| 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 | 60.7 | Low | 90.9 | Very high | 217 Ų | 217 | 97.9 Ų | 97.9 | 100% | 1.069 | 52% | 0.523 | S | S | * | . | 0 | 141 | 0 | -62 | -150.2 | 90.3 | 0 | 0 | 109.4 | T6 | M1-T6 HydrophobicContact CB-CG2 3.98Å; M1-T6 HydrophobicContact CE-CG2 4.22Å; M1-T6 HydrophobicContact SD-CG2 3.93Å | |||
| 2 | T | 86.4 | Confident | 91.3 | Very high | 103 Ų | 103 | 101.8 Ų | 101.8 | 63% | 0.632 | 53% | 0.532 | S | S | * | . | trans | -95.9 | 155.1 | -176.7 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | R4 G5 T6 | T2-R4 PolarHBondContact O-N 2.92Å; T2-G5 PolarHBondContact O-N 3.24Å; T2-T6 PolarHBondContact O-OG1 3.29Å | ||
| 3 | S | 83.8 | Confident | 91.7 | Very high | 59 Ų | 59 | 98.2 Ų | 98.2 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.1 | 179.5 | 171 | 0 | 0 | 0 | 0 | 114.5 | R114 | S3-R114 WeakPolarHBondContact OG-CD 3.27Å; S3-R114 PolarHBondContact OG-NE 3.14Å; S3-R114 PolarHBondContact OG-NH2 2.89Å |
| 4 | R | 90.9 | Very high | 92.1 | Very high | 247 Ų | 247 | 92.9 Ų | 92.9 | 93% | 0.932 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -26.8 | -179.6 | -67.5 | -173.4 | -178.4 | -175.7 | 0.9 | 113.5 | T2 | T2-R4 PolarHBondContact O-N 2.92Š|
| 5 | G | 94.8 | Very high | 92.4 | Very high | 63 Ų | 63 | 98.1 Ų | 98.1 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -94.8 | 3.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | T2 | T2-G5 PolarHBondContact O-N 3.24Š|
| 6 | T | 96.1 | Very high | 92.6 | Very high | 43 Ų | 43 | 99.7 Ų | 99.7 | 26% | 0.264 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -128.7 | 147.4 | -177.6 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | M1 T2 | M1-T6 HydrophobicContact CB-CG2 3.98Å; M1-T6 HydrophobicContact CE-CG2 4.22Å; M1-T6 HydrophobicContact SD-CG2 3.93Å; T2-T6 PolarHBondContact O-OG1 3.29Å |
| 7 | P | 97 | Very high | 92.8 | Very high | 92 Ų | 92 | 96.1 Ų | 96.1 | 60% | 0.597 | 51% | 0.506 | S | S | * | . | trans | -63.5 | 160.5 | 176.4 | 27.8 | -34.8 | 0 | 0 | 0 | 111.1 | I113 | P7-I113 HydrophobicContact CB-CD1 4.26Å; P7-I113 HydrophobicContact CG-CD1 4.49Å; P7-I113 HydrophobicContact CG-CG2 4.18Å | ||
| 8 | S | 97 | Very high | 93 | Very high | 27 Ų | 27 | 93.9 Ų | 93.9 | 19% | 0.189 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 155.8 | 178 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | R114 R116 | S8-R114 VanDerWaalsContact CA-O 3.27Å; S8-R114 WeakPolarHBondContact CA-O 3.43Å; S8-R114 VanDerWaalsContact CB-O 3.24Å; S8-R114 WeakPolarHBondContact CB-O 3.24Å; S8-R114 PolarHBondContact OG-NH2 3.18Å; S8-R116 PolarHBondContact OG-NE 3.23Å; S8-R116 PolarHBondContact OG-NH2 3.35Å; S8-R116 VanDerWaalsContact OG-NH2 3.08Å |
| 9 | R | 97.3 | Very high | 93.2 | Very high | 54 Ų | 54 | 95.3 Ų | 95.3 | 20% | 0.204 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 166.2 | 177.8 | 65.7 | -176.3 | -177.6 | 82.4 | -7.7 | 111.7 | D111 I113 R114 I115 R116 | R9-D111 PolarHBondContact NE-O 3.45Å; R9-D111 PolarHBondContact NH2-O 3.05Å; R9-I113 HydrophobicContact CB-CD1 4.06Å; R9-I113 HydrophobicContact CB-CG1 4.46Å; R9-I113 HydrophobicContact CG-CD1 4.01Å; R9-I113 HydrophobicContact CG-CG1 3.87Å; R9-R114 PolarHBondContact N-O 2.82Å; R9-I115 WeakPolarHBondContact O-CA 3.38Å; R9-R116 PolarHBondContact O-N 3.1Å |
| 10 | F | 97.9 | Very high | 93.4 | Very high | 109 Ų | 109 | 94.5 Ų | 94.5 | 48% | 0.478 | 54% | 0.536 | S | S | . | . | trans | -85.3 | 157 | 165.7 | -68.9 | -80.2 | 0 | 0 | 0 | 110.3 | K12 R116 K117 | F10-K12 PolarHBondContact O-N 3.37Å; F10-R116 HydrophobicContact CD1-CB 3.9Å; F10-R116 HydrophobicContact CE1-CB 3.78Å; F10-R116 HydrophobicContact CE1-CG 4.5Å; F10-R116 HydrophobicContact CZ-CB 4.37Å; F10-K117 HydrophobicContact CD1-CB 4.4Å; F10-K117 HydrophobicContact CD1-CD 4.28Å; F10-K117 HydrophobicContact CD1-CG 4.17Å; F10-K117 HydrophobicContact CE1-CD 4Å; F10-K117 HydrophobicContact CE1-CG 4.01Å | ||
| 11 | L | 97.9 | Very high | 93.6 | Very high | 63 Ų | 63 | 99.9 Ų | 99.9 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | trans | -66.6 | 130.3 | 172.8 | -176.1 | 65.8 | 0 | 0 | 0 | 109 | I115 H120 | L11-I115 HydrophobicContact CB-CG2 4.08Å; L11-I115 HydrophobicContact CD1-CD1 4.33Å; L11-H120 HydrophobicContact CB-CB 4.4Å; L11-H120 WeakPolarHBondContact O-CB 3.13Å | ||
| 12 | K | 96.2 | Very high | 95.3 | Very high | 144 Ų | 144 | 96.6 Ų | 96.6 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | trans | -154 | 152.8 | 176.9 | -165.3 | 170.7 | -178.1 | 174.2 | 0 | 109.1 | F10 Q110 | F10-K12 PolarHBondContact O-N 3.37Å; K12-Q110 PolarHBondContact O-NE2 3.11Å; K12-Q110 PolarHBondContact O-OE1 3.41Å | ||
| 13 | S | 96.6 | Very high | 95.8 | Very high | 56 Ų | 56 | 94.8 Ų | 94.8 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | trans | -94.8 | 155.2 | 170.9 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | N17 | S13-N17 WeakPolarHBondContact OG-CB 3.36Å; S13-N17 PolarHBondContact OG-N 3.37Å; S13-N17 VanDerWaalsContact OG-N 3.14Å; S13-N17 PolarHBondContact OG-O 3.39Å | ||
| 14 | V | 96.7 | Very high | 96.5 | Very high | 23 Ų | 23 | 93.8 Ų | 93.8 | 14% | 0.139 | 51% | 0.505 | C | S | . | . | G | 310 helix | trans | -79 | 122.5 | 171 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | Q16 N17 N81 Q110 | V14-Q16 PolarHBondContact O-N 3.23Å; V14-N17 WeakPolarHBondContact O-CB 3.49Å; V14-N17 PolarHBondContact O-N 2.96Å; V14-N81 HydrophobicContact CG1-CB 4.43Å; V14-Q110 HydrophobicContact CG2-CG 4.23Å |
| 15 | L | 96.1 | Very high | 96.8 | Very high | 171 Ų | 171 | 82.6 Ų | 82.6 | 90% | 0.895 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | 47.3 | 38 | 179.2 | -61.7 | 177.8 | 0 | 0 | 0 | 114.4 | N17 | L15-N17 PolarHBondContact O-N 2.92Š|
| 16 | Q | 95.9 | Very high | 97 | Very high | 124 Ų | 124 | 79.8 Ų | 79.8 | 58% | 0.579 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | 53.7 | 36.2 | -178.7 | -62.2 | 176.1 | -21.8 | 0 | 0 | 113.6 | V14 G18 V19 | V14-Q16 PolarHBondContact O-N 3.23Å; Q16-G18 PolarHBondContact O-N 3.06Å; Q16-V19 HydrophobicContact CB-CB 4.47Å; Q16-V19 HydrophobicContact CB-CG2 4.06Å; Q16-V19 PolarHBondContact O-N 3.47Å; Q16-V19 VanDerWaalsContact O-N 3.09Å |
| 17 | N | 96.9 | Very high | 97.1 | Very high | 39 Ų | 39 | 82.5 Ų | 82.5 | 21% | 0.209 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 128.6 | 177.2 | -166.5 | 21 | 0 | 0 | 0 | 110.9 | S13 V14 L15 R21 Y22 V23 Q25 | S13-N17 WeakPolarHBondContact OG-CB 3.36Å; S13-N17 PolarHBondContact OG-N 3.37Å; S13-N17 VanDerWaalsContact OG-N 3.14Å; S13-N17 PolarHBondContact OG-O 3.39Å; V14-N17 WeakPolarHBondContact O-CB 3.49Å; V14-N17 PolarHBondContact O-N 2.96Å; L15-N17 PolarHBondContact O-N 2.92Å; N17-R21 PolarHBondContact OD1-O 3.48Å; N17-Y22 VanDerWaalsContact OD1-CA 3.32Å; N17-Y22 WeakPolarHBondContact OD1-CA 3.28Å; N17-V23 PolarHBondContact ND2-O 3.3Å; N17-V23 PolarHBondContact OD1-N 2.91Å; N17-Q25 PolarHBondContact ND2-NE2 2.84Å |
| 18 | G | 96.1 | Very high | 97.2 | Very high | 56 Ų | 56 | 81.5 Ų | 81.5 | 58% | 0.577 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.8 | -13.3 | -177 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q16 R21 | Q16-G18 PolarHBondContact O-N 3.06Å; G18-R21 PolarHBondContact N-O 2.99Å |
| 19 | V | 96.4 | Very high | 97.2 | Very high | 121 Ų | 121 | 80.3 Ų | 80.3 | 73% | 0.733 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -48.5 | 174.9 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | Q16 | Q16-V19 HydrophobicContact CB-CB 4.47Å; Q16-V19 HydrophobicContact CB-CG2 4.06Å; Q16-V19 PolarHBondContact O-N 3.47Å; Q16-V19 VanDerWaalsContact O-N 3.09Å |
| 20 | G | 97.4 | Very high | 97.3 | Very high | 78 Ų | 78 | 79 Ų | 79 | 80% | 0.804 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -98 | -64.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 21 | R | 97.3 | Very high | 97.3 | Very high | 208 Ų | 208 | 73.8 Ų | 73.8 | 79% | 0.785 | 39% | 0.394 | S | S | * | . | trans | -138.4 | 159.5 | 172.9 | 61.1 | 177.8 | 143.6 | -165.3 | -7.2 | 110.6 | N17 G18 V23 | N17-R21 PolarHBondContact OD1-O 3.48Å; G18-R21 PolarHBondContact N-O 2.99Å; R21-V23 HydrophobicContact CG-CG2 4.31Å | ||
| 22 | Y | 97.3 | Very high | 97.3 | Very high | 149 Ų | 149 | 72 Ų | 72 | 58% | 0.584 | 38% | 0.384 | S | S | * | . | trans | -81.2 | 134.5 | 168.3 | 174.3 | -99.4 | 0 | 0 | 0 | 110.7 | N17 C24 | N17-Y22 VanDerWaalsContact OD1-CA 3.32Å; N17-Y22 WeakPolarHBondContact OD1-CA 3.28Å; Y22-C24 HydrophobicContact CE1-CB 4.21Å | ||
| 23 | V | 97.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 66 Ų | 66 | 39% | 0.394 | 36% | 0.358 | S | S | . | . | trans | -126.2 | 125.1 | 169.3 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | N17 R21 Q25 L80 | N17-V23 PolarHBondContact ND2-O 3.3Å; N17-V23 PolarHBondContact OD1-N 2.91Å; R21-V23 HydrophobicContact CG-CG2 4.31Å; V23-Q25 PolarHBondContact O-N 3.48Å; V23-Q25 PolarHBondContact O-NE2 3.42Å; V23-L80 HydrophobicContact CG1-CD1 4.01Å | ||
| 24 | C | 97.4 | Very high | 97.3 | Very high | 37 Ų | 37 | 64 Ų | 64 | 25% | 0.25 | 34% | 0.344 | C | S | . | . | trans | -61.4 | 131 | 172.4 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | Y22 L80 | Y22-C24 HydrophobicContact CE1-CB 4.21Å; C24-L80 WeakPolarHBondContact O-CD1 3.4Å | ||
