 3.69Å; F235-I237 HydrophobicContact CG-CG2 4.25Å; F235-I237 PolarHBondContact O-N 3.29Å; I237-F265 HydrophobicContact CD1-CD1 4.34Å; I237-F265 HydrophobicContact CD1-CE1 3.71Å; I237-F265 HydrophobicContact CD1-CE2 4.4Å; I237-F265 HydrophobicContact CD1-CZ 3.74Å; I237-F265 HydrophobicContact CG1-CZ 4.4Å; I237-M279 HydrophobicContact CD1-SD 4.33Å; I237-L284 CarbonylContact C-O 3.48Å; I237-L284 CarbonylContact O-C 3.58Å; I237-C285 WeakPolarHBondContact O-CB 3.45Å |
| 238 | V | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 74.3 Ų | 74.3 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 131.6 | 168.8 | 177.3 | 0 | 0 | 0 | 0 | 107.3 | R222 I223 N236 L240 I252 F265 Y267 C285 | R222-V238 VanDerWaalsContact CA-O 3.3Å; R222-V238 WeakPolarHBondContact CA-O 3.43Å; I223-V238 HydrophobicContact CB-CB 3.93Å; I223-V238 HydrophobicContact CB-CG2 4.2Å; I223-V238 HydrophobicContact CD1-CB 4.15Å; I223-V238 HydrophobicContact CD1-CG2 3.97Å; I223-V238 HydrophobicContact CG1-CB 3.95Å; I223-V238 HydrophobicContact CG1-CG2 4.26Å; I223-V238 PolarHBondContact N-O 2.82Å; I223-V238 PolarHBondContact O-N 2.89Å; N236-V238 PolarHBondContact ND2-O 2.88Å; N236-V238 VanDerWaalsContact ND2-O 3.11Å; N236-V238 PolarHBondContact OD1-O 2.86Å; V238-L240 HydrophobicContact CG1-CD2 4.08Å; V238-L240 HydrophobicContact CG1-CG 4.11Å; V238-I252 HydrophobicContact CG1-CD1 4.34Å; V238-F265 HydrophobicContact CG2-CE2 4Å; V238-F265 HydrophobicContact CG2-CZ 3.82Å; V238-Y267 HydrophobicContact CG1-CE1 4.35Å; V238-Y267 HydrophobicContact CG2-CE1 4.26Å; V238-C285 HydrophobicContact CG2-CB 4.05Å |
| 239 | D | 97 | Very high | 96.5 | Very high | 75 Ų | 75 | 77.4 Ų | 77.4 | 40% | 0.401 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 104.5 | 171.6 | -159 | -6.2 | 0 | 0 | 0 | 109.6 | R222 N236 K241 | R222-D239 WeakPolarHBondContact CG-OD1 3.32Å; R222-D239 IonicContact CZ-OD1 3.74Å; R222-D239 IonicContact CZ-OD2 3.06Å; R222-D239 VanDerWaalsContact NE-CG 3.32Å; R222-D239 IonicContact NE-OD1 2.98Å; R222-D239 PolarHBondContact NE-OD1 2.79Å; R222-D239 IonicContact NE-OD2 2.73Å; R222-D239 PolarHBondContact NE-OD2 2.58Å; R222-D239 IonicContact NH2-OD1 3.5Å; R222-D239 IonicContact NH2-OD2 2.79Å; R222-D239 PolarHBondContact NH2-OD2 2.91Å; N236-D239 WeakPolarHBondContact OD1-CB 3.37Å; D239-K241 VanDerWaalsContact C-N 3.31Å; D239-K241 WeakPolarHBondContact OD1-CB 3.49Å; D239-K241 PolarHBondContact OD1-N 3.38Å; D239-K241 VanDerWaalsContact OD1-N 3.08Å |
| 240 | L | 96.4 | Very high | 96.4 | Very high | 36 Ų | 36 | 73.1 Ų | 73.1 | 19% | 0.188 | 39% | 0.388 | C | S | . | . | trans | -90.1 | 1.8 | 172.8 | -59 | -171 | 0 | 0 | 0 | 112.3 | L221 V238 P242 E250 I252 Y267 | L221-L240 PolarHBondContact O-N 2.82Å; V238-L240 HydrophobicContact CG1-CD2 4.08Å; V238-L240 HydrophobicContact CG1-CG 4.11Å; L240-P242 VanDerWaalsContact O-CD 3.25Å; L240-P242 WeakPolarHBondContact O-CD 3.48Å; L240-P242 VanDerWaalsContact O-N 3.14Å; L240-E250 HydrophobicContact CD1-CG 4.36Å; L240-I252 HydrophobicContact CD1-CD1 4.05Å; L240-I252 HydrophobicContact CD1-CG1 3.66Å; L240-I252 HydrophobicContact CG-CD1 4.25Å; L240-I252 HydrophobicContact CG-CG1 4.4Å; L240-Y267 HydrophobicContact CD1-CE2 4.14Å | ||
| 241 | K | 96.1 | Very high | 96.4 | Very high | 90 Ų | 90 | 72.1 Ų | 72.1 | 39% | 0.391 | 38% | 0.384 | S | S | . | . | trans | -64.2 | 117.6 | -177.4 | -172.7 | -170.7 | 170 | -64.7 | 0 | 109.9 | L221 D239 M245 | L221-K241 HydrophobicContact CB-CB 4.39Å; L221-K241 HydrophobicContact CD1-CB 4.02Å; L221-K241 HydrophobicContact CD1-CG 3.98Å; D239-K241 VanDerWaalsContact C-N 3.31Å; D239-K241 WeakPolarHBondContact OD1-CB 3.49Å; D239-K241 PolarHBondContact OD1-N 3.38Å; D239-K241 VanDerWaalsContact OD1-N 3.08Å; K241-M245 HydrophobicContact CG-SD 4.07Å | ||
| 242 | P | 96.3 | Very high | 96.5 | Very high | 27 Ų | 27 | 69.7 Ų | 69.7 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | trans | -68.9 | 159.9 | 176.4 | 31.6 | -37 | 0 | 0 | 0 | 111 | L240 N244 M245 D247 L248 | L240-P242 VanDerWaalsContact O-CD 3.25Å; L240-P242 WeakPolarHBondContact O-CD 3.48Å; L240-P242 VanDerWaalsContact O-N 3.14Å; P242-N244 VanDerWaalsContact CB-O 3.28Å; P242-N244 WeakPolarHBondContact CB-O 3.42Å; P242-N244 WeakPolarHBondContact CG-O 3.46Å; P242-M245 HydrophobicContact CG-CE 4.06Å; P242-M245 HydrophobicContact CG-SD 4.09Å; P242-D247 HydrophobicContact CB-CB 4.32Å; P242-L248 HydrophobicContact CG-CB 4.29Å | ||
| 243 | V | 95.2 | Very high | 96.6 | Very high | 155 Ų | 155 | 63.9 Ų | 63.9 | 94% | 0.939 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -62.9 | -50.4 | 174.7 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | ||
| 244 | N | 96.1 | Very high | 96.7 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -97.5 | 125.6 | 169.1 | -174.1 | 4.2 | 0 | 0 | 0 | 109.5 | P242 E246 D247 | P242-N244 VanDerWaalsContact CB-O 3.28Å; P242-N244 WeakPolarHBondContact CB-O 3.42Å; P242-N244 WeakPolarHBondContact CG-O 3.46Å; N244-E246 PolarHBondContact ND2-OE2 2.9Å; N244-E246 PolarHBondContact O-N 2.97Å; N244-E246 PolarHBondContact OD1-N 3.33Å; N244-D247 WeakPolarHBondContact O-CB 3.36Å; N244-D247 PolarHBondContact O-N 3.46Å; N244-D247 VanDerWaalsContact O-N 3.09Å |
| 245 | M | 94.4 | Very high | 96.8 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 32% | 0.32 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -69.8 | -18.8 | -176 | -145.7 | 51.1 | -122.5 | 0 | 0 | 112.9 | L221 K241 P242 D247 L248 | L221-M245 HydrophobicContact CD1-CE 3.72Å; L221-M245 HydrophobicContact CD1-SD 4.39Å; K241-M245 HydrophobicContact CG-SD 4.07Å; P242-M245 HydrophobicContact CG-CE 4.06Å; P242-M245 HydrophobicContact CG-SD 4.09Å; M245-D247 VanDerWaalsContact C-N 3.25Å; M245-D247 PolarHBondContact O-N 3.3Å; M245-L248 HydrophobicContact CE-CB 3.69Å; M245-L248 HydrophobicContact CE-CD1 3.95Å; M245-L248 HydrophobicContact CE-CD2 3.58Å; M245-L248 HydrophobicContact CE-CG 3.92Å; M245-L248 WeakPolarHBondContact O-CB 3.32Å; M245-L248 PolarHBondContact O-N 3.1Å |
| 246 | E | 95.6 | Very high | 96.9 | Very high | 167 Ų | 167 | 52.9 Ų | 52.9 | 78% | 0.78 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -68 | -23.2 | 172 | -62 | 173.5 | 159.3 | 0 | 0 | 113 | N244 L248 | N244-E246 PolarHBondContact ND2-OE2 2.9Å; N244-E246 PolarHBondContact O-N 2.97Å; N244-E246 PolarHBondContact OD1-N 3.33Å; E246-L248 PolarHBondContact O-N 3.12Å |
| 247 | D | 96 | Very high | 97 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 60% | 0.599 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -84.4 | 6.8 | 178.8 | -62 | -33 | 0 | 0 | 0 | 112.5 | P242 N244 M245 S249 | P242-D247 HydrophobicContact CB-CB 4.32Å; N244-D247 WeakPolarHBondContact O-CB 3.36Å; N244-D247 PolarHBondContact O-N 3.46Å; N244-D247 VanDerWaalsContact O-N 3.09Å; M245-D247 VanDerWaalsContact C-N 3.25Å; M245-D247 PolarHBondContact O-N 3.3Å; D247-S249 PolarHBondContact O-N 2.78Å |
| 248 | L | 96.4 | Very high | 97 | Very high | 72 Ų | 72 | 52 Ų | 52 | 38% | 0.377 | 28% | 0.281 | S | S | . | . | trans | -61.6 | 120.6 | 178.7 | 178.9 | 63.8 | 0 | 0 | 0 | 110.2 | L221 P242 M245 E246 E250 V251 | L221-L248 HydrophobicContact CD2-CD1 3.44Å; L221-L248 VanDerWaalsContact CD2-CD1 3.44Å; P242-L248 HydrophobicContact CG-CB 4.29Å; M245-L248 HydrophobicContact CE-CB 3.69Å; M245-L248 HydrophobicContact CE-CD1 3.95Å; M245-L248 HydrophobicContact CE-CD2 3.58Å; M245-L248 HydrophobicContact CE-CG 3.92Å; M245-L248 WeakPolarHBondContact O-CB 3.32Å; M245-L248 PolarHBondContact O-N 3.1Å; E246-L248 PolarHBondContact O-N 3.12Å; L248-E250 WeakPolarHBondContact CD1-O 3.44Å; L248-V251 HydrophobicContact CD1-CG1 4.41Å; L248-V251 HydrophobicContact CD2-CG1 4.34Å | ||
| 249 | S | 93.6 | Very high | 96.9 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 56% | 0.559 | 30% | 0.297 | S | S | * | . | trans | -125.3 | -20.6 | -178.3 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | D247 K271 | D247-S249 PolarHBondContact O-N 2.78Å; S249-K271 WeakPolarHBondContact O-CE 3.14Å; S249-K271 PolarHBondContact OG-NZ 3.33Å | ||
| 250 | E | 95.7 | Very high | 96.9 | Very high | 30 Ų | 30 | 55.1 Ų | 55.1 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | trans | -143.3 | 146.3 | 180 | 62.9 | -170.3 | -157.8 | 0 | 0 | 111 | L240 L248 K271 R275 | L240-E250 HydrophobicContact CD1-CG 4.36Å; L248-E250 WeakPolarHBondContact CD1-O 3.44Å; E250-K271 HydrophobicContact CB-CD 4.03Å; E250-K271 HydrophobicContact CB-CG 4.12Å; E250-K271 IonicContact OE2-NZ 2.97Å; E250-K271 PolarHBondContact OE2-NZ 2.91Å; E250-R275 IonicContact OE1-CZ 3.21Å; E250-R275 IonicContact OE1-NH1 2.63Å; E250-R275 PolarHBondContact OE1-NH1 2.89Å; E250-R275 IonicContact OE1-NH2 3.78Å; E250-R275 PolarHBondContact OE1-NH2 2.9Å; E250-R275 IonicContact OE2-NH2 3.82Å; E250-R275 PolarHBondContact OE2-NH2 2.78Å | ||
| 251 | V | 98.1 | Very high | 97 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | trans | -123.3 | 153.6 | 172.5 | -62.2 | 0 | 0 | 0 | 0 | 109.9 | D220 L221 L248 T253 S269 S270 | D220-V251 HydrophobicContact CB-CB 4.03Å; D220-V251 HydrophobicContact CB-CG1 4.07Å; D220-V251 CarbonylContact O-C 3.52Å; D220-V251 WeakPolarHBondContact O-CA 3.39Å; D220-V251 VanDerWaalsContact O-CB 3.3Å; D220-V251 WeakPolarHBondContact O-CB 3.41Å; L221-V251 HydrophobicContact CD2-CG1 4.21Å; L248-V251 HydrophobicContact CD1-CG1 4.41Å; L248-V251 HydrophobicContact CD2-CG1 4.34Å; V251-T253 HydrophobicContact CG2-CG2 4.44Å; V251-S269 CarbonylContact O-C 3.51Å; V251-S269 WeakPolarHBondContact O-CA 3.36Å; V251-S269 VanDerWaalsContact O-CB 3.3Å; V251-S269 WeakPolarHBondContact O-CB 3.32Å; V251-S270 PolarHBondContact N-OG 3.4Å; V251-S270 VanDerWaalsContact N-OG 3.16Å; V251-S270 PolarHBondContact O-N 2.85Å | ||
| 252 | I | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.6 | 171.5 | -64.3 | 156.9 | 0 | 0 | 0 | 108.5 | N204 A218 D219 D220 I223 V238 L240 Y267 S268 | N204-I252 PolarHBondContact ND2-O 3.28Å; A218-I252 HydrophobicContact CB-CG2 4.13Å; D219-I252 WeakPolarHBondContact O-CB 3.24Å; D220-I252 PolarHBondContact O-N 2.97Å; I223-I252 HydrophobicContact CD1-CD1 4.26Å; I223-I252 HydrophobicContact CG1-CD1 3.8Å; V238-I252 HydrophobicContact CG1-CD1 4.34Å; L240-I252 HydrophobicContact CD1-CD1 4.05Å; L240-I252 HydrophobicContact CD1-CG1 3.66Å; L240-I252 HydrophobicContact CG-CD1 4.25Å; L240-I252 HydrophobicContact CG-CG1 4.4Å; I252-Y267 HydrophobicContact CG1-CD2 3.86Å; I252-Y267 HydrophobicContact CG1-CE2 4.14Å; I252-Y267 HydrophobicContact CG2-CD2 4.39Å; I252-S268 WeakPolarHBondContact CA-O 3.07Å |
| 253 | T | 98.7 | Very high | 97.1 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 9% | 0.086 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -32.1 | -175.6 | 62.5 | 0 | 0 | 0 | 0 | 113.1 | V251 S268 N310 I311 | V251-T253 HydrophobicContact CG2-CG2 4.44Å; T253-S268 PolarHBondContact N-O 3.39Å; T253-S268 PolarHBondContact OG1-O 3.11Å; T253-S268 PolarHBondContact OG1-OG 3.11Å; T253-N310 WeakPolarHBondContact CG2-OD1 3.45Å; T253-I311 WeakPolarHBondContact CB-O 3.46Å; T253-I311 PolarHBondContact OG1-O 2.9Å |
| 254 | A | 98.8 | Very high | 97.3 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 7% | 0.066 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 152.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S205 Y267 S268 L314 | S205-A254 VanDerWaalsContact OG-CA 3.27Å; S205-A254 WeakPolarHBondContact OG-CA 3.28Å; A254-Y267 CarbonylContact O-C 3.54Å; A254-Y267 WeakPolarHBondContact O-CA 3.21Å; A254-Y267 WeakPolarHBondContact O-CB 3.3Å; A254-S268 WeakPolarHBondContact CB-OG 3.43Å; A254-S268 PolarHBondContact N-OG 2.88Å; A254-S268 PolarHBondContact O-N 3.37Å; A254-L314 HydrophobicContact CB-CB 3.84Å |
| 255 | A | 98.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 138.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S205 L216 A218 I223 I266 | S205-A255 PolarHBondContact OG-N 3.21Å; L216-A255 HydrophobicContact CD1-CB 3.91Å; A218-A255 HydrophobicContact CB-CB 3.77Å; I223-A255 HydrophobicContact CD1-CB 3.91Å; A255-I266 CarbonylContact C-O 3.57Å; A255-I266 VanDerWaalsContact CA-O 3.3Å; A255-I266 WeakPolarHBondContact CA-O 3.37Å |
| 256 | Q | 98.7 | Very high | 97.6 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 138 | -177.2 | -159.6 | -178.9 | 42.4 | 0 | 0 | 112.5 | F265 I266 N315 | Q256-F265 CarbonylContact O-C 3.51Å; Q256-F265 VanDerWaalsContact O-CA 3.28Å; Q256-F265 WeakPolarHBondContact O-CA 3.49Å; Q256-F265 WeakPolarHBondContact O-CB 3.15Å; Q256-I266 HydrophobicContact CB-CG1 4.38Å; Q256-I266 PolarHBondContact N-O 2.8Å; Q256-I266 PolarHBondContact O-N 2.69Å; Q256-N315 PolarHBondContact NE2-OD1 3.36Å; Q256-N315 VanDerWaalsContact OE1-CA 3.31Å |
| 257 | F | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 150 | 167.6 | -82.4 | -61.8 | 0 | 0 | 0 | 112.1 | S207 N209 L216 L225 F265 M279 F316 | S207-F257 WeakPolarHBondContact O-CD2 3.26Å; S207-F257 PolarHBondContact OG-N 3.36Å; N209-F257 HydrophobicContact CB-CD1 4.5Å; N209-F257 HydrophobicContact CB-CD2 3.68Å; N209-F257 HydrophobicContact CB-CE2 3.64Å; N209-F257 HydrophobicContact CB-CG 4.13Å; N209-F257 HydrophobicContact CB-CZ 4.09Å; L216-F257 HydrophobicContact CB-CD2 4.36Å; L216-F257 HydrophobicContact CB-CE2 3.61Å; L216-F257 HydrophobicContact CB-CZ 3.9Å; L216-F257 HydrophobicContact CD2-CD1 4.06Å; L216-F257 HydrophobicContact CD2-CD2 3.67Å; L216-F257 HydrophobicContact CD2-CE1 3.94Å; L216-F257 HydrophobicContact CD2-CE2 3.59Å; L216-F257 HydrophobicContact CD2-CG 3.9Å; L216-F257 HydrophobicContact CD2-CZ 3.71Å; L216-F257 HydrophobicContact CG-CD2 3.79Å; L216-F257 HydrophobicContact CG-CE2 3.56Å; L216-F257 HydrophobicContact CG-CZ 4.07Å; L225-F257 HydrophobicContact CD1-CE2 4.4Å; L225-F257 HydrophobicContact CD1-CZ 3.64Å; F257-F265 HydrophobicContact CD1-CB 3.71Å; F257-F265 HydrophobicContact CE1-CB 4.11Å; F257-F265 HydrophobicContact CE1-CD1 4.4Å; F257-F265 HydrophobicContact CG-CB 4.43Å; F257-M279 HydrophobicContact CE1-CE 3.92Å; F257-F316 WeakPolarHBondContact O-CD2 3.46Å |
| 258 | H | 98.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 8% | 0.083 | 17% | 0.165 | C | C | . | . | trans | -64 | 137.7 | 168.7 | -169.8 | -86.2 | 0 | 0 | 0 | 110.3 | S260 A261 L264 F316 G320 | H258-S260 PolarHBondContact CE1-OG 3.39Å; H258-S260 PolarHBondContact ND1-N 3.34Å; H258-S260 PolarHBondContact ND1-OG 3.45Å; H258-S260 PolarHBondContact O-N 3Å; H258-A261 HydrophobicContact CB-CB 4.12Å; H258-A261 VanDerWaalsContact ND1-CB 3.3Å; H258-A261 WeakPolarHBondContact ND1-CB 3.45Å; H258-A261 PolarHBondContact ND1-N 2.97Å; H258-A261 VanDerWaalsContact ND1-N 3.14Å; H258-L264 HydrophobicContact CB-CB 3.77Å; H258-L264 WeakPolarHBondContact CB-O 3.47Å; H258-L264 PolarHBondContact N-O 2.86Å; H258-F316 VanDerWaalsContact CA-CE2 3.5Å; H258-F316 HydrophobicContact CB-CE2 4.09Å; H258-F316 HydrophobicContact CB-CZ 4.12Å; H258-F316 AromaticContact CD2-CD1 3.99Å; H258-F316 AromaticContact CD2-CE1 3.57Å; H258-F316 AromaticContact CD2-CZ 3.75Å; H258-G320 WeakPolarHBondContact NE2-CA 3.42Å; H258-G320 PolarHBondContact NE2-O 2.99Å | ||
| 259 | P | 97 | Very high | 98 | Very high | 57 Ų | 57 | 23 Ų | 23 | 37% | 0.37 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -61.3 | -24.7 | -170.7 | 21.5 | -34.5 | 0 | 0 | 0 | 114.6 | F316 | P259-F316 HydrophobicContact CG-CB 4.26Š|
| 260 | S | 97.3 | Very high | 98.1 | Very high | 88 Ų | 88 | 20.3 Ų | 20.3 | 62% | 0.615 | 13% | 0.128 | S | C | * | . | S | Bend | trans | -133.5 | -10.8 | -175.5 | 60 | 0 | 0 | 0 | 0 | 115.5 | H258 | H258-S260 PolarHBondContact CE1-OG 3.39Å; H258-S260 PolarHBondContact ND1-N 3.34Å; H258-S260 PolarHBondContact ND1-OG 3.45Å; H258-S260 PolarHBondContact O-N 3Å |
| 261 | A | 98.1 | Very high | 98.1 | Very high | 28 Ų | 28 | 23 Ų | 23 | 23% | 0.231 | 14% | 0.14 | C | C | . | . | trans | -114.2 | 90.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | H258 S263 L264 | H258-A261 HydrophobicContact CB-CB 4.12Å; H258-A261 VanDerWaalsContact ND1-CB 3.3Å; H258-A261 WeakPolarHBondContact ND1-CB 3.45Å; H258-A261 PolarHBondContact ND1-N 2.97Å; H258-A261 VanDerWaalsContact ND1-N 3.14Å; A261-S263 PolarHBondContact O-N 2.98Å; A261-L264 HydrophobicContact CB-CB 4.26Å; A261-L264 HydrophobicContact CB-CD1 3.91Å; A261-L264 HydrophobicContact CB-CG 4.04Å; A261-L264 PolarHBondContact O-N 2.83Å | ||
| 262 | C | 97.8 | Very high | 98 | Very high | 42 Ų | 42 | 22.1 Ų | 22.1 | 28% | 0.284 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -12.5 | -167.3 | 61.9 | 0 | 0 | 0 | 0 | 116.3 | N209 S210 D211 M279 | N209-C262 PolarHBondContact ND2-O 2.8Å; N209-C262 WeakPolarHBondContact OD1-CA 3.33Å; N209-C262 VanDerWaalsContact OD1-CB 3.3Å; N209-C262 WeakPolarHBondContact OD1-CB 3.02Å; N209-C262 PolarHBondContact OD1-O 3.3Å; S210-C262 WeakPolarHBondContact OG-CA 3.34Å; S210-C262 WeakPolarHBondContact OG-CB 3.23Å; S210-C262 PolarHBondContact OG-N 3.3Å; D211-C262 HydrophobicContact CB-CB 4.05Å; C262-M279 WeakPolarHBondContact O-CE 3.48Å |
| 263 | S | 97.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 6% | 0.056 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -9.4 | 174 | 66.5 | 0 | 0 | 0 | 0 | 114.1 | A261 D278 M279 R280 | A261-S263 PolarHBondContact O-N 2.98Å; S263-D278 PolarHBondContact OG-OD1 2.8Å; S263-M279 PolarHBondContact O-N 3.18Å; S263-R280 WeakPolarHBondContact OG-CD 3.39Å; S263-R280 PolarHBondContact OG-NE 2.76Å |
| 264 | L | 98.4 | Very high | 97.9 | Very high | 34 Ų | 34 | 21.9 Ų | 21.9 | 18% | 0.178 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 136.6 | -173.9 | -58.3 | -174.2 | 0 | 0 | 0 | 111.1 | H258 A261 L276 C277 D278 | H258-L264 HydrophobicContact CB-CB 3.77Å; H258-L264 WeakPolarHBondContact CB-O 3.47Å; H258-L264 PolarHBondContact N-O 2.86Å; A261-L264 HydrophobicContact CB-CB 4.26Å; A261-L264 HydrophobicContact CB-CD1 3.91Å; A261-L264 HydrophobicContact CB-CG 4.04Å; A261-L264 PolarHBondContact O-N 2.83Å; L264-L276 HydrophobicContact CB-CD1 4.4Å; L264-C277 WeakPolarHBondContact CA-O 3.3Å; L264-D278 HydrophobicContact CD2-CB 3.47Å; L264-D278 VanDerWaalsContact CD2-CB 3.47Å; L264-D278 VanDerWaalsContact CD2-CG 3.43Å |
| 265 | F | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 160.5 | 169.1 | 68.8 | -85.7 | 0 | 0 | 0 | 110 | L216 I223 I237 V238 Q256 F257 Y267 C277 M279 C285 | L216-F265 HydrophobicContact CD2-CB 4.01Å; L216-F265 HydrophobicContact CD2-CD2 4.35Å; L216-F265 HydrophobicContact CD2-CG 4.25Å; I223-F265 HydrophobicContact CD1-CD2 4.42Å; I223-F265 HydrophobicContact CD1-CE2 3.85Å; I237-F265 HydrophobicContact CD1-CD1 4.34Å; I237-F265 HydrophobicContact CD1-CE1 3.71Å; I237-F265 HydrophobicContact CD1-CE2 4.4Å; I237-F265 HydrophobicContact CD1-CZ 3.74Å; I237-F265 HydrophobicContact CG1-CZ 4.4Å; V238-F265 HydrophobicContact CG2-CE2 4Å; V238-F265 HydrophobicContact CG2-CZ 3.82Å; Q256-F265 CarbonylContact O-C 3.51Å; Q256-F265 VanDerWaalsContact O-CA 3.28Å; Q256-F265 WeakPolarHBondContact O-CA 3.49Å; Q256-F265 WeakPolarHBondContact O-CB 3.15Å; F257-F265 HydrophobicContact CD1-CB 3.71Å; F257-F265 HydrophobicContact CE1-CB 4.11Å; F257-F265 HydrophobicContact CE1-CD1 4.4Å; F257-F265 HydrophobicContact CG-CB 4.43Å; F265-Y267 HydrophobicContact CE2-CD1 4.11Å; F265-C277 HydrophobicContact CD1-CB 3.94Å; F265-C277 HydrophobicContact CD2-CB 4.22Å; F265-C277 HydrophobicContact CE1-CB 3.42Å; F265-C277 VanDerWaalsContact CE1-CB 3.42Å; F265-C277 HydrophobicContact CE2-CB 3.73Å; F265-C277 HydrophobicContact CG-CB 4.31Å; F265-C277 HydrophobicContact CZ-CB 3.3Å; F265-C277 PolarHBondContact N-O 3.29Å; F265-C277 PolarHBondContact O-N 2.65Å; F265-M279 HydrophobicContact CD1-CG 4.22Å; F265-M279 HydrophobicContact CE1-CG 3.9Å; F265-M279 HydrophobicContact CE1-SD 4.43Å; F265-C285 HydrophobicContact CZ-CB 4.1Å |
| 266 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 154.1 | 173.1 | 56.6 | -178.5 | 0 | 0 | 0 | 110.1 | A255 Q256 I274 R275 L276 L314 F316 I323 | A255-I266 CarbonylContact C-O 3.57Å; A255-I266 VanDerWaalsContact CA-O 3.3Å; A255-I266 WeakPolarHBondContact CA-O 3.37Å; Q256-I266 HydrophobicContact CB-CG1 4.38Å; Q256-I266 PolarHBondContact N-O 2.8Å; Q256-I266 PolarHBondContact O-N 2.69Å; I266-I274 HydrophobicContact CB-CG2 4.16Å; I266-I274 HydrophobicContact CG2-CG2 4.42Å; I266-R275 CarbonylContact C-O 3.58Å; I266-R275 WeakPolarHBondContact CA-O 3.27Å; I266-L276 HydrophobicContact CG2-CB 4.09Å; I266-L276 HydrophobicContact CG2-CD1 3.61Å; I266-L276 HydrophobicContact CG2-CG 4.49Å; I266-L314 HydrophobicContact CB-CD2 4.07Å; I266-L314 HydrophobicContact CD1-CD1 4.15Å; I266-L314 HydrophobicContact CD1-CD2 3.48Å; I266-L314 VanDerWaalsContact CD1-CD2 3.48Å; I266-L314 HydrophobicContact CD1-CG 3.6Å; I266-L314 HydrophobicContact CG1-CD2 3.53Å; I266-L314 HydrophobicContact CG1-CG 4.2Å; I266-F316 HydrophobicContact CB-CE2 4.27Å; I266-F316 HydrophobicContact CB-CZ 4.14Å; I266-F316 HydrophobicContact CD1-CD1 4.33Å; I266-F316 HydrophobicContact CD1-CD2 3.79Å; I266-F316 HydrophobicContact CD1-CE1 4.06Å; I266-F316 HydrophobicContact CD1-CE2 3.51Å; I266-F316 HydrophobicContact CD1-CG 4.21Å; I266-F316 HydrophobicContact CD1-CZ 3.68Å; I266-F316 HydrophobicContact CG1-CD2 4.12Å; I266-F316 HydrophobicContact CG1-CE2 3.45Å; I266-F316 VanDerWaalsContact CG1-CE2 3.45Å; I266-F316 HydrophobicContact CG1-CZ 3.75Å; I266-F316 HydrophobicContact CG2-CE1 4.15Å; I266-F316 HydrophobicContact CG2-CE2 4.09Å; I266-F316 HydrophobicContact CG2-CZ 3.46Å; I266-F316 VanDerWaalsContact CG2-CZ 3.46Å; I266-I323 HydrophobicContact CD1-CD1 4.14Å; I266-I323 HydrophobicContact CD1-CG1 4.02Å; I266-I323 HydrophobicContact CD1-CG2 3.74Å; I266-I323 HydrophobicContact CG2-CD1 3.94Å |
| 267 | Y | 98.9 | Very high | 97.8 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 147.5 | 162.4 | 70.4 | -89.2 | 0 | 0 | 0 | 110.7 | I223 V238 L240 I252 A254 F265 I274 R275 | I223-Y267 HydrophobicContact CD1-CD1 3.84Å; I223-Y267 HydrophobicContact CD1-CG 3.81Å; V238-Y267 HydrophobicContact CG1-CE1 4.35Å; V238-Y267 HydrophobicContact CG2-CE1 4.26Å; L240-Y267 HydrophobicContact CD1-CE2 4.14Å; I252-Y267 HydrophobicContact CG1-CD2 3.86Å; I252-Y267 HydrophobicContact CG1-CE2 4.14Å; I252-Y267 HydrophobicContact CG2-CD2 4.39Å; A254-Y267 CarbonylContact O-C 3.54Å; A254-Y267 WeakPolarHBondContact O-CA 3.21Å; A254-Y267 WeakPolarHBondContact O-CB 3.3Å; F265-Y267 HydrophobicContact CE2-CD1 4.11Å; Y267-I274 CarbonylContact O-C 3.56Å; Y267-I274 WeakPolarHBondContact O-CA 3.39Å; Y267-R275 HydrophobicContact CD1-CB 4.14Å; Y267-R275 HydrophobicContact CE1-CB 3.7Å; Y267-R275 HydrophobicContact CE2-CB 4.29Å; Y267-R275 VanDerWaalsContact CZ-CD 3.42Å; Y267-R275 PolarHBondContact N-O 2.78Å; Y267-R275 PolarHBondContact O-N 2.82Å; Y267-R275 WeakPolarHBondContact OH-CD 3.35Å; Y267-R275 PolarHBondContact OH-NH1 2.88Å; Y267-R275 VanDerWaalsContact OH-NH1 3.14Å |
| 268 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 161.5 | 174.2 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | I252 T253 A254 T273 I311 | I252-S268 WeakPolarHBondContact CA-O 3.07Å; T253-S268 PolarHBondContact N-O 3.39Å; T253-S268 PolarHBondContact OG1-O 3.11Å; T253-S268 PolarHBondContact OG1-OG 3.11Å; A254-S268 WeakPolarHBondContact CB-OG 3.43Å; A254-S268 PolarHBondContact N-OG 2.88Å; A254-S268 PolarHBondContact O-N 3.37Å; S268-T273 CarbonylContact C-O 3.58Å; S268-T273 VanDerWaalsContact CA-O 3.28Å; S268-T273 WeakPolarHBondContact CA-O 3.27Å; S268-I311 WeakPolarHBondContact OG-CG2 3.19Å |
