| 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 | 48 | Very low | 75.9 | Confident | 125 Ų | 125 | 77.6 Ų | 77.6 | 62% | 0.616 | 47% | 0.471 | S | S | * | . | 0 | 128.3 | 0 | -74.6 | -177.7 | 171.8 | 0 | 0 | 106.8 | S3 | M1-S3 PolarHBondContact O-N 3.47Å; M1-S3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | A | 43.7 | Very low | 77.4 | Confident | 24 Ų | 24 | 77.8 Ų | 77.8 | 20% | 0.198 | 47% | 0.471 | C | S | . | . | trans | -52.2 | 121.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110 | V4 T90 E92 | A2-V4 VanDerWaalsContact C-N 3.34Å; A2-V4 PolarHBondContact O-N 2.91Å; A2-T90 HydrophobicContact CB-CG2 3.59Å; A2-E92 WeakPolarHBondContact CA-OE2 3.49Å; A2-E92 WeakPolarHBondContact CB-OE2 3.21Å | ||
| 3 | S | 54.6 | Low | 78.7 | Confident | 97 Ų | 97 | 84.5 Ų | 84.5 | 68% | 0.678 | 49% | 0.485 | S | S | * | . | trans | -75.5 | 92.6 | -171.5 | 58.8 | 0 | 0 | 0 | 0 | 108.4 | M1 A5 | M1-S3 PolarHBondContact O-N 3.47Å; M1-S3 VanDerWaalsContact O-N 3.09Å; S3-A5 PolarHBondContact O-N 3.37Å | ||
| 4 | V | 67.6 | Low | 79.7 | Confident | 59 Ų | 59 | 79.6 Ų | 79.6 | 36% | 0.358 | 46% | 0.457 | S | S | . | . | trans | -64.5 | 108.1 | 167.6 | -172.9 | 0 | 0 | 0 | 0 | 106.9 | A2 L6 L216 | A2-V4 VanDerWaalsContact C-N 3.34Å; A2-V4 PolarHBondContact O-N 2.91Å; V4-L6 HydrophobicContact CG1-CD1 4.43Å; V4-L6 HydrophobicContact CG1-CD2 4.4Å; V4-L6 HydrophobicContact CG1-CG 4.04Å; V4-L6 PolarHBondContact O-N 3.13Å; V4-L6 VanDerWaalsContact O-N 3.09Å; V4-L216 HydrophobicContact CG2-CB 4.04Å; V4-L216 HydrophobicContact CG2-CD1 4.31Å | ||
| 5 | A | 74.9 | Confident | 80.6 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 84% | 0.835 | 44% | 0.44 | S | S | * | . | trans | -76.5 | 95.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | S3 | S3-A5 PolarHBondContact O-N 3.37Š| ||
| 6 | L | 85.6 | Confident | 81.4 | Confident | 27 Ų | 27 | 78.2 Ų | 78.2 | 14% | 0.141 | 44% | 0.442 | C | S | . | . | trans | -92.4 | 141.4 | 174.7 | -68.8 | 148.9 | 0 | 0 | 0 | 110.7 | V4 E10 K11 Q217 A220 | V4-L6 HydrophobicContact CG1-CD1 4.43Å; V4-L6 HydrophobicContact CG1-CD2 4.4Å; V4-L6 HydrophobicContact CG1-CG 4.04Å; V4-L6 PolarHBondContact O-N 3.13Å; V4-L6 VanDerWaalsContact O-N 3.09Å; L6-E10 HydrophobicContact CD2-CB 4.26Å; L6-K11 HydrophobicContact CB-CG 4.21Å; L6-Q217 HydrophobicContact CD1-CB 4.14Å; L6-Q217 WeakPolarHBondContact CD1-O 3.47Å; L6-Q217 HydrophobicContact CD2-CB 4.23Å; L6-Q217 HydrophobicContact CD2-CG 4.05Å; L6-A220 HydrophobicContact CD1-CB 3.58Å | ||