| 25 | Q | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 70 Ų | 70 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | trans | -87.4 | -20.6 | -174.8 | -61.9 | -58.1 | -58.9 | 0 | 0 | 112.8 | N17 V23 K27 Y79 L80 | N17-Q25 PolarHBondContact ND2-NE2 2.84Å; V23-Q25 PolarHBondContact O-N 3.48Å; V23-Q25 PolarHBondContact O-NE2 3.42Å; Q25-K27 PolarHBondContact O-N 3.24Å; Q25-Y79 HydrophobicContact CB-CD1 4.24Å; Q25-Y79 CarbonylContact O-C 3.54Å; Q25-Y79 VanDerWaalsContact O-CA 3.23Å; Q25-Y79 WeakPolarHBondContact O-CA 3.39Å; Q25-L80 PolarHBondContact O-N 3.32Å | ||
| 26 | L | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 121.5 | 175.4 | -177.6 | 64.4 | 0 | 0 | 0 | 109 | V29 T61 A77 Y79 T105 | L26-V29 HydrophobicContact CD1-CG2 4.02Å; L26-V29 HydrophobicContact CD2-CG2 3.63Å; L26-V29 HydrophobicContact CG-CG2 4.11Å; L26-T61 HydrophobicContact CD2-CG2 3.89Å; L26-T61 HydrophobicContact CG-CG2 3.92Å; L26-T61 PolarHBondContact O-OG1 3.25Å; L26-A77 HydrophobicContact CD1-CB 3.68Å; L26-Y79 HydrophobicContact CB-CD1 4.42Å; L26-Y79 HydrophobicContact CB-CE1 4.33Å; L26-Y79 HydrophobicContact CD1-CD1 4.41Å; L26-Y79 HydrophobicContact CD1-CE1 4.13Å; L26-T105 HydrophobicContact CD2-CG2 4.33Å; L26-T105 WeakPolarHBondContact CD2-OG1 3.45Å |
| 27 | K | 97.6 | Very high | 97.1 | Very high | 100 Ų | 100 | 66.1 Ų | 66.1 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -43.5 | -178.5 | 174.6 | -175.1 | 169.7 | -175.1 | 0 | 111.5 | Q25 V62 E78 L80 | Q25-K27 PolarHBondContact O-N 3.24Å; K27-V62 PolarHBondContact O-N 2.87Å; K27-E78 WeakPolarHBondContact CB-O 3.21Å; K27-E78 PolarHBondContact N-O 3.45Å; K27-L80 HydrophobicContact CB-CD2 4.03Å; K27-L80 HydrophobicContact CD-CD2 4.33Å; K27-L80 HydrophobicContact CG-CD2 4.35Å |
| 28 | R | 98.5 | Very high | 96.9 | Very high | 72 Ų | 72 | 69.5 Ų | 69.5 | 27% | 0.272 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 143 | -171.9 | -175.7 | -172 | -64.9 | 163.1 | -11.3 | 110.9 | V62 Y64 A77 E78 | R28-V62 CarbonylContact C-O 3.48Å; R28-V62 VanDerWaalsContact CA-O 3.29Å; R28-V62 WeakPolarHBondContact CA-O 3.4Å; R28-V62 HydrophobicContact CG-CB 4.49Å; R28-Y64 HydrophobicContact CG-CD2 3.67Å; R28-Y64 HydrophobicContact CG-CE2 3.74Å; R28-A77 WeakPolarHBondContact O-CA 3.48Å; R28-E78 HydrophobicContact CB-CB 4.21Å; R28-E78 IonicContact CZ-OE2 3.5Å; R28-E78 PolarHBondContact N-O 3.01Å; R28-E78 IonicContact NE-OE2 3.72Å; R28-E78 IonicContact NH1-OE1 3.14Å; R28-E78 PolarHBondContact NH1-OE1 2.97Å; R28-E78 VanDerWaalsContact NH1-OE1 3.14Å; R28-E78 IonicContact NH1-OE2 2.93Å; R28-E78 PolarHBondContact NH1-OE2 2.98Å; R28-E78 PolarHBondContact O-N 2.91Å |
| 29 | V | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129.8 | 169.6 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | L26 I31 T61 V62 V63 Y64 V75 V76 L101 | L26-V29 HydrophobicContact CD1-CG2 4.02Å; L26-V29 HydrophobicContact CD2-CG2 3.63Å; L26-V29 HydrophobicContact CG-CG2 4.11Å; V29-I31 HydrophobicContact CG1-CG1 4.07Å; V29-T61 HydrophobicContact CG2-CG2 3.9Å; V29-V62 PolarHBondContact N-O 3.39Å; V29-V63 WeakPolarHBondContact O-CA 3.31Å; V29-Y64 PolarHBondContact O-N 3.06Å; V29-V75 HydrophobicContact CG1-CG2 3.26Å; V29-V76 CarbonylContact C-O 3.56Å; V29-V76 WeakPolarHBondContact CA-O 3.4Å; V29-L101 HydrophobicContact CG1-CD2 3.66Å |
| 30 | S | 98.4 | Very high | 96.9 | Very high | 26 Ų | 26 | 61.7 Ų | 61.7 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 109.8 | 175.3 | -61.5 | 0 | 0 | 0 | 0 | 109.7 | V75 V76 | S30-V75 WeakPolarHBondContact O-CA 3.28Å; S30-V76 PolarHBondContact N-O 2.9Å; S30-V76 PolarHBondContact O-N 3.29Å |
| 31 | I | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.4 | 178.7 | -56.4 | 173.5 | 0 | 0 | 0 | 108.5 | V29 V43 F46 I47 V63 Y64 S66 V75 L101 | V29-I31 HydrophobicContact CG1-CG1 4.07Å; I31-V43 HydrophobicContact CG2-CG1 3.73Å; I31-F46 HydrophobicContact CD1-CE1 4.32Å; I31-I47 HydrophobicContact CG2-CD1 4.29Å; I31-V63 HydrophobicContact CD1-CG1 4.43Å; I31-Y64 PolarHBondContact N-O 2.88Å; I31-S66 PolarHBondContact O-N 2.83Å; I31-V75 HydrophobicContact CG1-CG2 4.25Å; I31-L101 HydrophobicContact CD1-CD1 4.39Å |
| 32 | M | 97.8 | Very high | 96.9 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.8 | 176.6 | -68.1 | 166.8 | -86.3 | 0 | 0 | 109.2 | S66 P73 K74 V76 | M32-S66 WeakPolarHBondContact CA-O 3.37Å; M32-P73 CarbonylContact O-C 3.52Å; M32-P73 VanDerWaalsContact O-CA 3.25Å; M32-P73 WeakPolarHBondContact O-CA 3.48Å; M32-K74 HydrophobicContact CB-CG 4.12Å; M32-K74 HydrophobicContact CE-CD 3.95Å; M32-K74 HydrophobicContact CE-CG 3.85Å; M32-K74 PolarHBondContact N-O 3.47Å; M32-K74 PolarHBondContact O-N 2.95Å; M32-K74 HydrophobicContact SD-CG 4.45Å; M32-V76 HydrophobicContact CE-CB 4.11Å; M32-V76 HydrophobicContact CE-CG2 3.31Å |
| 33 | F | 97.1 | Very high | 96.9 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 8% | 0.083 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 160.1 | -174.7 | 76.1 | -73.5 | 0 | 0 | 0 | 111.8 | A40 V43 R44 I47 V65 S66 P67 Q68 C70 P73 | F33-A40 HydrophobicContact CB-CB 4.35Å; F33-V43 HydrophobicContact CB-CB 4.46Å; F33-V43 HydrophobicContact CB-CG1 3.81Å; F33-V43 HydrophobicContact CG-CG1 4.26Å; F33-R44 HydrophobicContact CD2-CG 3.75Å; F33-R44 HydrophobicContact CE2-CG 3.73Å; F33-I47 HydrophobicContact CD1-CD1 3.52Å; F33-I47 HydrophobicContact CD2-CD1 4.16Å; F33-I47 HydrophobicContact CE1-CD1 3.42Å; F33-I47 VanDerWaalsContact CE1-CD1 3.42Å; F33-I47 HydrophobicContact CE2-CD1 4.07Å; F33-I47 HydrophobicContact CG-CD1 3.91Å; F33-I47 HydrophobicContact CZ-CD1 3.69Å; F33-V65 HydrophobicContact CD1-CG1 4.31Å; F33-V65 HydrophobicContact CE1-CG1 3.54Å; F33-V65 HydrophobicContact CZ-CG1 4.32Å; F33-S66 PolarHBondContact N-O 2.91Å; F33-P67 HydrophobicContact CE1-CB 4.12Å; F33-P67 HydrophobicContact CZ-CB 4.07Å; F33-P67 CarbonylContact O-C 3.57Å; F33-P67 WeakPolarHBondContact O-CA 3.45Å; F33-Q68 PolarHBondContact O-N 3.38Å; F33-C70 VanDerWaalsContact C-SG 3.59Å; F33-P73 HydrophobicContact CB-CB 4.13Å |
| 34 | S | 96.2 | Very high | 96.9 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | trans | -97.4 | 140.9 | 172.6 | 166 | 0 | 0 | 0 | 0 | 112 | K36 S37 R44 Q68 C70 | S34-K36 VanDerWaalsContact C-N 3.27Å; S34-K36 PolarHBondContact O-N 3.04Å; S34-K36 PolarHBondContact OG-N 2.78Å; S34-S37 PolarHBondContact OG-N 3.04Å; S34-R44 PolarHBondContact O-NH1 2.92Å; S34-Q68 VanDerWaalsContact CA-O 3.31Å; S34-Q68 WeakPolarHBondContact CA-O 3.49Å; S34-C70 WeakPolarHBondContact CB-O 3.39Å | ||
| 35 | K | 95.4 | Very high | 96.9 | Very high | 147 Ų | 147 | 45.9 Ų | 45.9 | 64% | 0.639 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -67.4 | -26.7 | 176.6 | -62.6 | -175 | 180 | -175.4 | 0 | 113 | R44 P67 | K35-R44 PolarHBondContact O-NH1 3.17Å; K35-P67 HydrophobicContact CD-CB 4.32Å; K35-P67 VanDerWaalsContact CE-CB 3.45Å; K35-P67 HydrophobicContact CG-CB 4Å |
| 36 | K | 94.1 | Very high | 96.9 | Very high | 193 Ų | 193 | 45.3 Ų | 45.3 | 84% | 0.839 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -114.9 | -24.3 | -170 | -63.5 | -177.5 | 178.8 | -177.5 | 0 | 114 | S34 | S34-K36 VanDerWaalsContact C-N 3.27Å; S34-K36 PolarHBondContact O-N 3.04Å; S34-K36 PolarHBondContact OG-N 2.78Å |
| 37 | S | 93.9 | Very high | 96.9 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | trans | -66 | 133.6 | -174 | -171.1 | 0 | 0 | 0 | 0 | 111.5 | S34 S39 A40 R44 | S34-S37 PolarHBondContact OG-N 3.04Å; S37-S39 PolarHBondContact O-N 3.09Å; S37-S39 PolarHBondContact OG-OG 3.02Å; S37-A40 PolarHBondContact O-N 3.02Å; S37-R44 PolarHBondContact O-NH1 2.93Å; S37-R44 PolarHBondContact O-NH2 2.78Å | ||
| 38 | P | 94.5 | Very high | 96.8 | Very high | 110 Ų | 110 | 49.3 Ų | 49.3 | 71% | 0.714 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -59.3 | -34.9 | 173.2 | -24.1 | 34.1 | 0 | 0 | 0 | 113 | A40 L41 | P38-A40 PolarHBondContact O-N 2.86Å; P38-A40 VanDerWaalsContact O-N 3.08Å; P38-L41 VanDerWaalsContact O-CB 3.26Å; P38-L41 WeakPolarHBondContact O-CB 3.34Å; P38-L41 PolarHBondContact O-N 2.81Å |
| 39 | S | 95.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -62.1 | -19.3 | -179.9 | 60.2 | 0 | 0 | 0 | 0 | 114.6 | S37 S71 N91 | S37-S39 PolarHBondContact O-N 3.09Å; S37-S39 PolarHBondContact OG-OG 3.02Å; S39-S71 PolarHBondContact OG-O 2.92Å; S39-N91 VanDerWaalsContact CA-OD1 3.31Å; S39-N91 WeakPolarHBondContact CA-OD1 3.36Å; S39-N91 PolarHBondContact O-N 3.38Å |
| 40 | A | 96.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -102.6 | 11.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F33 S37 P38 V43 R44 P73 | F33-A40 HydrophobicContact CB-CB 4.35Å; S37-A40 PolarHBondContact O-N 3.02Å; P38-A40 PolarHBondContact O-N 2.86Å; P38-A40 VanDerWaalsContact O-N 3.08Å; A40-V43 PolarHBondContact O-N 2.84Å; A40-R44 PolarHBondContact O-N 3.4Å; A40-P73 HydrophobicContact CB-CB 4.01Å; A40-P73 HydrophobicContact CB-CG 3.94Å |