| 269 | S | 97.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 167.2 | 177.7 | 73.1 | 0 | 0 | 0 | 0 | 113.8 | V251 K271 G272 T273 | V251-S269 CarbonylContact O-C 3.51Å; V251-S269 WeakPolarHBondContact O-CA 3.36Å; V251-S269 VanDerWaalsContact O-CB 3.3Å; V251-S269 WeakPolarHBondContact O-CB 3.32Å; S269-K271 PolarHBondContact O-N 3Å; S269-K271 VanDerWaalsContact O-N 3.14Å; S269-K271 PolarHBondContact OG-N 3.14Å; S269-G272 PolarHBondContact O-N 3.25Å; S269-G272 VanDerWaalsContact O-N 3.15Å; S269-T273 PolarHBondContact N-O 2.63Å; S269-T273 PolarHBondContact OG-OG1 2.91Å |
| 270 | S | 96.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 16% | 0.161 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -12.7 | 173.3 | 59 | 0 | 0 | 0 | 0 | 114.3 | V251 N310 | V251-S270 PolarHBondContact N-OG 3.4Å; V251-S270 VanDerWaalsContact N-OG 3.16Å; V251-S270 PolarHBondContact O-N 2.85Å; S270-N310 WeakPolarHBondContact O-CA 3.47Å |
| 271 | K | 95 | Very high | 97.6 | Very high | 87 Ų | 87 | 33.6 Ų | 33.6 | 38% | 0.378 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2.8 | 175.8 | -70.1 | -174.7 | -174.3 | 150 | 0 | 114 | S249 E250 S269 T273 | S249-K271 WeakPolarHBondContact O-CE 3.14Å; S249-K271 PolarHBondContact OG-NZ 3.33Å; E250-K271 HydrophobicContact CB-CD 4.03Å; E250-K271 HydrophobicContact CB-CG 4.12Å; E250-K271 IonicContact OE2-NZ 2.97Å; E250-K271 PolarHBondContact OE2-NZ 2.91Å; S269-K271 PolarHBondContact O-N 3Å; S269-K271 VanDerWaalsContact O-N 3.14Å; S269-K271 PolarHBondContact OG-N 3.14Å; K271-T273 HydrophobicContact CB-CG2 4.32Å |
| 272 | G | 95.7 | Very high | 97.5 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 79.1 | 19.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S269 N309 | S269-G272 PolarHBondContact O-N 3.25Å; S269-G272 VanDerWaalsContact O-N 3.15Å; G272-N309 WeakPolarHBondContact CA-O 3.3Å; G272-N309 PolarHBondContact N-O 2.68Å |
| 273 | T | 96.5 | Very high | 97.3 | Very high | 11 Ų | 11 | 37.3 Ų | 37.3 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | trans | -102.5 | 143.4 | 177.3 | 69.6 | 0 | 0 | 0 | 0 | 110.7 | S268 S269 K271 E293 | S268-T273 CarbonylContact C-O 3.58Å; S268-T273 VanDerWaalsContact CA-O 3.28Å; S268-T273 WeakPolarHBondContact CA-O 3.27Å; S269-T273 PolarHBondContact N-O 2.63Å; S269-T273 PolarHBondContact OG-OG1 2.91Å; K271-T273 HydrophobicContact CB-CG2 4.32Å; T273-E293 HydrophobicContact CG2-CB 3.86Å; T273-E293 WeakPolarHBondContact CG2-OE2 3.44Å | ||
| 274 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133 | 171.7 | -52.6 | 157.8 | 0 | 0 | 0 | 107.5 | I266 Y267 S291 F292 I311 L314 I323 W334 | I266-I274 HydrophobicContact CB-CG2 4.16Å; I266-I274 HydrophobicContact CG2-CG2 4.42Å; Y267-I274 CarbonylContact O-C 3.56Å; Y267-I274 WeakPolarHBondContact O-CA 3.39Å; I274-S291 CarbonylContact O-C 3.58Å; I274-S291 WeakPolarHBondContact O-CA 3.39Å; I274-F292 HydrophobicContact CB-CB 4.12Å; I274-F292 HydrophobicContact CB-CD2 4.36Å; I274-F292 HydrophobicContact CG2-CD2 4.41Å; I274-F292 PolarHBondContact N-O 3.43Å; I274-F292 WeakPolarHBondContact O-CD2 3.42Å; I274-F292 PolarHBondContact O-N 2.87Å; I274-I311 HydrophobicContact CD1-CD1 4.23Å; I274-I311 HydrophobicContact CG1-CD1 3.6Å; I274-L314 HydrophobicContact CD1-CD1 3.67Å; I274-L314 HydrophobicContact CG1-CD1 3.84Å; I274-L314 HydrophobicContact CG2-CD1 3.97Å; I274-L314 HydrophobicContact CG2-CD2 4.08Å; I274-I323 HydrophobicContact CD1-CG2 4.28Å; I274-I323 HydrophobicContact CG2-CD1 4.31Å; I274-W334 HydrophobicContact CD1-CG 4.34Å |
| 275 | R | 98.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 40 Ų | 40 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.9 | -179.2 | -70.8 | 173.3 | -175.9 | 177.7 | 16.9 | 109.5 | E250 I266 Y267 H288 L290 | E250-R275 IonicContact OE1-CZ 3.21Å; E250-R275 IonicContact OE1-NH1 2.63Å; E250-R275 PolarHBondContact OE1-NH1 2.89Å; E250-R275 IonicContact OE1-NH2 3.78Å; E250-R275 PolarHBondContact OE1-NH2 2.9Å; E250-R275 IonicContact OE2-NH2 3.82Å; E250-R275 PolarHBondContact OE2-NH2 2.78Å; I266-R275 CarbonylContact C-O 3.58Å; I266-R275 WeakPolarHBondContact CA-O 3.27Å; Y267-R275 HydrophobicContact CD1-CB 4.14Å; Y267-R275 HydrophobicContact CE1-CB 3.7Å; Y267-R275 HydrophobicContact CE2-CB 4.29Å; Y267-R275 VanDerWaalsContact CZ-CD 3.42Å; Y267-R275 PolarHBondContact N-O 2.78Å; Y267-R275 PolarHBondContact O-N 2.82Å; Y267-R275 WeakPolarHBondContact OH-CD 3.35Å; Y267-R275 PolarHBondContact OH-NH1 2.88Å; Y267-R275 VanDerWaalsContact OH-NH1 3.14Å; R275-H288 HydrophobicContact CB-CB 3.85Å; R275-H288 HydrophobicContact CG-CB 4.14Å; R275-L290 WeakPolarHBondContact CA-O 3.39Å |
| 276 | L | 98.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.8 | 170.4 | 177.1 | 75.3 | 0 | 0 | 0 | 108.9 | L264 I266 H288 A289 L290 F292 F316 L336 | L264-L276 HydrophobicContact CB-CD1 4.4Å; I266-L276 HydrophobicContact CG2-CB 4.09Å; I266-L276 HydrophobicContact CG2-CD1 3.61Å; I266-L276 HydrophobicContact CG2-CG 4.49Å; L276-H288 CarbonylContact O-C 3.43Å; L276-A289 WeakPolarHBondContact O-CB 3.32Å; L276-A289 PolarHBondContact O-N 3.03Å; L276-L290 HydrophobicContact CB-CB 4.2Å; L276-L290 HydrophobicContact CD2-CB 4.39Å; L276-L290 HydrophobicContact CD2-CD1 3.94Å; L276-L290 HydrophobicContact CD2-CG 4.33Å; L276-L290 PolarHBondContact N-O 2.98Å; L276-L290 PolarHBondContact O-N 2.79Å; L276-F292 HydrophobicContact CB-CE2 3.93Å; L276-F316 HydrophobicContact CD1-CZ 4.4Å; L276-L336 HydrophobicContact CD2-CD2 4.36Å |
| 277 | C | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 142.2 | 179 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | L264 F265 C285 | L264-C277 WeakPolarHBondContact CA-O 3.3Å; F265-C277 HydrophobicContact CD1-CB 3.94Å; F265-C277 HydrophobicContact CD2-CB 4.22Å; F265-C277 HydrophobicContact CE1-CB 3.42Å; F265-C277 VanDerWaalsContact CE1-CB 3.42Å; F265-C277 HydrophobicContact CE2-CB 3.73Å; F265-C277 HydrophobicContact CG-CB 4.31Å; F265-C277 HydrophobicContact CZ-CB 3.3Å; F265-C277 PolarHBondContact N-O 3.29Å; F265-C277 PolarHBondContact O-N 2.65Å; C277-C285 HydrophobicContact CB-CB 3.9Å |
| 278 | D | 98.1 | Very high | 95.7 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 16% | 0.155 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 106.9 | 174.4 | -174.8 | -4.5 | 0 | 0 | 0 | 110 | S263 L264 R280 Q281 R282 A289 | S263-D278 PolarHBondContact OG-OD1 2.8Å; L264-D278 HydrophobicContact CD2-CB 3.47Å; L264-D278 VanDerWaalsContact CD2-CB 3.47Å; L264-D278 VanDerWaalsContact CD2-CG 3.43Å; D278-R280 PolarHBondContact O-N 3.21Å; D278-R280 WeakPolarHBondContact OD1-CB 3.12Å; D278-R280 PolarHBondContact OD1-N 3.29Å; D278-Q281 HydrophobicContact CB-CB 4.27Å; D278-Q281 HydrophobicContact CB-CG 4.01Å; D278-Q281 PolarHBondContact O-N 2.85Å; D278-Q281 PolarHBondContact OD2-NE2 2.96Å; D278-R282 PolarHBondContact O-N 3.34Å; D278-R282 VanDerWaalsContact O-N 3.13Å; D278-A289 HydrophobicContact CB-CB 4.37Å |
| 279 | M | 97.7 | Very high | 95.6 | Very high | 40 Ų | 40 | 56.1 Ų | 56.1 | 20% | 0.197 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -18.2 | -177.5 | -64.4 | -170.7 | -68.1 | 0 | 0 | 113.1 | L225 I237 F257 C262 S263 F265 R282 | L225-M279 HydrophobicContact CD2-SD 4.2Å; I237-M279 HydrophobicContact CD1-SD 4.33Å; F257-M279 HydrophobicContact CE1-CE 3.92Å; C262-M279 WeakPolarHBondContact O-CE 3.48Å; S263-M279 PolarHBondContact O-N 3.18Å; F265-M279 HydrophobicContact CD1-CG 4.22Å; F265-M279 HydrophobicContact CE1-CG 3.9Å; F265-M279 HydrophobicContact CE1-SD 4.43Å; M279-R282 WeakPolarHBondContact CA-O 3.31Å; M279-R282 CarbonylContact O-C 3.38Å |
| 280 | R | 96.2 | Very high | 95.6 | Very high | 191 Ų | 191 | 59 Ų | 59 | 72% | 0.721 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -31.8 | 174.4 | -65.2 | 168 | -179.4 | 166.8 | 4 | 112.4 | S263 D278 | S263-R280 WeakPolarHBondContact OG-CD 3.39Å; S263-R280 PolarHBondContact OG-NE 2.76Å; D278-R280 PolarHBondContact O-N 3.21Å; D278-R280 WeakPolarHBondContact OD1-CB 3.12Å; D278-R280 PolarHBondContact OD1-N 3.29Å |
| 281 | Q | 96.1 | Very high | 95.6 | Very high | 133 Ų | 133 | 59.3 Ų | 59.3 | 62% | 0.621 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -45.1 | 176.4 | -66.7 | 179.2 | 37.1 | 0 | 0 | 109.8 | D278 | D278-Q281 HydrophobicContact CB-CB 4.27Å; D278-Q281 HydrophobicContact CB-CG 4.01Å; D278-Q281 PolarHBondContact O-N 2.85Å; D278-Q281 PolarHBondContact OD2-NE2 2.96Å |
| 282 | R | 96 | Very high | 95.7 | Very high | 91 Ų | 91 | 55.2 Ų | 55.2 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | trans | -146.5 | 122.1 | 178.8 | -58.3 | -165.7 | -179.4 | -159.5 | 3.2 | 110.8 | D278 M279 L284 C285 D286 E287 | D278-R282 PolarHBondContact O-N 3.34Å; D278-R282 VanDerWaalsContact O-N 3.13Å; M279-R282 WeakPolarHBondContact CA-O 3.31Å; M279-R282 CarbonylContact O-C 3.38Å; R282-L284 VanDerWaalsContact C-N 3.32Å; R282-L284 PolarHBondContact O-N 2.89Å; R282-C285 PolarHBondContact O-N 3.04Å; R282-C285 PolarHBondContact O-SG 2.76Å; R282-D286 WeakPolarHBondContact CD-OD1 3.42Å; R282-D286 IonicContact CZ-OD1 3.58Å; R282-D286 IonicContact NE-OD1 3.75Å; R282-D286 IonicContact NH1-OD1 2.74Å; R282-D286 PolarHBondContact NH1-OD1 3.17Å; R282-D286 IonicContact NH1-OD2 3.41Å; R282-E287 IonicContact CZ-OE1 3.84Å; R282-E287 VanDerWaalsContact CZ-OE1 3.3Å; R282-E287 IonicContact CZ-OE2 2.79Å; R282-E287 IonicContact NH1-OE1 2.85Å; R282-E287 PolarHBondContact NH1-OE1 3.02Å; R282-E287 IonicContact NH1-OE2 2.71Å; R282-E287 IonicContact NH2-OE1 2.7Å; R282-E287 PolarHBondContact NH2-OE1 2.86Å; R282-E287 IonicContact NH2-OE2 3.56Å; R282-E287 PolarHBondContact NH2-OE2 2.81Å | ||
| 283 | A | 92.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 59 Ų | 59 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -36.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | F235 | F235-A283 HydrophobicContact CE1-CB 4.32Å; F235-A283 HydrophobicContact CZ-CB 4.49Å |
| 284 | L | 92.7 | Very high | 95.3 | Very high | 96 Ų | 96 | 62.4 Ų | 62.4 | 50% | 0.503 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -1.1 | 179.8 | -64.1 | 178.5 | 0 | 0 | 0 | 113.9 | F235 I237 R282 D286 | F235-L284 HydrophobicContact CE1-CD2 4.4Å; F235-L284 HydrophobicContact CE2-CD2 4.04Å; F235-L284 HydrophobicContact CZ-CD2 3.57Å; I237-L284 CarbonylContact C-O 3.48Å; I237-L284 CarbonylContact O-C 3.58Å; R282-L284 VanDerWaalsContact C-N 3.32Å; R282-L284 PolarHBondContact O-N 2.89Å; L284-D286 PolarHBondContact O-N 3.11Å |
| 285 | C | 93.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | trans | 40.7 | 34.7 | 179.9 | -53.5 | 0 | 0 | 0 | 0 | 114.8 | I237 V238 F265 C277 R282 E287 | I237-C285 WeakPolarHBondContact O-CB 3.45Å; V238-C285 HydrophobicContact CG2-CB 4.05Å; F265-C285 HydrophobicContact CZ-CB 4.1Å; C277-C285 HydrophobicContact CB-CB 3.9Å; R282-C285 PolarHBondContact O-N 3.04Å; R282-C285 PolarHBondContact O-SG 2.76Å; C285-E287 CarbonylContact C-O 3.6Å; C285-E287 PolarHBondContact O-N 3.08Å | ||
| 286 | D | 90.2 | Very high | 93.4 | Very high | 116 Ų | 116 | 70.3 Ų | 70.3 | 62% | 0.62 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -66.2 | -26.1 | -178.2 | 56.7 | -5.7 | 0 | 0 | 0 | 112.1 | R282 L284 | R282-D286 WeakPolarHBondContact CD-OD1 3.42Å; R282-D286 IonicContact CZ-OD1 3.58Å; R282-D286 IonicContact NE-OD1 3.75Å; R282-D286 IonicContact NH1-OD1 2.74Å; R282-D286 PolarHBondContact NH1-OD1 3.17Å; R282-D286 IonicContact NH1-OD2 3.41Å; L284-D286 PolarHBondContact O-N 3.11Å |
| 287 | E | 91.5 | Very high | 92.4 | Very high | 117 Ų | 117 | 73.6 Ų | 73.6 | 55% | 0.547 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -115.2 | 142.4 | 158.3 | -70.9 | 172.2 | -134.3 | 0 | 0 | 110.4 | R282 C285 | R282-E287 IonicContact CZ-OE1 3.84Å; R282-E287 VanDerWaalsContact CZ-OE1 3.3Å; R282-E287 IonicContact CZ-OE2 2.79Å; R282-E287 IonicContact NH1-OE1 2.85Å; R282-E287 PolarHBondContact NH1-OE1 3.02Å; R282-E287 IonicContact NH1-OE2 2.71Å; R282-E287 IonicContact NH2-OE1 2.7Å; R282-E287 PolarHBondContact NH2-OE1 2.86Å; R282-E287 IonicContact NH2-OE2 3.56Å; R282-E287 PolarHBondContact NH2-OE2 2.81Å; C285-E287 CarbonylContact C-O 3.6Å; C285-E287 PolarHBondContact O-N 3.08Å |
| 288 | H | 92.4 | Very high | 91.6 | Very high | 74 Ų | 74 | 78.9 Ų | 78.9 | 34% | 0.343 | 41% | 0.409 | S | S | . | . | trans | -81.3 | 150.4 | 174.2 | 51.9 | -95.1 | 0 | 0 | 0 | 110.9 | R275 L276 L290 S291 | R275-H288 HydrophobicContact CB-CB 3.85Å; R275-H288 HydrophobicContact CG-CB 4.14Å; L276-H288 CarbonylContact O-C 3.43Å; H288-L290 VanDerWaalsContact CD2-C 3.47Å; H288-S291 WeakPolarHBondContact NE2-CB 3.36Å | ||
| 289 | A | 96 | Very high | 90.7 | Very high | 36 Ų | 36 | 85.8 Ų | 85.8 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -71.7 | -39.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L276 D278 | L276-A289 WeakPolarHBondContact O-CB 3.32Å; L276-A289 PolarHBondContact O-N 3.03Å; D278-A289 HydrophobicContact CB-CB 4.37Å |
| 290 | L | 96.9 | Very high | 89.9 | Confident | 62 Ų | 62 | 86.9 Ų | 86.9 | 33% | 0.325 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.5 | 174.6 | -63 | 173.9 | 0 | 0 | 0 | 110.3 | R275 L276 H288 F292 L336 P339 | R275-L290 WeakPolarHBondContact CA-O 3.39Å; L276-L290 HydrophobicContact CB-CB 4.2Å; L276-L290 HydrophobicContact CD2-CB 4.39Å; L276-L290 HydrophobicContact CD2-CD1 3.94Å; L276-L290 HydrophobicContact CD2-CG 4.33Å; L276-L290 PolarHBondContact N-O 2.98Å; L276-L290 PolarHBondContact O-N 2.79Å; H288-L290 VanDerWaalsContact CD2-C 3.47Å; L290-F292 HydrophobicContact CB-CE2 3.87Å; L290-F292 HydrophobicContact CB-CZ 4.15Å; L290-F292 HydrophobicContact CD1-CZ 4.17Å; L290-L336 VanDerWaalsContact CD1-O 3.23Å; L290-L336 WeakPolarHBondContact CD1-O 3.46Å; L290-P339 HydrophobicContact CD2-CG 4.4Å |
| 291 | S | 96.9 | Very high | 89.2 | Confident | 29 Ų | 29 | 84.2 Ų | 84.2 | 20% | 0.203 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.5 | 169.6 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | I274 H288 P339 | I274-S291 CarbonylContact O-C 3.58Å; I274-S291 WeakPolarHBondContact O-CA 3.39Å; H288-S291 WeakPolarHBondContact NE2-CB 3.36Å; S291-P339 WeakPolarHBondContact O-CB 3.16Å |
| 292 | F | 98.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 111 | 176.7 | -51.2 | -106.6 | 0 | 0 | 0 | 107.4 | I274 L276 L290 I323 W334 D335 L336 P339 | I274-F292 HydrophobicContact CB-CB 4.12Å; I274-F292 HydrophobicContact CB-CD2 4.36Å; I274-F292 HydrophobicContact CG2-CD2 4.41Å; I274-F292 PolarHBondContact N-O 3.43Å; I274-F292 WeakPolarHBondContact O-CD2 3.42Å; I274-F292 PolarHBondContact O-N 2.87Å; L276-F292 HydrophobicContact CB-CE2 3.93Å; L290-F292 HydrophobicContact CB-CE2 3.87Å; L290-F292 HydrophobicContact CB-CZ 4.15Å; L290-F292 HydrophobicContact CD1-CZ 4.17Å; F292-I323 HydrophobicContact CD2-CD1 4.38Å; F292-I323 HydrophobicContact CE1-CD1 4.42Å; F292-I323 HydrophobicContact CE2-CD1 4.1Å; F292-I323 HydrophobicContact CZ-CD1 4.14Å; F292-W334 HydrophobicContact CB-CD2 4.03Å; F292-W334 HydrophobicContact CB-CE3 3.69Å; F292-W334 HydrophobicContact CB-CH2 4.43Å; F292-W334 HydrophobicContact CB-CZ3 3.89Å; F292-W334 HydrophobicContact CD1-CB 3.97Å; F292-W334 HydrophobicContact CD1-CD2 4.43Å; F292-W334 HydrophobicContact CD1-CE3 4.03Å; F292-W334 HydrophobicContact CD1-CG 4.45Å; F292-W334 HydrophobicContact CG-CE3 4.37Å; F292-D335 WeakPolarHBondContact CE1-O 3.46Å; F292-L336 HydrophobicContact CE1-CD2 4.34Å; F292-L336 HydrophobicContact CE2-CD2 4.38Å; F292-L336 HydrophobicContact CZ-CD2 3.67Å; F292-P339 VanDerWaalsContact CD1-CA 3.47Å; F292-P339 HydrophobicContact CD1-CB 3.65Å; F292-P339 HydrophobicContact CE1-CB 3.65Å; F292-P339 HydrophobicContact CG-CB 4.14Å; F292-P339 HydrophobicContact CZ-CB 4.16Å |
| 293 | E | 94.2 | Very high | 88.6 | Confident | 97 Ų | 97 | 83 Ų | 83 | 45% | 0.453 | 45% | 0.446 | S | S | . | . | trans | -151.9 | 146.2 | -179.7 | 64.3 | -171 | 166.2 | 0 | 0 | 108.8 | T273 | T273-E293 HydrophobicContact CG2-CB 3.86Å; T273-E293 WeakPolarHBondContact CG2-OE2 3.44Å | ||
| 294 | E | 88.8 | Confident | 88.7 | Confident | 83 Ų | 83 | 81.6 Ų | 81.6 | 39% | 0.388 | 43% | 0.429 | S | S | . | . | trans | -86.7 | 141.8 | 167.1 | -74.6 | -178 | 99.7 | 0 | 0 | 109 | D296 K332 W334 P342 | E294-D296 PolarHBondContact O-N 2.78Å; E294-K332 WeakPolarHBondContact OE2-CD 3.07Å; E294-K332 WeakPolarHBondContact OE2-CE 3.25Å; E294-K332 IonicContact OE2-NZ 3.94Å; E294-K332 PolarHBondContact OE2-NZ 2.94Å; E294-W334 HydrophobicContact CG-CH2 3.95Å; E294-P342 HydrophobicContact CG-CG 4.29Å | ||
| 295 | V | 81.8 | Confident | 88.6 | Confident | 140 Ų | 140 | 77.6 Ų | 77.6 | 85% | 0.848 | 41% | 0.41 | S | S | * | . | trans | -76.4 | 110.2 | 173.5 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | D297 | V295-D297 PolarHBondContact O-N 2.88Š| ||
| 296 | D | 75.6 | Confident | 88.5 | Confident | 68 Ų | 68 | 83.2 Ų | 83.2 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | trans | -58.9 | 126.7 | 173.1 | -74.4 | -34.1 | 0 | 0 | 0 | 110 | E294 P298 N309 | E294-D296 PolarHBondContact O-N 2.78Å; D296-P298 VanDerWaalsContact O-CD 3.25Å; D296-P298 WeakPolarHBondContact O-CD 3.21Å; D296-N309 PolarHBondContact OD1-ND2 3.04Å | ||
| 297 | D | 77.7 | Confident | 88.8 | Confident | 83 Ų | 83 | 79.1 Ų | 79.1 | 44% | 0.444 | 41% | 0.413 | S | S | . | . | trans | -69.8 | 117.4 | 165.7 | 174 | 7.9 | 0 | 0 | 0 | 108 | V295 M299 S300 R301 | V295-D297 PolarHBondContact O-N 2.88Å; D297-M299 PolarHBondContact O-N 2.84Å; D297-M299 PolarHBondContact OD1-N 3.14Å; D297-S300 WeakPolarHBondContact O-CA 3.26Å; D297-S300 WeakPolarHBondContact O-CB 3.45Å; D297-S300 PolarHBondContact O-N 2.95Å; D297-S300 PolarHBondContact O-OG 2.8Å; D297-R301 PolarHBondContact O-N 2.9Å | ||
| 298 | P | 81.1 | Confident | 89 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 72% | 0.721 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -26.6 | 179.5 | -25.2 | 35.3 | 0 | 0 | 0 | 113.3 | D296 | D296-P298 VanDerWaalsContact O-CD 3.25Å; D296-P298 WeakPolarHBondContact O-CD 3.21Å |
| 299 | M | 80 | Confident | 89.1 | Confident | 173 Ų | 173 | 72.2 Ų | 72.2 | 85% | 0.852 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -21.2 | 176.4 | -61 | -147 | -64.1 | 0 | 0 | 113.7 | D297 | D297-M299 PolarHBondContact O-N 2.84Å; D297-M299 PolarHBondContact OD1-N 3.14Å |
| 300 | S | 79.4 | Confident | 89.1 | Confident | 64 Ų | 64 | 73 Ų | 73 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -14.4 | 177.3 | 77.9 | 0 | 0 | 0 | 0 | 113.4 | D297 C302 | D297-S300 WeakPolarHBondContact O-CA 3.26Å; D297-S300 WeakPolarHBondContact O-CB 3.45Å; D297-S300 PolarHBondContact O-N 2.95Å; D297-S300 PolarHBondContact O-OG 2.8Å; S300-C302 PolarHBondContact O-N 3.17Å |
| 301 | R | 83.1 | Confident | 89.2 | Confident | 134 Ų | 134 | 70.2 Ų | 70.2 | 51% | 0.506 | 37% | 0.367 | S | S | . | . | trans | -69 | 123.1 | -177.2 | -166.9 | 174.9 | -176.9 | 146 | -6.3 | 110.4 | D297 S305 E306 | D297-R301 PolarHBondContact O-N 2.9Å; R301-S305 WeakPolarHBondContact CA-OG 3.3Å; R301-E306 IonicContact CZ-OE1 2.65Å; R301-E306 IonicContact NH2-OE1 2.84Å; R301-E306 PolarHBondContact NH2-OE1 2.79Å | ||
| 302 | C | 87.9 | Confident | 89.3 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | trans | -121.2 | 176.3 | 171.5 | 71.3 | 0 | 0 | 0 | 0 | 110.1 | S300 F304 S305 | S300-C302 PolarHBondContact O-N 3.17Å; C302-F304 PolarHBondContact O-N 3.09Å; C302-F304 VanDerWaalsContact O-N 3.17Å; C302-S305 PolarHBondContact N-OG 3.23Å; C302-S305 WeakPolarHBondContact O-CB 3.28Å; C302-S305 PolarHBondContact O-N 2.88Å; C302-S305 PolarHBondContact O-OG 3.11Å | ||
| 303 | F | 90.5 | Very high | 89.3 | Confident | 141 Ų | 141 | 70.7 Ų | 70.7 | 62% | 0.618 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -38.4 | 176.5 | 174.1 | -101.3 | 0 | 0 | 0 | 112.6 | S305 I307 Y360 | F303-S305 VanDerWaalsContact C-N 3.35Å; F303-S305 PolarHBondContact O-N 3.07Å; F303-I307 HydrophobicContact CE1-CD1 4.36Å; F303-Y360 HydrophobicContact CE1-CE2 4.25Å |
| 304 | F | 94 | Very high | 89.5 | Confident | 29 Ų | 29 | 66.2 Ų | 66.2 | 13% | 0.127 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -11.7 | -178.2 | -61.3 | -69.8 | 0 | 0 | 0 | 114.4 | C302 E306 I307 I308 L356 C357 Y360 I365 | C302-F304 PolarHBondContact O-N 3.09Å; C302-F304 VanDerWaalsContact O-N 3.17Å; F304-E306 VanDerWaalsContact C-N 3.32Å; F304-E306 PolarHBondContact O-N 2.93Å; F304-I307 HydrophobicContact CD1-CD1 4.22Å; F304-I307 WeakPolarHBondContact O-CA 3.48Å; F304-I307 WeakPolarHBondContact O-CB 3.46Å; F304-I307 PolarHBondContact O-N 2.88Å; F304-I308 HydrophobicContact CB-CG2 4.48Å; F304-I308 WeakPolarHBondContact O-CG1 3.33Å; F304-I308 PolarHBondContact O-N 3.31Å; F304-L356 HydrophobicContact CB-CD1 3.99Å; F304-L356 HydrophobicContact CD1-CB 4.15Å; F304-L356 HydrophobicContact CD2-CB 3.81Å; F304-L356 HydrophobicContact CD2-CD1 4.17Å; F304-L356 HydrophobicContact CE1-CB 4.33Å; F304-L356 HydrophobicContact CE2-CB 3.99Å; F304-L356 HydrophobicContact CG-CB 3.91Å; F304-L356 HydrophobicContact CG-CD1 4.16Å; F304-L356 HydrophobicContact CZ-CB 4.25Å; F304-C357 HydrophobicContact CZ-CB 4.27Å; F304-Y360 HydrophobicContact CE1-CD2 4.18Å; F304-Y360 AromaticContact CE1-CG 3.96Å; F304-Y360 HydrophobicContact CE1-CG 3.96Å; F304-I365 HydrophobicContact CD1-CD1 3.94Å |
| 305 | S | 92 | Very high | 90 | Very high | 12 Ų | 12 | 63 Ų | 63 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.5 | -44.4 | -172.9 | -70.2 | 0 | 0 | 0 | 0 | 112.8 | R301 C302 F303 I307 N309 | R301-S305 WeakPolarHBondContact CA-OG 3.3Å; C302-S305 PolarHBondContact N-OG 3.23Å; C302-S305 WeakPolarHBondContact O-CB 3.28Å; C302-S305 PolarHBondContact O-N 2.88Å; C302-S305 PolarHBondContact O-OG 3.11Å; F303-S305 VanDerWaalsContact C-N 3.35Å; F303-S305 PolarHBondContact O-N 3.07Å; S305-I307 VanDerWaalsContact C-N 3.27Å; S305-I307 PolarHBondContact O-N 2.91Å; S305-N309 WeakPolarHBondContact O-CB 3.46Å; S305-N309 PolarHBondContact O-N 2.83Å; S305-N309 PolarHBondContact O-ND2 3.38Å |
| 306 | E | 90.9 | Very high | 90.8 | Very high | 122 Ų | 122 | 57 Ų | 57 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.1 | -31.7 | 178.3 | -66.9 | 179 | -171 | 0 | 0 | 112.5 | R301 F304 | R301-E306 IonicContact CZ-OE1 2.65Å; R301-E306 IonicContact NH2-OE1 2.84Å; R301-E306 PolarHBondContact NH2-OE1 2.79Å; F304-E306 VanDerWaalsContact C-N 3.32Å; F304-E306 PolarHBondContact O-N 2.93Å |
| 307 | I | 95.2 | Very high | 91.9 | Very high | 30 Ų | 30 | 53.7 Ų | 53.7 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -75 | -48.7 | -179.4 | -56.8 | 174.7 | 0 | 0 | 0 | 110 | F303 F304 S305 N310 Y360 I365 F366 | F303-I307 HydrophobicContact CE1-CD1 4.36Å; F304-I307 HydrophobicContact CD1-CD1 4.22Å; F304-I307 WeakPolarHBondContact O-CA 3.48Å; F304-I307 WeakPolarHBondContact O-CB 3.46Å; F304-I307 PolarHBondContact O-N 2.88Å; S305-I307 VanDerWaalsContact C-N 3.27Å; S305-I307 PolarHBondContact O-N 2.91Å; I307-N310 WeakPolarHBondContact O-CB 3.29Å; I307-N310 PolarHBondContact O-N 3.32Å; I307-Y360 HydrophobicContact CD1-CD2 3.65Å; I307-Y360 HydrophobicContact CD1-CE2 3.55Å; I307-I365 HydrophobicContact CB-CD1 4.46Å; I307-I365 HydrophobicContact CG2-CB 4.46Å; I307-I365 HydrophobicContact CG2-CD1 3.83Å; I307-I365 HydrophobicContact CG2-CG1 3.84Å; I307-I365 HydrophobicContact CG2-CG2 3.9Å; I307-F366 HydrophobicContact CD1-CE1 4.43Å; I307-F366 HydrophobicContact CG1-CE1 4.48Å; I307-F366 HydrophobicContact CG2-CD1 4.02Å; I307-F366 HydrophobicContact CG2-CE1 3.66Å; I307-F366 HydrophobicContact CG2-CZ 4.44Å |