| 7 | S | 92.8 | Very high | 82.1 | Confident | 57 Ų | 57 | 74.4 Ų | 74.4 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | trans | -67.9 | 152.9 | 168.7 | 70.2 | 0 | 0 | 0 | 0 | 110.9 | A9 E10 K11 | S7-A9 PolarHBondContact O-N 3.19Å; S7-E10 WeakPolarHBondContact CB-OE2 3.48Å; S7-E10 PolarHBondContact N-OE2 2.71Å; S7-E10 PolarHBondContact O-N 3.29Å; S7-E10 WeakPolarHBondContact OG-CG 3.35Å; S7-E10 PolarHBondContact OG-N 2.81Å; S7-E10 PolarHBondContact OG-OE2 3.3Å; S7-K11 PolarHBondContact O-N 3.07Å; S7-K11 VanDerWaalsContact O-N 3.17Å | ||
| 8 | E | 90.4 | Very high | 82.7 | Confident | 130 Ų | 130 | 70.3 Ų | 70.3 | 61% | 0.607 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.6 | -32.5 | 177.9 | -65.8 | -65.6 | 109.3 | 0 | 0 | 112 | K11 V12 | E8-K11 PolarHBondContact O-N 2.93Å; E8-K11 IonicContact OE1-NZ 3.61Å; E8-K11 PolarHBondContact OE1-NZ 3.41Å; E8-V12 WeakPolarHBondContact O-CG2 3.38Å; E8-V12 PolarHBondContact O-N 3.28Å |
| 9 | A | 93.7 | Very high | 83.2 | Confident | 76 Ų | 76 | 69.6 Ų | 69.6 | 63% | 0.628 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S7 V12 Y13 | S7-A9 PolarHBondContact O-N 3.19Å; A9-V12 PolarHBondContact O-N 2.87Å; A9-Y13 PolarHBondContact O-N 3.11Å |
| 10 | E | 92.1 | Very high | 83.6 | Confident | 95 Ų | 95 | 73.7 Ų | 73.7 | 44% | 0.444 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 175.1 | -72.3 | 162.8 | 140.4 | 0 | 0 | 111.4 | L6 S7 V12 Y13 I14 | L6-E10 HydrophobicContact CD2-CB 4.26Å; S7-E10 WeakPolarHBondContact CB-OE2 3.48Å; S7-E10 PolarHBondContact N-OE2 2.71Å; S7-E10 PolarHBondContact O-N 3.29Å; S7-E10 WeakPolarHBondContact OG-CG 3.35Å; S7-E10 PolarHBondContact OG-N 2.81Å; S7-E10 PolarHBondContact OG-OE2 3.3Å; E10-V12 PolarHBondContact O-N 3.17Å; E10-Y13 WeakPolarHBondContact O-CB 3.37Å; E10-Y13 PolarHBondContact O-N 2.98Å; E10-I14 WeakPolarHBondContact O-CG1 3.44Å; E10-I14 PolarHBondContact O-N 3.04Å |
| 11 | K | 92.1 | Very high | 83.9 | Confident | 63 Ų | 63 | 73.7 Ų | 73.7 | 27% | 0.274 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 175.4 | -62.7 | 179.7 | -173 | 164.6 | 0 | 111.5 | L6 S7 E8 Y13 I14 V15 | L6-K11 HydrophobicContact CB-CG 4.21Å; S7-K11 PolarHBondContact O-N 3.07Å; S7-K11 VanDerWaalsContact O-N 3.17Å; E8-K11 PolarHBondContact O-N 2.93Å; E8-K11 IonicContact OE1-NZ 3.61Å; E8-K11 PolarHBondContact OE1-NZ 3.41Å; K11-Y13 VanDerWaalsContact C-N 3.31Å; K11-Y13 PolarHBondContact O-N 3.06Å; K11-I14 PolarHBondContact O-N 3.29Å; K11-V15 WeakPolarHBondContact O-CB 3.2Å; K11-V15 VanDerWaalsContact O-CG2 3.23Å; K11-V15 WeakPolarHBondContact O-CG2 3.3Å; K11-V15 PolarHBondContact O-N 3.16Å |