| 41 | L | 96.6 | Very high | 96.6 | Very high | 93 Ų | 93 | 53.7 Ų | 53.7 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.7 | -59.9 | -178.8 | 179.9 | 63 | 0 | 0 | 0 | 112 | P38 V43 R44 D45 | P38-L41 VanDerWaalsContact O-CB 3.26Å; P38-L41 WeakPolarHBondContact O-CB 3.34Å; P38-L41 PolarHBondContact O-N 2.81Å; L41-V43 PolarHBondContact O-N 3.34Å; L41-V43 VanDerWaalsContact O-N 3.1Å; L41-R44 WeakPolarHBondContact O-CA 3.48Å; L41-R44 WeakPolarHBondContact O-CB 3.41Å; L41-R44 PolarHBondContact O-N 2.87Å; L41-D45 VanDerWaalsContact O-CG 3.32Å; L41-D45 PolarHBondContact O-N 2.87Å |
| 42 | G | 97.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66 | -18.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F46 K92 S94 | G42-F46 WeakPolarHBondContact O-CB 3.26Å; G42-F46 PolarHBondContact O-N 3.18Å; G42-K92 VanDerWaalsContact CA-O 3.3Å; G42-K92 WeakPolarHBondContact CA-O 3.39Å; G42-S94 WeakPolarHBondContact O-CA 3.3Å |
| 43 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.2 | -38.5 | 170.9 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | I31 F33 A40 L41 F46 I47 P73 L89 V97 | I31-V43 HydrophobicContact CG2-CG1 3.73Å; F33-V43 HydrophobicContact CB-CB 4.46Å; F33-V43 HydrophobicContact CB-CG1 3.81Å; F33-V43 HydrophobicContact CG-CG1 4.26Å; A40-V43 PolarHBondContact O-N 2.84Å; L41-V43 PolarHBondContact O-N 3.34Å; L41-V43 VanDerWaalsContact O-N 3.1Å; V43-F46 PolarHBondContact O-N 2.95Å; V43-I47 HydrophobicContact CG1-CD1 3.95Å; V43-I47 WeakPolarHBondContact O-CD1 3.5Å; V43-I47 WeakPolarHBondContact O-CG1 3.31Å; V43-I47 PolarHBondContact O-N 3.47Å; V43-P73 HydrophobicContact CG2-CB 4.08Å; V43-P73 HydrophobicContact CG2-CG 4.18Å; V43-L89 HydrophobicContact CG1-CD1 4.48Å; V43-L89 HydrophobicContact CG2-CB 3.68Å; V43-L89 HydrophobicContact CG2-CD1 4.06Å; V43-V97 HydrophobicContact CG2-CG2 3.95Å |
| 44 | R | 97.7 | Very high | 96.6 | Very high | 42 Ų | 42 | 60.6 Ų | 60.6 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 173.6 | -70.5 | -172.4 | -64.9 | -92.7 | 1.4 | 110.9 | F33 S34 K35 S37 A40 L41 F46 I47 E48 | F33-R44 HydrophobicContact CD2-CG 3.75Å; F33-R44 HydrophobicContact CE2-CG 3.73Å; S34-R44 PolarHBondContact O-NH1 2.92Å; K35-R44 PolarHBondContact O-NH1 3.17Å; S37-R44 PolarHBondContact O-NH1 2.93Å; S37-R44 PolarHBondContact O-NH2 2.78Å; A40-R44 PolarHBondContact O-N 3.4Å; L41-R44 WeakPolarHBondContact O-CA 3.48Å; L41-R44 WeakPolarHBondContact O-CB 3.41Å; L41-R44 PolarHBondContact O-N 2.87Å; R44-F46 VanDerWaalsContact C-N 3.25Å; R44-F46 PolarHBondContact O-N 3.23Å; R44-I47 WeakPolarHBondContact O-CA 3.46Å; R44-I47 WeakPolarHBondContact O-CB 3.29Å; R44-I47 PolarHBondContact O-N 3.1Å; R44-E48 WeakPolarHBondContact O-CG 3.31Å; R44-E48 PolarHBondContact O-N 3.27Å |
| 45 | D | 97.9 | Very high | 96.7 | Very high | 62 Ų | 62 | 61.7 Ų | 61.7 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.4 | -42.1 | 177.5 | -52.9 | -14.2 | 0 | 0 | 0 | 110.7 | L41 E48 E49 | L41-D45 VanDerWaalsContact O-CG 3.32Å; L41-D45 PolarHBondContact O-N 2.87Å; D45-E48 PolarHBondContact O-N 3.03Å; D45-E49 PolarHBondContact O-N 3.08Å; D45-E49 VanDerWaalsContact O-N 3.1Å |
| 46 | F | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 174.3 | 178.3 | -98.8 | 0 | 0 | 0 | 113.2 | I31 G42 V43 R44 E48 G50 V51 F54 S94 V97 L98 L101 | I31-F46 HydrophobicContact CD1-CE1 4.32Å; G42-F46 WeakPolarHBondContact O-CB 3.26Å; G42-F46 PolarHBondContact O-N 3.18Å; V43-F46 PolarHBondContact O-N 2.95Å; R44-F46 VanDerWaalsContact C-N 3.25Å; R44-F46 PolarHBondContact O-N 3.23Å; F46-E48 VanDerWaalsContact C-N 3.33Å; F46-G50 CarbonylContact O-C 3.57Å; F46-G50 VanDerWaalsContact O-CA 3.28Å; F46-G50 WeakPolarHBondContact O-CA 3.46Å; F46-G50 PolarHBondContact O-N 3.24Å; F46-V51 HydrophobicContact CD1-CB 4.42Å; F46-V51 HydrophobicContact CE1-CB 3.96Å; F46-V51 HydrophobicContact CE1-CG2 4.16Å; F46-V51 HydrophobicContact CZ-CB 4.49Å; F46-V51 PolarHBondContact O-N 2.94Å; F46-F54 HydrophobicContact CZ-CB 4.09Å; F46-F54 HydrophobicContact CZ-CG 4.48Å; F46-S94 WeakPolarHBondContact CA-OG 3.3Å; F46-V97 HydrophobicContact CB-CB 4.29Å; F46-V97 HydrophobicContact CB-CG1 4.13Å; F46-V97 HydrophobicContact CD1-CG1 3.74Å; F46-V97 HydrophobicContact CD2-CG1 4.36Å; F46-V97 HydrophobicContact CE1-CG1 4.3Å; F46-V97 HydrophobicContact CG-CB 4.24Å; F46-V97 HydrophobicContact CG-CG1 3.78Å; F46-L98 HydrophobicContact CD2-CB 4.28Å; F46-L98 HydrophobicContact CE2-CB 3.88Å; F46-L98 HydrophobicContact CE2-CD1 4.04Å; F46-L98 HydrophobicContact CE2-CG 4.47Å; F46-L98 HydrophobicContact CZ-CD1 4.47Å; F46-L101 HydrophobicContact CD1-CD1 4.2Å; F46-L101 HydrophobicContact CE1-CD1 3.28Å; F46-L101 HydrophobicContact CE2-CD1 4.32Å; F46-L101 HydrophobicContact CZ-CD1 3.36Å |
| 47 | I | 97.6 | Very high | 97 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.7 | -35.9 | 177.6 | -72.2 | 162.8 | 0 | 0 | 0 | 111.2 | I31 F33 V43 R44 V51 V65 | I31-I47 HydrophobicContact CG2-CD1 4.29Å; F33-I47 HydrophobicContact CD1-CD1 3.52Å; F33-I47 HydrophobicContact CD2-CD1 4.16Å; F33-I47 HydrophobicContact CE1-CD1 3.42Å; F33-I47 VanDerWaalsContact CE1-CD1 3.42Å; F33-I47 HydrophobicContact CE2-CD1 4.07Å; F33-I47 HydrophobicContact CG-CD1 3.91Å; F33-I47 HydrophobicContact CZ-CD1 3.69Å; V43-I47 HydrophobicContact CG1-CD1 3.95Å; V43-I47 WeakPolarHBondContact O-CD1 3.5Å; V43-I47 WeakPolarHBondContact O-CG1 3.31Å; V43-I47 PolarHBondContact O-N 3.47Å; R44-I47 WeakPolarHBondContact O-CA 3.46Å; R44-I47 WeakPolarHBondContact O-CB 3.29Å; R44-I47 PolarHBondContact O-N 3.1Å; I47-V51 WeakPolarHBondContact O-CG1 3.46Å; I47-V65 HydrophobicContact CD1-CG1 3.7Å; I47-V65 HydrophobicContact CG1-CG1 4.14Å; I47-V65 HydrophobicContact CG2-CG1 4.07Å |
| 48 | E | 96.9 | Very high | 97.1 | Very high | 154 Ų | 154 | 61 Ų | 61 | 72% | 0.72 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -72.5 | -43.8 | -179.4 | -71.5 | 176.5 | -172.4 | 0 | 0 | 111.9 | R44 D45 F46 | R44-E48 WeakPolarHBondContact O-CG 3.31Å; R44-E48 PolarHBondContact O-N 3.27Å; D45-E48 PolarHBondContact O-N 3.03Å; F46-E48 VanDerWaalsContact C-N 3.33Å |
| 49 | E | 96.4 | Very high | 97.3 | Very high | 157 Ų | 157 | 61.4 Ų | 61.4 | 73% | 0.734 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -109.7 | -31 | -170.8 | -61.3 | -176.2 | 165.2 | 0 | 0 | 114.5 | D45 | D45-E49 PolarHBondContact O-N 3.08Å; D45-E49 VanDerWaalsContact O-N 3.1Å |
| 50 | G | 96.4 | Very high | 97.3 | Very high | 17 Ų | 17 | 63.8 Ų | 63.8 | 18% | 0.175 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -29.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | F46 V52 D53 F54 | F46-G50 CarbonylContact O-C 3.57Å; F46-G50 VanDerWaalsContact O-CA 3.28Å; F46-G50 WeakPolarHBondContact O-CA 3.46Å; F46-G50 PolarHBondContact O-N 3.24Å; G50-V52 VanDerWaalsContact C-N 3.32Å; G50-V52 PolarHBondContact O-N 3.34Å; G50-D53 PolarHBondContact O-N 3.45Å; G50-F54 PolarHBondContact O-N 3.49Å |
| 51 | V | 97.4 | Very high | 97.4 | Very high | 17 Ų | 17 | 64.3 Ų | 64.3 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.7 | -35.4 | -168.6 | 72.9 | 0 | 0 | 0 | 0 | 113.3 | F46 I47 F54 A55 V63 V65 | F46-V51 HydrophobicContact CD1-CB 4.42Å; F46-V51 HydrophobicContact CE1-CB 3.96Å; F46-V51 HydrophobicContact CE1-CG2 4.16Å; F46-V51 HydrophobicContact CZ-CB 4.49Å; F46-V51 PolarHBondContact O-N 2.94Å; I47-V51 WeakPolarHBondContact O-CG1 3.46Å; V51-F54 PolarHBondContact O-N 2.76Å; V51-A55 PolarHBondContact O-N 3.42Å; V51-V63 HydrophobicContact CG2-CG1 3.82Å; V51-V65 HydrophobicContact CG2-CG2 4.26Å |
| 52 | V | 97.7 | Very high | 97.5 | Very high | 86 Ų | 86 | 63.3 Ų | 63.3 | 52% | 0.521 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.7 | -43 | -179.4 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | G50 A55 K56 | G50-V52 VanDerWaalsContact C-N 3.32Å; G50-V52 PolarHBondContact O-N 3.34Å; V52-A55 PolarHBondContact O-N 2.75Å; V52-K56 HydrophobicContact CG1-CD 4.35Å; V52-K56 WeakPolarHBondContact O-CG 2.99Å; V52-K56 PolarHBondContact O-N 2.92Å |
| 53 | D | 97.9 | Very high | 97.6 | Very high | 98 Ų | 98 | 64.6 Ų | 64.6 | 52% | 0.524 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69 | -36.7 | 178.2 | -70.3 | -17.5 | 0 | 0 | 0 | 111.6 | G50 A55 K56 K57 | G50-D53 PolarHBondContact O-N 3.45Å; D53-A55 VanDerWaalsContact C-N 3.35Å; D53-A55 PolarHBondContact O-N 3.01Å; D53-K56 PolarHBondContact O-N 3.23Å; D53-K56 IonicContact OD1-NZ 3.68Å; D53-K57 WeakPolarHBondContact O-CB 3.43Å; D53-K57 PolarHBondContact O-N 2.94Å |
| 54 | F | 97.9 | Very high | 97.6 | Very high | 7 Ų | 7 | 70.3 Ų | 70.3 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 169.7 | 172.8 | -93.8 | 0 | 0 | 0 | 112 | F46 G50 V51 K57 N58 V63 L98 L101 | F46-F54 HydrophobicContact CZ-CB 4.09Å; F46-F54 HydrophobicContact CZ-CG 4.48Å; G50-F54 PolarHBondContact O-N 3.49Å; V51-F54 PolarHBondContact O-N 2.76Å; F54-K57 PolarHBondContact O-N 3.49Å; F54-N58 WeakPolarHBondContact CD2-ND2 3.46Å; F54-N58 VanDerWaalsContact CE2-ND2 3.31Å; F54-N58 WeakPolarHBondContact CE2-ND2 3.35Å; F54-N58 PolarHBondContact O-N 3.34Å; F54-N58 PolarHBondContact O-ND2 3.17Å; F54-V63 HydrophobicContact CD1-CG2 4Å; F54-V63 HydrophobicContact CE1-CG2 3.84Å; F54-L98 HydrophobicContact CD2-CD1 4.13Å; F54-L101 HydrophobicContact CD2-CB 4.29Å; F54-L101 HydrophobicContact CE2-CB 3.81Å; F54-L101 HydrophobicContact CZ-CB 4.14Å |