| 308 | I | 95.7 | Very high | 92.7 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -76.9 | -23.7 | -176.3 | 65.6 | 176.9 | 0 | 0 | 0 | 113.3 | F304 D327 Y328 L329 L356 I365 | F304-I308 HydrophobicContact CB-CG2 4.48Å; F304-I308 WeakPolarHBondContact O-CG1 3.33Å; F304-I308 PolarHBondContact O-N 3.31Å; I308-D327 WeakPolarHBondContact O-CB 3.46Å; I308-Y328 HydrophobicContact CG2-CD1 4.08Å; I308-Y328 HydrophobicContact CG2-CG 4.43Å; I308-Y328 PolarHBondContact O-N 3.33Å; I308-L329 HydrophobicContact CB-CG 4.48Å; I308-L329 HydrophobicContact CD1-CD1 3.73Å; I308-L329 HydrophobicContact CD1-CG 4.41Å; I308-L356 HydrophobicContact CG2-CD1 4.38Å; I308-L356 HydrophobicContact CG2-CD2 4.04Å; I308-I365 HydrophobicContact CG2-CD1 3.95Å; I308-I365 HydrophobicContact CG2-CG1 4.32Å |
| 309 | N | 94.8 | Very high | 93.4 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.4 | 174.8 | -73.9 | -4.9 | 0 | 0 | 0 | 112.3 | G272 D296 S305 I311 | G272-N309 WeakPolarHBondContact CA-O 3.3Å; G272-N309 PolarHBondContact N-O 2.68Å; D296-N309 PolarHBondContact OD1-ND2 3.04Å; S305-N309 WeakPolarHBondContact O-CB 3.46Å; S305-N309 PolarHBondContact O-N 2.83Å; S305-N309 PolarHBondContact O-ND2 3.38Å; N309-I311 PolarHBondContact O-N 2.59Å |
| 310 | N | 97.1 | Very high | 94.2 | Very high | 53 Ų | 53 | 44.3 Ų | 44.3 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -58.2 | 121.9 | 176.2 | -172.4 | -11 | 0 | 0 | 0 | 110.2 | T253 S270 I307 S312 | T253-N310 WeakPolarHBondContact CG2-OD1 3.45Å; S270-N310 WeakPolarHBondContact O-CA 3.47Å; I307-N310 WeakPolarHBondContact O-CB 3.29Å; I307-N310 PolarHBondContact O-N 3.32Å; N310-S312 PolarHBondContact O-N 2.98Å |
| 311 | I | 98.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | trans | -78.2 | 117.4 | 178.9 | -69.4 | 163.6 | 0 | 0 | 0 | 108.6 | T253 S268 I274 N309 D313 R326 | T253-I311 WeakPolarHBondContact CB-O 3.46Å; T253-I311 PolarHBondContact OG1-O 2.9Å; S268-I311 WeakPolarHBondContact OG-CG2 3.19Å; I274-I311 HydrophobicContact CD1-CD1 4.23Å; I274-I311 HydrophobicContact CG1-CD1 3.6Å; N309-I311 PolarHBondContact O-N 2.59Å; I311-D313 VanDerWaalsContact CG2-O 3.31Å; I311-D313 WeakPolarHBondContact CG2-O 3.44Å; I311-R326 CarbonylContact C-O 3.56Å; I311-R326 VanDerWaalsContact CA-O 3.3Å; I311-R326 WeakPolarHBondContact CA-O 3.48Å | ||
| 312 | S | 98.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | trans | -80.1 | -34 | 178.9 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | N310 R326 F369 | N310-S312 PolarHBondContact O-N 2.98Å; S312-R326 PolarHBondContact N-O 2.91Å; S312-R326 WeakPolarHBondContact OG-CB 3.46Å; S312-R326 WeakPolarHBondContact OG-CG 3.49Å; S312-R326 PolarHBondContact OG-O 2.81Å; S312-F369 PolarHBondContact OG-O 3.25Å | ||
| 313 | D | 98.8 | Very high | 96.3 | Very high | 18 Ų | 18 | 39 Ų | 39 | 10% | 0.096 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 156.1 | -177.8 | -167.4 | 27.5 | 0 | 0 | 0 | 112.5 | I311 N315 S325 R326 E370 C371 | I311-D313 VanDerWaalsContact CG2-O 3.31Å; I311-D313 WeakPolarHBondContact CG2-O 3.44Å; D313-N315 PolarHBondContact OD2-ND2 2.82Å; D313-N315 VanDerWaalsContact OD2-ND2 3.11Å; D313-S325 WeakPolarHBondContact O-CA 3.44Å; D313-R326 HydrophobicContact CB-CB 4.5Å; D313-R326 PolarHBondContact O-N 2.86Å; D313-E370 HydrophobicContact CB-CB 4.49Å; D313-E370 HydrophobicContact CB-CG 4.48Å; D313-E370 WeakPolarHBondContact OD2-CA 3.44Å; D313-E370 WeakPolarHBondContact OD2-CB 3.34Å; D313-C371 PolarHBondContact OD2-N 2.81Å |
| 314 | L | 98.3 | Very high | 96.7 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 122.7 | -169.7 | -172 | 73.1 | 0 | 0 | 0 | 110.8 | A254 I266 I274 I323 L324 | A254-L314 HydrophobicContact CB-CB 3.84Å; I266-L314 HydrophobicContact CB-CD2 4.07Å; I266-L314 HydrophobicContact CD1-CD1 4.15Å; I266-L314 HydrophobicContact CD1-CD2 3.48Å; I266-L314 VanDerWaalsContact CD1-CD2 3.48Å; I266-L314 HydrophobicContact CD1-CG 3.6Å; I266-L314 HydrophobicContact CG1-CD2 3.53Å; I266-L314 HydrophobicContact CG1-CG 4.2Å; I274-L314 HydrophobicContact CD1-CD1 3.67Å; I274-L314 HydrophobicContact CG1-CD1 3.84Å; I274-L314 HydrophobicContact CG2-CD1 3.97Å; I274-L314 HydrophobicContact CG2-CD2 4.08Å; L314-I323 HydrophobicContact CD1-CG2 3.39Å; L314-I323 HydrophobicContact CG-CG2 4.15Å; L314-L324 CarbonylContact C-O 3.58Å; L314-L324 WeakPolarHBondContact CA-O 3.3Å |
| 315 | N | 98.5 | Very high | 96.9 | Very high | 15 Ų | 15 | 31 Ų | 31 | 8% | 0.08 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 133.1 | 179.5 | -78 | -72.2 | 0 | 0 | 0 | 113.5 | Q256 D313 L324 C371 W373 | Q256-N315 PolarHBondContact NE2-OD1 3.36Å; Q256-N315 VanDerWaalsContact OE1-CA 3.31Å; D313-N315 PolarHBondContact OD2-ND2 2.82Å; D313-N315 VanDerWaalsContact OD2-ND2 3.11Å; N315-L324 PolarHBondContact N-O 2.7Å; N315-L324 PolarHBondContact O-N 3.11Å; N315-C371 PolarHBondContact ND2-O 2.77Å; N315-W373 PolarHBondContact O-NE1 2.98Å |
| 316 | F | 98.7 | Very high | 97.3 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 6% | 0.057 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 140.8 | 164.2 | -78.4 | -72.9 | 0 | 0 | 0 | 111.4 | F257 H258 P259 I266 L276 I323 L336 W373 | F257-F316 WeakPolarHBondContact O-CD2 3.46Å; H258-F316 VanDerWaalsContact CA-CE2 3.5Å; H258-F316 HydrophobicContact CB-CE2 4.09Å; H258-F316 HydrophobicContact CB-CZ 4.12Å; H258-F316 AromaticContact CD2-CD1 3.99Å; H258-F316 AromaticContact CD2-CE1 3.57Å; H258-F316 AromaticContact CD2-CZ 3.75Å; P259-F316 HydrophobicContact CG-CB 4.26Å; I266-F316 HydrophobicContact CB-CE2 4.27Å; I266-F316 HydrophobicContact CB-CZ 4.14Å; I266-F316 HydrophobicContact CD1-CD1 4.33Å; I266-F316 HydrophobicContact CD1-CD2 3.79Å; I266-F316 HydrophobicContact CD1-CE1 4.06Å; I266-F316 HydrophobicContact CD1-CE2 3.51Å; I266-F316 HydrophobicContact CD1-CG 4.21Å; I266-F316 HydrophobicContact CD1-CZ 3.68Å; I266-F316 HydrophobicContact CG1-CD2 4.12Å; I266-F316 HydrophobicContact CG1-CE2 3.45Å; I266-F316 VanDerWaalsContact CG1-CE2 3.45Å; I266-F316 HydrophobicContact CG1-CZ 3.75Å; I266-F316 HydrophobicContact CG2-CE1 4.15Å; I266-F316 HydrophobicContact CG2-CE2 4.09Å; I266-F316 HydrophobicContact CG2-CZ 3.46Å; I266-F316 VanDerWaalsContact CG2-CZ 3.46Å; L276-F316 HydrophobicContact CD1-CZ 4.4Å; F316-I323 HydrophobicContact CD1-CG1 3.97Å; F316-I323 HydrophobicContact CE1-CD1 4.38Å; F316-I323 HydrophobicContact CE1-CG1 3.85Å; F316-L336 HydrophobicContact CE1-CD1 4.25Å; F316-L336 HydrophobicContact CE1-CD2 4.27Å; F316-W373 VanDerWaalsContact C-NE1 3.26Å; F316-W373 VanDerWaalsContact O-CD1 3.24Å; F316-W373 PolarHBondContact O-NE1 2.75Å |
| 317 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -58.1 | 156.2 | 161.8 | 56.5 | 0 | 0 | 0 | 0 | 111 | S319 G320 R321 Y322 W373 | S317-S319 VanDerWaalsContact C-N 3.25Å; S317-S319 PolarHBondContact O-N 2.85Å; S317-S319 PolarHBondContact OG-OG 2.87Å; S317-G320 WeakPolarHBondContact O-CA 3.42Å; S317-G320 PolarHBondContact O-N 3.42Å; S317-R321 PolarHBondContact OG-N 3.14Å; S317-Y322 PolarHBondContact N-O 3.45Å; S317-Y322 WeakPolarHBondContact OG-CA 3.41Å; S317-Y322 PolarHBondContact OG-N 2.82Å; S317-Y322 PolarHBondContact OG-O 3.17Å; S317-W373 VanDerWaalsContact N-NE1 3.17Å | ||
| 318 | H | 96.1 | Very high | 97.7 | Very high | 96 Ų | 96 | 24.3 Ų | 24.3 | 44% | 0.444 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -33.9 | 179.7 | -61.3 | -59.9 | 0 | 0 | 0 | 112.3 | G320 S374 P375 D377 | H318-G320 PolarHBondContact O-N 3.33Å; H318-S374 PolarHBondContact CD2-O 3.43Å; H318-S374 PolarHBondContact NE2-O 3.04Å; H318-P375 PolarHBondContact CD2-O 2.82Å; H318-P375 VanDerWaalsContact CD2-O 3.31Å; H318-D377 WeakPolarHBondContact CB-OD1 3.25Å; H318-D377 IonicContact CD2-OD1 2.75Å; H318-D377 PolarHBondContact CD2-OD1 3.49Å; H318-D377 IonicContact CG-OD1 3.13Å; H318-D377 PolarHBondContact N-OD1 3Å; H318-D377 PolarHBondContact N-OD2 3.31Å |
| 319 | S | 94.6 | Very high | 97.8 | Very high | 71 Ų | 71 | 24.2 Ų | 24.2 | 50% | 0.497 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15 | 171.4 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | S317 R321 D377 | S317-S319 VanDerWaalsContact C-N 3.25Å; S317-S319 PolarHBondContact O-N 2.85Å; S317-S319 PolarHBondContact OG-OG 2.87Å; S319-R321 PolarHBondContact O-N 2.75Å; S319-D377 WeakPolarHBondContact CB-OD2 3.4Å; S319-D377 PolarHBondContact N-OD2 3.21Å; S319-D377 PolarHBondContact OG-OD2 3.28Å |
| 320 | G | 97.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 71 | 1.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H258 S317 H318 L336 | H258-G320 WeakPolarHBondContact NE2-CA 3.42Å; H258-G320 PolarHBondContact NE2-O 2.99Å; S317-G320 WeakPolarHBondContact O-CA 3.42Å; S317-G320 PolarHBondContact O-N 3.42Å; H318-G320 PolarHBondContact O-N 3.33Å; G320-L336 WeakPolarHBondContact O-CD1 3.35Å |
| 321 | R | 97.3 | Very high | 98 | Very high | 80 Ų | 80 | 20.7 Ų | 20.7 | 30% | 0.302 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -76.5 | -36.9 | -176.2 | 171.9 | 58.2 | -177 | -175 | -1.1 | 113 | S317 S319 D335 L336 N337 | S317-R321 PolarHBondContact OG-N 3.14Å; S319-R321 PolarHBondContact O-N 2.75Å; R321-D335 VanDerWaalsContact CZ-CG 3.47Å; R321-D335 IonicContact CZ-OD1 2.83Å; R321-D335 IonicContact CZ-OD2 3.66Å; R321-D335 VanDerWaalsContact CZ-OD2 3.23Å; R321-D335 VanDerWaalsContact NE-CG 3.34Å; R321-D335 IonicContact NE-OD1 3.52Å; R321-D335 PolarHBondContact NE-OD1 3.48Å; R321-D335 IonicContact NE-OD2 2.84Å; R321-D335 PolarHBondContact NE-OD2 2.67Å; R321-D335 IonicContact NH1-OD1 3.98Å; R321-D335 IonicContact NH2-OD1 3.54Å; R321-D335 PolarHBondContact NH2-OD1 3.16Å; R321-D335 IonicContact NH2-OD2 3.15Å; R321-D335 PolarHBondContact NH2-OD2 2.84Å; R321-L336 WeakPolarHBondContact O-CG 3.02Å; R321-L336 PolarHBondContact O-N 3.23Å; R321-L336 VanDerWaalsContact O-N 3.16Å; R321-N337 PolarHBondContact NH1-ND2 3.27Å; R321-N337 PolarHBondContact NH1-OD1 3.01Å; R321-N337 PolarHBondContact NH2-ND2 2.76Å |
| 322 | Y | 98.6 | Very high | 98 | Very high | 62 Ų | 62 | 21.8 Ų | 21.8 | 24% | 0.243 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 155.7 | -172 | -54.9 | -78.6 | 0 | 0 | 0 | 111.6 | S317 V333 W334 D335 V343 W373 | S317-Y322 PolarHBondContact N-O 3.45Å; S317-Y322 WeakPolarHBondContact OG-CA 3.41Å; S317-Y322 PolarHBondContact OG-N 2.82Å; S317-Y322 PolarHBondContact OG-O 3.17Å; Y322-V333 HydrophobicContact CD1-CG1 4.04Å; Y322-V333 HydrophobicContact CG-CG1 4.23Å; Y322-W334 CarbonylContact C-O 3.55Å; Y322-W334 WeakPolarHBondContact CA-O 3.41Å; Y322-W334 WeakPolarHBondContact CB-O 3.43Å; Y322-D335 HydrophobicContact CD1-CB 3.93Å; Y322-D335 HydrophobicContact CE1-CB 3.92Å; Y322-D335 WeakPolarHBondContact CE1-OD2 3.1Å; Y322-V343 HydrophobicContact CD1-CG2 4.48Å; Y322-W373 HydrophobicContact CG-CH2 4.36Å |
| 323 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.4 | 171.4 | -56.5 | 166.3 | 0 | 0 | 0 | 107.8 | I266 I274 F292 L314 F316 V333 W334 L336 | I266-I323 HydrophobicContact CD1-CD1 4.14Å; I266-I323 HydrophobicContact CD1-CG1 4.02Å; I266-I323 HydrophobicContact CD1-CG2 3.74Å; I266-I323 HydrophobicContact CG2-CD1 3.94Å; I274-I323 HydrophobicContact CD1-CG2 4.28Å; I274-I323 HydrophobicContact CG2-CD1 4.31Å; F292-I323 HydrophobicContact CD2-CD1 4.38Å; F292-I323 HydrophobicContact CE1-CD1 4.42Å; F292-I323 HydrophobicContact CE2-CD1 4.1Å; F292-I323 HydrophobicContact CZ-CD1 4.14Å; L314-I323 HydrophobicContact CD1-CG2 3.39Å; L314-I323 HydrophobicContact CG-CG2 4.15Å; F316-I323 HydrophobicContact CD1-CG1 3.97Å; F316-I323 HydrophobicContact CE1-CD1 4.38Å; F316-I323 HydrophobicContact CE1-CG1 3.85Å; I323-V333 CarbonylContact O-C 3.48Å; I323-V333 WeakPolarHBondContact O-CA 3.28Å; I323-W334 HydrophobicContact CB-CB 4.21Å; I323-W334 PolarHBondContact N-O 3.26Å; I323-W334 PolarHBondContact O-N 3.15Å; I323-L336 HydrophobicContact CD1-CD2 3.51Å; I323-L336 HydrophobicContact CG1-CD2 3.92Å |
| 324 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.1 | 169.1 | 179.6 | 64.1 | 0 | 0 | 0 | 107.6 | L314 N315 L331 K332 V333 C371 W373 V380 | L314-L324 CarbonylContact C-O 3.58Å; L314-L324 WeakPolarHBondContact CA-O 3.3Å; N315-L324 PolarHBondContact N-O 2.7Å; N315-L324 PolarHBondContact O-N 3.11Å; L324-L331 HydrophobicContact CD1-CB 4.16Å; L324-L331 HydrophobicContact CD1-CD2 4.04Å; L324-L331 HydrophobicContact CG-CD2 4.33Å; L324-K332 WeakPolarHBondContact CA-O 3.39Å; L324-V333 HydrophobicContact CD1-CG2 4.12Å; L324-C371 HydrophobicContact CD2-CB 3.88Å; L324-C371 HydrophobicContact CG-CB 4.33Å; L324-W373 HydrophobicContact CB-CD2 4.36Å; L324-W373 VanDerWaalsContact CB-CE2 3.42Å; L324-W373 HydrophobicContact CB-CH2 4.43Å; L324-W373 HydrophobicContact CB-CZ2 3.5Å; L324-W373 VanDerWaalsContact CB-CZ2 3.5Å; L324-W373 VanDerWaalsContact CB-NE1 3.31Å; L324-V380 HydrophobicContact CD1-CB 4.23Å; L324-V380 HydrophobicContact CD1-CG1 4Å; L324-V380 HydrophobicContact CD1-CG2 4.46Å; L324-V380 HydrophobicContact CD2-CB 3.95Å; L324-V380 HydrophobicContact CD2-CG1 3.86Å |
| 325 | S | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.4 | 172.1 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | D313 L331 K332 W334 | D313-S325 WeakPolarHBondContact O-CA 3.44Å; S325-L331 WeakPolarHBondContact O-CA 3.46Å; S325-K332 PolarHBondContact N-O 3.22Å; S325-K332 PolarHBondContact O-N 3.19Å; S325-W334 PolarHBondContact OG-NE1 2.86Å |
| 326 | R | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.6 | 170 | -178.9 | 68.9 | -161.6 | -100.8 | -1.2 | 109.3 | I311 S312 D313 Y328 T330 L331 V348 H349 F369 C371 T382 G383 | I311-R326 CarbonylContact C-O 3.56Å; I311-R326 VanDerWaalsContact CA-O 3.3Å; I311-R326 WeakPolarHBondContact CA-O 3.48Å; S312-R326 PolarHBondContact N-O 2.91Å; S312-R326 WeakPolarHBondContact OG-CB 3.46Å; S312-R326 WeakPolarHBondContact OG-CG 3.49Å; S312-R326 PolarHBondContact OG-O 2.81Å; D313-R326 HydrophobicContact CB-CB 4.5Å; D313-R326 PolarHBondContact O-N 2.86Å; R326-Y328 PolarHBondContact NH2-O 3.44Å; R326-T330 WeakPolarHBondContact CD-O 3.44Å; R326-L331 HydrophobicContact CB-CD2 3.76Å; R326-L331 VanDerWaalsContact CD-CD2 3.42Å; R326-L331 HydrophobicContact CG-CD2 4.14Å; R326-V348 VanDerWaalsContact NH2-CG1 3.35Å; R326-H349 PolarHBondContact NH2-CE1 2.78Å; R326-H349 PolarHBondContact NH2-ND1 2.92Å; R326-F369 WeakPolarHBondContact CG-O 3.28Å; R326-C371 HydrophobicContact CB-CB 4.08Å; R326-T382 PolarHBondContact NH1-OG1 2.91Å; R326-G383 PolarHBondContact NH1-O 3.46Å |
| 327 | D | 97.7 | Very high | 97.8 | Very high | 11 Ų | 11 | 25.5 Ų | 25.5 | 6% | 0.059 | 13% | 0.127 | C | C | . | . | trans | -107.1 | 180 | 160.1 | 68.1 | 35.2 | 0 | 0 | 0 | 109 | I308 L329 T330 K332 | I308-D327 WeakPolarHBondContact O-CB 3.46Å; D327-L329 VanDerWaalsContact C-N 3.28Å; D327-L329 PolarHBondContact O-N 3.37Å; D327-L329 PolarHBondContact OD1-N 2.81Å; D327-L329 VanDerWaalsContact OD1-N 3.11Å; D327-T330 PolarHBondContact N-O 2.88Å; D327-T330 WeakPolarHBondContact OD1-CA 3.22Å; D327-T330 PolarHBondContact OD1-N 2.9Å; D327-T330 PolarHBondContact OD1-OG1 2.9Å; D327-T330 PolarHBondContact OD2-OG1 3.15Å; D327-K332 WeakPolarHBondContact OD2-CE 3.37Å; D327-K332 IonicContact OD2-NZ 2.65Å; D327-K332 PolarHBondContact OD2-NZ 3.14Å | ||
| 328 | Y | 97.7 | Very high | 97.7 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -57.6 | -44.8 | -173.8 | -170.9 | -106.4 | 0 | 0 | 0 | 111.5 | I308 R326 H349 L356 L359 I365 Y385 | I308-Y328 HydrophobicContact CG2-CD1 4.08Å; I308-Y328 HydrophobicContact CG2-CG 4.43Å; I308-Y328 PolarHBondContact O-N 3.33Å; R326-Y328 PolarHBondContact NH2-O 3.44Å; Y328-H349 WeakPolarHBondContact O-CB 3.45Å; Y328-H349 PolarHBondContact O-ND1 3.32Å; Y328-L356 HydrophobicContact CD1-CD2 4.34Å; Y328-L356 HydrophobicContact CE1-CD2 4.13Å; Y328-L359 HydrophobicContact CE1-CD1 4.17Å; Y328-L359 WeakPolarHBondContact OH-CD1 3.45Å; Y328-I365 HydrophobicContact CD1-CG1 4.25Å; Y328-I365 HydrophobicContact CD2-CG1 4.44Å; Y328-I365 WeakPolarHBondContact CD2-O 3.47Å; Y328-I365 HydrophobicContact CE1-CG1 4.15Å; Y328-I365 HydrophobicContact CE2-CG1 4.35Å; Y328-I365 HydrophobicContact CG-CG1 4.4Å; Y328-Y385 PolarHBondContact OH-OH 3.14Å |
| 329 | L | 96.9 | Very high | 97.6 | Very high | 10 Ų | 10 | 26.9 Ų | 26.9 | 5% | 0.052 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -90 | -25.7 | -172.4 | -63.1 | -175.6 | 0 | 0 | 0 | 114.1 | I308 D327 V348 H349 | I308-L329 HydrophobicContact CB-CG 4.48Å; I308-L329 HydrophobicContact CD1-CD1 3.73Å; I308-L329 HydrophobicContact CD1-CG 4.41Å; D327-L329 VanDerWaalsContact C-N 3.28Å; D327-L329 PolarHBondContact O-N 3.37Å; D327-L329 PolarHBondContact OD1-N 2.81Å; D327-L329 VanDerWaalsContact OD1-N 3.11Å; L329-V348 WeakPolarHBondContact O-CA 3.16Å; L329-V348 PolarHBondContact O-N 3.4Å; L329-H349 HydrophobicContact CD2-CB 4.22Å; L329-H349 WeakPolarHBondContact CD2-O 3.43Å; L329-H349 PolarHBondContact O-N 3.24Å |
| 330 | T | 97.9 | Very high | 97.5 | Very high | 13 Ų | 13 | 33.9 Ų | 33.9 | 8% | 0.08 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 155.6 | -162.9 | 69.1 | 0 | 0 | 0 | 0 | 114.4 | R326 D327 K332 T345 Y346 L347 | R326-T330 WeakPolarHBondContact CD-O 3.44Å; D327-T330 PolarHBondContact N-O 2.88Å; D327-T330 WeakPolarHBondContact OD1-CA 3.22Å; D327-T330 PolarHBondContact OD1-N 2.9Å; D327-T330 PolarHBondContact OD1-OG1 2.9Å; D327-T330 PolarHBondContact OD2-OG1 3.15Å; T330-K332 WeakPolarHBondContact OG1-CE 3.41Å; T330-T345 HydrophobicContact CG2-CG2 4.22Å; T330-Y346 CarbonylContact C-O 3.54Å; T330-Y346 WeakPolarHBondContact CA-O 3.26Å; T330-Y346 VanDerWaalsContact CB-O 3.28Å; T330-Y346 WeakPolarHBondContact CB-O 3.27Å; T330-L347 HydrophobicContact CG2-CD2 3.81Å |
| 331 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 139.7 | 157.2 | -73.1 | 173.8 | 0 | 0 | 0 | 109.1 | L324 S325 R326 T345 Y346 V348 C371 V380 T382 F392 | L324-L331 HydrophobicContact CD1-CB 4.16Å; L324-L331 HydrophobicContact CD1-CD2 4.04Å; L324-L331 HydrophobicContact CG-CD2 4.33Å; S325-L331 WeakPolarHBondContact O-CA 3.46Å; R326-L331 HydrophobicContact CB-CD2 3.76Å; R326-L331 VanDerWaalsContact CD-CD2 3.42Å; R326-L331 HydrophobicContact CG-CD2 4.14Å; L331-T345 CarbonylContact O-C 3.59Å; L331-T345 WeakPolarHBondContact O-CA 3.47Å; L331-Y346 HydrophobicContact CB-CD2 4.3Å; L331-Y346 PolarHBondContact N-O 2.82Å; L331-Y346 PolarHBondContact O-N 3.35Å; L331-V348 HydrophobicContact CB-CG2 4.43Å; L331-V348 HydrophobicContact CD1-CG2 4.4Å; L331-V348 HydrophobicContact CG-CG2 3.93Å; L331-C371 HydrophobicContact CD2-CB 3.39Å; L331-V380 HydrophobicContact CD1-CB 4.4Å; L331-V380 HydrophobicContact CD1-CG2 3.91Å; L331-T382 HydrophobicContact CD1-CG2 3.65Å; L331-T382 HydrophobicContact CD2-CG2 4.34Å; L331-T382 HydrophobicContact CG-CG2 3.99Å; L331-F392 HydrophobicContact CD1-CD2 3.85Å; L331-F392 HydrophobicContact CD1-CE2 3.89Å |
| 332 | K | 98.5 | Very high | 97.5 | Very high | 26 Ų | 26 | 39.3 Ų | 39.3 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133.7 | 177.2 | -67 | 174.1 | -168.9 | 171.8 | 0 | 110.2 | E294 L324 S325 D327 T330 W334 P342 E344 T345 | E294-K332 WeakPolarHBondContact OE2-CD 3.07Å; E294-K332 WeakPolarHBondContact OE2-CE 3.25Å; E294-K332 IonicContact OE2-NZ 3.94Å; E294-K332 PolarHBondContact OE2-NZ 2.94Å; L324-K332 WeakPolarHBondContact CA-O 3.39Å; S325-K332 PolarHBondContact N-O 3.22Å; S325-K332 PolarHBondContact O-N 3.19Å; D327-K332 WeakPolarHBondContact OD2-CE 3.37Å; D327-K332 IonicContact OD2-NZ 2.65Å; D327-K332 PolarHBondContact OD2-NZ 3.14Å; T330-K332 WeakPolarHBondContact OG1-CE 3.41Å; K332-W334 HydrophobicContact CD-CZ2 4.13Å; K332-P342 HydrophobicContact CB-CB 3.97Å; K332-P342 HydrophobicContact CD-CB 4.49Å; K332-P342 HydrophobicContact CD-CG 4.24Å; K332-P342 HydrophobicContact CG-CB 4.28Å; K332-P342 HydrophobicContact CG-CG 4.38Å; K332-E344 WeakPolarHBondContact CA-O 3.46Å; K332-T345 HydrophobicContact CG-CG2 4.12Å |
| 333 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.2 | 170.1 | -180 | 0 | 0 | 0 | 0 | 108.7 | Y322 I323 L324 P342 V343 E344 Y346 W373 | Y322-V333 HydrophobicContact CD1-CG1 4.04Å; Y322-V333 HydrophobicContact CG-CG1 4.23Å; I323-V333 CarbonylContact O-C 3.48Å; I323-V333 WeakPolarHBondContact O-CA 3.28Å; L324-V333 HydrophobicContact CD1-CG2 4.12Å; V333-P342 CarbonylContact O-C 3.35Å; V333-P342 WeakPolarHBondContact O-CA 3.3Å; V333-P342 WeakPolarHBondContact O-CB 3.34Å; V333-V343 HydrophobicContact CB-CG2 4.1Å; V333-V343 HydrophobicContact CG1-CG2 3.74Å; V333-V343 WeakPolarHBondContact O-CG2 3.47Å; V333-V343 PolarHBondContact O-N 2.86Å; V333-E344 HydrophobicContact CB-CB 3.94Å; V333-E344 HydrophobicContact CB-CG 4.36Å; V333-E344 HydrophobicContact CG2-CB 4.17Å; V333-E344 PolarHBondContact N-O 2.78Å; V333-E344 PolarHBondContact O-N 2.88Å; V333-Y346 HydrophobicContact CG2-CE2 4.18Å; V333-W373 HydrophobicContact CB-CH2 4.46Å; V333-W373 HydrophobicContact CG1-CH2 3.67Å; V333-W373 HydrophobicContact CG1-CZ2 4.46Å; V333-W373 HydrophobicContact CG2-CH2 4.02Å |
| 334 | W | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 143.6 | 176.2 | -53.6 | 83.7 | 0 | 0 | 0 | 109.8 | I274 F292 E294 Y322 I323 S325 K332 R341 P342 | I274-W334 HydrophobicContact CD1-CG 4.34Å; F292-W334 HydrophobicContact CB-CD2 4.03Å; F292-W334 HydrophobicContact CB-CE3 3.69Å; F292-W334 HydrophobicContact CB-CH2 4.43Å; F292-W334 HydrophobicContact CB-CZ3 3.89Å; F292-W334 HydrophobicContact CD1-CB 3.97Å; F292-W334 HydrophobicContact CD1-CD2 4.43Å; F292-W334 HydrophobicContact CD1-CE3 4.03Å; F292-W334 HydrophobicContact CD1-CG 4.45Å; F292-W334 HydrophobicContact CG-CE3 4.37Å; E294-W334 HydrophobicContact CG-CH2 3.95Å; Y322-W334 CarbonylContact C-O 3.55Å; Y322-W334 WeakPolarHBondContact CA-O 3.41Å; Y322-W334 WeakPolarHBondContact CB-O 3.43Å; I323-W334 HydrophobicContact CB-CB 4.21Å; I323-W334 PolarHBondContact N-O 3.26Å; I323-W334 PolarHBondContact O-N 3.15Å; S325-W334 PolarHBondContact OG-NE1 2.86Å; K332-W334 HydrophobicContact CD-CZ2 4.13Å; W334-R341 VanDerWaalsContact CZ3-C 3.45Å; W334-P342 HydrophobicContact CD2-CB 4.18Å; W334-P342 HydrophobicContact CE3-CB 4.32Å; W334-P342 HydrophobicContact CZ2-CB 4.43Å |