| 12 | V | 93.9 | Very high | 86 | Confident | 79 Ų | 79 | 72.8 Ų | 72.8 | 48% | 0.479 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 176.9 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | E8 A9 E10 V15 H16 | E8-V12 WeakPolarHBondContact O-CG2 3.38Å; E8-V12 PolarHBondContact O-N 3.28Å; A9-V12 PolarHBondContact O-N 2.87Å; E10-V12 PolarHBondContact O-N 3.17Å; V12-V15 PolarHBondContact O-N 3.09Å; V12-H16 VanDerWaalsContact CG1-CD2 3.48Å; V12-H16 WeakPolarHBondContact CG1-CD2 3.37Å; V12-H16 WeakPolarHBondContact O-CB 3.37Å; V12-H16 PolarHBondContact O-CD2 3.45Å; V12-H16 PolarHBondContact O-N 3.11Å |
| 13 | Y | 93.8 | Very high | 88.2 | Confident | 165 Ų | 165 | 72.5 Ų | 72.5 | 65% | 0.647 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.2 | -48.2 | 175.9 | 179.5 | -98.3 | 0 | 0 | 0 | 112.4 | A9 E10 K11 H16 G17 V24 | A9-Y13 PolarHBondContact O-N 3.11Å; E10-Y13 WeakPolarHBondContact O-CB 3.37Å; E10-Y13 PolarHBondContact O-N 2.98Å; K11-Y13 VanDerWaalsContact C-N 3.31Å; K11-Y13 PolarHBondContact O-N 3.06Å; Y13-H16 PolarHBondContact O-N 2.75Å; Y13-G17 PolarHBondContact O-N 2.8Å; Y13-V24 HydrophobicContact CE1-CG1 4.37Å |
| 14 | I | 92.9 | Very high | 89.8 | Confident | 17 Ų | 17 | 72.1 Ų | 72.1 | 9% | 0.087 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 179.2 | -67.6 | 165.9 | 0 | 0 | 0 | 110.7 | E10 K11 G17 V18 Q217 E218 | E10-I14 WeakPolarHBondContact O-CG1 3.44Å; E10-I14 PolarHBondContact O-N 3.04Å; K11-I14 PolarHBondContact O-N 3.29Å; I14-G17 PolarHBondContact O-N 3.43Å; I14-V18 HydrophobicContact CG2-CG2 4.44Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.48Å; I14-V18 PolarHBondContact O-N 3.46Å; I14-Q217 HydrophobicContact CD1-CB 4.02Å; I14-E218 HydrophobicContact CG2-CG 3.85Å |
| 15 | V | 93.1 | Very high | 90.8 | Very high | 34 Ų | 34 | 73.1 Ų | 73.1 | 21% | 0.206 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 179.4 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | K11 V12 V18 Q19 I206 | K11-V15 WeakPolarHBondContact O-CB 3.2Å; K11-V15 VanDerWaalsContact O-CG2 3.23Å; K11-V15 WeakPolarHBondContact O-CG2 3.3Å; K11-V15 PolarHBondContact O-N 3.16Å; V12-V15 PolarHBondContact O-N 3.09Å; V15-V18 PolarHBondContact O-N 3.46Å; V15-Q19 WeakPolarHBondContact O-CG 3.31Å; V15-Q19 PolarHBondContact O-N 2.97Å; V15-Q19 VanDerWaalsContact O-N 3.09Å; V15-I206 HydrophobicContact CB-CG2 4.37Å; V15-I206 HydrophobicContact CG2-CG2 3.78Å |
| 16 | H | 94.2 | Very high | 91.4 | Very high | 102 Ų | 102 | 71.4 Ų | 71.4 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 177.9 | -77.4 | -62.4 | 0 | 0 | 0 | 112.9 | V12 Y13 V18 Q19 E20 | V12-H16 VanDerWaalsContact CG1-CD2 3.48Å; V12-H16 WeakPolarHBondContact CG1-CD2 3.37Å; V12-H16 WeakPolarHBondContact O-CB 3.37Å; V12-H16 PolarHBondContact O-CD2 3.45Å; V12-H16 PolarHBondContact O-N 3.11Å; Y13-H16 PolarHBondContact O-N 2.75Å; H16-V18 PolarHBondContact O-N 3.43Å; H16-Q19 PolarHBondContact ND1-OE1 2.96Å; H16-Q19 WeakPolarHBondContact O-CB 2.9Å; H16-Q19 PolarHBondContact O-N 3.36Å; H16-Q19 VanDerWaalsContact O-N 3.16Å; H16-E20 PolarHBondContact O-N 3.42Å |