| 55 | A | 97.7 | Very high | 97.6 | Very high | 37 Ų | 37 | 71.2 Ų | 71.2 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | V51 V52 D53 K57 N58 V63 | V51-A55 PolarHBondContact O-N 3.42Å; V52-A55 PolarHBondContact O-N 2.75Å; D53-A55 VanDerWaalsContact C-N 3.35Å; D53-A55 PolarHBondContact O-N 3.01Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 3.09Å; A55-N58 CarbonylContact O-C 3.19Å; A55-N58 PolarHBondContact O-N 3.27Å; A55-V63 HydrophobicContact CB-CG2 4.31Å |
| 56 | K | 97.8 | Very high | 97.5 | Very high | 150 Ų | 150 | 70.5 Ų | 70.5 | 65% | 0.652 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62 | -40.3 | 174.4 | -74 | 172.9 | -177 | 166.2 | 0 | 112.2 | V52 D53 N58 | V52-K56 HydrophobicContact CG1-CD 4.35Å; V52-K56 WeakPolarHBondContact O-CG 2.99Å; V52-K56 PolarHBondContact O-N 2.92Å; D53-K56 PolarHBondContact O-N 3.23Å; D53-K56 IonicContact OD1-NZ 3.68Å; K56-N58 VanDerWaalsContact C-N 3.3Å |
| 57 | K | 97.7 | Very high | 97.4 | Very high | 166 Ų | 166 | 73.4 Ų | 73.4 | 72% | 0.722 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -69.2 | -29.3 | 177.2 | -173 | 175.4 | 178.9 | -177.6 | 0 | 112.4 | D53 F54 A55 P59 | D53-K57 WeakPolarHBondContact O-CB 3.43Å; D53-K57 PolarHBondContact O-N 2.94Å; F54-K57 PolarHBondContact O-N 3.49Å; A55-K57 VanDerWaalsContact C-N 3.33Å; A55-K57 PolarHBondContact O-N 3.09Å; K57-P59 VanDerWaalsContact C-CD 3.41Å; K57-P59 VanDerWaalsContact O-CD 3.28Å; K57-P59 WeakPolarHBondContact O-CD 3.46Å |
| 58 | N | 97.3 | Very high | 97.2 | Very high | 31 Ų | 31 | 75.9 Ų | 75.9 | 17% | 0.166 | 42% | 0.417 | C | S | . | . | trans | -120.5 | 67.1 | -176.8 | -57.8 | -71.3 | 0 | 0 | 0 | 111.6 | F54 A55 K56 G60 T61 T105 | F54-N58 WeakPolarHBondContact CD2-ND2 3.46Å; F54-N58 VanDerWaalsContact CE2-ND2 3.31Å; F54-N58 WeakPolarHBondContact CE2-ND2 3.35Å; F54-N58 PolarHBondContact O-N 3.34Å; F54-N58 PolarHBondContact O-ND2 3.17Å; A55-N58 CarbonylContact O-C 3.19Å; A55-N58 PolarHBondContact O-N 3.27Å; K56-N58 VanDerWaalsContact C-N 3.3Å; N58-G60 PolarHBondContact O-N 2.93Å; N58-G60 VanDerWaalsContact O-N 3.09Å; N58-T61 PolarHBondContact O-N 3.14Å; N58-T105 WeakPolarHBondContact OD1-CG2 3.42Å | ||
| 59 | P | 97.4 | Very high | 96.9 | Very high | 118 Ų | 118 | 77.5 Ų | 77.5 | 77% | 0.766 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.9 | -172.8 | 27.1 | -36 | 0 | 0 | 0 | 114.1 | K57 T61 | K57-P59 VanDerWaalsContact C-CD 3.41Å; K57-P59 VanDerWaalsContact O-CD 3.28Å; K57-P59 WeakPolarHBondContact O-CD 3.46Å; P59-T61 VanDerWaalsContact C-N 3.33Å |
| 60 | G | 96.4 | Very high | 96.4 | Very high | 64 Ų | 64 | 71.3 Ų | 71.3 | 66% | 0.66 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N58 | N58-G60 PolarHBondContact O-N 2.93Å; N58-G60 VanDerWaalsContact O-N 3.09Å |
| 61 | T | 97.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 74.7 Ų | 74.7 | 6% | 0.061 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -105.6 | 124.3 | -175.4 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | L26 V29 N58 P59 | L26-T61 HydrophobicContact CD2-CG2 3.89Å; L26-T61 HydrophobicContact CG-CG2 3.92Å; L26-T61 PolarHBondContact O-OG1 3.25Å; V29-T61 HydrophobicContact CG2-CG2 3.9Å; N58-T61 PolarHBondContact O-N 3.14Å; P59-T61 VanDerWaalsContact C-N 3.33Å |
| 62 | V | 98.3 | Very high | 95.8 | Very high | 72 Ų | 72 | 78.2 Ų | 78.2 | 44% | 0.436 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 128 | 174 | -176 | 0 | 0 | 0 | 0 | 110 | K27 R28 V29 Y64 | K27-V62 PolarHBondContact O-N 2.87Å; R28-V62 CarbonylContact C-O 3.48Å; R28-V62 VanDerWaalsContact CA-O 3.29Å; R28-V62 WeakPolarHBondContact CA-O 3.4Å; R28-V62 HydrophobicContact CG-CB 4.49Å; V29-V62 PolarHBondContact N-O 3.39Å; V62-Y64 HydrophobicContact CB-CE2 4.32Å; V62-Y64 HydrophobicContact CG1-CD2 4.05Å; V62-Y64 HydrophobicContact CG1-CE2 3.42Å; V62-Y64 VanDerWaalsContact CG1-CE2 3.42Å |
| 63 | V | 98.3 | Very high | 95.7 | Very high | 35 Ų | 35 | 74.1 Ų | 74.1 | 21% | 0.212 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 119.9 | 179.8 | -174 | 0 | 0 | 0 | 0 | 110.3 | V29 I31 V51 F54 A55 V65 | V29-V63 WeakPolarHBondContact O-CA 3.31Å; I31-V63 HydrophobicContact CD1-CG1 4.43Å; V51-V63 HydrophobicContact CG2-CG1 3.82Å; F54-V63 HydrophobicContact CD1-CG2 4Å; F54-V63 HydrophobicContact CE1-CG2 3.84Å; A55-V63 HydrophobicContact CB-CG2 4.31Å; V63-V65 HydrophobicContact CG1-CG2 4.4Å |
| 64 | Y | 98.3 | Very high | 95.7 | Very high | 120 Ų | 120 | 72.1 Ų | 72.1 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.9 | 171 | -67.8 | -84.1 | 0 | 0 | 0 | 110.3 | R28 V29 I31 V62 | R28-Y64 HydrophobicContact CG-CD2 3.67Å; R28-Y64 HydrophobicContact CG-CE2 3.74Å; V29-Y64 PolarHBondContact O-N 3.06Å; I31-Y64 PolarHBondContact N-O 2.88Å; V62-Y64 HydrophobicContact CB-CE2 4.32Å; V62-Y64 HydrophobicContact CG1-CD2 4.05Å; V62-Y64 HydrophobicContact CG1-CE2 3.42Å; V62-Y64 VanDerWaalsContact CG1-CE2 3.42Å |
| 65 | V | 97.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 71.8 Ų | 71.8 | 37% | 0.37 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 110.2 | 176.1 | 178 | 0 | 0 | 0 | 0 | 107.8 | F33 I47 V51 V63 | F33-V65 HydrophobicContact CD1-CG1 4.31Å; F33-V65 HydrophobicContact CE1-CG1 3.54Å; F33-V65 HydrophobicContact CZ-CG1 4.32Å; I47-V65 HydrophobicContact CD1-CG1 3.7Å; I47-V65 HydrophobicContact CG1-CG1 4.14Å; I47-V65 HydrophobicContact CG2-CG1 4.07Å; V51-V65 HydrophobicContact CG2-CG2 4.26Å; V63-V65 HydrophobicContact CG1-CG2 4.4Å |
| 66 | S | 96.2 | Very high | 95.8 | Very high | 47 Ų | 47 | 71 Ų | 71 | 33% | 0.329 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 107.5 | -177.4 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | I31 M32 F33 Q68 | I31-S66 PolarHBondContact O-N 2.83Å; M32-S66 WeakPolarHBondContact CA-O 3.37Å; F33-S66 PolarHBondContact N-O 2.91Å; S66-Q68 PolarHBondContact O-N 2.75Å |
| 67 | P | 95.7 | Very high | 95.8 | Very high | 62 Ų | 62 | 63.9 Ų | 63.9 | 40% | 0.403 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 128.5 | 167.4 | 27.9 | -31.6 | 0 | 0 | 0 | 109.6 | F33 K35 | F33-P67 HydrophobicContact CE1-CB 4.12Å; F33-P67 HydrophobicContact CZ-CB 4.07Å; F33-P67 CarbonylContact O-C 3.57Å; F33-P67 WeakPolarHBondContact O-CA 3.45Å; K35-P67 HydrophobicContact CD-CB 4.32Å; K35-P67 VanDerWaalsContact CE-CB 3.45Å; K35-P67 HydrophobicContact CG-CB 4Å |
| 68 | Q | 94.2 | Very high | 95.8 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 39% | 0.393 | 34% | 0.339 | S | S | . | . | trans | -133.4 | 156.5 | 179.5 | -65.4 | -170.8 | -7.4 | 0 | 0 | 110.8 | F33 S34 S66 C70 | F33-Q68 PolarHBondContact O-N 3.38Å; S34-Q68 VanDerWaalsContact CA-O 3.31Å; S34-Q68 WeakPolarHBondContact CA-O 3.49Å; S66-Q68 PolarHBondContact O-N 2.75Å; Q68-C70 HydrophobicContact CB-CB 4.44Å; Q68-C70 PolarHBondContact O-N 2.88Å | ||
| 69 | L | 90.5 | Very high | 95.9 | Very high | 188 Ų | 188 | 57.1 Ų | 57.1 | 98% | 0.984 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -78.2 | 68 | 169.7 | -66.3 | 174 | 0 | 0 | 0 | 109.5 | ||
| 70 | C | 86.3 | Confident | 95.9 | Very high | 27 Ų | 27 | 56 Ų | 56 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | trans | -119.3 | 138.6 | 179.6 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | F33 S34 Q68 | F33-C70 VanDerWaalsContact C-SG 3.59Å; S34-C70 WeakPolarHBondContact CB-O 3.39Å; Q68-C70 HydrophobicContact CB-CB 4.44Å; Q68-C70 PolarHBondContact O-N 2.88Å | ||
| 71 | S | 85.1 | Confident | 95.9 | Very high | 89 Ų | 89 | 55.7 Ų | 55.7 | 62% | 0.622 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -77.2 | -27.3 | 174 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | S39 | S39-S71 PolarHBondContact OG-O 2.92Š|
| 72 | I | 94.7 | Very high | 95.9 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 46% | 0.462 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -116.4 | 109.1 | -174.9 | -56.8 | 173.7 | 0 | 0 | 0 | 108.1 | L88 | I72-L88 HydrophobicContact CG2-CD1 4.4Å; I72-L88 HydrophobicContact CG2-CD2 3.85Å |
| 73 | P | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -70.5 | 146.5 | 175.1 | 32.1 | -36.3 | 0 | 0 | 0 | 110.1 | M32 F33 A40 V43 L89 | M32-P73 CarbonylContact O-C 3.52Å; M32-P73 VanDerWaalsContact O-CA 3.25Å; M32-P73 WeakPolarHBondContact O-CA 3.48Å; F33-P73 HydrophobicContact CB-CB 4.13Å; A40-P73 HydrophobicContact CB-CB 4.01Å; A40-P73 HydrophobicContact CB-CG 3.94Å; V43-P73 HydrophobicContact CG2-CB 4.08Å; V43-P73 HydrophobicContact CG2-CG 4.18Å; P73-L89 HydrophobicContact CB-CB 4.35Å; P73-L89 HydrophobicContact CG-CB 4.27Å; P73-L89 PolarHBondContact O-N 3.23Å | ||
| 74 | K | 97.6 | Very high | 95.8 | Very high | 56 Ų | 56 | 60.2 Ų | 60.2 | 24% | 0.243 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 160 | -177.9 | 59.4 | 168.5 | -179.8 | 174.7 | 0 | 112 | M32 E86 E87 L88 | M32-K74 HydrophobicContact CB-CG 4.12Å; M32-K74 HydrophobicContact CE-CD 3.95Å; M32-K74 HydrophobicContact CE-CG 3.85Å; M32-K74 PolarHBondContact N-O 3.47Å; M32-K74 PolarHBondContact O-N 2.95Å; M32-K74 HydrophobicContact SD-CG 4.45Å; K74-E86 VanDerWaalsContact CD-CD 3.4Å; K74-E86 HydrophobicContact CD-CG 3.98Å; K74-E86 WeakPolarHBondContact CD-OE1 3.48Å; K74-E86 IonicContact NZ-OE1 2.85Å; K74-E86 PolarHBondContact NZ-OE1 3.01Å; K74-E86 IonicContact NZ-OE2 2.88Å; K74-E86 PolarHBondContact NZ-OE2 2.61Å; K74-E87 WeakPolarHBondContact CA-O 3.44Å; K74-L88 HydrophobicContact CB-CD2 4.15Å |