| 335 | D | 98.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.7 | 174.1 | 177.4 | -49.5 | 0 | 0 | 0 | 108.7 | F292 R321 Y322 N337 M338 V343 | F292-D335 WeakPolarHBondContact CE1-O 3.46Å; R321-D335 VanDerWaalsContact CZ-CG 3.47Å; R321-D335 IonicContact CZ-OD1 2.83Å; R321-D335 IonicContact CZ-OD2 3.66Å; R321-D335 VanDerWaalsContact CZ-OD2 3.23Å; R321-D335 VanDerWaalsContact NE-CG 3.34Å; R321-D335 IonicContact NE-OD1 3.52Å; R321-D335 PolarHBondContact NE-OD1 3.48Å; R321-D335 IonicContact NE-OD2 2.84Å; R321-D335 PolarHBondContact NE-OD2 2.67Å; R321-D335 IonicContact NH1-OD1 3.98Å; R321-D335 IonicContact NH2-OD1 3.54Å; R321-D335 PolarHBondContact NH2-OD1 3.16Å; R321-D335 IonicContact NH2-OD2 3.15Å; R321-D335 PolarHBondContact NH2-OD2 2.84Å; Y322-D335 HydrophobicContact CD1-CB 3.93Å; Y322-D335 HydrophobicContact CE1-CB 3.92Å; Y322-D335 WeakPolarHBondContact CE1-OD2 3.1Å; D335-N337 PolarHBondContact O-N 3.04Å; D335-N337 WeakPolarHBondContact OD1-CA 3.39Å; D335-N337 PolarHBondContact OD1-N 2.94Å; D335-M338 HydrophobicContact CB-CB 4.21Å; D335-M338 HydrophobicContact CB-CE 3.76Å; D335-M338 CarbonylContact O-C 3.02Å; D335-M338 PolarHBondContact O-N 2.84Å; D335-M338 WeakPolarHBondContact OD2-CE 3.3Å; D335-V343 HydrophobicContact CB-CG1 3.73Å; D335-V343 HydrophobicContact CB-CG2 4.38Å |
| 336 | L | 97.4 | Very high | 97.3 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.1 | -177.4 | -71.8 | -176.2 | 0 | 0 | 0 | 114.9 | L276 L290 F292 F316 G320 R321 I323 | L276-L336 HydrophobicContact CD2-CD2 4.36Å; L290-L336 VanDerWaalsContact CD1-O 3.23Å; L290-L336 WeakPolarHBondContact CD1-O 3.46Å; F292-L336 HydrophobicContact CE1-CD2 4.34Å; F292-L336 HydrophobicContact CE2-CD2 4.38Å; F292-L336 HydrophobicContact CZ-CD2 3.67Å; F316-L336 HydrophobicContact CE1-CD1 4.25Å; F316-L336 HydrophobicContact CE1-CD2 4.27Å; G320-L336 WeakPolarHBondContact O-CD1 3.35Å; R321-L336 WeakPolarHBondContact O-CG 3.02Å; R321-L336 PolarHBondContact O-N 3.23Å; R321-L336 VanDerWaalsContact O-N 3.16Å; I323-L336 HydrophobicContact CD1-CD2 3.51Å; I323-L336 HydrophobicContact CG1-CD2 3.92Å |
| 337 | N | 96.6 | Very high | 97.3 | Very high | 118 Ų | 118 | 49.1 Ų | 49.1 | 63% | 0.631 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -4.3 | 175.4 | -67 | -0.9 | 0 | 0 | 0 | 113.5 | R321 D335 P339 | R321-N337 PolarHBondContact NH1-ND2 3.27Å; R321-N337 PolarHBondContact NH1-OD1 3.01Å; R321-N337 PolarHBondContact NH2-ND2 2.76Å; D335-N337 PolarHBondContact O-N 3.04Å; D335-N337 WeakPolarHBondContact OD1-CA 3.39Å; D335-N337 PolarHBondContact OD1-N 2.94Å; N337-P339 VanDerWaalsContact C-CD 3.48Å |
| 338 | M | 95.7 | Very high | 97.2 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 49% | 0.488 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -129.5 | 66.3 | -179.4 | -60.6 | -172.6 | -75.7 | 0 | 0 | 111.3 | D335 R340 V343 | D335-M338 HydrophobicContact CB-CB 4.21Å; D335-M338 HydrophobicContact CB-CE 3.76Å; D335-M338 CarbonylContact O-C 3.02Å; D335-M338 PolarHBondContact O-N 2.84Å; D335-M338 WeakPolarHBondContact OD2-CE 3.3Å; M338-R340 VanDerWaalsContact C-N 3.27Å; M338-R340 PolarHBondContact O-N 3.03Å; M338-V343 HydrophobicContact CE-CG1 3.53Å |
| 339 | P | 94.3 | Very high | 97.2 | Very high | 27 Ų | 27 | 48 Ų | 48 | 18% | 0.175 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -11.5 | -170.1 | 29.7 | -38 | 0 | 0 | 0 | 115.5 | L290 S291 F292 N337 R341 | L290-P339 HydrophobicContact CD2-CG 4.4Å; S291-P339 WeakPolarHBondContact O-CB 3.16Å; F292-P339 VanDerWaalsContact CD1-CA 3.47Å; F292-P339 HydrophobicContact CD1-CB 3.65Å; F292-P339 HydrophobicContact CE1-CB 3.65Å; F292-P339 HydrophobicContact CG-CB 4.14Å; F292-P339 HydrophobicContact CZ-CB 4.16Å; N337-P339 VanDerWaalsContact C-CD 3.48Å; P339-R341 VanDerWaalsContact C-N 3.31Å; P339-R341 PolarHBondContact O-N 3.16Å |
| 340 | R | 93.4 | Very high | 97 | Very high | 218 Ų | 218 | 51 Ų | 51 | 82% | 0.823 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.7 | -169.3 | -70.1 | -172.8 | 171.2 | 95.9 | 0.9 | 115 | M338 | M338-R340 VanDerWaalsContact C-N 3.27Å; M338-R340 PolarHBondContact O-N 3.03Å |
| 341 | R | 96.1 | Very high | 96.7 | Very high | 183 Ų | 183 | 51.6 Ų | 51.6 | 69% | 0.691 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -164.9 | 157.2 | 179.6 | 70.7 | 175.9 | 92.2 | 103.4 | -1.5 | 109.2 | W334 P339 | W334-R341 VanDerWaalsContact CZ3-C 3.45Å; P339-R341 VanDerWaalsContact C-N 3.31Å; P339-R341 PolarHBondContact O-N 3.16Å |
| 342 | P | 97.9 | Very high | 96.5 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | trans | -61.8 | 145.4 | 171.3 | 28.1 | -36 | 0 | 0 | 0 | 110.9 | E294 K332 V333 W334 T345 | E294-P342 HydrophobicContact CG-CG 4.29Å; K332-P342 HydrophobicContact CB-CB 3.97Å; K332-P342 HydrophobicContact CD-CB 4.49Å; K332-P342 HydrophobicContact CD-CG 4.24Å; K332-P342 HydrophobicContact CG-CB 4.28Å; K332-P342 HydrophobicContact CG-CG 4.38Å; V333-P342 CarbonylContact O-C 3.35Å; V333-P342 WeakPolarHBondContact O-CA 3.3Å; V333-P342 WeakPolarHBondContact O-CB 3.34Å; W334-P342 HydrophobicContact CD2-CB 4.18Å; W334-P342 HydrophobicContact CE3-CB 4.32Å; W334-P342 HydrophobicContact CZ2-CB 4.43Å; P342-T345 WeakPolarHBondContact CG-OG1 3.42Å | ||
| 343 | V | 97.6 | Very high | 96.2 | Very high | 58 Ų | 58 | 56.4 Ų | 56.4 | 35% | 0.352 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -81 | -26.3 | 173.6 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | Y322 V333 D335 M338 | Y322-V343 HydrophobicContact CD1-CG2 4.48Å; V333-V343 HydrophobicContact CB-CG2 4.1Å; V333-V343 HydrophobicContact CG1-CG2 3.74Å; V333-V343 WeakPolarHBondContact O-CG2 3.47Å; V333-V343 PolarHBondContact O-N 2.86Å; D335-V343 HydrophobicContact CB-CG1 3.73Å; D335-V343 HydrophobicContact CB-CG2 4.38Å; M338-V343 HydrophobicContact CE-CG1 3.53Å |
| 344 | E | 97.8 | Very high | 95.8 | Very high | 34 Ų | 34 | 62.7 Ų | 62.7 | 16% | 0.159 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 140.6 | 176.4 | -53.5 | 156.3 | -144.1 | 0 | 0 | 109.1 | K332 V333 Y346 R394 G395 | K332-E344 WeakPolarHBondContact CA-O 3.46Å; V333-E344 HydrophobicContact CB-CB 3.94Å; V333-E344 HydrophobicContact CB-CG 4.36Å; V333-E344 HydrophobicContact CG2-CB 4.17Å; V333-E344 PolarHBondContact N-O 2.78Å; V333-E344 PolarHBondContact O-N 2.88Å; E344-Y346 HydrophobicContact CB-CE2 3.77Å; E344-Y346 PolarHBondContact OE2-OH 2.84Å; E344-R394 IonicContact OE1-CZ 3.42Å; E344-R394 IonicContact OE1-NE 2.89Å; E344-R394 PolarHBondContact OE1-NE 3.38Å; E344-R394 IonicContact OE1-NH2 3.74Å; E344-R394 PolarHBondContact OE1-NH2 2.87Å; E344-R394 IonicContact OE2-CZ 2.91Å; E344-R394 IonicContact OE2-NE 2.78Å; E344-R394 PolarHBondContact OE2-NE 3.21Å; E344-R394 VanDerWaalsContact OE2-NE 3.13Å; E344-R394 IonicContact OE2-NH2 3.3Å; E344-G395 PolarHBondContact OE2-N 2.9Å |
| 345 | T | 97.8 | Very high | 95.5 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 126.6 | 175.5 | -58.6 | 0 | 0 | 0 | 0 | 109.1 | T330 L331 K332 P342 | T330-T345 HydrophobicContact CG2-CG2 4.22Å; L331-T345 CarbonylContact O-C 3.59Å; L331-T345 WeakPolarHBondContact O-CA 3.47Å; K332-T345 HydrophobicContact CG-CG2 4.12Å; P342-T345 WeakPolarHBondContact CG-OG1 3.42Å |
| 346 | Y | 98.3 | Very high | 95.4 | Very high | 16 Ų | 16 | 64.1 Ų | 64.1 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.5 | -179.2 | -55.8 | -78.5 | 0 | 0 | 0 | 110.5 | T330 L331 V333 E344 V380 F392 R394 G395 | T330-Y346 CarbonylContact C-O 3.54Å; T330-Y346 WeakPolarHBondContact CA-O 3.26Å; T330-Y346 VanDerWaalsContact CB-O 3.28Å; T330-Y346 WeakPolarHBondContact CB-O 3.27Å; L331-Y346 HydrophobicContact CB-CD2 4.3Å; L331-Y346 PolarHBondContact N-O 2.82Å; L331-Y346 PolarHBondContact O-N 3.35Å; V333-Y346 HydrophobicContact CG2-CE2 4.18Å; E344-Y346 HydrophobicContact CB-CE2 3.77Å; E344-Y346 PolarHBondContact OE2-OH 2.84Å; Y346-V380 HydrophobicContact CD2-CG2 4.15Å; Y346-V380 HydrophobicContact CE2-CG2 4.15Å; Y346-F392 HydrophobicContact CD1-CB 3.82Å; Y346-F392 AromaticContact CD1-CD1 3.56Å; Y346-F392 HydrophobicContact CD1-CD1 3.56Å; Y346-F392 HydrophobicContact CD1-CE1 4.39Å; Y346-F392 AromaticContact CD1-CG 3.87Å; Y346-F392 HydrophobicContact CD1-CG 3.87Å; Y346-F392 HydrophobicContact CD2-CB 4.47Å; Y346-F392 HydrophobicContact CE1-CB 4.08Å; Y346-F392 HydrophobicContact CG-CB 4.05Å; Y346-F392 AromaticContact CG-CD1 3.78Å; Y346-F392 HydrophobicContact CG-CD1 3.78Å; Y346-F392 HydrophobicContact CG-CD2 4.47Å; Y346-F392 HydrophobicContact CG-CE1 4.38Å; Y346-F392 AromaticContact CG-CG 3.85Å; Y346-F392 HydrophobicContact CG-CG 3.85Å; Y346-R394 VanDerWaalsContact OH-CA 3.27Å; Y346-R394 WeakPolarHBondContact OH-CA 3.5Å; Y346-G395 PolarHBondContact OH-N 3.23Å |
| 347 | L | 97 | Very high | 95.2 | Very high | 93 Ų | 93 | 66.8 Ų | 66.8 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 119.5 | -179.9 | -55.8 | -177.2 | 0 | 0 | 0 | 110 | T330 D350 R390 | T330-L347 HydrophobicContact CG2-CD2 3.81Å; L347-D350 HydrophobicContact CB-CB 4.11Å; L347-D350 HydrophobicContact CD1-CB 4.28Å; L347-R390 PolarHBondContact O-NH1 3.14Å |
| 348 | V | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -105.3 | -54.3 | -178.8 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | R326 L329 L331 Y351 T382 R390 F392 | R326-V348 VanDerWaalsContact NH2-CG1 3.35Å; L329-V348 WeakPolarHBondContact O-CA 3.16Å; L329-V348 PolarHBondContact O-N 3.4Å; L331-V348 HydrophobicContact CB-CG2 4.43Å; L331-V348 HydrophobicContact CD1-CG2 4.4Å; L331-V348 HydrophobicContact CG-CG2 3.93Å; V348-Y351 WeakPolarHBondContact O-CE1 3.21Å; V348-T382 HydrophobicContact CG1-CG2 3.83Å; V348-T382 HydrophobicContact CG2-CG2 3.91Å; V348-R390 PolarHBondContact O-NH1 2.81Å; V348-F392 HydrophobicContact CG2-CE2 3.99Å; V348-F392 HydrophobicContact CG2-CZ 3.96Å |
| 349 | H | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -118.4 | 19.1 | -173.5 | -74.6 | 169.5 | 0 | 0 | 0 | 112.7 | R326 Y328 L329 Y351 F352 F369 S384 Y385 | R326-H349 PolarHBondContact NH2-CE1 2.78Å; R326-H349 PolarHBondContact NH2-ND1 2.92Å; Y328-H349 WeakPolarHBondContact O-CB 3.45Å; Y328-H349 PolarHBondContact O-ND1 3.32Å; L329-H349 HydrophobicContact CD2-CB 4.22Å; L329-H349 WeakPolarHBondContact CD2-O 3.43Å; L329-H349 PolarHBondContact O-N 3.24Å; H349-Y351 PolarHBondContact CD2-OH 2.56Å; H349-Y351 PolarHBondContact O-N 2.75Å; H349-Y351 VanDerWaalsContact O-N 3.1Å; H349-F352 HydrophobicContact CB-CD2 3.88Å; H349-F352 AromaticContact CG-CD2 3.96Å; H349-F352 WeakPolarHBondContact O-CB 3.31Å; H349-F352 PolarHBondContact O-N 3.13Å; H349-F369 AromaticContact CE1-CD2 3.83Å; H349-F369 AromaticContact CE1-CE2 3.58Å; H349-F369 AromaticContact CE1-CZ 3.94Å; H349-S384 WeakPolarHBondContact NE2-CB 3.45Å; H349-S384 PolarHBondContact NE2-OG 2.94Å; H349-Y385 AromaticContact CE1-CD2 3.96Å; H349-Y385 AromaticContact CE1-CE2 3.83Å |
| 350 | D | 92.5 | Very high | 95.3 | Very high | 71 Ų | 71 | 62 Ų | 62 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -57.5 | -28.9 | -179 | -173.5 | 64.8 | 0 | 0 | 0 | 113.4 | L347 F352 R353 | L347-D350 HydrophobicContact CB-CB 4.11Å; L347-D350 HydrophobicContact CD1-CB 4.28Å; D350-F352 PolarHBondContact O-N 3.35Å; D350-F352 VanDerWaalsContact O-N 3.13Å; D350-R353 WeakPolarHBondContact O-CB 3.11Å; D350-R353 PolarHBondContact O-N 3.49Å |
| 351 | Y | 92.7 | Very high | 95.4 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 11% | 0.106 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -66.3 | -11.9 | 174.4 | 55.8 | -98.3 | 0 | 0 | 0 | 114.2 | V348 H349 S384 V422 V450 M453 | V348-Y351 WeakPolarHBondContact O-CE1 3.21Å; H349-Y351 PolarHBondContact CD2-OH 2.56Å; H349-Y351 PolarHBondContact O-N 2.75Å; H349-Y351 VanDerWaalsContact O-N 3.1Å; Y351-S384 PolarHBondContact OH-OG 3.15Å; Y351-V422 HydrophobicContact CD1-CB 4.22Å; Y351-V422 HydrophobicContact CD1-CG1 4.18Å; Y351-V422 HydrophobicContact CD2-CB 4.44Å; Y351-V422 HydrophobicContact CD2-CG1 3.61Å; Y351-V422 HydrophobicContact CE1-CB 4.29Å; Y351-V422 HydrophobicContact CE1-CG1 4.45Å; Y351-V422 HydrophobicContact CE1-CG2 4.29Å; Y351-V422 HydrophobicContact CE2-CB 4.45Å; Y351-V422 HydrophobicContact CE2-CG1 3.88Å; Y351-V422 HydrophobicContact CE2-CG2 4.33Å; Y351-V422 HydrophobicContact CG-CB 4.3Å; Y351-V422 HydrophobicContact CG-CG1 3.75Å; Y351-V450 HydrophobicContact CD2-CB 4.29Å; Y351-V450 HydrophobicContact CD2-CG2 3.68Å; Y351-V450 HydrophobicContact CE2-CG2 4.28Å; Y351-M453 HydrophobicContact CE2-CE 4.39Å; Y351-M453 HydrophobicContact CE2-SD 3.73Å |
| 352 | F | 94.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -90.5 | -3 | 170.9 | -72.5 | -58.4 | 0 | 0 | 0 | 113.8 | H349 D350 T354 K355 L356 L359 Y385 V450 M453 L455 | H349-F352 HydrophobicContact CB-CD2 3.88Å; H349-F352 AromaticContact CG-CD2 3.96Å; H349-F352 WeakPolarHBondContact O-CB 3.31Å; H349-F352 PolarHBondContact O-N 3.13Å; D350-F352 PolarHBondContact O-N 3.35Å; D350-F352 VanDerWaalsContact O-N 3.13Å; F352-T354 PolarHBondContact O-N 2.78Å; F352-T354 VanDerWaalsContact O-N 3.12Å; F352-K355 HydrophobicContact CD1-CD 4.44Å; F352-K355 CarbonylContact O-C 3.58Å; F352-K355 WeakPolarHBondContact O-CA 3.41Å; F352-K355 WeakPolarHBondContact O-CB 3.37Å; F352-K355 PolarHBondContact O-N 2.91Å; F352-L356 PolarHBondContact O-N 2.91Å; F352-L359 HydrophobicContact CB-CD1 3.61Å; F352-L359 HydrophobicContact CD1-CD1 4Å; F352-L359 HydrophobicContact CG-CD1 3.89Å; F352-Y385 HydrophobicContact CD2-CD2 4.48Å; F352-Y385 AromaticContact CE2-CD2 3.54Å; F352-Y385 HydrophobicContact CE2-CD2 3.54Å; F352-Y385 HydrophobicContact CE2-CE2 4.03Å; F352-Y385 AromaticContact CZ-CD2 3.81Å; F352-Y385 HydrophobicContact CZ-CD2 3.81Å; F352-Y385 HydrophobicContact CZ-CE2 4.47Å; F352-Y385 HydrophobicContact CZ-CG 4.49Å; F352-V450 HydrophobicContact CD1-CG2 3.56Å; F352-V450 HydrophobicContact CE1-CG2 3.48Å; F352-V450 VanDerWaalsContact CE1-CG2 3.48Å; F352-V450 HydrophobicContact CG-CG2 4.48Å; F352-V450 HydrophobicContact CZ-CG2 4.35Å; F352-M453 HydrophobicContact CE1-SD 4.3Å; F352-M453 HydrophobicContact CE2-SD 4.49Å; F352-M453 HydrophobicContact CZ-CE 4Å; F352-M453 HydrophobicContact CZ-SD 3.72Å; F352-L455 HydrophobicContact CE1-CD2 4.01Å; F352-L455 HydrophobicContact CZ-CD2 3.88Å |
| 353 | R | 91.6 | Very high | 95.3 | Very high | 125 Ų | 125 | 59.7 Ų | 59.7 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -57.3 | -32.9 | -174.3 | -171.4 | 174.4 | -175.5 | 81 | 3.4 | 113.6 | D350 K355 L356 | D350-R353 WeakPolarHBondContact O-CB 3.11Å; D350-R353 PolarHBondContact O-N 3.49Å; R353-K355 VanDerWaalsContact C-N 3.26Å; R353-K355 PolarHBondContact O-N 3.24Å; R353-L356 WeakPolarHBondContact O-CG 3.28Å |
| 354 | T | 91 | Very high | 95.3 | Very high | 131 Ų | 131 | 57.5 Ų | 57.5 | 80% | 0.804 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -80.9 | -4.8 | 176.4 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | F352 | F352-T354 PolarHBondContact O-N 2.78Å; F352-T354 VanDerWaalsContact O-N 3.12Å |
| 355 | K | 92.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 56.1 Ų | 56.1 | 13% | 0.13 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -115.9 | 8.3 | -175.9 | -55.2 | -159.2 | -171.3 | -171.1 | 0 | 114.1 | F352 R353 C357 A358 L359 V450 E451 | F352-K355 HydrophobicContact CD1-CD 4.44Å; F352-K355 CarbonylContact O-C 3.58Å; F352-K355 WeakPolarHBondContact O-CA 3.41Å; F352-K355 WeakPolarHBondContact O-CB 3.37Å; F352-K355 PolarHBondContact O-N 2.91Å; R353-K355 VanDerWaalsContact C-N 3.26Å; R353-K355 PolarHBondContact O-N 3.24Å; K355-C357 PolarHBondContact O-N 3.5Å; K355-C357 VanDerWaalsContact O-N 3.09Å; K355-A358 PolarHBondContact O-N 2.92Å; K355-L359 HydrophobicContact CB-CD1 4.35Å; K355-L359 PolarHBondContact O-N 2.96Å; K355-V450 HydrophobicContact CD-CG2 4.28Å; K355-V450 PolarHBondContact NZ-O 3.39Å; K355-V450 VanDerWaalsContact NZ-O 3.09Å; K355-E451 VanDerWaalsContact CE-CD 3.47Å; K355-E451 WeakPolarHBondContact CE-OE1 3.14Å; K355-E451 IonicContact NZ-OE1 2.7Å; K355-E451 PolarHBondContact NZ-OE1 3.21Å; K355-E451 IonicContact NZ-OE2 3.7Å; K355-E451 PolarHBondContact NZ-OE2 2.78Å |
| 356 | L | 94.9 | Very high | 95.2 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.5 | -33.4 | -176.2 | -64.5 | 176 | 0 | 0 | 0 | 112.7 | F304 I308 Y328 F352 R353 L359 Y360 I365 | F304-L356 HydrophobicContact CB-CD1 3.99Å; F304-L356 HydrophobicContact CD1-CB 4.15Å; F304-L356 HydrophobicContact CD2-CB 3.81Å; F304-L356 HydrophobicContact CD2-CD1 4.17Å; F304-L356 HydrophobicContact CE1-CB 4.33Å; F304-L356 HydrophobicContact CE2-CB 3.99Å; F304-L356 HydrophobicContact CG-CB 3.91Å; F304-L356 HydrophobicContact CG-CD1 4.16Å; F304-L356 HydrophobicContact CZ-CB 4.25Å; I308-L356 HydrophobicContact CG2-CD1 4.38Å; I308-L356 HydrophobicContact CG2-CD2 4.04Å; Y328-L356 HydrophobicContact CD1-CD2 4.34Å; Y328-L356 HydrophobicContact CE1-CD2 4.13Å; F352-L356 PolarHBondContact O-N 2.91Å; R353-L356 WeakPolarHBondContact O-CG 3.28Å; L356-L359 HydrophobicContact CD2-CD1 4.48Å; L356-L359 PolarHBondContact O-N 2.74Å; L356-Y360 VanDerWaalsContact O-CB 3.23Å; L356-Y360 WeakPolarHBondContact O-CB 3.47Å; L356-Y360 PolarHBondContact O-N 2.74Å; L356-I365 HydrophobicContact CB-CD1 4.37Å; L356-I365 HydrophobicContact CD2-CD1 3.95Å |
| 357 | C | 94.8 | Very high | 95.2 | Very high | 76 Ų | 76 | 58 Ų | 58 | 51% | 0.514 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 173.6 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | F304 K355 L359 Y360 E361 | F304-C357 HydrophobicContact CZ-CB 4.27Å; K355-C357 PolarHBondContact O-N 3.5Å; K355-C357 VanDerWaalsContact O-N 3.09Å; C357-L359 VanDerWaalsContact C-N 3.32Å; C357-L359 PolarHBondContact O-N 2.84Å; C357-Y360 WeakPolarHBondContact O-CB 3.47Å; C357-Y360 PolarHBondContact O-N 3.45Å; C357-E361 WeakPolarHBondContact O-CG 3.43Å; C357-E361 PolarHBondContact O-N 3.03Å |
| 358 | A | 94.5 | Very high | 95.2 | Very high | 48 Ų | 48 | 59 Ų | 59 | 40% | 0.397 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67 | -34.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | K355 Y360 E361 N362 | K355-A358 PolarHBondContact O-N 2.92Å; A358-Y360 VanDerWaalsContact C-N 3.32Å; A358-E361 PolarHBondContact O-N 2.65Å; A358-N362 PolarHBondContact O-N 2.77Å |
| 359 | L | 96 | Very high | 95.3 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.5 | -31.5 | 175.5 | -69.2 | 166.5 | 0 | 0 | 0 | 112.6 | Y328 F352 K355 L356 C357 D363 C364 I365 L455 | Y328-L359 HydrophobicContact CE1-CD1 4.17Å; Y328-L359 WeakPolarHBondContact OH-CD1 3.45Å; F352-L359 HydrophobicContact CB-CD1 3.61Å; F352-L359 HydrophobicContact CD1-CD1 4Å; F352-L359 HydrophobicContact CG-CD1 3.89Å; K355-L359 HydrophobicContact CB-CD1 4.35Å; K355-L359 PolarHBondContact O-N 2.96Å; L356-L359 HydrophobicContact CD2-CD1 4.48Å; L356-L359 PolarHBondContact O-N 2.74Å; C357-L359 VanDerWaalsContact C-N 3.32Å; C357-L359 PolarHBondContact O-N 2.84Å; L359-D363 CarbonylContact O-C 3.56Å; L359-D363 PolarHBondContact O-N 2.99Å; L359-C364 HydrophobicContact CD2-CB 3.82Å; L359-C364 PolarHBondContact O-N 2.97Å; L359-I365 HydrophobicContact CB-CB 4.12Å; L359-I365 PolarHBondContact O-N 2.79Å; L359-L455 HydrophobicContact CD2-CD1 3.65Å; L359-L455 HydrophobicContact CD2-CD2 4.39Å |
| 360 | Y | 97.1 | Very high | 95.4 | Very high | 93 Ų | 93 | 60 Ų | 60 | 37% | 0.365 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 172.9 | 179 | -91.4 | 0 | 0 | 0 | 111.9 | F303 F304 I307 L356 C357 A358 N362 D363 I365 F366 | F303-Y360 HydrophobicContact CE1-CE2 4.25Å; F304-Y360 HydrophobicContact CE1-CD2 4.18Å; F304-Y360 AromaticContact CE1-CG 3.96Å; F304-Y360 HydrophobicContact CE1-CG 3.96Å; I307-Y360 HydrophobicContact CD1-CD2 3.65Å; I307-Y360 HydrophobicContact CD1-CE2 3.55Å; L356-Y360 VanDerWaalsContact O-CB 3.23Å; L356-Y360 WeakPolarHBondContact O-CB 3.47Å; L356-Y360 PolarHBondContact O-N 2.74Å; C357-Y360 WeakPolarHBondContact O-CB 3.47Å; C357-Y360 PolarHBondContact O-N 3.45Å; A358-Y360 VanDerWaalsContact C-N 3.32Å; Y360-N362 VanDerWaalsContact C-N 3.26Å; Y360-N362 PolarHBondContact O-N 3.15Å; Y360-D363 PolarHBondContact O-N 2.87Å; Y360-I365 HydrophobicContact CD2-CG2 4.07Å; Y360-F366 HydrophobicContact CD2-CE2 4.22Å; Y360-F366 AromaticContact CD2-CZ 3.85Å; Y360-F366 HydrophobicContact CD2-CZ 3.85Å; Y360-F366 HydrophobicContact CE2-CE2 4.31Å; Y360-F366 AromaticContact CE2-CZ 3.7Å; Y360-F366 HydrophobicContact CE2-CZ 3.7Å |
| 361 | E | 96.6 | Very high | 95.7 | Very high | 150 Ų | 150 | 56.6 Ų | 56.6 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.7 | -31.5 | 176.7 | -74.2 | 174.1 | 179.5 | 0 | 0 | 113.3 | C357 A358 | C357-E361 WeakPolarHBondContact O-CG 3.43Å; C357-E361 PolarHBondContact O-N 3.03Å; A358-E361 PolarHBondContact O-N 2.65Å |
| 362 | N | 94.2 | Very high | 96 | Very high | 108 Ų | 108 | 56.7 Ų | 56.7 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 16.4 | 179.4 | -64.6 | -22.7 | 0 | 0 | 0 | 113.3 | A358 Y360 C364 | A358-N362 PolarHBondContact O-N 2.77Å; Y360-N362 VanDerWaalsContact C-N 3.26Å; Y360-N362 PolarHBondContact O-N 3.15Å; N362-C364 PolarHBondContact O-N 2.73Å; N362-C364 PolarHBondContact O-SG 2.98Å; N362-C364 VanDerWaalsContact O-SG 3.38Å |
| 363 | D | 97 | Very high | 96.2 | Very high | 109 Ų | 109 | 56.8 Ų | 56.8 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 1 | -178.8 | -62.2 | -43.3 | 0 | 0 | 0 | 116.6 | L359 Y360 I365 F366 | L359-D363 CarbonylContact O-C 3.56Å; L359-D363 PolarHBondContact O-N 2.99Å; Y360-D363 PolarHBondContact O-N 2.87Å; D363-I365 PolarHBondContact O-N 3.06Å; D363-F366 HydrophobicContact CB-CD2 4.1Å; D363-F366 WeakPolarHBondContact O-CB 3.21Å; D363-F366 WeakPolarHBondContact O-CD2 3.47Å; D363-F366 PolarHBondContact O-N 3.32Å |
| 364 | C | 97.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 50.9 Ų | 50.9 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -61.4 | -31.4 | -179 | -67.2 | 0 | 0 | 0 | 0 | 111.5 | L359 N362 F366 D367 Y385 | L359-C364 HydrophobicContact CD2-CB 3.82Å; L359-C364 PolarHBondContact O-N 2.97Å; N362-C364 PolarHBondContact O-N 2.73Å; N362-C364 PolarHBondContact O-SG 2.98Å; N362-C364 VanDerWaalsContact O-SG 3.38Å; C364-F366 PolarHBondContact O-N 2.93Å; C364-D367 WeakPolarHBondContact CA-OD2 3.36Å; C364-D367 WeakPolarHBondContact O-CB 3.08Å; C364-D367 PolarHBondContact O-N 3.31Å; C364-D367 VanDerWaalsContact O-OD2 3.08Å; C364-Y385 HydrophobicContact CB-CE1 4.19Å; C364-Y385 PolarHBondContact O-OH 3.36Å |
| 365 | I | 96.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -58.8 | -18.2 | 177.1 | -158.8 | 172.1 | 0 | 0 | 0 | 113.5 | F304 I307 I308 Y328 L356 L359 Y360 D363 | F304-I365 HydrophobicContact CD1-CD1 3.94Å; I307-I365 HydrophobicContact CB-CD1 4.46Å; I307-I365 HydrophobicContact CG2-CB 4.46Å; I307-I365 HydrophobicContact CG2-CD1 3.83Å; I307-I365 HydrophobicContact CG2-CG1 3.84Å; I307-I365 HydrophobicContact CG2-CG2 3.9Å; I308-I365 HydrophobicContact CG2-CD1 3.95Å; I308-I365 HydrophobicContact CG2-CG1 4.32Å; Y328-I365 HydrophobicContact CD1-CG1 4.25Å; Y328-I365 HydrophobicContact CD2-CG1 4.44Å; Y328-I365 WeakPolarHBondContact CD2-O 3.47Å; Y328-I365 HydrophobicContact CE1-CG1 4.15Å; Y328-I365 HydrophobicContact CE2-CG1 4.35Å; Y328-I365 HydrophobicContact CG-CG1 4.4Å; L356-I365 HydrophobicContact CB-CD1 4.37Å; L356-I365 HydrophobicContact CD2-CD1 3.95Å; L359-I365 HydrophobicContact CB-CB 4.12Å; L359-I365 PolarHBondContact O-N 2.79Å; Y360-I365 HydrophobicContact CD2-CG2 4.07Å; D363-I365 PolarHBondContact O-N 3.06Å |
| 366 | F | 97.6 | Very high | 96.6 | Very high | 96 Ų | 96 | 47.8 Ų | 47.8 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -94.4 | 0.6 | 179.1 | -54.2 | -68.7 | 0 | 0 | 0 | 114 | I307 Y360 D363 C364 K368 | I307-F366 HydrophobicContact CD1-CE1 4.43Å; I307-F366 HydrophobicContact CG1-CE1 4.48Å; I307-F366 HydrophobicContact CG2-CD1 4.02Å; I307-F366 HydrophobicContact CG2-CE1 3.66Å; I307-F366 HydrophobicContact CG2-CZ 4.44Å; Y360-F366 HydrophobicContact CD2-CE2 4.22Å; Y360-F366 AromaticContact CD2-CZ 3.85Å; Y360-F366 HydrophobicContact CD2-CZ 3.85Å; Y360-F366 HydrophobicContact CE2-CE2 4.31Å; Y360-F366 AromaticContact CE2-CZ 3.7Å; Y360-F366 HydrophobicContact CE2-CZ 3.7Å; D363-F366 HydrophobicContact CB-CD2 4.1Å; D363-F366 WeakPolarHBondContact O-CB 3.21Å; D363-F366 WeakPolarHBondContact O-CD2 3.47Å; D363-F366 PolarHBondContact O-N 3.32Å; C364-F366 PolarHBondContact O-N 2.93Å; F366-K368 PolarHBondContact O-N 2.85Å |
| 367 | D | 98.1 | Very high | 96.6 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | trans | -61.1 | 131.8 | 177.5 | -75.2 | -45.7 | 0 | 0 | 0 | 111.7 | C364 F369 Y385 K458 L460 | C364-D367 WeakPolarHBondContact CA-OD2 3.36Å; C364-D367 WeakPolarHBondContact O-CB 3.08Å; C364-D367 PolarHBondContact O-N 3.31Å; C364-D367 VanDerWaalsContact O-OD2 3.08Å; D367-F369 HydrophobicContact CB-CD2 4.22Å; D367-F369 HydrophobicContact CB-CE2 3.61Å; D367-F369 HydrophobicContact CB-CZ 4.12Å; D367-F369 PolarHBondContact O-N 2.94Å; D367-Y385 WeakPolarHBondContact OD2-CE1 3.38Å; D367-Y385 PolarHBondContact OD2-OH 3.16Å; D367-K458 IonicContact OD1-NZ 3.71Å; D367-K458 PolarHBondContact OD1-NZ 2.8Å; D367-K458 WeakPolarHBondContact OD2-CD 3.49Å; D367-K458 WeakPolarHBondContact OD2-CE 3.35Å; D367-K458 IonicContact OD2-NZ 2.88Å; D367-K458 PolarHBondContact OD2-NZ 3.12Å; D367-L460 HydrophobicContact CB-CD2 4.03Å | ||
| 368 | K | 97.1 | Very high | 96.6 | Very high | 114 Ų | 114 | 46.7 Ų | 46.7 | 50% | 0.496 | 24% | 0.235 | S | C | . | . | trans | -98.5 | 87.2 | -176.6 | -63.7 | -177.9 | -178.4 | 178.9 | 0 | 111 | F366 | F366-K368 PolarHBondContact O-N 2.85Š| ||
| 369 | F | 98.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | trans | -74.7 | 127 | 175.2 | -65.7 | -82.5 | 0 | 0 | 0 | 111.2 | S312 R326 H349 D367 G383 S384 Y385 K458 L459 L460 | S312-F369 PolarHBondContact OG-O 3.25Å; R326-F369 WeakPolarHBondContact CG-O 3.28Å; H349-F369 AromaticContact CE1-CD2 3.83Å; H349-F369 AromaticContact CE1-CE2 3.58Å; H349-F369 AromaticContact CE1-CZ 3.94Å; D367-F369 HydrophobicContact CB-CD2 4.22Å; D367-F369 HydrophobicContact CB-CE2 3.61Å; D367-F369 HydrophobicContact CB-CZ 4.12Å; D367-F369 PolarHBondContact O-N 2.94Å; F369-G383 VanDerWaalsContact CD1-C 3.43Å; F369-G383 WeakPolarHBondContact CD1-O 3.29Å; F369-S384 VanDerWaalsContact CE1-C 3.42Å; F369-S384 VanDerWaalsContact CE1-CA 3.41Å; F369-Y385 HydrophobicContact CE2-CE1 4.37Å; F369-Y385 AromaticContact CE2-CE2 3.86Å; F369-Y385 HydrophobicContact CE2-CE2 3.86Å; F369-Y385 AromaticContact CE2-CZ 3.75Å; F369-Y385 HydrophobicContact CZ-CD1 4.15Å; F369-Y385 HydrophobicContact CZ-CD2 4.08Å; F369-Y385 AromaticContact CZ-CE1 3.86Å; F369-Y385 HydrophobicContact CZ-CE1 3.86Å; F369-Y385 AromaticContact CZ-CE2 3.8Å; F369-Y385 HydrophobicContact CZ-CE2 3.8Å; F369-Y385 HydrophobicContact CZ-CG 4.25Å; F369-Y385 AromaticContact CZ-CZ 3.66Å; F369-K458 HydrophobicContact CE1-CB 4.47Å; F369-L459 WeakPolarHBondContact CD1-O 3.5Å; F369-L460 HydrophobicContact CD1-CD2 3.86Å; F369-L460 HydrophobicContact CE1-CD2 3.72Å; F369-L460 HydrophobicContact CE2-CD2 4.43Å; F369-L460 HydrophobicContact CG-CD2 4.28Å; F369-L460 HydrophobicContact CZ-CD2 4.03Å | ||
| 370 | E | 98.8 | Very high | 96.8 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | trans | -78.6 | 161.1 | 174.1 | -68.5 | 179.9 | 168.1 | 0 | 0 | 112.3 | K91 D313 T382 L460 H461 L462 | K91-E370 IonicContact NZ-OE1 3.9Å; K91-E370 PolarHBondContact NZ-OE1 2.87Å; D313-E370 HydrophobicContact CB-CB 4.49Å; D313-E370 HydrophobicContact CB-CG 4.48Å; D313-E370 WeakPolarHBondContact OD2-CA 3.44Å; D313-E370 WeakPolarHBondContact OD2-CB 3.34Å; E370-T382 WeakPolarHBondContact O-CA 3.3Å; E370-T382 WeakPolarHBondContact O-CB 3.44Å; E370-T382 PolarHBondContact O-OG1 2.85Å; E370-L460 WeakPolarHBondContact CB-O 3.13Å; E370-L460 WeakPolarHBondContact CG-O 3.27Å; E370-L460 PolarHBondContact N-O 3.06Å; E370-H461 IonicContact OE1-ND1 3.2Å; E370-H461 PolarHBondContact OE1-ND1 3.45Å; E370-H461 VanDerWaalsContact OE2-CA 3.26Å; E370-H461 WeakPolarHBondContact OE2-CA 3.39Å; E370-H461 IonicContact OE2-ND1 3.27Å; E370-L462 HydrophobicContact CB-CG 4.41Å; E370-L462 PolarHBondContact OE2-N 2.62Å | ||
| 371 | C | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 144.2 | 178.4 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | D313 N315 L324 R326 L331 V381 | D313-C371 PolarHBondContact OD2-N 2.81Å; N315-C371 PolarHBondContact ND2-O 2.77Å; L324-C371 HydrophobicContact CD2-CB 3.88Å; L324-C371 HydrophobicContact CG-CB 4.33Å; R326-C371 HydrophobicContact CB-CB 4.08Å; L331-C371 HydrophobicContact CD2-CB 3.39Å; C371-V381 CarbonylContact C-O 3.59Å; C371-V381 WeakPolarHBondContact CA-O 3.43Å |
| 372 | Q | 98.5 | Very high | 97 | Very high | 29 Ų | 29 | 32.7 Ų | 32.7 | 14% | 0.136 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 159.2 | 178.6 | -72.1 | -164.1 | 21.5 | 0 | 0 | 113.3 | V380 V381 L462 | Q372-V380 WeakPolarHBondContact O-CA 3.4Å; Q372-V381 HydrophobicContact CB-CG1 4.22Å; Q372-V381 PolarHBondContact N-O 3.15Å; Q372-V381 PolarHBondContact O-N 3.37Å; Q372-L462 HydrophobicContact CB-CD1 3.55Å; Q372-L462 HydrophobicContact CG-CD1 3.47Å; Q372-L462 VanDerWaalsContact CG-CD1 3.47Å; Q372-L462 PolarHBondContact NE2-O 2.59Å |
| 373 | W | 98.2 | Very high | 97.2 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 2% | 0.019 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 146.5 | 171.3 | -61.1 | 91.4 | 0 | 0 | 0 | 110.4 | N315 F316 S317 Y322 L324 V333 D377 V380 | N315-W373 PolarHBondContact O-NE1 2.98Å; F316-W373 VanDerWaalsContact C-NE1 3.26Å; F316-W373 VanDerWaalsContact O-CD1 3.24Å; F316-W373 PolarHBondContact O-NE1 2.75Å; S317-W373 VanDerWaalsContact N-NE1 3.17Å; Y322-W373 HydrophobicContact CG-CH2 4.36Å; L324-W373 HydrophobicContact CB-CD2 4.36Å; L324-W373 VanDerWaalsContact CB-CE2 3.42Å; L324-W373 HydrophobicContact CB-CH2 4.43Å; L324-W373 HydrophobicContact CB-CZ2 3.5Å; L324-W373 VanDerWaalsContact CB-CZ2 3.5Å; L324-W373 VanDerWaalsContact CB-NE1 3.31Å; V333-W373 HydrophobicContact CB-CH2 4.46Å; V333-W373 HydrophobicContact CG1-CH2 3.67Å; V333-W373 HydrophobicContact CG1-CZ2 4.46Å; V333-W373 HydrophobicContact CG2-CH2 4.02Å; W373-D377 HydrophobicContact CE3-CB 4.31Å; W373-V380 HydrophobicContact CD2-CG1 4.19Å; W373-V380 HydrophobicContact CE3-CG1 3.71Å; W373-V380 HydrophobicContact CZ3-CG1 3.96Å |
| 374 | S | 96.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -66.7 | 157.9 | 163.1 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | H318 N376 D377 D378 M379 W464 | H318-S374 PolarHBondContact CD2-O 3.43Å; H318-S374 PolarHBondContact NE2-O 3.04Å; S374-N376 PolarHBondContact O-N 3.36Å; S374-N376 PolarHBondContact OG-OD1 3.39Å; S374-D377 PolarHBondContact O-N 3.26Å; S374-D378 PolarHBondContact OG-N 2.77Å; S374-D378 PolarHBondContact OG-OD1 2.75Å; S374-M379 PolarHBondContact N-O 3.06Å; S374-M379 PolarHBondContact OG-N 2.74Å; S374-M379 PolarHBondContact OG-O 2.93Å; S374-M379 VanDerWaalsContact OG-O 3.09Å; S374-W464 VanDerWaalsContact CA-CE3 3.49Å | ||
| 375 | P | 94.3 | Very high | 97.2 | Very high | 21 Ų | 21 | 21.9 Ų | 21.9 | 14% | 0.136 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -31.7 | -177.6 | -26.8 | 26.7 | 0 | 0 | 0 | 116.7 | H318 H465 E468 Y469 | H318-P375 PolarHBondContact CD2-O 2.82Å; H318-P375 VanDerWaalsContact CD2-O 3.31Å; P375-H465 WeakPolarHBondContact CG-O 3.46Å; P375-E468 WeakPolarHBondContact CG-O 3.42Å; P375-Y469 HydrophobicContact CG-CD1 4.19Å; P375-Y469 HydrophobicContact CG-CE1 4.37Å |
| 376 | N | 93.2 | Very high | 97.2 | Very high | 76 Ų | 76 | 22.7 Ų | 22.7 | 41% | 0.406 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 16 | -176.2 | 63.8 | -23.8 | 0 | 0 | 0 | 113.4 | S374 D378 Y469 | S374-N376 PolarHBondContact O-N 3.36Å; S374-N376 PolarHBondContact OG-OD1 3.39Å; N376-D378 VanDerWaalsContact CG-CG 3.46Å; N376-D378 PolarHBondContact ND2-OD2 3.08Å; N376-D378 PolarHBondContact O-N 3.09Å; N376-D378 PolarHBondContact OD1-OD1 3.41Å; N376-Y469 PolarHBondContact ND2-OH 3.39Å |
| 377 | D | 95.8 | Very high | 97.1 | Very high | 19 Ų | 19 | 18.5 Ų | 18.5 | 10% | 0.102 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 58.2 | 22.6 | -179.5 | -60.1 | -29.6 | 0 | 0 | 0 | 114.9 | H318 S319 W373 S374 R394 | H318-D377 WeakPolarHBondContact CB-OD1 3.25Å; H318-D377 IonicContact CD2-OD1 2.75Å; H318-D377 PolarHBondContact CD2-OD1 3.49Å; H318-D377 IonicContact CG-OD1 3.13Å; H318-D377 PolarHBondContact N-OD1 3Å; H318-D377 PolarHBondContact N-OD2 3.31Å; S319-D377 WeakPolarHBondContact CB-OD2 3.4Å; S319-D377 PolarHBondContact N-OD2 3.21Å; S319-D377 PolarHBondContact OG-OD2 3.28Å; W373-D377 HydrophobicContact CE3-CB 4.31Å; S374-D377 PolarHBondContact O-N 3.26Å; D377-R394 WeakPolarHBondContact O-CD 3.43Å; D377-R394 PolarHBondContact O-NH1 2.94Å |
| 378 | D | 94.5 | Very high | 97.1 | Very high | 44 Ų | 44 | 17.5 Ų | 17.5 | 24% | 0.235 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -99.1 | -15.3 | -178.5 | 75 | -4 | 0 | 0 | 0 | 114.9 | S374 N376 R394 | S374-D378 PolarHBondContact OG-N 2.77Å; S374-D378 PolarHBondContact OG-OD1 2.75Å; N376-D378 VanDerWaalsContact CG-CG 3.46Å; N376-D378 PolarHBondContact ND2-OD2 3.08Å; N376-D378 PolarHBondContact O-N 3.09Å; N376-D378 PolarHBondContact OD1-OD1 3.41Å; D378-R394 VanDerWaalsContact O-CB 3.26Å; D378-R394 WeakPolarHBondContact O-CB 3.23Å; D378-R394 WeakPolarHBondContact O-CG 3.17Å; D378-R394 PolarHBondContact O-N 3.25Å |
| 379 | M | 96.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 158.3 | 174.2 | -63.2 | 172.6 | -74.9 | 0 | 0 | 110.7 | V3 L5 S374 V391 F392 W464 Y469 Y484 | V3-M379 HydrophobicContact CG1-SD 4.12Å; L5-M379 HydrophobicContact CD2-CG 4.14Å; L5-M379 HydrophobicContact CD2-SD 3.41Å; L5-M379 WeakPolarHBondContact CD2-SD 3.46Å; S374-M379 PolarHBondContact N-O 3.06Å; S374-M379 PolarHBondContact OG-N 2.74Å; S374-M379 PolarHBondContact OG-O 2.93Å; S374-M379 VanDerWaalsContact OG-O 3.09Å; M379-V391 HydrophobicContact CB-CG1 4.21Å; M379-V391 HydrophobicContact CG-CG1 4.43Å; M379-V391 HydrophobicContact SD-CG1 3.97Å; M379-F392 CarbonylContact C-O 3.58Å; M379-F392 WeakPolarHBondContact CA-O 3.47Å; M379-F392 WeakPolarHBondContact CB-O 3.46Å; M379-W464 HydrophobicContact CB-CH2 4.05Å; M379-W464 HydrophobicContact CE-CH2 4.18Å; M379-W464 HydrophobicContact CE-CZ2 4.21Å; M379-Y469 HydrophobicContact CE-CD1 3.89Å; M379-Y469 HydrophobicContact CE-CE1 3.7Å; M379-Y484 HydrophobicContact CE-CD1 4.02Å; M379-Y484 HydrophobicContact CE-CE1 3.77Å; M379-Y484 HydrophobicContact SD-CE1 4.22Å |
| 380 | V | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.8 | 170.5 | -63.1 | 0 | 0 | 0 | 0 | 110 | L324 L331 Y346 Q372 W373 V391 F392 R394 | L324-V380 HydrophobicContact CD1-CB 4.23Å; L324-V380 HydrophobicContact CD1-CG1 4Å; L324-V380 HydrophobicContact CD1-CG2 4.46Å; L324-V380 HydrophobicContact CD2-CB 3.95Å; L324-V380 HydrophobicContact CD2-CG1 3.86Å; L331-V380 HydrophobicContact CD1-CB 4.4Å; L331-V380 HydrophobicContact CD1-CG2 3.91Å; Y346-V380 HydrophobicContact CD2-CG2 4.15Å; Y346-V380 HydrophobicContact CE2-CG2 4.15Å; Q372-V380 WeakPolarHBondContact O-CA 3.4Å; W373-V380 HydrophobicContact CD2-CG1 4.19Å; W373-V380 HydrophobicContact CE3-CG1 3.71Å; W373-V380 HydrophobicContact CZ3-CG1 3.96Å; V380-V391 WeakPolarHBondContact O-CA 3.48Å; V380-F392 HydrophobicContact CG2-CB 3.86Å; V380-F392 HydrophobicContact CG2-CD2 4.27Å; V380-F392 HydrophobicContact CG2-CG 4.47Å; V380-F392 PolarHBondContact N-O 3.17Å; V380-F392 PolarHBondContact O-N 2.98Å; V380-R394 HydrophobicContact CG1-CG 4.21Å |
| 381 | V | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 148.2 | -176.9 | 68.1 | 0 | 0 | 0 | 0 | 111.2 | C371 Q372 F389 R390 V391 L462 W464 L471 | C371-V381 CarbonylContact C-O 3.59Å; C371-V381 WeakPolarHBondContact CA-O 3.43Å; Q372-V381 HydrophobicContact CB-CG1 4.22Å; Q372-V381 PolarHBondContact N-O 3.15Å; Q372-V381 PolarHBondContact O-N 3.37Å; V381-F389 HydrophobicContact CG2-CD2 4.04Å; V381-R390 VanDerWaalsContact CA-O 3.28Å; V381-R390 WeakPolarHBondContact CA-O 3.47Å; V381-R390 WeakPolarHBondContact CG2-O 3.38Å; V381-V391 HydrophobicContact CB-CG2 4.45Å; V381-V391 HydrophobicContact CG2-CG2 3.93Å; V381-L462 HydrophobicContact CG1-CD1 3.79Å; V381-L462 HydrophobicContact CG1-CD2 4.35Å; V381-W464 HydrophobicContact CB-CE3 4.07Å; V381-W464 HydrophobicContact CB-CH2 4.48Å; V381-W464 HydrophobicContact CB-CZ3 3.66Å; V381-W464 HydrophobicContact CG1-CD2 4.41Å; V381-W464 HydrophobicContact CG1-CE3 3.39Å; V381-W464 HydrophobicContact CG1-CZ3 3.53Å; V381-L471 HydrophobicContact CG1-CD1 4.04Å; V381-L471 HydrophobicContact CG2-CD2 3.8Å |
| 382 | T | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 155.9 | 171.4 | -168 | 0 | 0 | 0 | 0 | 111.4 | R326 L331 V348 E370 F389 R390 F392 | R326-T382 PolarHBondContact NH1-OG1 2.91Å; L331-T382 HydrophobicContact CD1-CG2 3.65Å; L331-T382 HydrophobicContact CD2-CG2 4.34Å; L331-T382 HydrophobicContact CG-CG2 3.99Å; V348-T382 HydrophobicContact CG1-CG2 3.83Å; V348-T382 HydrophobicContact CG2-CG2 3.91Å; E370-T382 WeakPolarHBondContact O-CA 3.3Å; E370-T382 WeakPolarHBondContact O-CB 3.44Å; E370-T382 PolarHBondContact O-OG1 2.85Å; T382-F389 CarbonylContact O-C 3.56Å; T382-F389 WeakPolarHBondContact O-CA 3.5Å; T382-R390 PolarHBondContact N-O 3.09Å; T382-R390 PolarHBondContact O-N 3.26Å; T382-F392 HydrophobicContact CG2-CE2 4.47Å |
| 383 | G | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 173.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R326 F369 L459 | R326-G383 PolarHBondContact NH1-O 3.46Å; F369-G383 VanDerWaalsContact CD1-C 3.43Å; F369-G383 WeakPolarHBondContact CD1-O 3.29Å; G383-L459 VanDerWaalsContact CA-O 3.28Å; G383-L459 WeakPolarHBondContact CA-O 3.19Å |
| 384 | S | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | -157.1 | 178.8 | -176.5 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | H349 Y351 F369 Y388 L459 | H349-S384 WeakPolarHBondContact NE2-CB 3.45Å; H349-S384 PolarHBondContact NE2-OG 2.94Å; Y351-S384 PolarHBondContact OH-OG 3.15Å; F369-S384 VanDerWaalsContact CE1-C 3.42Å; F369-S384 VanDerWaalsContact CE1-CA 3.41Å; S384-Y388 WeakPolarHBondContact CA-O 3.36Å; S384-Y388 WeakPolarHBondContact CB-O 3.33Å; S384-Y388 PolarHBondContact N-O 3.37Å; S384-L459 PolarHBondContact O-N 3.03Å | ||
| 385 | Y | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -69.6 | 167.4 | 169.2 | -58.6 | -76.5 | 0 | 0 | 0 | 112.9 | Y328 H349 F352 C364 D367 F369 N387 Y388 L455 R457 K458 | Y328-Y385 PolarHBondContact OH-OH 3.14Å; H349-Y385 AromaticContact CE1-CD2 3.96Å; H349-Y385 AromaticContact CE1-CE2 3.83Å; F352-Y385 HydrophobicContact CD2-CD2 4.48Å; F352-Y385 AromaticContact CE2-CD2 3.54Å; F352-Y385 HydrophobicContact CE2-CD2 3.54Å; F352-Y385 HydrophobicContact CE2-CE2 4.03Å; F352-Y385 AromaticContact CZ-CD2 3.81Å; F352-Y385 HydrophobicContact CZ-CD2 3.81Å; F352-Y385 HydrophobicContact CZ-CE2 4.47Å; F352-Y385 HydrophobicContact CZ-CG 4.49Å; C364-Y385 HydrophobicContact CB-CE1 4.19Å; C364-Y385 PolarHBondContact O-OH 3.36Å; D367-Y385 WeakPolarHBondContact OD2-CE1 3.38Å; D367-Y385 PolarHBondContact OD2-OH 3.16Å; F369-Y385 HydrophobicContact CE2-CE1 4.37Å; F369-Y385 AromaticContact CE2-CE2 3.86Å; F369-Y385 HydrophobicContact CE2-CE2 3.86Å; F369-Y385 AromaticContact CE2-CZ 3.75Å; F369-Y385 HydrophobicContact CZ-CD1 4.15Å; F369-Y385 HydrophobicContact CZ-CD2 4.08Å; F369-Y385 AromaticContact CZ-CE1 3.86Å; F369-Y385 HydrophobicContact CZ-CE1 3.86Å; F369-Y385 AromaticContact CZ-CE2 3.8Å; F369-Y385 HydrophobicContact CZ-CE2 3.8Å; F369-Y385 HydrophobicContact CZ-CG 4.25Å; F369-Y385 AromaticContact CZ-CZ 3.66Å; Y385-N387 PolarHBondContact O-N 3.26Å; Y385-Y388 WeakPolarHBondContact O-CB 3Å; Y385-Y388 WeakPolarHBondContact O-CD2 3.49Å; Y385-Y388 PolarHBondContact O-N 3.11Å; Y385-Y388 VanDerWaalsContact O-N 3.14Å; Y385-L455 HydrophobicContact CD1-CB 4.12Å; Y385-L455 HydrophobicContact CD1-CD2 3.9Å; Y385-L455 WeakPolarHBondContact CD1-O 3.28Å; Y385-L455 HydrophobicContact CD2-CD2 4.08Å; Y385-L455 HydrophobicContact CE1-CB 4.47Å; Y385-L455 HydrophobicContact CE1-CD2 4.43Å; Y385-L455 HydrophobicContact CG-CD2 3.71Å; Y385-R457 CarbonylContact C-O 3.57Å; Y385-R457 WeakPolarHBondContact CA-O 3.21Å; Y385-K458 HydrophobicContact CD1-CD 4.29Å; Y385-K458 HydrophobicContact CD1-CG 3.95Å; Y385-K458 HydrophobicContact CE1-CD 4.04Å; Y385-K458 HydrophobicContact CE1-CG 4.21Å |
| 386 | N | 95.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 18.2 Ų | 18.2 | 12% | 0.123 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 31.7 | -177.2 | -154.3 | 82.4 | 0 | 0 | 0 | 113.4 | Y388 M453 D454 R457 | N386-Y388 HydrophobicContact CB-CD2 3.99Å; N386-Y388 HydrophobicContact CB-CE1 4.38Å; N386-Y388 HydrophobicContact CB-CE2 3.81Å; N386-Y388 HydrophobicContact CB-CG 4.34Å; N386-Y388 WeakPolarHBondContact ND2-CE1 3.36Å; N386-Y388 PolarHBondContact ND2-OH 3.39Å; N386-Y388 WeakPolarHBondContact O-CD1 3.34Å; N386-Y388 PolarHBondContact O-N 2.8Å; N386-M453 HydrophobicContact CB-CB 4.46Å; N386-M453 HydrophobicContact CB-CE 3.94Å; N386-D454 WeakPolarHBondContact CA-O 3.2Å; N386-D454 PolarHBondContact N-O 3.37Å; N386-D454 WeakPolarHBondContact OD1-CB 3.46Å; N386-D454 PolarHBondContact OD1-N 2.65Å; N386-R457 WeakPolarHBondContact CA-O 3.4Å; N386-R457 PolarHBondContact N-O 3.37Å |
| 387 | N | 95.8 | Very high | 96.4 | Very high | 8 Ų | 8 | 19.9 Ų | 19.9 | 4% | 0.043 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 32.4 | -169.7 | -71.5 | -13.6 | 0 | 0 | 0 | 114.3 | Y385 A404 R457 K458 L459 | Y385-N387 PolarHBondContact O-N 3.26Å; N387-A404 WeakPolarHBondContact CB-O 3.41Å; N387-A404 PolarHBondContact O-N 3.45Å; N387-R457 PolarHBondContact N-O 3.24Å; N387-K458 PolarHBondContact OD1-N 2.78Å; N387-L459 HydrophobicContact CB-CG 4.45Å; N387-L459 WeakPolarHBondContact O-CD1 3.04Å |
| 388 | Y | 97.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 151.1 | 175.6 | -61.5 | -27.1 | 0 | 0 | 0 | 112.4 | S384 Y385 N386 L401 M402 E403 V448 M453 | S384-Y388 WeakPolarHBondContact CA-O 3.36Å; S384-Y388 WeakPolarHBondContact CB-O 3.33Å; S384-Y388 PolarHBondContact N-O 3.37Å; Y385-Y388 WeakPolarHBondContact O-CB 3Å; Y385-Y388 WeakPolarHBondContact O-CD2 3.49Å; Y385-Y388 PolarHBondContact O-N 3.11Å; Y385-Y388 VanDerWaalsContact O-N 3.14Å; N386-Y388 HydrophobicContact CB-CD2 3.99Å; N386-Y388 HydrophobicContact CB-CE1 4.38Å; N386-Y388 HydrophobicContact CB-CE2 3.81Å; N386-Y388 HydrophobicContact CB-CG 4.34Å; N386-Y388 WeakPolarHBondContact ND2-CE1 3.36Å; N386-Y388 PolarHBondContact ND2-OH 3.39Å; N386-Y388 WeakPolarHBondContact O-CD1 3.34Å; N386-Y388 PolarHBondContact O-N 2.8Å; Y388-L401 HydrophobicContact CD2-CD1 4.1Å; Y388-L401 HydrophobicContact CD2-CD2 4.14Å; Y388-L401 HydrophobicContact CD2-CG 4.35Å; Y388-L401 HydrophobicContact CE2-CD2 4.49Å; Y388-L401 HydrophobicContact CG-CD1 4.04Å; Y388-L401 HydrophobicContact CG-CG 4.39Å; Y388-M402 CarbonylContact C-O 3.59Å; Y388-M402 VanDerWaalsContact CA-O 3.22Å; Y388-M402 WeakPolarHBondContact CA-O 3.42Å; Y388-E403 HydrophobicContact CD1-CB 3.69Å; Y388-E403 HydrophobicContact CD1-CG 3.83Å; Y388-E403 HydrophobicContact CE1-CB 3.63Å; Y388-E403 HydrophobicContact CE1-CG 3.68Å; Y388-V448 WeakPolarHBondContact OH-CG2 3.19Å; Y388-M453 HydrophobicContact CD2-CE 3.76Å; Y388-M453 HydrophobicContact CE2-CE 3.92Å |
| 389 | F | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 153.1 | 166.1 | 69.5 | -74.6 | 0 | 0 | 0 | 109.6 | V381 T382 V391 M402 A404 L417 L459 L471 L473 L482 | V381-F389 HydrophobicContact CG2-CD2 4.04Å; T382-F389 CarbonylContact O-C 3.56Å; T382-F389 WeakPolarHBondContact O-CA 3.5Å; F389-V391 HydrophobicContact CD2-CG2 3.9Å; F389-V391 HydrophobicContact CE2-CG2 3.76Å; F389-M402 HydrophobicContact CD1-CB 4.28Å; F389-M402 WeakPolarHBondContact CD1-O 3.43Å; F389-M402 HydrophobicContact CD2-CE 4.44Å; F389-M402 HydrophobicContact CE1-CB 3.6Å; F389-M402 HydrophobicContact CE1-CE 4.35Å; F389-M402 HydrophobicContact CE2-CE 3.44Å; F389-M402 VanDerWaalsContact CE2-CE 3.44Å; F389-M402 HydrophobicContact CZ-CB 3.78Å; F389-M402 HydrophobicContact CZ-CE 3.37Å; F389-M402 HydrophobicContact CZ-SD 4.15Å; F389-M402 PolarHBondContact N-O 3.44Å; F389-M402 PolarHBondContact O-N 2.88Å; F389-A404 HydrophobicContact CD1-CB 4.27Å; F389-A404 HydrophobicContact CE1-CB 4.32Å; F389-L417 HydrophobicContact CE1-CD2 3.8Å; F389-L417 HydrophobicContact CZ-CD2 4Å; F389-L459 HydrophobicContact CB-CD1 4.04Å; F389-L459 HydrophobicContact CD1-CD1 4.35Å; F389-L471 HydrophobicContact CD2-CD2 4.13Å; F389-L471 HydrophobicContact CE2-CD2 4.12Å; F389-L473 HydrophobicContact CB-CD1 4.11Å; F389-L473 HydrophobicContact CB-CD2 4.28Å; F389-L473 HydrophobicContact CD1-CD1 3.52Å; F389-L473 HydrophobicContact CD2-CD1 4.08Å; F389-L473 HydrophobicContact CE1-CD1 3.88Å; F389-L473 HydrophobicContact CE2-CD1 4.39Å; F389-L473 HydrophobicContact CG-CD1 3.64Å; F389-L473 HydrophobicContact CZ-CD1 4.3Å; F389-L482 HydrophobicContact CD1-CD1 4.43Å; F389-L482 HydrophobicContact CE1-CD1 3.53Å; F389-L482 HydrophobicContact CE2-CD1 4.09Å; F389-L482 HydrophobicContact CZ-CD1 3.32Å |
| 390 | R | 97.5 | Very high | 96.1 | Very high | 27 Ų | 27 | 24.8 Ų | 24.8 | 10% | 0.102 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.6 | 176.4 | -71.3 | -162.6 | -179.1 | -162.5 | -13.7 | 111.4 | L347 V348 V381 T382 F392 D399 L400 L401 | L347-R390 PolarHBondContact O-NH1 3.14Å; V348-R390 PolarHBondContact O-NH1 2.81Å; V381-R390 VanDerWaalsContact CA-O 3.28Å; V381-R390 WeakPolarHBondContact CA-O 3.47Å; V381-R390 WeakPolarHBondContact CG2-O 3.38Å; T382-R390 PolarHBondContact N-O 3.09Å; T382-R390 PolarHBondContact O-N 3.26Å; R390-F392 HydrophobicContact CB-CD2 4.37Å; R390-F392 HydrophobicContact CB-CE2 3.56Å; R390-F392 HydrophobicContact CB-CZ 3.86Å; R390-F392 HydrophobicContact CG-CZ 4.41Å; R390-D399 IonicContact NH1-OD2 3.73Å; R390-L400 CarbonylContact C-O 3.57Å; R390-L400 VanDerWaalsContact CA-O 3.24Å; R390-L400 WeakPolarHBondContact CA-O 3.36Å; R390-L401 HydrophobicContact CG-CB 4.16Å; R390-L401 HydrophobicContact CG-CD1 3.46Å; R390-L401 VanDerWaalsContact CG-CD1 3.46Å; R390-L401 HydrophobicContact CG-CG 4.43Å |
| 391 | V | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.7 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 108 | L5 W8 M379 V380 V381 F389 D399 L400 M402 W464 | L5-V391 HydrophobicContact CD2-CG1 4.18Å; W8-V391 HydrophobicContact CH2-CG2 4.45Å; W8-V391 HydrophobicContact CZ2-CB 4.5Å; W8-V391 HydrophobicContact CZ2-CG1 4.11Å; W8-V391 HydrophobicContact CZ2-CG2 3.74Å; M379-V391 HydrophobicContact CB-CG1 4.21Å; M379-V391 HydrophobicContact CG-CG1 4.43Å; M379-V391 HydrophobicContact SD-CG1 3.97Å; V380-V391 WeakPolarHBondContact O-CA 3.48Å; V381-V391 HydrophobicContact CB-CG2 4.45Å; V381-V391 HydrophobicContact CG2-CG2 3.93Å; F389-V391 HydrophobicContact CD2-CG2 3.9Å; F389-V391 HydrophobicContact CE2-CG2 3.76Å; V391-D399 CarbonylContact O-C 3.39Å; V391-D399 VanDerWaalsContact O-CA 3.23Å; V391-D399 WeakPolarHBondContact O-CA 3.37Å; V391-L400 PolarHBondContact N-O 3.06Å; V391-L400 PolarHBondContact O-N 2.93Å; V391-M402 HydrophobicContact CG2-CE 4.18Å; V391-W464 HydrophobicContact CG1-CH2 4.42Å |