| 75 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.4 | 173.2 | 61.8 | 0 | 0 | 0 | 0 | 110 | V29 S30 I31 E86 E87 L89 V100 L101 L104 | V29-V75 HydrophobicContact CG1-CG2 3.26Å; S30-V75 WeakPolarHBondContact O-CA 3.28Å; I31-V75 HydrophobicContact CG1-CG2 4.25Å; V75-E86 WeakPolarHBondContact O-CA 3.35Å; V75-E87 HydrophobicContact CG1-CB 3.97Å; V75-E87 PolarHBondContact N-O 2.92Å; V75-E87 PolarHBondContact O-N 3.03Å; V75-L89 HydrophobicContact CB-CD1 3.93Å; V75-L89 HydrophobicContact CB-CG 4.3Å; V75-L89 HydrophobicContact CG1-CD1 4.16Å; V75-L89 HydrophobicContact CG1-CD2 4.02Å; V75-L89 HydrophobicContact CG1-CG 4.07Å; V75-V100 HydrophobicContact CG1-CG1 4.28Å; V75-L101 HydrophobicContact CG2-CD2 3.97Å; V75-L104 HydrophobicContact CG1-CD1 3.78Å; V75-L104 HydrophobicContact CG2-CD1 4.37Å |
| 76 | V | 98.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 59 Ų | 59 | 13% | 0.127 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 117.7 | 173.9 | 175.4 | 0 | 0 | 0 | 0 | 108.4 | V29 S30 M32 T84 E86 | V29-V76 CarbonylContact C-O 3.56Å; V29-V76 WeakPolarHBondContact CA-O 3.4Å; S30-V76 PolarHBondContact N-O 2.9Å; S30-V76 PolarHBondContact O-N 3.29Å; M32-V76 HydrophobicContact CE-CB 4.11Å; M32-V76 HydrophobicContact CE-CG2 3.31Å; V76-T84 HydrophobicContact CG1-CG2 3.37Å; V76-E86 HydrophobicContact CG2-CB 4.4Å; V76-E86 HydrophobicContact CG2-CG 4.17Å |
| 77 | A | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | L26 R28 Y79 T84 K85 L104 | L26-A77 HydrophobicContact CD1-CB 3.68Å; R28-A77 WeakPolarHBondContact O-CA 3.48Å; A77-Y79 HydrophobicContact CB-CE2 4.04Å; A77-T84 CarbonylContact O-C 3.53Å; A77-T84 VanDerWaalsContact O-CA 3.31Å; A77-T84 WeakPolarHBondContact O-CA 3.39Å; A77-K85 PolarHBondContact N-O 3.37Å; A77-K85 PolarHBondContact O-N 3.3Å; A77-L104 HydrophobicContact CB-CB 4.35Å; A77-L104 HydrophobicContact CB-CD1 4.17Å; A77-L104 HydrophobicContact CB-CD2 4.1Å; A77-L104 HydrophobicContact CB-CG 4.44Å |
| 78 | E | 98.6 | Very high | 96 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 22% | 0.224 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.5 | 175 | -60.3 | 172 | -158.4 | 0 | 0 | 109.6 | K27 R28 T84 | K27-E78 WeakPolarHBondContact CB-O 3.21Å; K27-E78 PolarHBondContact N-O 3.45Å; R28-E78 HydrophobicContact CB-CB 4.21Å; R28-E78 IonicContact CZ-OE2 3.5Å; R28-E78 PolarHBondContact N-O 3.01Å; R28-E78 IonicContact NE-OE2 3.72Å; R28-E78 IonicContact NH1-OE1 3.14Å; R28-E78 PolarHBondContact NH1-OE1 2.97Å; R28-E78 VanDerWaalsContact NH1-OE1 3.14Å; R28-E78 IonicContact NH1-OE2 2.93Å; R28-E78 PolarHBondContact NH1-OE2 2.98Å; R28-E78 PolarHBondContact O-N 2.91Å; E78-T84 HydrophobicContact CG-CG2 4.37Å |
| 79 | Y | 98.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 160.7 | -178 | -62.2 | -92.2 | 0 | 0 | 0 | 112 | Q25 L26 A77 N81 G82 N83 K85 L104 Q107 | Q25-Y79 HydrophobicContact CB-CD1 4.24Å; Q25-Y79 CarbonylContact O-C 3.54Å; Q25-Y79 VanDerWaalsContact O-CA 3.23Å; Q25-Y79 WeakPolarHBondContact O-CA 3.39Å; L26-Y79 HydrophobicContact CB-CD1 4.42Å; L26-Y79 HydrophobicContact CB-CE1 4.33Å; L26-Y79 HydrophobicContact CD1-CD1 4.41Å; L26-Y79 HydrophobicContact CD1-CE1 4.13Å; A77-Y79 HydrophobicContact CB-CE2 4.04Å; Y79-N81 VanDerWaalsContact CB-OD1 3.24Å; Y79-N81 WeakPolarHBondContact CB-OD1 3.47Å; Y79-N81 PolarHBondContact O-N 2.83Å; Y79-G82 PolarHBondContact O-N 3.28Å; Y79-N83 WeakPolarHBondContact CD2-O 3.39Å; Y79-N83 PolarHBondContact N-O 3.41Å; Y79-K85 HydrophobicContact CE2-CB 4Å; Y79-L104 WeakPolarHBondContact CE1-O 3.24Å; Y79-L104 PolarHBondContact OH-O 3.17Å; Y79-L104 VanDerWaalsContact OH-O 3.11Å; Y79-Q107 HydrophobicContact CE1-CB 4.04Å; Y79-Q107 WeakPolarHBondContact CE1-O 3.39Å |
| 80 | L | 98.1 | Very high | 96.4 | Very high | 93 Ų | 93 | 49.1 Ų | 49.1 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27 | -179 | -67.8 | 179.3 | 0 | 0 | 0 | 114 | V23 C24 Q25 K27 G82 | V23-L80 HydrophobicContact CG1-CD1 4.01Å; C24-L80 WeakPolarHBondContact O-CD1 3.4Å; Q25-L80 PolarHBondContact O-N 3.32Å; K27-L80 HydrophobicContact CB-CD2 4.03Å; K27-L80 HydrophobicContact CD-CD2 4.33Å; K27-L80 HydrophobicContact CG-CD2 4.35Å; L80-G82 PolarHBondContact O-N 3.41Å |
| 81 | N | 96.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 54 Ų | 54 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 0.3 | 175.4 | 68.9 | -19.2 | 0 | 0 | 0 | 113.6 | V14 Y79 N83 G109 | V14-N81 HydrophobicContact CG1-CB 4.43Å; Y79-N81 VanDerWaalsContact CB-OD1 3.24Å; Y79-N81 WeakPolarHBondContact CB-OD1 3.47Å; Y79-N81 PolarHBondContact O-N 2.83Å; N81-N83 VanDerWaalsContact C-N 3.32Å; N81-N83 PolarHBondContact ND2-ND2 2.96Å; N81-N83 WeakPolarHBondContact OD1-CB 3.25Å; N81-N83 PolarHBondContact OD1-N 3.37Å; N81-N83 VanDerWaalsContact OD1-N 3.17Å; N81-G109 PolarHBondContact ND2-O 2.93Å |
| 82 | G | 96.9 | Very high | 97.5 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 87.1 | -5.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y79 L80 | Y79-G82 PolarHBondContact O-N 3.28Å; L80-G82 PolarHBondContact O-N 3.41Å |
| 83 | N | 97.5 | Very high | 97.6 | Very high | 60 Ų | 60 | 51.8 Ų | 51.8 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | trans | -75.1 | 148.9 | 176.1 | -76.3 | -0.9 | 0 | 0 | 0 | 111 | Y79 N81 G109 D111 | Y79-N83 WeakPolarHBondContact CD2-O 3.39Å; Y79-N83 PolarHBondContact N-O 3.41Å; N81-N83 VanDerWaalsContact C-N 3.32Å; N81-N83 PolarHBondContact ND2-ND2 2.96Å; N81-N83 WeakPolarHBondContact OD1-CB 3.25Å; N81-N83 PolarHBondContact OD1-N 3.37Å; N81-N83 VanDerWaalsContact OD1-N 3.17Å; N83-G109 VanDerWaalsContact CB-O 3.22Å; N83-G109 WeakPolarHBondContact CB-O 3.2Å; N83-G109 PolarHBondContact ND2-O 3.4Å; N83-D111 PolarHBondContact ND2-OD1 2.87Å | ||
| 84 | T | 98.1 | Very high | 97.7 | Very high | 91 Ų | 91 | 53.2 Ų | 53.2 | 56% | 0.558 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.1 | 178.6 | -58.7 | 0 | 0 | 0 | 0 | 109.6 | V76 A77 E78 | V76-T84 HydrophobicContact CG1-CG2 3.37Å; A77-T84 CarbonylContact O-C 3.53Å; A77-T84 VanDerWaalsContact O-CA 3.31Å; A77-T84 WeakPolarHBondContact O-CA 3.39Å; E78-T84 HydrophobicContact CG-CG2 4.37Å |
| 85 | K | 97.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 22% | 0.222 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.5 | 176.5 | -175 | 172.1 | 170.8 | -178.2 | 0 | 110.4 | A77 Y79 L104 | A77-K85 PolarHBondContact N-O 3.37Å; A77-K85 PolarHBondContact O-N 3.3Å; Y79-K85 HydrophobicContact CE2-CB 4Å; K85-L104 HydrophobicContact CD-CD2 3.75Å; K85-L104 HydrophobicContact CG-CD2 4.24Å |
| 86 | E | 97.5 | Very high | 97.7 | Very high | 104 Ų | 104 | 61.5 Ų | 61.5 | 49% | 0.486 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.4 | 172.3 | -173.5 | 169.3 | 142 | 0 | 0 | 109.7 | K74 V75 V76 | K74-E86 VanDerWaalsContact CD-CD 3.4Å; K74-E86 HydrophobicContact CD-CG 3.98Å; K74-E86 WeakPolarHBondContact CD-OE1 3.48Å; K74-E86 IonicContact NZ-OE1 2.85Å; K74-E86 PolarHBondContact NZ-OE1 3.01Å; K74-E86 IonicContact NZ-OE2 2.88Å; K74-E86 PolarHBondContact NZ-OE2 2.61Å; V75-E86 WeakPolarHBondContact O-CA 3.35Å; V76-E86 HydrophobicContact CG2-CB 4.4Å; V76-E86 HydrophobicContact CG2-CG 4.17Å |
| 87 | E | 97.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 60.5 Ų | 60.5 | 17% | 0.173 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.5 | 172.8 | -167.9 | 165.7 | 166.1 | 0 | 0 | 110.7 | K74 V75 V100 K103 | K74-E87 WeakPolarHBondContact CA-O 3.44Å; V75-E87 HydrophobicContact CG1-CB 3.97Å; V75-E87 PolarHBondContact N-O 2.92Å; V75-E87 PolarHBondContact O-N 3.03Å; E87-V100 HydrophobicContact CB-CG1 4.43Å; E87-V100 HydrophobicContact CG-CG1 4.11Å; E87-K103 IonicContact OE1-NZ 2.66Å; E87-K103 PolarHBondContact OE1-NZ 3.18Å; E87-K103 VanDerWaalsContact OE2-CE 3.24Å; E87-K103 WeakPolarHBondContact OE2-CE 3.21Å; E87-K103 IonicContact OE2-NZ 2.82Å; E87-K103 PolarHBondContact OE2-NZ 3Å |
| 88 | L | 97.5 | Very high | 97.6 | Very high | 96 Ų | 96 | 64 Ų | 64 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 137.3 | 179.1 | -58 | -177.8 | 0 | 0 | 0 | 110.5 | I72 K74 K92 | I72-L88 HydrophobicContact CG2-CD1 4.4Å; I72-L88 HydrophobicContact CG2-CD2 3.85Å; K74-L88 HydrophobicContact CB-CD2 4.15Å; L88-K92 VanDerWaalsContact O-CE 3.23Å; L88-K92 WeakPolarHBondContact O-CE 3.3Å |
| 89 | L | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | trans | -110.1 | 10.9 | 179 | -61.2 | -177.8 | 0 | 0 | 0 | 113 | V43 P73 V75 N91 K92 V97 V100 | V43-L89 HydrophobicContact CG1-CD1 4.48Å; V43-L89 HydrophobicContact CG2-CB 3.68Å; V43-L89 HydrophobicContact CG2-CD1 4.06Å; P73-L89 HydrophobicContact CB-CB 4.35Å; P73-L89 HydrophobicContact CG-CB 4.27Å; P73-L89 PolarHBondContact O-N 3.23Å; V75-L89 HydrophobicContact CB-CD1 3.93Å; V75-L89 HydrophobicContact CB-CG 4.3Å; V75-L89 HydrophobicContact CG1-CD1 4.16Å; V75-L89 HydrophobicContact CG1-CD2 4.02Å; V75-L89 HydrophobicContact CG1-CG 4.07Å; L89-N91 PolarHBondContact O-N 3.29Å; L89-K92 HydrophobicContact CD2-CD 4.08Å; L89-K92 PolarHBondContact O-N 3.32Å; L89-V97 HydrophobicContact CD1-CG1 4.18Å; L89-V100 HydrophobicContact CD2-CB 4.18Å; L89-V100 HydrophobicContact CD2-CG1 3.83Å; L89-V100 HydrophobicContact CD2-CG2 4.41Å | ||