| 392 | F | 97.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 25.1 Ų | 25.1 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.2 | 178 | -58.7 | -91.3 | 0 | 0 | 0 | 109.5 | L331 Y346 V348 M379 V380 T382 R390 D399 | L331-F392 HydrophobicContact CD1-CD2 3.85Å; L331-F392 HydrophobicContact CD1-CE2 3.89Å; Y346-F392 HydrophobicContact CD1-CB 3.82Å; Y346-F392 AromaticContact CD1-CD1 3.56Å; Y346-F392 HydrophobicContact CD1-CD1 3.56Å; Y346-F392 HydrophobicContact CD1-CE1 4.39Å; Y346-F392 AromaticContact CD1-CG 3.87Å; Y346-F392 HydrophobicContact CD1-CG 3.87Å; Y346-F392 HydrophobicContact CD2-CB 4.47Å; Y346-F392 HydrophobicContact CE1-CB 4.08Å; Y346-F392 HydrophobicContact CG-CB 4.05Å; Y346-F392 AromaticContact CG-CD1 3.78Å; Y346-F392 HydrophobicContact CG-CD1 3.78Å; Y346-F392 HydrophobicContact CG-CD2 4.47Å; Y346-F392 HydrophobicContact CG-CE1 4.38Å; Y346-F392 AromaticContact CG-CG 3.85Å; Y346-F392 HydrophobicContact CG-CG 3.85Å; V348-F392 HydrophobicContact CG2-CE2 3.99Å; V348-F392 HydrophobicContact CG2-CZ 3.96Å; M379-F392 CarbonylContact C-O 3.58Å; M379-F392 WeakPolarHBondContact CA-O 3.47Å; M379-F392 WeakPolarHBondContact CB-O 3.46Å; V380-F392 HydrophobicContact CG2-CB 3.86Å; V380-F392 HydrophobicContact CG2-CD2 4.27Å; V380-F392 HydrophobicContact CG2-CG 4.47Å; V380-F392 PolarHBondContact N-O 3.17Å; V380-F392 PolarHBondContact O-N 2.98Å; T382-F392 HydrophobicContact CG2-CE2 4.47Å; R390-F392 HydrophobicContact CB-CD2 4.37Å; R390-F392 HydrophobicContact CB-CE2 3.56Å; R390-F392 HydrophobicContact CB-CZ 3.86Å; R390-F392 HydrophobicContact CG-CZ 4.41Å; F392-D399 HydrophobicContact CD1-CB 3.34Å; F392-D399 HydrophobicContact CE1-CB 3.57Å; F392-D399 HydrophobicContact CG-CB 4.16Å |
| 393 | E | 95.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 6% | 0.061 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 130.9 | 165.5 | 179.7 | -170.6 | -157.2 | 0 | 0 | 109.1 | G2 V3 L5 T396 N398 | G2-E393 WeakPolarHBondContact CA-OE1 3.42Å; V3-E393 HydrophobicContact CB-CG 4.07Å; V3-E393 WeakPolarHBondContact CB-OE1 3.44Å; V3-E393 HydrophobicContact CG2-CG 4.13Å; V3-E393 WeakPolarHBondContact CG2-OE1 3.3Å; V3-E393 PolarHBondContact N-OE1 3.48Å; L5-E393 HydrophobicContact CD1-CB 4.25Å; L5-E393 HydrophobicContact CD2-CB 4.45Å; E393-T396 WeakPolarHBondContact CB-OG1 3.41Å; E393-T396 HydrophobicContact CG-CG2 4.04Å; E393-T396 PolarHBondContact O-OG1 3Å; E393-T396 WeakPolarHBondContact OE2-CG2 3.43Å; E393-T396 PolarHBondContact OE2-OG1 3.05Å; E393-N398 HydrophobicContact CB-CB 4.19Å; E393-N398 PolarHBondContact N-O 3.27Å; E393-N398 WeakPolarHBondContact OE2-CB 3.2Å; E393-N398 PolarHBondContact OE2-ND2 2.94Å |
| 394 | R | 96.2 | Very high | 95.5 | Very high | 42 Ų | 42 | 27.7 Ų | 27.7 | 16% | 0.158 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 141.1 | -175.6 | -74.6 | -172.4 | 62.1 | -150.4 | -1 | 113.8 | E344 Y346 D377 D378 V380 T396 | E344-R394 IonicContact OE1-CZ 3.42Å; E344-R394 IonicContact OE1-NE 2.89Å; E344-R394 PolarHBondContact OE1-NE 3.38Å; E344-R394 IonicContact OE1-NH2 3.74Å; E344-R394 PolarHBondContact OE1-NH2 2.87Å; E344-R394 IonicContact OE2-CZ 2.91Å; E344-R394 IonicContact OE2-NE 2.78Å; E344-R394 PolarHBondContact OE2-NE 3.21Å; E344-R394 VanDerWaalsContact OE2-NE 3.13Å; E344-R394 IonicContact OE2-NH2 3.3Å; Y346-R394 VanDerWaalsContact OH-CA 3.27Å; Y346-R394 WeakPolarHBondContact OH-CA 3.5Å; D377-R394 WeakPolarHBondContact O-CD 3.43Å; D377-R394 PolarHBondContact O-NH1 2.94Å; D378-R394 VanDerWaalsContact O-CB 3.26Å; D378-R394 WeakPolarHBondContact O-CB 3.23Å; D378-R394 WeakPolarHBondContact O-CG 3.17Å; D378-R394 PolarHBondContact O-N 3.25Å; V380-R394 HydrophobicContact CG1-CG 4.21Å; R394-T396 PolarHBondContact O-N 2.83Å |
| 395 | G | 94.1 | Very high | 95.3 | Very high | 64 Ų | 64 | 27.7 Ų | 27.7 | 66% | 0.66 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70 | 7.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E344 Y346 | E344-G395 PolarHBondContact OE2-N 2.9Å; Y346-G395 PolarHBondContact OH-N 3.23Å |
| 396 | T | 93.8 | Very high | 95.1 | Very high | 52 Ų | 52 | 30.8 Ų | 30.8 | 32% | 0.319 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -123.7 | 176.2 | 175.9 | 81.7 | 0 | 0 | 0 | 0 | 110.3 | E393 R394 N398 | E393-T396 WeakPolarHBondContact CB-OG1 3.41Å; E393-T396 HydrophobicContact CG-CG2 4.04Å; E393-T396 PolarHBondContact O-OG1 3Å; E393-T396 WeakPolarHBondContact OE2-CG2 3.43Å; E393-T396 PolarHBondContact OE2-OG1 3.05Å; R394-T396 PolarHBondContact O-N 2.83Å; T396-N398 VanDerWaalsContact C-N 3.34Å; T396-N398 WeakPolarHBondContact OG1-CB 3.24Å; T396-N398 PolarHBondContact OG1-N 3.06Å; T396-N398 VanDerWaalsContact OG1-N 3.11Å |
| 397 | S | 89.5 | Confident | 94.9 | Very high | 111 Ų | 111 | 33 Ų | 33 | 78% | 0.776 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -96.6 | 12 | 171 | 64.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 398 | N | 91.7 | Very high | 94.7 | Very high | 77 Ų | 77 | 33.7 Ų | 33.7 | 41% | 0.412 | 19% | 0.194 | S | C | . | . | trans | -84.7 | 121.7 | -176.7 | -64 | -27.4 | 0 | 0 | 0 | 109.4 | L5 E393 T396 | L5-N398 HydrophobicContact CD1-CB 4.29Å; E393-N398 HydrophobicContact CB-CB 4.19Å; E393-N398 PolarHBondContact N-O 3.27Å; E393-N398 WeakPolarHBondContact OE2-CB 3.2Å; E393-N398 PolarHBondContact OE2-ND2 2.94Å; T396-N398 VanDerWaalsContact C-N 3.34Å; T396-N398 WeakPolarHBondContact OG1-CB 3.24Å; T396-N398 PolarHBondContact OG1-N 3.06Å; T396-N398 VanDerWaalsContact OG1-N 3.11Å | ||
| 399 | D | 94.3 | Very high | 94.4 | Very high | 67 Ų | 67 | 34.7 Ų | 34.7 | 36% | 0.358 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 160.1 | 175 | 73.7 | -48.8 | 0 | 0 | 0 | 111.3 | R390 V391 F392 | R390-D399 IonicContact NH1-OD2 3.73Å; V391-D399 CarbonylContact O-C 3.39Å; V391-D399 VanDerWaalsContact O-CA 3.23Å; V391-D399 WeakPolarHBondContact O-CA 3.37Å; F392-D399 HydrophobicContact CD1-CB 3.34Å; F392-D399 HydrophobicContact CE1-CB 3.57Å; F392-D399 HydrophobicContact CG-CB 4.16Å |
| 400 | L | 93.9 | Very high | 94 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.1 | 168.7 | -70.3 | -173.4 | 0 | 0 | 0 | 110 | L5 R390 V391 M402 P419 | L5-L400 HydrophobicContact CB-CD1 3.33Å; L5-L400 HydrophobicContact CB-CG 3.54Å; L5-L400 HydrophobicContact CD1-CG 4.16Å; L5-L400 WeakPolarHBondContact O-CD1 3.22Å; R390-L400 CarbonylContact C-O 3.57Å; R390-L400 VanDerWaalsContact CA-O 3.24Å; R390-L400 WeakPolarHBondContact CA-O 3.36Å; V391-L400 PolarHBondContact N-O 3.06Å; V391-L400 PolarHBondContact O-N 2.93Å; L400-M402 HydrophobicContact CB-CE 4.14Å; L400-M402 HydrophobicContact CD1-CE 4.33Å; L400-M402 HydrophobicContact CD1-SD 4.36Å; L400-P419 HydrophobicContact CD1-CG 4.43Å; L400-P419 HydrophobicContact CD2-CB 3.97Å; L400-P419 HydrophobicContact CD2-CG 3.86Å |
| 401 | L | 95.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 129.8 | 164.3 | 177.1 | 76.7 | 0 | 0 | 0 | 108.3 | Y388 R390 P419 C420 V422 | Y388-L401 HydrophobicContact CD2-CD1 4.1Å; Y388-L401 HydrophobicContact CD2-CD2 4.14Å; Y388-L401 HydrophobicContact CD2-CG 4.35Å; Y388-L401 HydrophobicContact CE2-CD2 4.49Å; Y388-L401 HydrophobicContact CG-CD1 4.04Å; Y388-L401 HydrophobicContact CG-CG 4.39Å; R390-L401 HydrophobicContact CG-CB 4.16Å; R390-L401 HydrophobicContact CG-CD1 3.46Å; R390-L401 VanDerWaalsContact CG-CD1 3.46Å; R390-L401 HydrophobicContact CG-CG 4.43Å; L401-P419 WeakPolarHBondContact O-CA 3.41Å; L401-C420 WeakPolarHBondContact CB-O 3.41Å; L401-C420 VanDerWaalsContact CD2-SG 3.53Å; L401-C420 VanDerWaalsContact CG-SG 3.59Å; L401-C420 PolarHBondContact O-N 2.82Å; L401-V422 HydrophobicContact CD2-CG2 3.53Å |
| 402 | M | 95.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 160.7 | -179.3 | -65.7 | 175 | -75.2 | 0 | 0 | 110.7 | W8 Y388 F389 V391 L400 L417 | W8-M402 HydrophobicContact CB-CE 4.09Å; W8-M402 HydrophobicContact CB-SD 3.74Å; W8-M402 HydrophobicContact CD2-CE 4.03Å; W8-M402 HydrophobicContact CG-CE 3.55Å; W8-M402 HydrophobicContact CG-SD 3.85Å; Y388-M402 CarbonylContact C-O 3.59Å; Y388-M402 VanDerWaalsContact CA-O 3.22Å; Y388-M402 WeakPolarHBondContact CA-O 3.42Å; F389-M402 HydrophobicContact CD1-CB 4.28Å; F389-M402 WeakPolarHBondContact CD1-O 3.43Å; F389-M402 HydrophobicContact CD2-CE 4.44Å; F389-M402 HydrophobicContact CE1-CB 3.6Å; F389-M402 HydrophobicContact CE1-CE 4.35Å; F389-M402 HydrophobicContact CE2-CE 3.44Å; F389-M402 VanDerWaalsContact CE2-CE 3.44Å; F389-M402 HydrophobicContact CZ-CB 3.78Å; F389-M402 HydrophobicContact CZ-CE 3.37Å; F389-M402 HydrophobicContact CZ-SD 4.15Å; F389-M402 PolarHBondContact N-O 3.44Å; F389-M402 PolarHBondContact O-N 2.88Å; V391-M402 HydrophobicContact CG2-CE 4.18Å; L400-M402 HydrophobicContact CB-CE 4.14Å; L400-M402 HydrophobicContact CD1-CE 4.33Å; L400-M402 HydrophobicContact CD1-SD 4.36Å; M402-L417 HydrophobicContact CB-CD2 3.96Å; M402-L417 HydrophobicContact CG-CB 4.38Å; M402-L417 HydrophobicContact SD-CB 3.73Å; M402-L417 HydrophobicContact SD-CD2 4.34Å |
| 403 | E | 95.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.6 | 179.5 | -167.4 | -178.5 | 159.4 | 0 | 0 | 112 | F10 Y388 S405 A408 L417 | F10-E403 WeakPolarHBondContact CZ-O 3.37Å; Y388-E403 HydrophobicContact CD1-CB 3.69Å; Y388-E403 HydrophobicContact CD1-CG 3.83Å; Y388-E403 HydrophobicContact CE1-CB 3.63Å; Y388-E403 HydrophobicContact CE1-CG 3.68Å; E403-S405 VanDerWaalsContact CD-OG 3.25Å; E403-S405 VanDerWaalsContact OE1-CB 3.28Å; E403-S405 WeakPolarHBondContact OE1-CB 3.34Å; E403-S405 PolarHBondContact OE1-OG 3.43Å; E403-A408 HydrophobicContact CB-CB 4.07Å; E403-A408 HydrophobicContact CG-CB 4.15Å; E403-L417 VanDerWaalsContact O-CD2 3.27Å; E403-L417 WeakPolarHBondContact O-CD2 3.49Å |
| 404 | A | 95.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -103.4 | 86.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109.2 | N387 F389 L459 L473 Y480 | N387-A404 WeakPolarHBondContact CB-O 3.41Å; N387-A404 PolarHBondContact O-N 3.45Å; F389-A404 HydrophobicContact CD1-CB 4.27Å; F389-A404 HydrophobicContact CE1-CB 4.32Å; A404-L459 HydrophobicContact CB-CD1 3.96Å; A404-L473 HydrophobicContact CB-CD1 3.86Å; A404-Y480 HydrophobicContact CB-CD1 4.3Å; A404-Y480 HydrophobicContact CB-CD2 4.08Å; A404-Y480 HydrophobicContact CB-CG 3.89Å; A404-Y480 WeakPolarHBondContact O-CE1 3.4Å; A404-Y480 WeakPolarHBondContact O-CE2 3.23Å; A404-Y480 VanDerWaalsContact O-CZ 3.23Å | ||
| 405 | S | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -141.7 | 161 | 178 | 71.6 | 0 | 0 | 0 | 0 | 110.3 | F10 E403 E407 A408 M409 | F10-S405 WeakPolarHBondContact CZ-O 3.49Å; E403-S405 VanDerWaalsContact CD-OG 3.25Å; E403-S405 VanDerWaalsContact OE1-CB 3.28Å; E403-S405 WeakPolarHBondContact OE1-CB 3.34Å; E403-S405 PolarHBondContact OE1-OG 3.43Å; S405-E407 VanDerWaalsContact C-N 3.29Å; S405-E407 VanDerWaalsContact CB-OE2 3.29Å; S405-E407 WeakPolarHBondContact CB-OE2 3.33Å; S405-E407 PolarHBondContact OG-OE2 2.97Å; S405-A408 PolarHBondContact O-N 2.9Å; S405-A408 WeakPolarHBondContact OG-CB 3.34Å; S405-A408 PolarHBondContact OG-N 3.14Å; S405-M409 PolarHBondContact O-N 3.44Å; S405-M409 VanDerWaalsContact O-N 3.08Å |
| 406 | R | 91.5 | Very high | 91.7 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 24% | 0.242 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 176.1 | -69.9 | -179.8 | -177.4 | -89.8 | -2.2 | 110.3 | I13 G15 A408 M409 E410 | I13-R406 HydrophobicContact CD1-CB 4.47Å; I13-R406 HydrophobicContact CD1-CG 3.86Å; I13-R406 HydrophobicContact CG2-CG 4.19Å; G15-R406 PolarHBondContact O-NH2 2.88Å; R406-A408 VanDerWaalsContact C-N 3.3Å; R406-A408 PolarHBondContact O-N 3.21Å; R406-M409 CarbonylContact O-C 3.59Å; R406-M409 WeakPolarHBondContact O-CA 3.46Å; R406-M409 WeakPolarHBondContact O-CB 3.36Å; R406-M409 PolarHBondContact O-N 2.79Å; R406-M409 VanDerWaalsContact O-N 3.09Å; R406-E410 WeakPolarHBondContact O-CG 3.22Å; R406-E410 PolarHBondContact O-N 2.61Å |
| 407 | E | 91.1 | Very high | 91.7 | Very high | 69 Ų | 69 | 49.6 Ų | 49.6 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 177.2 | -54.6 | 91.8 | 143.3 | 0 | 0 | 110.9 | S405 N411 R457 | S405-E407 VanDerWaalsContact C-N 3.29Å; S405-E407 VanDerWaalsContact CB-OE2 3.29Å; S405-E407 WeakPolarHBondContact CB-OE2 3.33Å; S405-E407 PolarHBondContact OG-OE2 2.97Å; E407-N411 WeakPolarHBondContact O-CB 3.45Å; E407-N411 PolarHBondContact O-N 3Å; E407-N411 VanDerWaalsContact O-N 3.09Å; E407-N411 PolarHBondContact O-ND2 2.88Å; E407-R457 IonicContact OE1-CZ 2.9Å; E407-R457 IonicContact OE1-NH1 2.96Å; E407-R457 PolarHBondContact OE1-NH1 3.38Å; E407-R457 IonicContact OE1-NH2 3.23Å; E407-R457 IonicContact OE2-NH1 2.67Å |
| 408 | A | 92.2 | Very high | 91.7 | Very high | 23 Ų | 23 | 50.7 Ų | 50.7 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F10 E403 S405 R406 S412 | F10-A408 HydrophobicContact CE2-CB 4.28Å; F10-A408 HydrophobicContact CZ-CB 4.1Å; E403-A408 HydrophobicContact CB-CB 4.07Å; E403-A408 HydrophobicContact CG-CB 4.15Å; S405-A408 PolarHBondContact O-N 2.9Å; S405-A408 WeakPolarHBondContact OG-CB 3.34Å; S405-A408 PolarHBondContact OG-N 3.14Å; R406-A408 VanDerWaalsContact C-N 3.3Å; R406-A408 PolarHBondContact O-N 3.21Å; A408-S412 WeakPolarHBondContact O-CB 3.36Å; A408-S412 PolarHBondContact O-N 3.33Å |
| 409 | M | 90.1 | Very high | 91.7 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 15% | 0.148 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.5 | -48.7 | 174.7 | 178.2 | -169.8 | -97.8 | 0 | 0 | 111.6 | F10 I13 S405 R406 N411 S412 L504 | F10-M409 HydrophobicContact CB-CE 3.26Å; F10-M409 HydrophobicContact CB-CG 4.24Å; F10-M409 HydrophobicContact CD1-CB 4.22Å; F10-M409 HydrophobicContact CD1-CE 3.88Å; F10-M409 HydrophobicContact CD2-CB 3.76Å; F10-M409 HydrophobicContact CD2-CG 4.09Å; F10-M409 HydrophobicContact CE1-CB 4.27Å; F10-M409 HydrophobicContact CE2-CB 3.81Å; F10-M409 HydrophobicContact CG-CB 3.98Å; F10-M409 HydrophobicContact CG-CE 3.71Å; F10-M409 HydrophobicContact CG-CG 4.08Å; F10-M409 HydrophobicContact CZ-CB 4.08Å; I13-M409 HydrophobicContact CD1-CB 3.97Å; I13-M409 HydrophobicContact CD1-CE 3.62Å; I13-M409 HydrophobicContact CD1-CG 4.36Å; I13-M409 HydrophobicContact CD1-SD 3.54Å; I13-M409 VanDerWaalsContact CD1-SD 3.54Å; I13-M409 HydrophobicContact CG1-CE 3.52Å; I13-M409 HydrophobicContact CG1-SD 4.03Å; S405-M409 PolarHBondContact O-N 3.44Å; S405-M409 VanDerWaalsContact O-N 3.08Å; R406-M409 CarbonylContact O-C 3.59Å; R406-M409 WeakPolarHBondContact O-CA 3.46Å; R406-M409 WeakPolarHBondContact O-CB 3.36Å; R406-M409 PolarHBondContact O-N 2.79Å; R406-M409 VanDerWaalsContact O-N 3.09Å; M409-N411 VanDerWaalsContact C-N 3.29Å; M409-N411 PolarHBondContact O-N 2.73Å; M409-S412 VanDerWaalsContact O-CB 3.3Å; M409-S412 WeakPolarHBondContact O-CB 2.97Å; M409-S412 PolarHBondContact O-N 3.07Å; M409-S412 PolarHBondContact O-OG 3.06Å; M409-L504 HydrophobicContact CE-CD2 3.98Å; M409-L504 HydrophobicContact SD-CD2 4.45Å |
| 410 | E | 90.2 | Very high | 91.6 | Very high | 141 Ų | 141 | 47.6 Ų | 47.6 | 66% | 0.659 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62 | -36.2 | -179.2 | -72.9 | 170.7 | -176.3 | 0 | 0 | 112.3 | R406 S412 | R406-E410 WeakPolarHBondContact O-CG 3.22Å; R406-E410 PolarHBondContact O-N 2.61Å; E410-S412 VanDerWaalsContact C-N 3.26Å; E410-S412 PolarHBondContact O-N 2.71Å |
| 411 | N | 88.6 | Confident | 91.4 | Very high | 116 Ų | 116 | 52.2 Ų | 52.2 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 2.1 | 176.9 | -69.7 | -54.6 | 0 | 0 | 0 | 113.9 | E407 M409 K418 | E407-N411 WeakPolarHBondContact O-CB 3.45Å; E407-N411 PolarHBondContact O-N 3Å; E407-N411 VanDerWaalsContact O-N 3.09Å; E407-N411 PolarHBondContact O-ND2 2.88Å; M409-N411 VanDerWaalsContact C-N 3.29Å; M409-N411 PolarHBondContact O-N 2.73Å; N411-K418 PolarHBondContact O-NZ 2.67Å |
| 412 | S | 89 | Confident | 91.1 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -89.4 | 147.5 | 179.5 | 77.3 | 0 | 0 | 0 | 0 | 112.1 | A408 M409 E410 G415 K416 | A408-S412 WeakPolarHBondContact O-CB 3.36Å; A408-S412 PolarHBondContact O-N 3.33Å; M409-S412 VanDerWaalsContact O-CB 3.3Å; M409-S412 WeakPolarHBondContact O-CB 2.97Å; M409-S412 PolarHBondContact O-N 3.07Å; M409-S412 PolarHBondContact O-OG 3.06Å; E410-S412 VanDerWaalsContact C-N 3.26Å; E410-S412 PolarHBondContact O-N 2.71Å; S412-G415 WeakPolarHBondContact OG-CA 3.48Å; S412-G415 PolarHBondContact OG-N 3.09Å; S412-G415 VanDerWaalsContact OG-N 3.15Å; S412-K416 VanDerWaalsContact CB-O 3.25Å; S412-K416 WeakPolarHBondContact CB-O 3.46Å |
| 413 | I | 87.5 | Confident | 90.6 | Very high | 131 Ų | 131 | 55 Ų | 55 | 67% | 0.672 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -87.6 | 116.5 | 170.5 | -59.5 | 172 | 0 | 0 | 0 | 106.8 | G415 K416 | I413-G415 PolarHBondContact O-N 2.98Å; I413-K416 WeakPolarHBondContact O-CB 3.28Å; I413-K416 PolarHBondContact O-N 3.03Å; I413-K416 VanDerWaalsContact O-N 3.15Å |
| 414 | C | 85.4 | Confident | 89.8 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 34.4 | 179.3 | -163.4 | 0 | 0 | 0 | 0 | 113.6 | K416 | C414-K416 VanDerWaalsContact C-N 3.27Å; C414-K416 PolarHBondContact O-N 2.79Å |
| 415 | G | 88.1 | Confident | 88.4 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y9 F10 S412 I413 L417 | Y9-G415 CarbonylContact C-O 3.52Å; Y9-G415 VanDerWaalsContact CA-O 3.29Å; Y9-G415 WeakPolarHBondContact CA-O 3.42Å; F10-G415 WeakPolarHBondContact CD2-O 3.13Å; F10-G415 PolarHBondContact N-O 3.38Å; S412-G415 WeakPolarHBondContact OG-CA 3.48Å; S412-G415 PolarHBondContact OG-N 3.09Å; S412-G415 VanDerWaalsContact OG-N 3.15Å; I413-G415 PolarHBondContact O-N 2.98Å; G415-L417 PolarHBondContact O-N 3.21Å |
| 416 | K | 92.8 | Very high | 86.6 | Confident | 73 Ų | 73 | 62.2 Ų | 62.2 | 32% | 0.317 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -70.4 | 123.6 | -175.1 | -167.7 | -179.7 | 178.1 | -176.7 | 0 | 111.8 | E6 Y9 S412 I413 C414 | E6-K416 WeakPolarHBondContact O-CE 3.4Å; Y9-K416 HydrophobicContact CD1-CB 3.83Å; Y9-K416 HydrophobicContact CD1-CG 4.24Å; Y9-K416 HydrophobicContact CE1-CB 3.53Å; Y9-K416 HydrophobicContact CE1-CD 4.27Å; Y9-K416 HydrophobicContact CE1-CG 3.76Å; Y9-K416 HydrophobicContact CE2-CG 4.41Å; S412-K416 VanDerWaalsContact CB-O 3.25Å; S412-K416 WeakPolarHBondContact CB-O 3.46Å; I413-K416 WeakPolarHBondContact O-CB 3.28Å; I413-K416 PolarHBondContact O-N 3.03Å; I413-K416 VanDerWaalsContact O-N 3.15Å; C414-K416 VanDerWaalsContact C-N 3.27Å; C414-K416 PolarHBondContact O-N 2.79Å |
| 417 | L | 93.5 | Very high | 84.6 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -69 | 141.2 | 174.2 | -74.2 | 99.4 | 0 | 0 | 0 | 111.1 | W8 Y9 F10 F389 M402 E403 G415 L482 | W8-L417 HydrophobicContact CB-CB 4.19Å; W8-L417 HydrophobicContact CB-CD1 3.98Å; W8-L417 PolarHBondContact O-N 3.46Å; Y9-L417 VanDerWaalsContact C-CD1 3.41Å; F10-L417 HydrophobicContact CD2-CD1 3.83Å; F10-L417 HydrophobicContact CD2-CG 3.91Å; F10-L417 HydrophobicContact CE2-CD1 4.04Å; F10-L417 HydrophobicContact CE2-CD2 3.97Å; F10-L417 HydrophobicContact CE2-CG 3.61Å; F10-L417 HydrophobicContact CG-CD1 4.2Å; F10-L417 HydrophobicContact CZ-CD2 3.97Å; F10-L417 HydrophobicContact CZ-CG 4.13Å; F389-L417 HydrophobicContact CE1-CD2 3.8Å; F389-L417 HydrophobicContact CZ-CD2 4Å; M402-L417 HydrophobicContact CB-CD2 3.96Å; M402-L417 HydrophobicContact CG-CB 4.38Å; M402-L417 HydrophobicContact SD-CB 3.73Å; M402-L417 HydrophobicContact SD-CD2 4.34Å; E403-L417 VanDerWaalsContact O-CD2 3.27Å; E403-L417 WeakPolarHBondContact O-CD2 3.49Å; G415-L417 PolarHBondContact O-N 3.21Å; L417-L482 HydrophobicContact CD1-CD1 4.46Å; L417-L482 HydrophobicContact CD1-CD2 4.14Å; L417-L482 HydrophobicContact CD2-CD1 4.17Å |
| 418 | K | 90.1 | Very high | 82.4 | Confident | 134 Ų | 134 | 66.6 Ų | 66.6 | 58% | 0.583 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -102.7 | 125 | 177.8 | -69 | 174.4 | -177.3 | 164.2 | 0 | 109 | N411 | N411-K418 PolarHBondContact O-NZ 2.67Š|
| 419 | P | 91.4 | Very high | 79.6 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 143.8 | 170.4 | -26.6 | 36.3 | 0 | 0 | 0 | 111.9 | L400 L401 | L400-P419 HydrophobicContact CD1-CG 4.43Å; L400-P419 HydrophobicContact CD2-CB 3.97Å; L400-P419 HydrophobicContact CD2-CG 3.86Å; L401-P419 WeakPolarHBondContact O-CA 3.41Å |
| 420 | C | 90.5 | Very high | 76.8 | Confident | 25 Ų | 25 | 70.3 Ų | 70.3 | 17% | 0.169 | 42% | 0.419 | C | S | . | . | B | Isolated β-bridge | trans | -127.7 | 165.7 | 170 | 67.5 | 0 | 0 | 0 | 0 | 111.1 | L401 G446 | L401-C420 WeakPolarHBondContact CB-O 3.41Å; L401-C420 VanDerWaalsContact CD2-SG 3.53Å; L401-C420 VanDerWaalsContact CG-SG 3.59Å; L401-C420 PolarHBondContact O-N 2.82Å; C420-G446 CarbonylContact C-O 3.59Å; C420-G446 WeakPolarHBondContact CA-O 3.35Å; C420-G446 WeakPolarHBondContact CB-O 3.43Å |
| 421 | Q | 89.9 | Confident | 74 | Confident | 119 Ų | 119 | 69 Ų | 69 | 56% | 0.556 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.5 | 178.8 | -173 | -179.7 | 19.8 | 0 | 0 | 109.5 | G446 K447 V448 | Q421-G446 PolarHBondContact N-O 2.82Å; Q421-K447 WeakPolarHBondContact O-CA 3.36Å; Q421-V448 PolarHBondContact O-N 2.97Å |
| 422 | V | 89.7 | Confident | 71.2 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 11% | 0.109 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 131.3 | 172.3 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | Y351 L401 V448 V450 M453 | Y351-V422 HydrophobicContact CD1-CB 4.22Å; Y351-V422 HydrophobicContact CD1-CG1 4.18Å; Y351-V422 HydrophobicContact CD2-CB 4.44Å; Y351-V422 HydrophobicContact CD2-CG1 3.61Å; Y351-V422 HydrophobicContact CE1-CB 4.29Å; Y351-V422 HydrophobicContact CE1-CG1 4.45Å; Y351-V422 HydrophobicContact CE1-CG2 4.29Å; Y351-V422 HydrophobicContact CE2-CB 4.45Å; Y351-V422 HydrophobicContact CE2-CG1 3.88Å; Y351-V422 HydrophobicContact CE2-CG2 4.33Å; Y351-V422 HydrophobicContact CG-CB 4.3Å; Y351-V422 HydrophobicContact CG-CG1 3.75Å; L401-V422 HydrophobicContact CD2-CG2 3.53Å; V422-V448 CarbonylContact C-O 3.59Å; V422-V448 VanDerWaalsContact CA-O 3.29Å; V422-V448 WeakPolarHBondContact CA-O 3.11Å; V422-V450 HydrophobicContact CG1-CB 4.02Å; V422-M453 HydrophobicContact CG1-SD 4.32Å; V422-M453 HydrophobicContact CG2-SD 4.18Å |
| 423 | I | 85.8 | Confident | 68.3 | Low | 48 Ų | 48 | 72.6 Ų | 72.6 | 25% | 0.246 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 143.2 | 173.4 | 56.9 | 172.9 | 0 | 0 | 0 | 110.1 | K447 V448 N449 V450 | I423-K447 HydrophobicContact CD1-CB 4.38Å; I423-K447 HydrophobicContact CG2-CD 4.1Å; I423-V448 WeakPolarHBondContact CG1-O 3.19Å; I423-V448 PolarHBondContact N-O 3.27Å; I423-N449 HydrophobicContact CG1-CB 4.35Å; I423-V450 PolarHBondContact O-N 3.36Å |
| 424 | S | 78.5 | Confident | 65.4 | Low | 36 Ų | 36 | 70.5 Ų | 70.5 | 25% | 0.252 | 46% | 0.463 | S | S | . | . | trans | -115.2 | 146.3 | 171.4 | 63 | 0 | 0 | 0 | 0 | 109.7 | G426 T427 | S424-G426 PolarHBondContact O-N 3.41Å; S424-T427 PolarHBondContact O-N 2.97Å; S424-T427 PolarHBondContact O-OG1 3.11Å | ||
| 425 | D | 66.4 | Low | 62.7 | Low | 97 Ų | 97 | 73.8 Ų | 73.8 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -55.8 | -24.1 | -174.9 | -72.4 | -4.4 | 0 | 0 | 0 | 113.3 | T427 I428 N449 | D425-T427 VanDerWaalsContact C-N 3.31Å; D425-T427 PolarHBondContact O-N 2.8Å; D425-I428 PolarHBondContact O-N 3.2Å; D425-N449 PolarHBondContact OD1-ND2 3.3Å |
| 426 | G | 55.6 | Low | 59.8 | Low | 73 Ų | 73 | 79.2 Ų | 79.2 | 75% | 0.753 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -70.4 | -16.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S424 I428 | S424-G426 PolarHBondContact O-N 3.41Å; G426-I428 VanDerWaalsContact C-N 3.3Å |
| 427 | T | 50.1 | Low | 56.7 | Low | 102 Ų | 102 | 79.8 Ų | 79.8 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -81 | -9.4 | 174.2 | 43.2 | 0 | 0 | 0 | 0 | 113.3 | S424 D425 G429 | S424-T427 PolarHBondContact O-N 2.97Å; S424-T427 PolarHBondContact O-OG1 3.11Å; D425-T427 VanDerWaalsContact C-N 3.31Å; D425-T427 PolarHBondContact O-N 2.8Å; T427-G429 PolarHBondContact O-N 2.73Å |
| 428 | I | 44.4 | Very low | 53.5 | Low | 122 Ų | 122 | 83.5 Ų | 83.5 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | trans | -86.4 | 54.6 | 172.6 | -50 | 166.7 | 0 | 0 | 0 | 109 | D425 G426 G430 | D425-I428 PolarHBondContact O-N 3.2Å; G426-I428 VanDerWaalsContact C-N 3.3Å; I428-G430 PolarHBondContact O-N 3.36Å | ||
| 429 | G | 34.4 | Very low | 50.5 | Low | 78 Ų | 78 | 86.8 Ų | 86.8 | 80% | 0.804 | 60% | 0.597 | S | S | * | * | trans | -85.8 | 76.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T427 | T427-G429 PolarHBondContact O-N 2.73Š| ||
| 430 | G | 31.3 | Very low | 47.7 | Very low | 54 Ų | 54 | 88.2 Ų | 88.2 | 56% | 0.557 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 159 | 101.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I428 | I428-G430 PolarHBondContact O-N 3.36Š|
| 431 | S | 31.9 | Very low | 44.8 | Very low | 112 Ų | 112 | 98.1 Ų | 98.1 | 78% | 0.783 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 98.4 | 107.3 | 167 | -48.7 | 0 | 0 | 0 | 0 | 117.1 | ||
| 432 | S | 29.3 | Very low | 42 | Very low | 102 Ų | 102 | 98 Ų | 98 | 71% | 0.713 | 66% | 0.659 | S | S | * | * | trans | 67.4 | 100.8 | 147.8 | 57.9 | 0 | 0 | 0 | 0 | 119.1 | S434 | S432-S434 PolarHBondContact O-N 2.99Å; S432-S434 VanDerWaalsContact O-N 3.12Å | ||
| 433 | A | 27.8 | Very low | 39.4 | Very low | 110 Ų | 110 | 104.2 Ų | 104.2 | 91% | 0.909 | 68% | 0.681 | S | S | * | * | trans | -48.7 | 107.3 | 139.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 434 | S | 27.4 | Very low | 37.4 | Very low | 87 Ų | 87 | 104.4 Ų | 104.4 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | trans | -151.2 | 104.6 | 157 | 63.8 | 0 | 0 | 0 | 0 | 110 | S432 | S432-S434 PolarHBondContact O-N 2.99Å; S432-S434 VanDerWaalsContact O-N 3.12Å | ||
| 435 | S | 27.2 | Very low | 36.7 | Very low | 96 Ų | 96 | 112.3 Ų | 112.3 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | trans | 46 | 109.7 | 131.6 | 61.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 436 | S | 28.8 | Very low | 37.1 | Very low | 118 Ų | 118 | 109.3 Ų | 109.3 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | S | Bend | 39.8 | 109.2 | 127.5 | 59.7 | 0 | 0 | 0 | 0 | 117.8 | |||
| 437 | G | 26.5 | Very low | 38.5 | Very low | 85 Ų | 85 | 110 Ų | 110 | 88% | 0.876 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 114.6 | -0.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 438 | A | 26.4 | Very low | 40.3 | Very low | 84 Ų | 84 | 106.2 Ų | 106.2 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | trans | -116.3 | 19.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A440 | A438-A440 PolarHBondContact O-N 2.92Š| ||
| 439 | F | 27.9 | Very low | 42.4 | Very low | 202 Ų | 202 | 101.8 Ų | 101.8 | 89% | 0.886 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -8 | -178.6 | -111.5 | -87 | 0 | 0 | 0 | 115 | ||
| 440 | A | 32 | Very low | 45.1 | Very low | 85 Ų | 85 | 98.3 Ų | 98.3 | 70% | 0.702 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | 6.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | A438 | A438-A440 PolarHBondContact O-N 2.92Š|
| 441 | R | 30.3 | Very low | 47.7 | Very low | 233 Ų | 233 | 101.6 Ų | 101.6 | 88% | 0.879 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -132.8 | 19.2 | -168.3 | -61.7 | -164.7 | -159.6 | 179.8 | 7.2 | 119 | ||
| 442 | S | 30.9 | Very low | 50.4 | Low | 115 Ų | 115 | 99.8 Ų | 99.8 | 80% | 0.804 | 60% | 0.599 | S | S | * | * | trans | -149.2 | 50.8 | 167.6 | -157.1 | 0 | 0 | 0 | 0 | 112.1 | S444 | S442-S444 PolarHBondContact O-N 3.38Š| ||
| 443 | W | 34.8 | Very low | 53.3 | Low | 149 Ų | 149 | 95.6 Ų | 95.6 | 56% | 0.564 | 57% | 0.568 | S | S | * | * | trans | -74 | 93.6 | 159.2 | -70.4 | 56 | 0 | 0 | 0 | 104.6 | E445 C452 | W443-E445 PolarHBondContact O-N 2.91Å; W443-E445 VanDerWaalsContact O-N 3.14Å; W443-C452 HydrophobicContact CH2-CB 4.12Å | ||
| 444 | S | 44.5 | Very low | 56.4 | Low | 52 Ų | 52 | 93 Ų | 93 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | trans | -50.1 | 124 | 166.6 | 53.9 | 0 | 0 | 0 | 0 | 106.8 | S442 G446 K447 | S442-S444 PolarHBondContact O-N 3.38Å; S444-G446 PolarHBondContact O-N 2.97Å; S444-G446 VanDerWaalsContact O-N 3.12Å; S444-K447 PolarHBondContact O-N 2.97Å; S444-K447 WeakPolarHBondContact OG-CD 3.08Å; S444-K447 WeakPolarHBondContact OG-CE 3.43Å; S444-K447 VanDerWaalsContact OG-CG 3.29Å; S444-K447 WeakPolarHBondContact OG-CG 3.43Å | ||
| 445 | E | 62.6 | Low | 59.6 | Low | 202 Ų | 202 | 90.8 Ų | 90.8 | 94% | 0.944 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.4 | 119.6 | -176.4 | -66.1 | 178.4 | 165.5 | 0 | 0 | 110.2 | W443 | W443-E445 PolarHBondContact O-N 2.91Å; W443-E445 VanDerWaalsContact O-N 3.14Å |
| 446 | G | 74.7 | Confident | 62.8 | Low | 35 Ų | 35 | 91.3 Ų | 91.3 | 36% | 0.361 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.3 | 2.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | C420 Q421 S444 | C420-G446 CarbonylContact C-O 3.59Å; C420-G446 WeakPolarHBondContact CA-O 3.35Å; C420-G446 WeakPolarHBondContact CB-O 3.43Å; Q421-G446 PolarHBondContact N-O 2.82Å; S444-G446 PolarHBondContact O-N 2.97Å; S444-G446 VanDerWaalsContact O-N 3.12Å |
| 447 | K | 85.5 | Confident | 65.9 | Low | 88 Ų | 88 | 89.8 Ų | 89.8 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 135.6 | 170.1 | -66.3 | -170.1 | -167.2 | 166.9 | 0 | 112.2 | Q421 I423 S444 | Q421-K447 WeakPolarHBondContact O-CA 3.36Å; I423-K447 HydrophobicContact CD1-CB 4.38Å; I423-K447 HydrophobicContact CG2-CD 4.1Å; S444-K447 PolarHBondContact O-N 2.97Å; S444-K447 WeakPolarHBondContact OG-CD 3.08Å; S444-K447 WeakPolarHBondContact OG-CE 3.43Å; S444-K447 VanDerWaalsContact OG-CG 3.29Å; S444-K447 WeakPolarHBondContact OG-CG 3.43Å |
| 448 | V | 87 | Confident | 69.2 | Low | 21 Ų | 21 | 87.8 Ų | 87.8 | 13% | 0.127 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124.7 | -177.6 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | Y388 Q421 V422 I423 M453 | Y388-V448 WeakPolarHBondContact OH-CG2 3.19Å; Q421-V448 PolarHBondContact O-N 2.97Å; V422-V448 CarbonylContact C-O 3.59Å; V422-V448 VanDerWaalsContact CA-O 3.29Å; V422-V448 WeakPolarHBondContact CA-O 3.11Å; I423-V448 WeakPolarHBondContact CG1-O 3.19Å; I423-V448 PolarHBondContact N-O 3.27Å; V448-M453 HydrophobicContact CG1-CG 4.27Å |
| 449 | N | 89.7 | Confident | 72.6 | Confident | 29 Ų | 29 | 83.9 Ų | 83.9 | 16% | 0.155 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 134.4 | 174.3 | -168.8 | -37.7 | 0 | 0 | 0 | 109.8 | I423 D425 E451 C452 | I423-N449 HydrophobicContact CG1-CB 4.35Å; D425-N449 PolarHBondContact OD1-ND2 3.3Å; N449-E451 PolarHBondContact O-N 2.87Å; N449-E451 PolarHBondContact OD1-N 3.5Å; N449-C452 PolarHBondContact O-N 2.88Å |
| 450 | V | 89.7 | Confident | 76 | Confident | 6 Ų | 6 | 76.1 Ų | 76.1 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -53.8 | -29.3 | 173.4 | 63.8 | 0 | 0 | 0 | 0 | 113.6 | Y351 F352 K355 V422 I423 C452 | Y351-V450 HydrophobicContact CD2-CB 4.29Å; Y351-V450 HydrophobicContact CD2-CG2 3.68Å; Y351-V450 HydrophobicContact CE2-CG2 4.28Å; F352-V450 HydrophobicContact CD1-CG2 3.56Å; F352-V450 HydrophobicContact CE1-CG2 3.48Å; F352-V450 VanDerWaalsContact CE1-CG2 3.48Å; F352-V450 HydrophobicContact CG-CG2 4.48Å; F352-V450 HydrophobicContact CZ-CG2 4.35Å; K355-V450 HydrophobicContact CD-CG2 4.28Å; K355-V450 PolarHBondContact NZ-O 3.39Å; K355-V450 VanDerWaalsContact NZ-O 3.09Å; V422-V450 HydrophobicContact CG1-CB 4.02Å; I423-V450 PolarHBondContact O-N 3.36Å; V450-C452 VanDerWaalsContact C-N 3.28Å |
| 451 | E | 87.4 | Confident | 79.2 | Confident | 122 Ų | 122 | 73.5 Ų | 73.5 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -70.4 | -21.6 | 174 | -62.1 | -61.2 | 154.3 | 0 | 0 | 113.7 | K355 N449 | K355-E451 VanDerWaalsContact CE-CD 3.47Å; K355-E451 WeakPolarHBondContact CE-OE1 3.14Å; K355-E451 IonicContact NZ-OE1 2.7Å; K355-E451 PolarHBondContact NZ-OE1 3.21Å; K355-E451 IonicContact NZ-OE2 3.7Å; K355-E451 PolarHBondContact NZ-OE2 2.78Å; N449-E451 PolarHBondContact O-N 2.87Å; N449-E451 PolarHBondContact OD1-N 3.5Å |
| 452 | C | 88 | Confident | 82.4 | Confident | 75 Ų | 75 | 62.5 Ų | 62.5 | 51% | 0.507 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -97.8 | 3.4 | -178.2 | -58.2 | 0 | 0 | 0 | 0 | 112.8 | W443 N449 V450 | W443-C452 HydrophobicContact CH2-CB 4.12Å; N449-C452 PolarHBondContact O-N 2.88Å; V450-C452 VanDerWaalsContact C-N 3.28Å |
| 453 | M | 91 | Very high | 85.6 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.069 | 29% | 0.293 | C | S | . | . | trans | -74.2 | 130.4 | 179.6 | -70.5 | -173.7 | 69.9 | 0 | 0 | 111 | Y351 F352 N386 Y388 V422 V448 L455 | Y351-M453 HydrophobicContact CE2-CE 4.39Å; Y351-M453 HydrophobicContact CE2-SD 3.73Å; F352-M453 HydrophobicContact CE1-SD 4.3Å; F352-M453 HydrophobicContact CE2-SD 4.49Å; F352-M453 HydrophobicContact CZ-CE 4Å; F352-M453 HydrophobicContact CZ-SD 3.72Å; N386-M453 HydrophobicContact CB-CB 4.46Å; N386-M453 HydrophobicContact CB-CE 3.94Å; Y388-M453 HydrophobicContact CD2-CE 3.76Å; Y388-M453 HydrophobicContact CE2-CE 3.92Å; V422-M453 HydrophobicContact CG1-SD 4.32Å; V422-M453 HydrophobicContact CG2-SD 4.18Å; V448-M453 HydrophobicContact CG1-CG 4.27Å; M453-L455 PolarHBondContact O-N 3.04Å | ||
| 454 | D | 93 | Very high | 88.6 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 29% | 0.289 | 27% | 0.268 | S | S | . | . | trans | -78.1 | 106.9 | 169.7 | -174.7 | -6.4 | 0 | 0 | 0 | 109.8 | N386 T456 R457 | N386-D454 WeakPolarHBondContact CA-O 3.2Å; N386-D454 PolarHBondContact N-O 3.37Å; N386-D454 WeakPolarHBondContact OD1-CB 3.46Å; N386-D454 PolarHBondContact OD1-N 2.65Å; D454-T456 PolarHBondContact O-N 3.05Å; D454-T456 WeakPolarHBondContact OD1-CB 3.28Å; D454-T456 PolarHBondContact OD1-N 3.2Å; D454-T456 PolarHBondContact OD1-OG1 2.99Å; D454-T456 PolarHBondContact OD2-OG1 2.78Å; D454-R457 WeakPolarHBondContact OD2-CD 3.44Å; D454-R457 WeakPolarHBondContact OD2-CG 3.18Å; D454-R457 IonicContact OD2-NE 2.78Å | ||
| 455 | L | 94.6 | Very high | 91.1 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -76.3 | -11.2 | 179.4 | -57.4 | -178.8 | 0 | 0 | 0 | 112.9 | F352 L359 Y385 M453 K458 | F352-L455 HydrophobicContact CE1-CD2 4.01Å; F352-L455 HydrophobicContact CZ-CD2 3.88Å; L359-L455 HydrophobicContact CD2-CD1 3.65Å; L359-L455 HydrophobicContact CD2-CD2 4.39Å; Y385-L455 HydrophobicContact CD1-CB 4.12Å; Y385-L455 HydrophobicContact CD1-CD2 3.9Å; Y385-L455 WeakPolarHBondContact CD1-O 3.28Å; Y385-L455 HydrophobicContact CD2-CD2 4.08Å; Y385-L455 HydrophobicContact CE1-CB 4.47Å; Y385-L455 HydrophobicContact CE1-CD2 4.43Å; Y385-L455 HydrophobicContact CG-CD2 3.71Å; M453-L455 PolarHBondContact O-N 3.04Å; L455-K458 WeakPolarHBondContact O-CE 3.37Å; L455-K458 WeakPolarHBondContact O-CG 3.49Å |
| 456 | T | 92.8 | Very high | 92.4 | Very high | 108 Ų | 108 | 40.5 Ų | 40.5 | 66% | 0.663 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -81.1 | -27.6 | 178.4 | 70.9 | 0 | 0 | 0 | 0 | 112.2 | D454 | D454-T456 PolarHBondContact O-N 3.05Å; D454-T456 WeakPolarHBondContact OD1-CB 3.28Å; D454-T456 PolarHBondContact OD1-N 3.2Å; D454-T456 PolarHBondContact OD1-OG1 2.99Å; D454-T456 PolarHBondContact OD2-OG1 2.78Å |
| 457 | R | 94.6 | Very high | 93.2 | Very high | 85 Ų | 85 | 42.6 Ų | 42.6 | 32% | 0.321 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -84 | 114.2 | 173.4 | -69.9 | 179.9 | 180 | -143.8 | -5.1 | 109.6 | Y385 N386 N387 E407 D454 | Y385-R457 CarbonylContact C-O 3.57Å; Y385-R457 WeakPolarHBondContact CA-O 3.21Å; N386-R457 WeakPolarHBondContact CA-O 3.4Å; N386-R457 PolarHBondContact N-O 3.37Å; N387-R457 PolarHBondContact N-O 3.24Å; E407-R457 IonicContact OE1-CZ 2.9Å; E407-R457 IonicContact OE1-NH1 2.96Å; E407-R457 PolarHBondContact OE1-NH1 3.38Å; E407-R457 IonicContact OE1-NH2 3.23Å; E407-R457 IonicContact OE2-NH1 2.67Å; D454-R457 WeakPolarHBondContact OD2-CD 3.44Å; D454-R457 WeakPolarHBondContact OD2-CG 3.18Å; D454-R457 IonicContact OD2-NE 2.78Å |
| 458 | K | 96 | Very high | 93.4 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 19% | 0.191 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -137.1 | 137.5 | -173.1 | -42.6 | 180 | -170 | -177.9 | 0 | 110.6 | D367 F369 Y385 N387 L455 L460 | D367-K458 IonicContact OD1-NZ 3.71Å; D367-K458 PolarHBondContact OD1-NZ 2.8Å; D367-K458 WeakPolarHBondContact OD2-CD 3.49Å; D367-K458 WeakPolarHBondContact OD2-CE 3.35Å; D367-K458 IonicContact OD2-NZ 2.88Å; D367-K458 PolarHBondContact OD2-NZ 3.12Å; F369-K458 HydrophobicContact CE1-CB 4.47Å; Y385-K458 HydrophobicContact CD1-CD 4.29Å; Y385-K458 HydrophobicContact CD1-CG 3.95Å; Y385-K458 HydrophobicContact CE1-CD 4.04Å; Y385-K458 HydrophobicContact CE1-CG 4.21Å; N387-K458 PolarHBondContact OD1-N 2.78Å; L455-K458 WeakPolarHBondContact O-CE 3.37Å; L455-K458 WeakPolarHBondContact O-CG 3.49Å; K458-L460 HydrophobicContact CB-CD2 4.2Å; K458-L460 HydrophobicContact CB-CG 4.04Å; K458-L460 HydrophobicContact CD-CD2 4.39Å |
| 459 | L | 98.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 89.2 | 165 | -63 | 179.1 | 0 | 0 | 0 | 108.9 | F369 G383 S384 N387 F389 A404 L473 A474 Y480 | F369-L459 WeakPolarHBondContact CD1-O 3.5Å; G383-L459 VanDerWaalsContact CA-O 3.28Å; G383-L459 WeakPolarHBondContact CA-O 3.19Å; S384-L459 PolarHBondContact O-N 3.03Å; N387-L459 HydrophobicContact CB-CG 4.45Å; N387-L459 WeakPolarHBondContact O-CD1 3.04Å; F389-L459 HydrophobicContact CB-CD1 4.04Å; F389-L459 HydrophobicContact CD1-CD1 4.35Å; A404-L459 HydrophobicContact CB-CD1 3.96Å; L459-L473 HydrophobicContact CD1-CB 4.26Å; L459-L473 HydrophobicContact CD1-CD1 4.01Å; L459-L473 HydrophobicContact CD1-CD2 4.47Å; L459-L473 HydrophobicContact CD1-CG 4.48Å; L459-L473 HydrophobicContact CD2-CB 4.32Å; L459-A474 WeakPolarHBondContact CD2-O 3.36Å; L459-Y480 HydrophobicContact CD2-CD2 4.27Å; L459-Y480 HydrophobicContact CD2-CE2 4.26Å |
| 460 | L | 98.3 | Very high | 93.9 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -34.9 | -178.9 | -63.6 | 176.3 | 0 | 0 | 0 | 112.2 | D367 F369 E370 K458 | D367-L460 HydrophobicContact CB-CD2 4.03Å; F369-L460 HydrophobicContact CD1-CD2 3.86Å; F369-L460 HydrophobicContact CE1-CD2 3.72Å; F369-L460 HydrophobicContact CE2-CD2 4.43Å; F369-L460 HydrophobicContact CG-CD2 4.28Å; F369-L460 HydrophobicContact CZ-CD2 4.03Å; E370-L460 WeakPolarHBondContact CB-O 3.13Å; E370-L460 WeakPolarHBondContact CG-O 3.27Å; E370-L460 PolarHBondContact N-O 3.06Å; K458-L460 HydrophobicContact CB-CD2 4.2Å; K458-L460 HydrophobicContact CB-CG 4.04Å; K458-L460 HydrophobicContact CD-CD2 4.39Å |
| 461 | H | 98.7 | Very high | 94.3 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.8 | -171.3 | -45.9 | -67.9 | 0 | 0 | 0 | 111.9 | I26 S27 V29 E370 A474 | I26-H461 PolarHBondContact O-CD2 2.88Å; S27-H461 PolarHBondContact O-CE1 3.32Å; S27-H461 PolarHBondContact O-ND1 2.88Å; S27-H461 PolarHBondContact O-NE2 2.8Å; S27-H461 VanDerWaalsContact O-NE2 3.14Å; V29-H461 HydrophobicContact CG1-CB 3.96Å; E370-H461 IonicContact OE1-ND1 3.2Å; E370-H461 PolarHBondContact OE1-ND1 3.45Å; E370-H461 VanDerWaalsContact OE2-CA 3.26Å; E370-H461 WeakPolarHBondContact OE2-CA 3.39Å; E370-H461 IonicContact OE2-ND1 3.27Å; H461-A474 HydrophobicContact CB-CB 4.19Å; H461-A474 PolarHBondContact O-N 3.23Å |
| 462 | L | 98.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 153.7 | 179.5 | 64.6 | 89.8 | 0 | 0 | 0 | 112 | V29 E370 Q372 V381 L471 A472 L473 | V29-L462 VanDerWaalsContact CG1-C 3.48Å; E370-L462 HydrophobicContact CB-CG 4.41Å; E370-L462 PolarHBondContact OE2-N 2.62Å; Q372-L462 HydrophobicContact CB-CD1 3.55Å; Q372-L462 HydrophobicContact CG-CD1 3.47Å; Q372-L462 VanDerWaalsContact CG-CD1 3.47Å; Q372-L462 PolarHBondContact NE2-O 2.59Å; V381-L462 HydrophobicContact CG1-CD1 3.79Å; V381-L462 HydrophobicContact CG1-CD2 4.35Å; L462-L471 HydrophobicContact CD1-CD1 4.37Å; L462-A472 CarbonylContact C-O 3.56Å; L462-A472 WeakPolarHBondContact CA-O 3.42Å; L462-A472 WeakPolarHBondContact CB-O 3.45Å; L462-L473 HydrophobicContact CB-CD2 3.62Å; L462-L473 HydrophobicContact CD2-CD2 4.32Å |
| 463 | S | 98.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 128.3 | 170.3 | -166.1 | 0 | 0 | 0 | 0 | 111.7 | Y31 A472 | Y31-S463 WeakPolarHBondContact CE2-O 3.48Å; Y31-S463 PolarHBondContact N-OG 2.78Å; S463-A472 PolarHBondContact N-O 3.38Å; S463-A472 WeakPolarHBondContact O-CB 3.16Å; S463-A472 PolarHBondContact O-N 3.33Å |
| 464 | W | 97.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 4% | 0.038 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 136 | 172.4 | -142 | -37.3 | 0 | 0 | 0 | 109.9 | W8 S374 M379 V381 V391 Y469 L471 | W8-W464 HydrophobicContact CH2-CH2 4.17Å; W8-W464 AromaticContact CH2-CZ2 3.62Å; W8-W464 HydrophobicContact CH2-CZ2 3.62Å; W8-W464 HydrophobicContact CZ2-CH2 4.28Å; W8-W464 HydrophobicContact CZ2-CZ2 4.03Å; S374-W464 VanDerWaalsContact CA-CE3 3.49Å; M379-W464 HydrophobicContact CB-CH2 4.05Å; M379-W464 HydrophobicContact CE-CH2 4.18Å; M379-W464 HydrophobicContact CE-CZ2 4.21Å; V381-W464 HydrophobicContact CB-CE3 4.07Å; V381-W464 HydrophobicContact CB-CH2 4.48Å; V381-W464 HydrophobicContact CB-CZ3 3.66Å; V381-W464 HydrophobicContact CG1-CD2 4.41Å; V381-W464 HydrophobicContact CG1-CE3 3.39Å; V381-W464 HydrophobicContact CG1-CZ3 3.53Å; V391-W464 HydrophobicContact CG1-CH2 4.42Å; W464-Y469 HydrophobicContact CZ2-CD1 4.34Å; W464-L471 HydrophobicContact CB-CD1 4.11Å; W464-L471 HydrophobicContact CD2-CD1 4.12Å; W464-L471 HydrophobicContact CE3-CD1 4.42Å; W464-L471 HydrophobicContact CG-CD1 4.01Å |
| 465 | H | 95.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | trans | -58.7 | 141.3 | 171.7 | -173.9 | -78.6 | 0 | 0 | 0 | 110.7 | Y31 G35 R52 P375 S467 E468 T470 | Y31-H465 HydrophobicContact CD2-CB 4.34Å; Y31-H465 HydrophobicContact CE2-CB 4.25Å; G35-H465 VanDerWaalsContact CA-CD2 3.47Å; G35-H465 WeakPolarHBondContact CA-CD2 3.39Å; G35-H465 WeakPolarHBondContact CA-NE2 3.5Å; G35-H465 PolarHBondContact O-CD2 2.96Å; G35-H465 VanDerWaalsContact O-CD2 3.26Å; G35-H465 PolarHBondContact O-NE2 3.16Å; G35-H465 VanDerWaalsContact O-NE2 3.12Å; R52-H465 PolarHBondContact NH1-CE1 3.37Å; R52-H465 PolarHBondContact NH1-NE2 3.11Å; P375-H465 WeakPolarHBondContact CG-O 3.46Å; H465-S467 VanDerWaalsContact C-N 3.31Å; H465-S467 PolarHBondContact CE1-OG 2.65Å; H465-S467 VanDerWaalsContact CE1-OG 3.26Å; H465-S467 PolarHBondContact ND1-N 3.31Å; H465-S467 PolarHBondContact O-N 2.93Å; H465-E468 WeakPolarHBondContact CB-O 3.33Å; H465-E468 WeakPolarHBondContact ND1-CB 3.4Å; H465-E468 PolarHBondContact ND1-N 3.02Å; H465-E468 VanDerWaalsContact ND1-N 3.11Å; H465-T470 VanDerWaalsContact CB-O 3.25Å; H465-T470 WeakPolarHBondContact CB-O 3.07Å; H465-T470 PolarHBondContact N-O 2.88Å | ||
| 466 | S | 90.1 | Very high | 95.4 | Very high | 41 Ų | 41 | 30.4 Ų | 30.4 | 29% | 0.287 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -69.6 | -22.8 | -168.1 | 62.8 | 0 | 0 | 0 | 0 | 115.4 | K33 | K33-S466 WeakPolarHBondContact O-CB 3.41Å; K33-S466 PolarHBondContact O-OG 2.82Å |
| 467 | S | 91.1 | Very high | 95.3 | Very high | 79 Ų | 79 | 25.8 Ų | 25.8 | 55% | 0.552 | 13% | 0.134 | S | C | * | . | S | Bend | trans | -135.8 | -5.2 | -172.2 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | H465 | H465-S467 VanDerWaalsContact C-N 3.31Å; H465-S467 PolarHBondContact CE1-OG 2.65Å; H465-S467 VanDerWaalsContact CE1-OG 3.26Å; H465-S467 PolarHBondContact ND1-N 3.31Å; H465-S467 PolarHBondContact O-N 2.93Å |
| 468 | E | 91.5 | Very high | 95.4 | Very high | 69 Ų | 69 | 22 Ų | 22 | 32% | 0.322 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -134.4 | 156.8 | -175.8 | -63.7 | -171.7 | -149.8 | 0 | 0 | 109.1 | R52 P375 H465 T470 | R52-E468 IonicContact CZ-OE1 3.74Å; R52-E468 VanDerWaalsContact CZ-OE1 3.28Å; R52-E468 IonicContact CZ-OE2 2.6Å; R52-E468 VanDerWaalsContact NH1-CD 3.26Å; R52-E468 IonicContact NH1-OE1 2.99Å; R52-E468 PolarHBondContact NH1-OE1 3.17Å; R52-E468 IonicContact NH1-OE2 3.77Å; R52-E468 IonicContact NH2-OE1 3.92Å; R52-E468 PolarHBondContact NH2-OE1 3.27Å; R52-E468 IonicContact NH2-OE2 3.45Å; R52-E468 PolarHBondContact NH2-OE2 3.13Å; P375-E468 WeakPolarHBondContact CG-O 3.42Å; H465-E468 WeakPolarHBondContact CB-O 3.33Å; H465-E468 WeakPolarHBondContact ND1-CB 3.4Å; H465-E468 PolarHBondContact ND1-N 3.02Å; H465-E468 VanDerWaalsContact ND1-N 3.11Å; E468-T470 PolarHBondContact O-N 3.47Å |
| 469 | Y | 92.2 | Very high | 95.4 | Very high | 64 Ų | 64 | 20 Ų | 20 | 25% | 0.251 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -86 | 47.4 | -177.1 | -57.7 | -79.2 | 0 | 0 | 0 | 112.5 | P375 N376 M379 W464 Y484 | P375-Y469 HydrophobicContact CG-CD1 4.19Å; P375-Y469 HydrophobicContact CG-CE1 4.37Å; N376-Y469 PolarHBondContact ND2-OH 3.39Å; M379-Y469 HydrophobicContact CE-CD1 3.89Å; M379-Y469 HydrophobicContact CE-CE1 3.7Å; W464-Y469 HydrophobicContact CZ2-CD1 4.34Å; Y469-Y484 WeakPolarHBondContact CB-O 3.46Å; Y469-Y484 AromaticContact CD1-CD1 3.98Å; Y469-Y484 HydrophobicContact CD1-CD1 3.98Å; Y469-Y484 HydrophobicContact CD2-CD1 4.48Å; Y469-Y484 AromaticContact CG-CD1 3.9Å; Y469-Y484 HydrophobicContact CG-CD1 3.9Å; Y469-Y484 PolarHBondContact O-N 2.96Å |
| 470 | T | 95.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.018 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124.2 | 171.7 | -58 | 0 | 0 | 0 | 0 | 109 | H465 E468 L482 D483 | H465-T470 VanDerWaalsContact CB-O 3.25Å; H465-T470 WeakPolarHBondContact CB-O 3.07Å; H465-T470 PolarHBondContact N-O 2.88Å; E468-T470 PolarHBondContact O-N 3.47Å; T470-L482 CarbonylContact C-O 3.54Å; T470-L482 VanDerWaalsContact CA-O 3.29Å; T470-L482 WeakPolarHBondContact CA-O 3.25Å; T470-D483 WeakPolarHBondContact CB-OD1 3.42Å; T470-D483 WeakPolarHBondContact CG2-OD1 3.29Å; T470-D483 PolarHBondContact OG1-OD1 3.1Å |