| 90 | S | 96.5 | Very high | 97.6 | Very high | 41 Ų | 41 | 67.9 Ų | 67.9 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 131.4 | -175.9 | -163.4 | 0 | 0 | 0 | 0 | 112 | K92 | S90-K92 PolarHBondContact O-N 2.85Š|
| 91 | N | 96.1 | Very high | 97.6 | Very high | 128 Ų | 128 | 63.5 Ų | 63.5 | 68% | 0.684 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 27.2 | 176.9 | -55.3 | -39.2 | 0 | 0 | 0 | 114.3 | S39 L89 | S39-N91 VanDerWaalsContact CA-OD1 3.31Å; S39-N91 WeakPolarHBondContact CA-OD1 3.36Å; S39-N91 PolarHBondContact O-N 3.38Å; L89-N91 PolarHBondContact O-N 3.29Å |
| 92 | K | 97.6 | Very high | 97.7 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 27% | 0.265 | 35% | 0.345 | S | S | . | . | trans | -90.2 | 145.3 | 172.6 | -66.7 | -171.6 | -176 | -66.6 | 0 | 110.7 | G42 L88 L89 S90 Q96 V97 V100 | G42-K92 VanDerWaalsContact CA-O 3.3Å; G42-K92 WeakPolarHBondContact CA-O 3.39Å; L88-K92 VanDerWaalsContact O-CE 3.23Å; L88-K92 WeakPolarHBondContact O-CE 3.3Å; L89-K92 HydrophobicContact CD2-CD 4.08Å; L89-K92 PolarHBondContact O-N 3.32Å; S90-K92 PolarHBondContact O-N 2.85Å; K92-Q96 HydrophobicContact CB-CB 4.01Å; K92-Q96 HydrophobicContact CD-CB 4.47Å; K92-Q96 HydrophobicContact CG-CB 4.42Å; K92-V97 HydrophobicContact CB-CG2 3.91Å; K92-V100 HydrophobicContact CD-CG2 4.05Å | ||
| 93 | T | 98.1 | Very high | 97.7 | Very high | 72 Ų | 72 | 64.2 Ų | 64.2 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | trans | -73.9 | 163 | 168.5 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | Q95 Q96 V97 | T93-Q95 VanDerWaalsContact C-N 3.26Å; T93-Q95 PolarHBondContact O-N 2.9Å; T93-Q96 PolarHBondContact O-N 2.94Å; T93-Q96 VanDerWaalsContact O-N 3.09Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.3Å; T93-Q96 PolarHBondContact OG1-N 2.83Å; T93-V97 WeakPolarHBondContact O-CG2 3.46Å; T93-V97 PolarHBondContact O-N 2.85Å | ||
| 94 | S | 97.7 | Very high | 97.8 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 22% | 0.217 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53.5 | -42.7 | 176.6 | 176 | 0 | 0 | 0 | 0 | 112.6 | G42 F46 Q96 V97 L98 | G42-S94 WeakPolarHBondContact O-CA 3.3Å; F46-S94 WeakPolarHBondContact CA-OG 3.3Å; S94-Q96 PolarHBondContact O-N 2.83Å; S94-V97 WeakPolarHBondContact O-CB 3.23Å; S94-V97 PolarHBondContact O-N 2.88Å; S94-L98 PolarHBondContact O-N 3.11Å |
| 95 | Q | 97.8 | Very high | 97.8 | Very high | 150 Ų | 150 | 57.4 Ų | 57.4 | 70% | 0.701 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 176.3 | -68.2 | 177.7 | -15.9 | 0 | 0 | 112.6 | T93 V97 L98 E99 | T93-Q95 VanDerWaalsContact C-N 3.26Å; T93-Q95 PolarHBondContact O-N 2.9Å; Q95-V97 VanDerWaalsContact C-N 3.3Å; Q95-V97 PolarHBondContact O-N 3.48Å; Q95-L98 WeakPolarHBondContact O-CB 3.31Å; Q95-L98 PolarHBondContact O-N 2.9Å; Q95-L98 VanDerWaalsContact O-N 3.17Å; Q95-E99 WeakPolarHBondContact O-CG 3.24Å; Q95-E99 PolarHBondContact O-N 3.39Å |
| 96 | Q | 98.3 | Very high | 97.7 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.5 | -32.5 | 176.8 | -71.2 | 173 | -19.3 | 0 | 0 | 112.3 | K92 T93 S94 E99 V100 | K92-Q96 HydrophobicContact CB-CB 4.01Å; K92-Q96 HydrophobicContact CD-CB 4.47Å; K92-Q96 HydrophobicContact CG-CB 4.42Å; T93-Q96 PolarHBondContact O-N 2.94Å; T93-Q96 VanDerWaalsContact O-N 3.09Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.3Å; T93-Q96 PolarHBondContact OG1-N 2.83Å; S94-Q96 PolarHBondContact O-N 2.83Å; Q96-E99 PolarHBondContact O-N 2.82Å; Q96-V100 VanDerWaalsContact O-CG2 3.3Å; Q96-V100 WeakPolarHBondContact O-CG2 3.38Å; Q96-V100 PolarHBondContact O-N 2.66Å |
| 97 | V | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 172.1 | 174.6 | 0 | 0 | 0 | 0 | 110 | V43 F46 L89 K92 T93 S94 Q95 E99 V100 L101 | V43-V97 HydrophobicContact CG2-CG2 3.95Å; F46-V97 HydrophobicContact CB-CB 4.29Å; F46-V97 HydrophobicContact CB-CG1 4.13Å; F46-V97 HydrophobicContact CD1-CG1 3.74Å; F46-V97 HydrophobicContact CD2-CG1 4.36Å; F46-V97 HydrophobicContact CE1-CG1 4.3Å; F46-V97 HydrophobicContact CG-CB 4.24Å; F46-V97 HydrophobicContact CG-CG1 3.78Å; L89-V97 HydrophobicContact CD1-CG1 4.18Å; K92-V97 HydrophobicContact CB-CG2 3.91Å; T93-V97 WeakPolarHBondContact O-CG2 3.46Å; T93-V97 PolarHBondContact O-N 2.85Å; S94-V97 WeakPolarHBondContact O-CB 3.23Å; S94-V97 PolarHBondContact O-N 2.88Å; Q95-V97 VanDerWaalsContact C-N 3.3Å; Q95-V97 PolarHBondContact O-N 3.48Å; V97-E99 PolarHBondContact O-N 2.96Å; V97-V100 PolarHBondContact O-N 3.42Å; V97-L101 HydrophobicContact CG1-CD1 4.19Å; V97-L101 WeakPolarHBondContact O-CG 2.96Å; V97-L101 PolarHBondContact O-N 3.44Å |
| 98 | L | 98.1 | Very high | 97.7 | Very high | 74 Ų | 74 | 58.4 Ų | 58.4 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 175.3 | 177.8 | 60.3 | 0 | 0 | 0 | 112.3 | F46 F54 S94 Q95 V100 L101 T102 | F46-L98 HydrophobicContact CD2-CB 4.28Å; F46-L98 HydrophobicContact CE2-CB 3.88Å; F46-L98 HydrophobicContact CE2-CD1 4.04Å; F46-L98 HydrophobicContact CE2-CG 4.47Å; F46-L98 HydrophobicContact CZ-CD1 4.47Å; F54-L98 HydrophobicContact CD2-CD1 4.13Å; S94-L98 PolarHBondContact O-N 3.11Å; Q95-L98 WeakPolarHBondContact O-CB 3.31Å; Q95-L98 PolarHBondContact O-N 2.9Å; Q95-L98 VanDerWaalsContact O-N 3.17Å; L98-V100 VanDerWaalsContact C-N 3.34Å; L98-V100 PolarHBondContact O-N 2.93Å; L98-L101 PolarHBondContact O-N 3.09Å; L98-T102 WeakPolarHBondContact O-CB 3.32Å; L98-T102 PolarHBondContact O-N 3.2Å; L98-T102 PolarHBondContact O-OG1 3.06Å |
| 99 | E | 98.3 | Very high | 97.7 | Very high | 128 Ų | 128 | 54.2 Ų | 54.2 | 60% | 0.598 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.5 | -43.5 | 174.3 | -72.9 | 173.2 | -175.8 | 0 | 0 | 111.8 | Q95 Q96 V97 T102 K103 | Q95-E99 WeakPolarHBondContact O-CG 3.24Å; Q95-E99 PolarHBondContact O-N 3.39Å; Q96-E99 PolarHBondContact O-N 2.82Å; V97-E99 PolarHBondContact O-N 2.96Å; E99-T102 PolarHBondContact O-N 2.99Å; E99-K103 VanDerWaalsContact O-CB 3.3Å; E99-K103 WeakPolarHBondContact O-CB 3.37Å; E99-K103 PolarHBondContact O-N 3.03Å |
| 100 | V | 98.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176.1 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | V75 E87 L89 K92 Q96 V97 L98 K103 L104 | V75-V100 HydrophobicContact CG1-CG1 4.28Å; E87-V100 HydrophobicContact CB-CG1 4.43Å; E87-V100 HydrophobicContact CG-CG1 4.11Å; L89-V100 HydrophobicContact CD2-CB 4.18Å; L89-V100 HydrophobicContact CD2-CG1 3.83Å; L89-V100 HydrophobicContact CD2-CG2 4.41Å; K92-V100 HydrophobicContact CD-CG2 4.05Å; Q96-V100 VanDerWaalsContact O-CG2 3.3Å; Q96-V100 WeakPolarHBondContact O-CG2 3.38Å; Q96-V100 PolarHBondContact O-N 2.66Å; V97-V100 PolarHBondContact O-N 3.42Å; L98-V100 VanDerWaalsContact C-N 3.34Å; L98-V100 PolarHBondContact O-N 2.93Å; V100-K103 PolarHBondContact O-N 2.79Å; V100-L104 HydrophobicContact CG1-CD1 4.02Å; V100-L104 VanDerWaalsContact O-CG 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.41Å; V100-L104 PolarHBondContact O-N 3.3Å |
| 101 | L | 98 | Very high | 97.7 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 178.4 | -71.9 | 174.1 | 0 | 0 | 0 | 112.5 | V29 I31 F46 F54 V75 V97 L98 L104 T105 | V29-L101 HydrophobicContact CG1-CD2 3.66Å; I31-L101 HydrophobicContact CD1-CD1 4.39Å; F46-L101 HydrophobicContact CD1-CD1 4.2Å; F46-L101 HydrophobicContact CE1-CD1 3.28Å; F46-L101 HydrophobicContact CE2-CD1 4.32Å; F46-L101 HydrophobicContact CZ-CD1 3.36Å; F54-L101 HydrophobicContact CD2-CB 4.29Å; F54-L101 HydrophobicContact CE2-CB 3.81Å; F54-L101 HydrophobicContact CZ-CB 4.14Å; V75-L101 HydrophobicContact CG2-CD2 3.97Å; V97-L101 HydrophobicContact CG1-CD1 4.19Å; V97-L101 WeakPolarHBondContact O-CG 2.96Å; V97-L101 PolarHBondContact O-N 3.44Å; L98-L101 PolarHBondContact O-N 3.09Å; L101-L104 PolarHBondContact O-N 3.28Å; L101-T105 WeakPolarHBondContact O-CB 3.35Å; L101-T105 PolarHBondContact O-N 3.3Å; L101-T105 PolarHBondContact O-OG1 3.49Å |
| 102 | T | 97.9 | Very high | 97.6 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 32% | 0.319 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 175.7 | -56 | 0 | 0 | 0 | 0 | 109.9 | L98 E99 L104 T105 D106 | L98-T102 WeakPolarHBondContact O-CB 3.32Å; L98-T102 PolarHBondContact O-N 3.2Å; L98-T102 PolarHBondContact O-OG1 3.06Å; E99-T102 PolarHBondContact O-N 2.99Å; T102-L104 VanDerWaalsContact C-N 3.31Å; T102-L104 PolarHBondContact O-N 3.14Å; T102-T105 WeakPolarHBondContact O-CA 3.23Å; T102-T105 WeakPolarHBondContact O-CB 3.22Å; T102-T105 PolarHBondContact O-N 3.39Å; T102-D106 PolarHBondContact O-N 3.18Å |
| 103 | K | 98.2 | Very high | 97.6 | Very high | 82 Ų | 82 | 58 Ų | 58 | 36% | 0.357 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.6 | -40 | 175 | 179.3 | -168.2 | 70 | -174.4 | 0 | 112.8 | E87 E99 V100 T105 Q107 | E87-K103 IonicContact OE1-NZ 2.66Å; E87-K103 PolarHBondContact OE1-NZ 3.18Å; E87-K103 VanDerWaalsContact OE2-CE 3.24Å; E87-K103 WeakPolarHBondContact OE2-CE 3.21Å; E87-K103 IonicContact OE2-NZ 2.82Å; E87-K103 PolarHBondContact OE2-NZ 3Å; E99-K103 VanDerWaalsContact O-CB 3.3Å; E99-K103 WeakPolarHBondContact O-CB 3.37Å; E99-K103 PolarHBondContact O-N 3.03Å; V100-K103 PolarHBondContact O-N 2.79Å; K103-T105 VanDerWaalsContact C-N 3.34Å; K103-Q107 WeakPolarHBondContact O-CG 3.33Å; K103-Q107 PolarHBondContact O-N 2.75Å |
| 104 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.2 | -34.1 | 176.2 | -69.7 | 168.9 | 0 | 0 | 0 | 111.7 | V75 A77 Y79 K85 V100 L101 T102 Q107 | V75-L104 HydrophobicContact CG1-CD1 3.78Å; V75-L104 HydrophobicContact CG2-CD1 4.37Å; A77-L104 HydrophobicContact CB-CB 4.35Å; A77-L104 HydrophobicContact CB-CD1 4.17Å; A77-L104 HydrophobicContact CB-CD2 4.1Å; A77-L104 HydrophobicContact CB-CG 4.44Å; Y79-L104 WeakPolarHBondContact CE1-O 3.24Å; Y79-L104 PolarHBondContact OH-O 3.17Å; Y79-L104 VanDerWaalsContact OH-O 3.11Å; K85-L104 HydrophobicContact CD-CD2 3.75Å; K85-L104 HydrophobicContact CG-CD2 4.24Å; V100-L104 HydrophobicContact CG1-CD1 4.02Å; V100-L104 VanDerWaalsContact O-CG 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.41Å; V100-L104 PolarHBondContact O-N 3.3Å; L101-L104 PolarHBondContact O-N 3.28Å; T102-L104 VanDerWaalsContact C-N 3.31Å; T102-L104 PolarHBondContact O-N 3.14Å; L104-Q107 PolarHBondContact O-N 3.46Å |
| 105 | T | 97.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 61.2 Ų | 61.2 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 177 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | L26 N58 L101 T102 K103 Q107 | L26-T105 HydrophobicContact CD2-CG2 4.33Å; L26-T105 WeakPolarHBondContact CD2-OG1 3.45Å; N58-T105 WeakPolarHBondContact OD1-CG2 3.42Å; L101-T105 WeakPolarHBondContact O-CB 3.35Å; L101-T105 PolarHBondContact O-N 3.3Å; L101-T105 PolarHBondContact O-OG1 3.49Å; T102-T105 WeakPolarHBondContact O-CA 3.23Å; T102-T105 WeakPolarHBondContact O-CB 3.22Å; T102-T105 PolarHBondContact O-N 3.39Å; K103-T105 VanDerWaalsContact C-N 3.34Å; T105-Q107 VanDerWaalsContact C-N 3.25Å; T105-Q107 PolarHBondContact O-N 3.34Å |
| 106 | D | 97.4 | Very high | 97.5 | Very high | 119 Ų | 119 | 60.5 Ų | 60.5 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -77.4 | -10.8 | -179.3 | -62.8 | -26.7 | 0 | 0 | 0 | 113.2 | T102 | T102-D106 PolarHBondContact O-N 3.18Š|
| 107 | Q | 97.7 | Very high | 97.4 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 23% | 0.229 | 30% | 0.3 | C | S | . | . | trans | -82.1 | 152.9 | 179.5 | -81.3 | 169.4 | 12 | 0 | 0 | 112.7 | Y79 K103 L104 T105 | Y79-Q107 HydrophobicContact CE1-CB 4.04Å; Y79-Q107 WeakPolarHBondContact CE1-O 3.39Å; K103-Q107 WeakPolarHBondContact O-CG 3.33Å; K103-Q107 PolarHBondContact O-N 2.75Å; L104-Q107 PolarHBondContact O-N 3.46Å; T105-Q107 VanDerWaalsContact C-N 3.25Å; T105-Q107 PolarHBondContact O-N 3.34Å | ||
| 108 | S | 97.3 | Very high | 97.4 | Very high | 45 Ų | 45 | 66.7 Ų | 66.7 | 32% | 0.315 | 34% | 0.335 | S | S | . | . | trans | -92.4 | -3.7 | -178 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | Q110 | S108-Q110 PolarHBondContact O-N 3.02Š| ||
| 109 | G | 96.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 70.2 Ų | 70.2 | 8% | 0.082 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 76.8 | 0.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N81 N83 | N81-G109 PolarHBondContact ND2-O 2.93Å; N83-G109 VanDerWaalsContact CB-O 3.22Å; N83-G109 WeakPolarHBondContact CB-O 3.2Å; N83-G109 PolarHBondContact ND2-O 3.4Å |
| 110 | Q | 97.1 | Very high | 97.3 | Very high | 38 Ų | 38 | 68.8 Ų | 68.8 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | trans | -73.3 | 151.1 | 173 | -67.2 | -177.5 | 8.5 | 0 | 0 | 111.9 | K12 V14 S108 I112 | K12-Q110 PolarHBondContact O-NE2 3.11Å; K12-Q110 PolarHBondContact O-OE1 3.41Å; V14-Q110 HydrophobicContact CG2-CG 4.23Å; S108-Q110 PolarHBondContact O-N 3.02Å; Q110-I112 PolarHBondContact O-N 3.35Å | ||
| 111 | D | 96 | Very high | 97.3 | Very high | 92 Ų | 92 | 72.1 Ų | 72.1 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | trans | -57.2 | 131.7 | 179.3 | -56.7 | -22.4 | 0 | 0 | 0 | 111.7 | R9 N83 I113 | R9-D111 PolarHBondContact NE-O 3.45Å; R9-D111 PolarHBondContact NH2-O 3.05Å; N83-D111 PolarHBondContact ND2-OD1 2.87Å; D111-I113 HydrophobicContact CB-CD1 4.21Å; D111-I113 HydrophobicContact CB-CG1 4.11Å; D111-I113 HydrophobicContact CB-CG2 4.16Å; D111-I113 PolarHBondContact O-N 3.15Å | ||
| 112 | I | 95.5 | Very high | 97.2 | Very high | 128 Ų | 128 | 77.8 Ų | 77.8 | 66% | 0.656 | 39% | 0.388 | S | S | * | . | trans | -83.9 | 75.4 | 176 | -54.4 | 179.5 | 0 | 0 | 0 | 107.8 | Q110 | Q110-I112 PolarHBondContact O-N 3.35Š| ||
| 113 | I | 96.2 | Very high | 97.2 | Very high | 53 Ų | 53 | 79.6 Ų | 79.6 | 27% | 0.272 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -127.3 | 172.1 | 178.2 | 62.2 | 175.9 | 0 | 0 | 0 | 109.3 | P7 R9 D111 I115 | P7-I113 HydrophobicContact CB-CD1 4.26Å; P7-I113 HydrophobicContact CG-CD1 4.49Å; P7-I113 HydrophobicContact CG-CG2 4.18Å; R9-I113 HydrophobicContact CB-CD1 4.06Å; R9-I113 HydrophobicContact CB-CG1 4.46Å; R9-I113 HydrophobicContact CG-CD1 4.01Å; R9-I113 HydrophobicContact CG-CG1 3.87Å; D111-I113 HydrophobicContact CB-CD1 4.21Å; D111-I113 HydrophobicContact CB-CG1 4.11Å; D111-I113 HydrophobicContact CB-CG2 4.16Å; D111-I113 PolarHBondContact O-N 3.15Å; I113-I115 PolarHBondContact O-N 2.86Å |
| 114 | R | 97 | Very high | 97.2 | Very high | 94 Ų | 94 | 80.9 Ų | 80.9 | 36% | 0.355 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 123.9 | -177 | -176.1 | 178.7 | 60.6 | 84.3 | -7.9 | 111.5 | S3 S8 R9 | S3-R114 WeakPolarHBondContact OG-CD 3.27Å; S3-R114 PolarHBondContact OG-NE 3.14Å; S3-R114 PolarHBondContact OG-NH2 2.89Å; S8-R114 VanDerWaalsContact CA-O 3.27Å; S8-R114 WeakPolarHBondContact CA-O 3.43Å; S8-R114 VanDerWaalsContact CB-O 3.24Å; S8-R114 WeakPolarHBondContact CB-O 3.24Å; S8-R114 PolarHBondContact OG-NH2 3.18Å; R9-R114 PolarHBondContact N-O 2.82Å |
| 115 | I | 97.6 | Very high | 97.1 | Very high | 75 Ų | 75 | 83.5 Ų | 83.5 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 125.9 | 171.7 | -63.7 | 171.4 | 0 | 0 | 0 | 108.6 | R9 L11 I113 K117 | R9-I115 WeakPolarHBondContact O-CA 3.38Å; L11-I115 HydrophobicContact CB-CG2 4.08Å; L11-I115 HydrophobicContact CD1-CD1 4.33Å; I113-I115 PolarHBondContact O-N 2.86Å; I115-K117 WeakPolarHBondContact CG2-O 3.39Å |
| 116 | R | 97 | Very high | 97.1 | Very high | 135 Ų | 135 | 91.2 Ų | 91.2 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -75 | -40.3 | -175.7 | -68 | -174.4 | 178 | -160.6 | 3.5 | 113.7 | S8 R9 F10 | S8-R116 PolarHBondContact OG-NE 3.23Å; S8-R116 PolarHBondContact OG-NH2 3.35Å; S8-R116 VanDerWaalsContact OG-NH2 3.08Å; R9-R116 PolarHBondContact O-N 3.1Å; F10-R116 HydrophobicContact CD1-CB 3.9Å; F10-R116 HydrophobicContact CE1-CB 3.78Å; F10-R116 HydrophobicContact CE1-CG 4.5Å; F10-R116 HydrophobicContact CZ-CB 4.37Å |
| 117 | K | 97.8 | Very high | 97.2 | Very high | 97 Ų | 97 | 94.9 Ų | 94.9 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | trans | -132.1 | 129.3 | -179.9 | -64.1 | -174.9 | 177.4 | -173.5 | 0 | 108.2 | F10 I115 Y119 | F10-K117 HydrophobicContact CD1-CB 4.4Å; F10-K117 HydrophobicContact CD1-CD 4.28Å; F10-K117 HydrophobicContact CD1-CG 4.17Å; F10-K117 HydrophobicContact CE1-CD 4Å; F10-K117 HydrophobicContact CE1-CG 4.01Å; I115-K117 WeakPolarHBondContact CG2-O 3.39Å; K117-Y119 HydrophobicContact CD-CE2 4.11Å; K117-Y119 PolarHBondContact O-N 2.97Å; K117-Y119 VanDerWaalsContact O-N 3.14Å | ||
| 118 | P | 97.4 | Very high | 97.1 | Very high | 114 Ų | 114 | 95.1 Ų | 95.1 | 74% | 0.74 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -77.2 | 10.5 | -179.8 | 33.7 | -36 | 0 | 0 | 0 | 113 | ||
| 119 | Y | 97.2 | Very high | 97.2 | Very high | 148 Ų | 148 | 100.6 Ų | 100.6 | 58% | 0.58 | 53% | 0.527 | S | S | * | . | trans | -139.4 | 157 | 177.7 | 58.4 | -97.5 | 0 | 0 | 0 | 109.8 | K117 | K117-Y119 HydrophobicContact CD-CE2 4.11Å; K117-Y119 PolarHBondContact O-N 2.97Å; K117-Y119 VanDerWaalsContact O-N 3.14Å | ||
| 120 | H | 97.7 | Very high | 97.2 | Very high | 97 Ų | 97 | 108.3 Ų | 108.3 | 45% | 0.449 | 55% | 0.554 | S | S | . | * | trans | -149 | 138 | 174.3 | 173.3 | 63.4 | 0 | 0 | 0 | 108.9 | L11 D122 | L11-H120 HydrophobicContact CB-CB 4.4Å; L11-H120 WeakPolarHBondContact O-CB 3.13Å; H120-D122 IonicContact CE1-OD1 3.45Å; H120-D122 PolarHBondContact CE1-OD1 2.86Å; H120-D122 IonicContact NE2-OD1 3.41Å; H120-D122 PolarHBondContact NE2-OD1 3.18Å | ||
| 121 | T | 97.4 | Very high | 97.2 | Very high | 80 Ų | 80 | 111 Ų | 111 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | trans | -146 | 137.8 | 172.8 | 179 | 0 | 0 | 0 | 0 | 108.4 | S123 P124 | T121-S123 VanDerWaalsContact C-N 3.3Å; T121-S123 PolarHBondContact OG1-N 3.44Å; T121-S123 VanDerWaalsContact OG1-N 3.11Å; T121-S123 PolarHBondContact OG1-O 3.08Å; T121-P124 HydrophobicContact CG2-CB 4.09Å | ||
| 122 | D | 96.8 | Very high | 97.2 | Very high | 120 Ų | 120 | 111.2 Ų | 111.2 | 64% | 0.642 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -82.5 | -13.1 | 171.5 | -67.4 | -34.9 | 0 | 0 | 0 | 111.5 | H120 | H120-D122 IonicContact CE1-OD1 3.45Å; H120-D122 PolarHBondContact CE1-OD1 2.86Å; H120-D122 IonicContact NE2-OD1 3.41Å; H120-D122 PolarHBondContact NE2-OD1 3.18Å |
| 123 | S | 97.2 | Very high | 97.1 | Very high | 90 Ų | 90 | 111.2 Ų | 111.2 | 63% | 0.629 | 57% | 0.568 | S | S | * | * | trans | -126.3 | 81.9 | 179.5 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | T121 | T121-S123 VanDerWaalsContact C-N 3.3Å; T121-S123 PolarHBondContact OG1-N 3.44Å; T121-S123 VanDerWaalsContact OG1-N 3.11Å; T121-S123 PolarHBondContact OG1-O 3.08Å | ||