| 471 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.7 | -177.8 | 179.6 | 67 | 0 | 0 | 0 | 109.6 | W8 V381 F389 L462 W464 L473 L481 L482 | W8-L471 HydrophobicContact CH2-CB 4.22Å; W8-L471 HydrophobicContact CH2-CD2 4.14Å; W8-L471 HydrophobicContact CZ3-CB 3.86Å; W8-L471 HydrophobicContact CZ3-CD2 4.11Å; V381-L471 HydrophobicContact CG1-CD1 4.04Å; V381-L471 HydrophobicContact CG2-CD2 3.8Å; F389-L471 HydrophobicContact CD2-CD2 4.13Å; F389-L471 HydrophobicContact CE2-CD2 4.12Å; L462-L471 HydrophobicContact CD1-CD1 4.37Å; W464-L471 HydrophobicContact CB-CD1 4.11Å; W464-L471 HydrophobicContact CD2-CD1 4.12Å; W464-L471 HydrophobicContact CE3-CD1 4.42Å; W464-L471 HydrophobicContact CG-CD1 4.01Å; L471-L473 HydrophobicContact CD2-CD1 4.18Å; L471-L473 HydrophobicContact CD2-CD2 3.94Å; L471-L473 HydrophobicContact CD2-CG 4.07Å; L471-L473 HydrophobicContact CG-CD2 4.13Å; L471-L473 HydrophobicContact CG-CG 4.1Å; L471-L481 WeakPolarHBondContact O-CA 3.47Å; L471-L482 PolarHBondContact N-O 2.8Å; L471-L482 PolarHBondContact O-N 3.12Å |
| 472 | A | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 130.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | V29 Y31 L38 L462 S463 L479 Y480 L481 | V29-A472 HydrophobicContact CG2-CB 4.1Å; Y31-A472 HydrophobicContact CE2-CB 3.79Å; L38-A472 HydrophobicContact CD1-CB 4.14Å; L38-A472 HydrophobicContact CD2-CB 3.81Å; L462-A472 CarbonylContact C-O 3.56Å; L462-A472 WeakPolarHBondContact CA-O 3.42Å; L462-A472 WeakPolarHBondContact CB-O 3.45Å; S463-A472 PolarHBondContact N-O 3.38Å; S463-A472 WeakPolarHBondContact O-CB 3.16Å; S463-A472 PolarHBondContact O-N 3.33Å; A472-L479 HydrophobicContact CB-CD1 4.21Å; A472-Y480 CarbonylContact C-O 3.56Å; A472-Y480 WeakPolarHBondContact CA-O 3.35Å; A472-L481 HydrophobicContact CB-CD2 3.6Å |
| 473 | L | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.1 | 176.8 | -61.9 | 167.9 | 0 | 0 | 0 | 108.6 | F389 A404 L459 L462 L471 Y480 L482 | F389-L473 HydrophobicContact CB-CD1 4.11Å; F389-L473 HydrophobicContact CB-CD2 4.28Å; F389-L473 HydrophobicContact CD1-CD1 3.52Å; F389-L473 HydrophobicContact CD2-CD1 4.08Å; F389-L473 HydrophobicContact CE1-CD1 3.88Å; F389-L473 HydrophobicContact CE2-CD1 4.39Å; F389-L473 HydrophobicContact CG-CD1 3.64Å; F389-L473 HydrophobicContact CZ-CD1 4.3Å; A404-L473 HydrophobicContact CB-CD1 3.86Å; L459-L473 HydrophobicContact CD1-CB 4.26Å; L459-L473 HydrophobicContact CD1-CD1 4.01Å; L459-L473 HydrophobicContact CD1-CD2 4.47Å; L459-L473 HydrophobicContact CD1-CG 4.48Å; L459-L473 HydrophobicContact CD2-CB 4.32Å; L462-L473 HydrophobicContact CB-CD2 3.62Å; L462-L473 HydrophobicContact CD2-CD2 4.32Å; L471-L473 HydrophobicContact CD2-CD1 4.18Å; L471-L473 HydrophobicContact CD2-CD2 3.94Å; L471-L473 HydrophobicContact CD2-CG 4.07Å; L471-L473 HydrophobicContact CG-CD2 4.13Å; L471-L473 HydrophobicContact CG-CG 4.1Å; L473-Y480 PolarHBondContact N-O 3.35Å; L473-Y480 WeakPolarHBondContact O-CD2 3.13Å; L473-Y480 PolarHBondContact O-N 2.9Å; L473-L482 HydrophobicContact CD1-CD1 3.52Å; L473-L482 HydrophobicContact CD1-CG 4.32Å |
| 474 | A | 97.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 2% | 0.017 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | I26 V29 L459 H461 | I26-A474 HydrophobicContact CB-CB 3.99Å; I26-A474 HydrophobicContact CD1-CB 4.25Å; I26-A474 HydrophobicContact CG2-CB 3.57Å; V29-A474 HydrophobicContact CG1-CB 4.47Å; L459-A474 WeakPolarHBondContact CD2-O 3.36Å; H461-A474 HydrophobicContact CB-CB 4.19Å; H461-A474 PolarHBondContact O-N 3.23Å |
| 475 | G | 91 | Very high | 94.3 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 114.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S477 S478 | G475-S477 PolarHBondContact O-N 3.32Å; G475-S477 VanDerWaalsContact O-N 3.15Å; G475-S478 PolarHBondContact N-O 3.45Å; G475-S478 PolarHBondContact O-N 3.01Å |
| 476 | T | 90.2 | Very high | 93.2 | Very high | 55 Ų | 55 | 23.3 Ų | 23.3 | 34% | 0.337 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -116.3 | -174.3 | -49.1 | 0 | 0 | 0 | 0 | 110.4 | V20 I25 I26 | V20-T476 HydrophobicContact CB-CG2 4.39Å; V20-T476 HydrophobicContact CG1-CG2 3.58Å; V20-T476 HydrophobicContact CG2-CG2 4.24Å; I25-T476 HydrophobicContact CG1-CG2 4.12Å; I26-T476 PolarHBondContact N-O 2.97Å |
| 477 | S | 92.2 | Very high | 92 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 8% | 0.084 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 4.6 | 177.8 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | T16 V20 D24 G475 | T16-S477 PolarHBondContact O-OG 3.47Å; V20-S477 WeakPolarHBondContact CG2-OG 3.44Å; D24-S477 WeakPolarHBondContact O-CA 3.33Å; D24-S477 WeakPolarHBondContact O-CB 3.31Å; G475-S477 PolarHBondContact O-N 3.32Å; G475-S477 VanDerWaalsContact O-N 3.15Å |
| 478 | S | 95.5 | Very high | 90.2 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 136.7 | -175.9 | -68.9 | 0 | 0 | 0 | 0 | 112 | K14 G475 | K14-S478 CarbonylContact O-C 3.47Å; K14-S478 VanDerWaalsContact O-CA 3.3Å; K14-S478 WeakPolarHBondContact O-CA 3.42Å; G475-S478 PolarHBondContact N-O 3.45Å; G475-S478 PolarHBondContact O-N 3.01Å |
| 479 | L | 97.4 | Very high | 87.7 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 117.4 | 173.7 | -179.2 | 68.3 | 0 | 0 | 0 | 109.1 | I13 K14 I26 V29 L38 T40 F50 A472 L481 | I13-L479 CarbonylContact C-O 3.55Å; I13-L479 WeakPolarHBondContact CA-O 3.48Å; K14-L479 HydrophobicContact CB-CB 4.28Å; K14-L479 PolarHBondContact N-O 3.43Å; K14-L479 PolarHBondContact O-N 2.96Å; I26-L479 HydrophobicContact CD1-CB 4.12Å; V29-L479 HydrophobicContact CG2-CD1 4.07Å; L38-L479 HydrophobicContact CD2-CD2 3.78Å; T40-L479 HydrophobicContact CG2-CD1 4.09Å; T40-L479 HydrophobicContact CG2-CD2 3.95Å; F50-L479 HydrophobicContact CD2-CD2 4.17Å; F50-L479 HydrophobicContact CE2-CD2 3.75Å; F50-L479 HydrophobicContact CZ-CD2 4.06Å; A472-L479 HydrophobicContact CB-CD1 4.21Å; L479-L481 HydrophobicContact CD2-CD2 4.28Å; L479-L481 HydrophobicContact CG-CD2 4.21Å |
| 480 | Y | 97.5 | Very high | 85 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.8 | 178 | -50.7 | -87.6 | 0 | 0 | 0 | 109.4 | F10 I13 A404 L459 A472 L473 | F10-Y480 HydrophobicContact CE1-CD1 4.37Å; I13-Y480 HydrophobicContact CB-CD1 4.4Å; I13-Y480 HydrophobicContact CD1-CD1 3.86Å; I13-Y480 HydrophobicContact CD1-CE1 4.05Å; I13-Y480 HydrophobicContact CG1-CD1 3.81Å; I13-Y480 HydrophobicContact CG1-CE1 4.36Å; I13-Y480 HydrophobicContact CG2-CD1 3.8Å; I13-Y480 HydrophobicContact CG2-CE1 3.79Å; A404-Y480 HydrophobicContact CB-CD1 4.3Å; A404-Y480 HydrophobicContact CB-CD2 4.08Å; A404-Y480 HydrophobicContact CB-CG 3.89Å; A404-Y480 WeakPolarHBondContact O-CE1 3.4Å; A404-Y480 WeakPolarHBondContact O-CE2 3.23Å; A404-Y480 VanDerWaalsContact O-CZ 3.23Å; L459-Y480 HydrophobicContact CD2-CD2 4.27Å; L459-Y480 HydrophobicContact CD2-CE2 4.26Å; A472-Y480 CarbonylContact C-O 3.56Å; A472-Y480 WeakPolarHBondContact CA-O 3.35Å; L473-Y480 PolarHBondContact N-O 3.35Å; L473-Y480 WeakPolarHBondContact O-CD2 3.13Å; L473-Y480 PolarHBondContact O-N 2.9Å |
| 481 | L | 97.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.9 | 175.8 | -58.9 | 179.4 | 0 | 0 | 0 | 108.6 | N11 Q12 L38 H64 L471 A472 L479 | N11-L481 WeakPolarHBondContact CA-O 3.18Å; N11-L481 HydrophobicContact CB-CB 4.33Å; N11-L481 VanDerWaalsContact CB-O 3.32Å; N11-L481 WeakPolarHBondContact CB-O 3.07Å; N11-L481 PolarHBondContact N-O 2.9Å; Q12-L481 HydrophobicContact CB-CB 4.23Å; Q12-L481 HydrophobicContact CB-CD1 4.13Å; Q12-L481 PolarHBondContact N-O 3.03Å; Q12-L481 PolarHBondContact O-N 3.27Å; L38-L481 HydrophobicContact CD2-CD2 3.71Å; H64-L481 HydrophobicContact CB-CD1 3.52Å; H64-L481 VanDerWaalsContact CG-CD1 3.42Å; H64-L481 WeakPolarHBondContact ND1-CD1 3.31Å; L471-L481 WeakPolarHBondContact O-CA 3.47Å; A472-L481 HydrophobicContact CB-CD2 3.6Å; L479-L481 HydrophobicContact CD2-CD2 4.28Å; L479-L481 HydrophobicContact CG-CD2 4.21Å |
| 482 | L | 96.3 | Very high | 78.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.6 | -173.8 | -48 | -175.6 | 0 | 0 | 0 | 110.3 | W8 Y9 F10 F389 L417 T470 L471 L473 | W8-L482 HydrophobicContact CE3-CB 4.07Å; W8-L482 HydrophobicContact CZ3-CB 4.29Å; Y9-L482 CarbonylContact O-C 3.59Å; Y9-L482 VanDerWaalsContact O-CA 3.3Å; Y9-L482 WeakPolarHBondContact O-CA 3.29Å; F10-L482 HydrophobicContact CB-CD2 4.39Å; F10-L482 HydrophobicContact CD1-CD2 3.3Å; F10-L482 HydrophobicContact CE1-CD2 3.68Å; F10-L482 HydrophobicContact CG-CD2 3.94Å; F389-L482 HydrophobicContact CD1-CD1 4.43Å; F389-L482 HydrophobicContact CE1-CD1 3.53Å; F389-L482 HydrophobicContact CE2-CD1 4.09Å; F389-L482 HydrophobicContact CZ-CD1 3.32Å; L417-L482 HydrophobicContact CD1-CD1 4.46Å; L417-L482 HydrophobicContact CD1-CD2 4.14Å; L417-L482 HydrophobicContact CD2-CD1 4.17Å; T470-L482 CarbonylContact C-O 3.54Å; T470-L482 VanDerWaalsContact CA-O 3.29Å; T470-L482 WeakPolarHBondContact CA-O 3.25Å; L471-L482 PolarHBondContact N-O 2.8Å; L471-L482 PolarHBondContact O-N 3.12Å; L473-L482 HydrophobicContact CD1-CD1 3.52Å; L473-L482 HydrophobicContact CD1-CG 4.32Å |
| 483 | D | 94.5 | Very high | 75.7 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.4 | 175.2 | -69.8 | -29.2 | 0 | 0 | 0 | 110.9 | W8 Y9 N11 T470 Y485 | W8-D483 CarbonylContact C-O 3.58Å; W8-D483 WeakPolarHBondContact CA-O 3.37Å; Y9-D483 PolarHBondContact N-O 3.09Å; Y9-D483 PolarHBondContact O-N 2.87Å; N11-D483 PolarHBondContact ND2-OD2 3.22Å; T470-D483 WeakPolarHBondContact CB-OD1 3.42Å; T470-D483 WeakPolarHBondContact CG2-OD1 3.29Å; T470-D483 PolarHBondContact OG1-OD1 3.1Å; D483-Y485 HydrophobicContact CB-CD2 4.33Å; D483-Y485 HydrophobicContact CB-CE2 3.43Å; D483-Y485 VanDerWaalsContact CB-CE2 3.43Å; D483-Y485 PolarHBondContact OD2-OH 2.9Å; D483-Y485 VanDerWaalsContact OD2-OH 3.12Å |
| 484 | Y | 92.9 | Very high | 72.5 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.4 | 174.1 | 170.5 | -110.8 | 0 | 0 | 0 | 112.5 | V3 N4 G7 W8 M379 Y469 P486 | V3-Y484 HydrophobicContact CG1-CE1 4.44Å; V3-Y484 WeakPolarHBondContact CG1-OH 3.43Å; N4-Y484 WeakPolarHBondContact O-CE2 3.48Å; N4-Y484 PolarHBondContact O-OH 3.14Å; G7-Y484 WeakPolarHBondContact O-CA 3.46Å; W8-Y484 AromaticContact CD1-CD2 3.76Å; W8-Y484 HydrophobicContact CD2-CD2 4.03Å; W8-Y484 HydrophobicContact CD2-CG 4.21Å; W8-Y484 AromaticContact CE2-CD2 3.72Å; W8-Y484 AromaticContact CE2-CG 3.84Å; W8-Y484 HydrophobicContact CG-CD2 4.03Å; W8-Y484 HydrophobicContact CH2-CG 4.48Å; W8-Y484 HydrophobicContact CZ2-CD2 4.3Å; W8-Y484 AromaticContact CZ2-CG 3.99Å; W8-Y484 HydrophobicContact CZ2-CG 3.99Å; W8-Y484 AromaticContact NE1-CD2 3.52Å; M379-Y484 HydrophobicContact CE-CD1 4.02Å; M379-Y484 HydrophobicContact CE-CE1 3.77Å; M379-Y484 HydrophobicContact SD-CE1 4.22Å; Y469-Y484 WeakPolarHBondContact CB-O 3.46Å; Y469-Y484 AromaticContact CD1-CD1 3.98Å; Y469-Y484 HydrophobicContact CD1-CD1 3.98Å; Y469-Y484 HydrophobicContact CD2-CD1 4.48Å; Y469-Y484 AromaticContact CG-CD1 3.9Å; Y469-Y484 HydrophobicContact CG-CD1 3.9Å; Y469-Y484 PolarHBondContact O-N 2.96Å; Y484-P486 HydrophobicContact CE1-CB 3.83Å; Y484-P486 HydrophobicContact CE1-CG 4.14Å; Y484-P486 WeakPolarHBondContact OH-CB 2.91Å |
| 485 | Y | 88.1 | Confident | 69.5 | Low | 82 Ų | 82 | 66 Ų | 66 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | trans | -121.9 | 96.3 | -178.9 | -59.5 | -84.4 | 0 | 0 | 0 | 110.4 | G7 Y9 D483 N487 R500 | G7-Y485 PolarHBondContact O-N 3.04Å; Y9-Y485 AromaticContact CD2-CD2 3.71Å; Y9-Y485 HydrophobicContact CD2-CD2 3.71Å; Y9-Y485 HydrophobicContact CD2-CE2 4.21Å; Y9-Y485 HydrophobicContact CE2-CD2 4.19Å; D483-Y485 HydrophobicContact CB-CD2 4.33Å; D483-Y485 HydrophobicContact CB-CE2 3.43Å; D483-Y485 VanDerWaalsContact CB-CE2 3.43Å; D483-Y485 PolarHBondContact OD2-OH 2.9Å; D483-Y485 VanDerWaalsContact OD2-OH 3.12Å; Y485-N487 PolarHBondContact O-N 3.04Å; Y485-N487 VanDerWaalsContact O-N 3.17Å; Y485-R500 PolarHBondContact OH-NH2 2.96Å | ||
| 486 | P | 73 | Confident | 66.9 | Low | 52 Ų | 52 | 71 Ų | 71 | 34% | 0.338 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -24.7 | -174.5 | 20.7 | -31.6 | 0 | 0 | 0 | 114.3 | Y484 | Y484-P486 HydrophobicContact CE1-CB 3.83Å; Y484-P486 HydrophobicContact CE1-CG 4.14Å; Y484-P486 WeakPolarHBondContact OH-CB 2.91Å |
| 487 | N | 64.7 | Low | 64.4 | Low | 144 Ų | 144 | 73.2 Ų | 73.2 | 77% | 0.77 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | 22.4 | -169.9 | -76.1 | -32.1 | 0 | 0 | 0 | 115 | Y485 R489 | Y485-N487 PolarHBondContact O-N 3.04Å; Y485-N487 VanDerWaalsContact O-N 3.17Å; N487-R489 PolarHBondContact O-N 3.32Å |
| 488 | S | 52.1 | Low | 61.7 | Low | 60 Ų | 60 | 76.3 Ų | 76.3 | 42% | 0.42 | 40% | 0.403 | S | S | . | . | trans | -72.4 | 52.8 | 172.4 | 60 | 0 | 0 | 0 | 0 | 112.4 | Q490 | S488-Q490 PolarHBondContact O-N 2.74Å; S488-Q490 VanDerWaalsContact O-N 3.16Å | ||
| 489 | R | 39.5 | Very low | 59 | Low | 215 Ų | 215 | 80.3 Ų | 80.3 | 81% | 0.811 | 42% | 0.421 | S | S | * | . | trans | -67.3 | 109.4 | 160.3 | -77.8 | -173.3 | 178.2 | -159.6 | -0.7 | 107.6 | N487 S491 | N487-R489 PolarHBondContact O-N 3.32Å; R489-S491 PolarHBondContact O-N 3.37Å | ||
| 490 | Q | 36.6 | Very low | 56.6 | Low | 197 Ų | 197 | 82.7 Ų | 82.7 | 92% | 0.921 | 43% | 0.43 | S | S | * | . | trans | 16.3 | 56 | 153.1 | -67.7 | -179.7 | -14.4 | 0 | 0 | 115.7 | S488 S492 | S488-Q490 PolarHBondContact O-N 2.74Å; S488-Q490 VanDerWaalsContact O-N 3.16Å; Q490-S492 PolarHBondContact O-N 2.84Å | ||
| 491 | S | 32.2 | Very low | 53.9 | Low | 86 Ų | 86 | 86 Ų | 86 | 60% | 0.601 | 45% | 0.451 | S | S | * | . | trans | -78.2 | 95.1 | 163.9 | 42.1 | 0 | 0 | 0 | 0 | 103.8 | R489 | R489-S491 PolarHBondContact O-N 3.37Š| ||
| 492 | S | 31.1 | Very low | 51.1 | Low | 91 Ų | 91 | 91.7 Ų | 91.7 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | trans | 29.9 | 105.4 | 156.1 | 54 | 0 | 0 | 0 | 0 | 114.7 | Q490 N494 | Q490-S492 PolarHBondContact O-N 2.84Å; S492-N494 PolarHBondContact O-N 3.17Å | ||
| 493 | H | 31.9 | Very low | 48.5 | Very low | 149 Ų | 149 | 97 Ų | 97 | 69% | 0.69 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -25.1 | 111.7 | 154 | -86.9 | -63.2 | 0 | 0 | 0 | 110.3 | E497 | H493-E497 IonicContact CE1-OE2 3.51Å; H493-E497 IonicContact ND1-OE2 2.69Å; H493-E497 PolarHBondContact ND1-OE2 3.46Å; H493-E497 VanDerWaalsContact ND1-OE2 3.14Å |
| 494 | N | 32.1 | Very low | 46.2 | Very low | 139 Ų | 139 | 99.9 Ų | 99.9 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 152.5 | -9.3 | 144.4 | -75.1 | -22.6 | 0 | 0 | 0 | 116.3 | S492 S498 | S492-N494 PolarHBondContact O-N 3.17Å; N494-S498 PolarHBondContact O-OG 2.72Å; N494-S498 VanDerWaalsContact O-OG 3.14Å |
| 495 | S | 34.3 | Very low | 43.8 | Very low | 73 Ų | 73 | 106.6 Ų | 106.6 | 51% | 0.51 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -111.9 | -32.2 | -177.9 | 56.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 496 | I | 36 | Very low | 41.2 | Very low | 106 Ų | 106 | 109.3 Ų | 109.3 | 54% | 0.544 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -92.9 | -33.1 | -178.2 | -62.8 | 171.1 | 0 | 0 | 0 | 111.9 | ||
| 497 | E | 36.9 | Very low | 39.2 | Very low | 101 Ų | 101 | 110.2 Ų | 110.2 | 47% | 0.472 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | -32.3 | -175.3 | -74.9 | 176.9 | 150.3 | 0 | 0 | 113.7 | H493 | H493-E497 IonicContact CE1-OE2 3.51Å; H493-E497 IonicContact ND1-OE2 2.69Å; H493-E497 PolarHBondContact ND1-OE2 3.46Å; H493-E497 VanDerWaalsContact ND1-OE2 3.14Å |
| 498 | S | 35.5 | Very low | 37.5 | Very low | 77 Ų | 77 | 109.8 Ų | 109.8 | 54% | 0.538 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | -7.2 | -173.4 | 41.7 | 0 | 0 | 0 | 0 | 114.6 | N494 | N494-S498 PolarHBondContact O-OG 2.72Å; N494-S498 VanDerWaalsContact O-OG 3.14Å |
| 499 | Q | 38.8 | Very low | 36.5 | Very low | 89 Ų | 89 | 112 Ų | 112 | 42% | 0.416 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -111.3 | -3.1 | -171.5 | -64.5 | -176 | -25.5 | 0 | 0 | 115 | Q59 | Q59-Q499 VanDerWaalsContact NE2-OE1 3.17Å; Q59-Q499 VanDerWaalsContact OE1-OE1 3.05Å |
| 500 | R | 47.5 | Very low | 36 | Very low | 52 Ų | 52 | 109.9 Ų | 109.9 | 20% | 0.196 | 61% | 0.607 | C | S | . | * | S | Bend | trans | -99.6 | -19.1 | -176.1 | -83.5 | -173.2 | 170.5 | -175.7 | -3.1 | 115.3 | Y485 D502 | Y485-R500 PolarHBondContact OH-NH2 2.96Å; R500-D502 PolarHBondContact O-N 2.97Å |
| 501 | T | 39.8 | Very low | 35.5 | Very low | 80 Ų | 80 | 107.1 Ų | 107.1 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.7 | -27.3 | -173.8 | 48.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 502 | D | 38.9 | Very low | 35.3 | Very low | 121 Ų | 121 | 108.3 Ų | 108.3 | 65% | 0.647 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -22 | -169 | -64.6 | -7.1 | 0 | 0 | 0 | 113.8 | R500 | R500-D502 PolarHBondContact O-N 2.97Š|
| 503 | H | 41.9 | Very low | 35.1 | Very low | 112 Ų | 112 | 108.4 Ų | 108.4 | 52% | 0.519 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90 | -23.6 | -179.3 | -80.6 | -81.3 | 0 | 0 | 0 | 114.1 | E55 M505 | E55-H503 IonicContact OE2-CE1 3.81Å; E55-H503 IonicContact OE2-ND1 3.14Å; H503-M505 VanDerWaalsContact C-N 3.32Å; H503-M505 PolarHBondContact O-N 3.09Å |
| 504 | L | 46.8 | Very low | 34.9 | Very low | 64 Ų | 64 | 108.3 Ų | 108.3 | 34% | 0.335 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.5 | -21.6 | -173 | -73 | 163.8 | 0 | 0 | 0 | 113.6 | M409 | M409-L504 HydrophobicContact CE-CD2 3.98Å; M409-L504 HydrophobicContact SD-CD2 4.45Å |
| 505 | M | 41.5 | Very low | 34.8 | Very low | 148 Ų | 148 | 110.2 Ų | 110.2 | 73% | 0.729 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -5.1 | -174 | -67.6 | -67.4 | -179.4 | 0 | 0 | 114.9 | H503 | H503-M505 VanDerWaalsContact C-N 3.32Å; H503-M505 PolarHBondContact O-N 3.09Å |
| 506 | N | 33.7 | Very low | 34.6 | Very low | 139 Ų | 139 | 113.9 Ų | 113.9 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | trans | -107.4 | 20.9 | -173.3 | -76.2 | -15.4 | 0 | 0 | 0 | 114.4 | D508 | N506-D508 VanDerWaalsContact C-N 3.27Å; N506-D508 PolarHBondContact O-N 2.84Å | ||
| 507 | G | 31.2 | Very low | 34.2 | Very low | 72 Ų | 72 | 114.9 Ų | 114.9 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | trans | -86.4 | 42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 508 | D | 30.1 | Very low | 33.8 | Very low | 135 Ų | 135 | 116.8 Ų | 116.8 | 72% | 0.722 | 66% | 0.655 | S | S | * | * | trans | -129.1 | 130.1 | -178.6 | -90 | -27.1 | 0 | 0 | 0 | 112.6 | N506 | N506-D508 VanDerWaalsContact C-N 3.27Å; N506-D508 PolarHBondContact O-N 2.84Å | ||
| 509 | V | 30.8 | Very low | 33.4 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 64% | 0.642 | 66% | 0.664 | S | S | * | * | trans | 61.7 | 84.5 | 156.9 | -165.4 | 0 | 0 | 0 | 0 | 117.2 | D511 | V509-D511 HydrophobicContact CG1-CB 3.82Š| ||
| 510 | N | 27.4 | Very low | 33 | Very low | 171 Ų | 171 | 121.9 Ų | 121.9 | 91% | 0.914 | 68% | 0.678 | S | S | * | * | trans | -97.5 | 74.5 | 143.9 | -90.4 | -19.1 | 0 | 0 | 0 | 108.2 | S512 | N510-S512 VanDerWaalsContact C-N 3.27Å; N510-S512 PolarHBondContact O-N 2.88Å | ||
| 511 | D | 28 | Very low | 32.1 | Very low | 139 Ų | 139 | 126 Ų | 126 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | trans | -67.2 | 91.1 | 159.6 | -103.8 | -24.4 | 0 | 0 | 0 | 107.6 | V509 S513 | V509-D511 HydrophobicContact CG1-CB 3.82Å; D511-S513 PolarHBondContact O-N 3.18Å | ||
| 512 | S | 27.7 | Very low | 31.7 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -75.7 | 73.4 | 166.8 | 58.2 | 0 | 0 | 0 | 0 | 108.9 | N510 N514 | N510-S512 VanDerWaalsContact C-N 3.27Å; N510-S512 PolarHBondContact O-N 2.88Å; S512-N514 PolarHBondContact O-N 2.7Å | ||
| 513 | S | 27.1 | Very low | 31.4 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | trans | -74.7 | 72.8 | 169.7 | 64.8 | 0 | 0 | 0 | 0 | 110.1 | D511 H515 | D511-S513 PolarHBondContact O-N 3.18Å; S513-H515 VanDerWaalsContact C-N 3.31Å; S513-H515 PolarHBondContact O-N 3.31Å | ||
| 514 | N | 27.4 | Very low | 31 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | -86.7 | 77.3 | 162.8 | -88.7 | -13.6 | 0 | 0 | 0 | 108.7 | S512 D516 | S512-N514 PolarHBondContact O-N 2.7Å; N514-D516 PolarHBondContact O-N 3.05Å; N514-D516 VanDerWaalsContact O-N 3.09Å | ||
| 515 | H | 29.2 | Very low | 30.3 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -79.2 | 78.7 | 164.1 | -89.6 | -56.8 | 0 | 0 | 0 | 109.2 | S513 V517 | S513-H515 VanDerWaalsContact C-N 3.31Å; S513-H515 PolarHBondContact O-N 3.31Å; H515-V517 PolarHBondContact O-N 3Å | ||
| 516 | D | 29.7 | Very low | 30 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | -75.2 | 113.2 | 163.4 | -91 | -30.5 | 0 | 0 | 0 | 109.4 | N514 N518 | N514-D516 PolarHBondContact O-N 3.05Å; N514-D516 VanDerWaalsContact O-N 3.09Å; D516-N518 PolarHBondContact O-N 3.39Å; D516-N518 VanDerWaalsContact O-N 3.16Å | ||
| 517 | V | 27.5 | Very low | 29.9 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -58.6 | 108 | 170.9 | 175.3 | 0 | 0 | 0 | 0 | 109 | H515 | H515-V517 PolarHBondContact O-N 3Š| ||
| 518 | N | 30.2 | Very low | 30.1 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -124.6 | 85.1 | 165.2 | -128.9 | -7.4 | 0 | 0 | 0 | 110.5 | D516 N520 | D516-N518 PolarHBondContact O-N 3.39Å; D516-N518 VanDerWaalsContact O-N 3.16Å; N518-N520 PolarHBondContact O-N 2.92Å; N518-N520 VanDerWaalsContact O-N 3.08Å | ||
| 519 | N | 26.4 | Very low | 30.3 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -60.5 | 98.4 | 160.8 | -102 | -21.1 | 0 | 0 | 0 | 108.7 | ||||
| 520 | N | 31 | Very low | 30.3 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -128.5 | 93.4 | 160.6 | -97.7 | -21.5 | 0 | 0 | 0 | 110 | N518 N522 | N518-N520 PolarHBondContact O-N 2.92Å; N518-N520 VanDerWaalsContact O-N 3.08Å; N520-N522 PolarHBondContact O-N 2.96Å | ||
| 521 | N | 28.3 | Very low | 30.5 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -54.4 | 108.5 | 160.8 | -68.8 | -43.2 | 0 | 0 | 0 | 109.6 | ||||
| 522 | N | 31.8 | Very low | 30.6 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -126.3 | 94.4 | 157.3 | -88.3 | -27.1 | 0 | 0 | 0 | 108.7 | N520 T524 | N520-N522 PolarHBondContact O-N 2.96Å; N522-T524 PolarHBondContact O-N 2.98Å | ||
| 523 | I | 31.6 | Very low | 30.8 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 80% | 0.795 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 105.2 | 166.8 | -63.9 | 162.9 | 0 | 0 | 0 | 106.6 | ||||
| 524 | T | 33.1 | Very low | 31 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | trans | -111.5 | 89.1 | 162.7 | 42.8 | 0 | 0 | 0 | 0 | 108.4 | N522 T526 | N522-T524 PolarHBondContact O-N 2.98Å; T524-T526 PolarHBondContact O-N 2.89Å | ||
| 525 | S | 33.4 | Very low | 31.3 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | trans | -71.5 | 102.5 | 164.2 | 54 | 0 | 0 | 0 | 0 | 108.7 | L527 | S525-L527 PolarHBondContact O-N 3.33Š| ||
| 526 | T | 34 | Very low | 31.4 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -75.6 | 105.9 | 165.2 | 42.5 | 0 | 0 | 0 | 0 | 108.8 | T524 S528 | T524-T526 PolarHBondContact O-N 2.89Å; T526-S528 PolarHBondContact O-N 3.12Å | ||
| 527 | L | 31.5 | Very low | 31.5 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -65 | 109 | 164.4 | -82.7 | 138.6 | 0 | 0 | 0 | 109 | S525 | S525-L527 PolarHBondContact O-N 3.33Š| ||
| 528 | S | 34.9 | Very low | 31.9 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -96.1 | 113.6 | 159.6 | 58.1 | 0 | 0 | 0 | 0 | 108.5 | T526 | T526-S528 PolarHBondContact O-N 3.12Š| ||
| 529 | N | 36.2 | Very low | 32 | Very low | 242 Ų | 242 | 144.6 Ų | 144.6 | 100% | 1.294 | 82% | 0.818 | S | S | * | * | trans | -106.2 | 0 | 149.1 | -102.3 | -8.8 | 0 | 0 | 0 | 107.5 |
Retrieved 529 of 529 residues in 702.1 ms
(Link to these results)