| 124 | P | 97.3 | Very high | 97 | Very high | 109 Ų | 109 | 111.6 Ų | 111.6 | 71% | 0.708 | 57% | 0.573 | S | S | * | * | trans | -76.9 | -17.9 | -174.5 | 29.7 | -35.9 | 0 | 0 | 0 | 114.9 | T121 | T121-P124 HydrophobicContact CG2-CB 4.09Š| ||
| 125 | S | 97.9 | Very high | 96.9 | Very high | 55 Ų | 55 | 114.7 Ų | 114.7 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | trans | -135.1 | 147.4 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | G128 | S125-G128 PolarHBondContact OG-N 2.78Å; S125-G128 PolarHBondContact OG-O 3.2Å | ||
| 126 | I | 97.9 | Very high | 96.5 | Very high | 169 Ų | 169 | 117.6 Ų | 117.6 | 87% | 0.867 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -107.1 | -39.2 | -179.9 | -60.5 | 172.3 | 0 | 0 | 0 | 111.1 | ||
| 127 | Q | 97.8 | Very high | 96 | Very high | 196 Ų | 196 | 116 Ų | 116 | 92% | 0.916 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -99 | 9.8 | -174.4 | -66.1 | 177.8 | -21 | 0 | 0 | 113.5 | ||
| 128 | G | 96.6 | Very high | 95.3 | Very high | 54 Ų | 54 | 117.3 Ų | 117.3 | 56% | 0.557 | 62% | 0.622 | S | S | * | * | trans | 103.8 | 140.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S125 | S125-G128 PolarHBondContact OG-N 2.78Å; S125-G128 PolarHBondContact OG-O 3.2Å | ||
| 129 | Q | 98 | Very high | 94.4 | Very high | 160 Ų | 160 | 114.7 Ų | 114.7 | 75% | 0.748 | 61% | 0.607 | S | S | * | * | trans | -72.9 | 139.7 | 174.9 | -174.7 | 172.1 | -5.6 | 0 | 0 | 109.1 | H131 | Q129-H131 PolarHBondContact O-N 3.19Š| ||
| 130 | W | 97.6 | Very high | 93.1 | Very high | 171 Ų | 171 | 115.4 Ų | 115.4 | 65% | 0.648 | 63% | 0.627 | S | S | * | * | trans | -55 | 133.9 | 173 | 179.8 | 92.7 | 0 | 0 | 0 | 110.4 | P132 | W130-P132 HydrophobicContact CH2-CB 4.39Å; W130-P132 HydrophobicContact CH2-CG 4.06Å; W130-P132 HydrophobicContact CZ3-CG 4.21Å | ||
| 131 | H | 96.9 | Very high | 91.8 | Very high | 94 Ų | 94 | 113.2 Ų | 113.2 | 44% | 0.435 | 63% | 0.63 | S | S | . | * | trans | -133.1 | 161.3 | 168.6 | 60.6 | 88.4 | 0 | 0 | 0 | 109 | Q129 F133 T134 | Q129-H131 PolarHBondContact O-N 3.19Å; H131-F133 PolarHBondContact ND1-N 2.94Å; H131-F133 PolarHBondContact O-N 3.35Å; H131-T134 PolarHBondContact CD2-OG1 3.08Å; H131-T134 PolarHBondContact CE1-N 3.34Å; H131-T134 VanDerWaalsContact CE1-N 3.34Å; H131-T134 PolarHBondContact N-OG1 3.08Å; H131-T134 PolarHBondContact ND1-N 2.97Å; H131-T134 PolarHBondContact NE2-OG1 3.34Å; H131-T134 WeakPolarHBondContact O-CB 3.44Å; H131-T134 PolarHBondContact O-N 3.45Å; H131-T134 PolarHBondContact O-OG1 3.18Å | ||
| 132 | P | 96.4 | Very high | 90.2 | Very high | 97 Ų | 97 | 116.1 Ų | 116.1 | 63% | 0.63 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -16.3 | -174.7 | -29.5 | 36.9 | 0 | 0 | 0 | 116.2 | W130 | W130-P132 HydrophobicContact CH2-CB 4.39Å; W130-P132 HydrophobicContact CH2-CG 4.06Å; W130-P132 HydrophobicContact CZ3-CG 4.21Å |
| 133 | F | 93.5 | Very high | 88.8 | Confident | 128 Ų | 128 | 116.8 Ų | 116.8 | 56% | 0.561 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -0.9 | 179.7 | -54.6 | -61 | 0 | 0 | 0 | 114.2 | H131 H135 R136 | H131-F133 PolarHBondContact ND1-N 2.94Å; H131-F133 PolarHBondContact O-N 3.35Å; F133-H135 PolarHBondContact O-N 2.96Å; F133-R136 HydrophobicContact CB-CB 4.42Å; F133-R136 HydrophobicContact CD1-CB 4.3Å; F133-R136 PolarHBondContact O-N 2.86Å; F133-R136 VanDerWaalsContact O-N 3.08Å |
| 134 | T | 94.2 | Very high | 87.1 | Confident | 61 Ų | 61 | 121.2 Ų | 121.2 | 37% | 0.374 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.3 | -35.1 | -176.9 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | H131 | H131-T134 PolarHBondContact CD2-OG1 3.08Å; H131-T134 PolarHBondContact CE1-N 3.34Å; H131-T134 VanDerWaalsContact CE1-N 3.34Å; H131-T134 PolarHBondContact N-OG1 3.08Å; H131-T134 PolarHBondContact ND1-N 2.97Å; H131-T134 PolarHBondContact NE2-OG1 3.34Å; H131-T134 WeakPolarHBondContact O-CB 3.44Å; H131-T134 PolarHBondContact O-N 3.45Å; H131-T134 PolarHBondContact O-OG1 3.18Å |
| 135 | H | 94.4 | Very high | 85.6 | Confident | 158 Ų | 158 | 121.4 Ų | 121.4 | 73% | 0.731 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.7 | 19.3 | 178.3 | -55.7 | -60.5 | 0 | 0 | 0 | 112.7 | F133 | F133-H135 PolarHBondContact O-N 2.96Š|
| 136 | R | 88.8 | Confident | 83.9 | Confident | 136 Ų | 136 | 127.3 Ų | 127.3 | 51% | 0.513 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -93.6 | 122.3 | 175.3 | -171.7 | -179.2 | -179.9 | 172.8 | 1.1 | 108.8 | F133 | F133-R136 HydrophobicContact CB-CB 4.42Å; F133-R136 HydrophobicContact CD1-CB 4.3Å; F133-R136 PolarHBondContact O-N 2.86Å; F133-R136 VanDerWaalsContact O-N 3.08Å |
| 137 | P | 86.8 | Confident | 82 | Confident | 103 Ų | 103 | 126.2 Ų | 126.2 | 67% | 0.669 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 140.9 | 172.7 | 26.7 | -33.1 | 0 | 0 | 0 | 109.4 | S139 | P137-S139 PolarHBondContact O-N 3.4Š|
| 138 | P | 82.9 | Confident | 80.1 | Confident | 123 Ų | 123 | 124.9 Ų | 124.9 | 80% | 0.799 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 135.5 | 176.1 | 24.8 | -31.8 | 0 | 0 | 0 | 109.6 | V140 | P138-V140 PolarHBondContact O-N 3.34Š|
| 139 | S | 78 | Confident | 78 | Confident | 59 Ų | 59 | 133.5 Ų | 133.5 | 41% | 0.413 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -73.8 | 127.7 | 172.8 | 50.8 | 0 | 0 | 0 | 0 | 109.1 | P137 G141 | P137-S139 PolarHBondContact O-N 3.4Å; S139-G141 PolarHBondContact O-N 2.89Å; S139-G141 PolarHBondContact OG-O 3.49Å |
| 140 | V | 71.9 | Confident | 75.8 | Confident | 164 Ų | 164 | 132.5 Ų | 132.5 | 99% | 0.994 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -74.9 | 72.4 | 169.1 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | P138 | P138-V140 PolarHBondContact O-N 3.34Š|
| 141 | G | 68.7 | Low | 73.2 | Confident | 51 Ų | 51 | 136.4 Ų | 136.4 | 53% | 0.526 | 71% | 0.705 | S | S | . | * | S | Bend | trans | 148.6 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S139 I143 | S139-G141 PolarHBondContact O-N 2.89Å; S139-G141 PolarHBondContact OG-O 3.49Å; G141-I143 PolarHBondContact O-N 2.95Å |
| 142 | L | 64.6 | Low | 72 | Confident | 140 Ų | 140 | 138.6 Ų | 138.6 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | -58.6 | 124.9 | 176.3 | -84.7 | 148.5 | 0 | 0 | 0 | 110.8 | R144 | L142-R144 HydrophobicContact CB-CG 4.26Å; L142-R144 PolarHBondContact O-N 3.32Å | ||
| 143 | I | 66.4 | Low | 70.7 | Confident | 134 Ų | 134 | 140.7 Ų | 140.7 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | trans | -64.8 | 101.7 | 173.3 | -56.8 | 170.8 | 0 | 0 | 0 | 107.6 | G141 | G141-I143 PolarHBondContact O-N 2.95Š| ||
| 144 | R | 62.4 | Low | 69.5 | Low | 183 Ų | 183 | 141.4 Ų | 141.4 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | trans | -129.3 | 143.9 | 174.8 | -65.2 | -176.8 | -179.9 | -173.6 | -0.8 | 109.2 | L142 Q146 | L142-R144 HydrophobicContact CB-CG 4.26Å; L142-R144 PolarHBondContact O-N 3.32Å; R144-Q146 PolarHBondContact O-N 3.31Å | ||
| 145 | P | 65.6 | Low | 68 | Low | 114 Ų | 114 | 146.2 Ų | 146.2 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | trans | -56.1 | 130.2 | 163.3 | -12 | 24.9 | 0 | 0 | 0 | 107.7 | N147 | P145-N147 PolarHBondContact O-N 3.08Å; P145-N147 VanDerWaalsContact O-N 3.08Å | ||
| 146 | Q | 61.8 | Low | 66.4 | Low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | trans | -68.2 | 109.3 | 166.3 | -69.1 | -163.1 | -3.1 | 0 | 0 | 106.4 | R144 H148 | R144-Q146 PolarHBondContact O-N 3.31Å; Q146-H148 VanDerWaalsContact C-N 3.34Å; Q146-H148 PolarHBondContact O-N 2.92Å | ||
| 147 | N | 58.3 | Low | 64.9 | Low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -61.9 | 102.6 | 167.3 | -74.4 | -10.9 | 0 | 0 | 0 | 106.5 | P145 R149 | P145-N147 PolarHBondContact O-N 3.08Å; P145-N147 VanDerWaalsContact O-N 3.08Å; N147-R149 VanDerWaalsContact C-N 3.3Å; N147-R149 PolarHBondContact O-N 3.11Å | ||
| 148 | H | 57.9 | Low | 63.3 | Low | 168 Ų | 168 | 149.1 Ų | 149.1 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | trans | -62.1 | 101.5 | 161.4 | -90.8 | -47.4 | 0 | 0 | 0 | 106.4 | Q146 V150 | Q146-H148 VanDerWaalsContact C-N 3.34Å; Q146-H148 PolarHBondContact O-N 2.92Å; H148-V150 PolarHBondContact O-N 2.92Å; H148-V150 VanDerWaalsContact O-N 3.11Å | ||
| 149 | R | 52 | Low | 61.8 | Low | 234 Ų | 234 | 151.2 Ų | 151.2 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -62.1 | 109.4 | 160.7 | -84.2 | -177.7 | 174.1 | 179 | -2.7 | 106.1 | N147 E151 | N147-R149 VanDerWaalsContact C-N 3.3Å; N147-R149 PolarHBondContact O-N 3.11Å; R149-E151 PolarHBondContact O-N 3.49Å | ||
| 150 | V | 51.8 | Low | 60.5 | Low | 139 Ų | 139 | 158.8 Ų | 158.8 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | -77.1 | 110.9 | 160.4 | -175.9 | 0 | 0 | 0 | 0 | 104.7 | H148 | H148-V150 PolarHBondContact O-N 2.92Å; H148-V150 VanDerWaalsContact O-N 3.11Å | ||
| 151 | E | 44 | Very low | 59.4 | Low | 254 Ų | 254 | 158.4 Ų | 158.4 | 100% | 1.187 | 79% | 0.79 | S | S | * | * | trans | -75.1 | 0 | 161.9 | -77.2 | -176.8 | 166.9 | 0 | 0 | 110 | R149 | R149-E151 PolarHBondContact O-N 3.49Š|
Retrieved 151 of 151 residues in 47.2 ms
(Link to these results)