| 17 | G | 93.3 | Very high | 91.6 | Very high | 14 Ų | 14 | 73 Ų | 73 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y13 I14 Q19 E20 D21 L22 | Y13-G17 PolarHBondContact O-N 2.8Å; I14-G17 PolarHBondContact O-N 3.43Å; G17-Q19 PolarHBondContact O-N 2.88Å; G17-E20 CarbonylContact O-C 3.56Å; G17-E20 WeakPolarHBondContact O-CA 3.48Å; G17-E20 PolarHBondContact O-N 3.16Å; G17-D21 PolarHBondContact O-N 2.82Å; G17-D21 VanDerWaalsContact O-N 3.11Å; G17-L22 CarbonylContact C-O 3.38Å; G17-L22 VanDerWaalsContact CA-O 3.3Å; G17-L22 WeakPolarHBondContact CA-O 3.28Å; G17-L22 PolarHBondContact O-N 2.91Å |
| 18 | V | 92.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.6 | -33.8 | 177.5 | 170 | 0 | 0 | 0 | 0 | 112 | I14 V15 H16 E20 D21 L22 I206 R209 V211 | I14-V18 HydrophobicContact CG2-CG2 4.44Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.48Å; I14-V18 PolarHBondContact O-N 3.46Å; V15-V18 PolarHBondContact O-N 3.46Å; H16-V18 PolarHBondContact O-N 3.43Å; V18-E20 VanDerWaalsContact C-N 3.3Å; V18-D21 PolarHBondContact O-N 2.95Å; V18-L22 PolarHBondContact N-O 3.33Å; V18-I206 HydrophobicContact CB-CG2 4.33Å; V18-I206 HydrophobicContact CG1-CB 4.24Å; V18-I206 HydrophobicContact CG1-CG2 4.37Å; V18-I206 HydrophobicContact CG2-CD1 4.42Å; V18-I206 HydrophobicContact CG2-CG2 4.33Å; V18-R209 HydrophobicContact CG1-CB 3.97Å; V18-R209 HydrophobicContact CG1-CG 4.41Å; V18-V211 HydrophobicContact CB-CG2 4.46Å; V18-V211 HydrophobicContact CG1-CG2 3.45Å; V18-V211 VanDerWaalsContact CG1-CG2 3.45Å; V18-V211 HydrophobicContact CG2-CG2 4.1Å |
| 19 | Q | 91.4 | Very high | 91.5 | Very high | 57 Ų | 57 | 65 Ų | 65 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.7 | -32.6 | 174.1 | -69.6 | 178.3 | 1.1 | 0 | 0 | 112.6 | V15 H16 G17 D21 Y208 | V15-Q19 WeakPolarHBondContact O-CG 3.31Å; V15-Q19 PolarHBondContact O-N 2.97Å; V15-Q19 VanDerWaalsContact O-N 3.09Å; H16-Q19 PolarHBondContact ND1-OE1 2.96Å; H16-Q19 WeakPolarHBondContact O-CB 2.9Å; H16-Q19 PolarHBondContact O-N 3.36Å; H16-Q19 VanDerWaalsContact O-N 3.16Å; G17-Q19 PolarHBondContact O-N 2.88Å; Q19-D21 VanDerWaalsContact C-N 3.27Å; Q19-Y208 HydrophobicContact CB-CE1 3.7Å; Q19-Y208 WeakPolarHBondContact CB-OH 3.3Å; Q19-Y208 HydrophobicContact CG-CD1 3.77Å; Q19-Y208 HydrophobicContact CG-CE1 3.19Å; Q19-Y208 PolarHBondContact O-OH 3.42Å; Q19-Y208 VanDerWaalsContact O-OH 3.04Å |
| 20 | E | 91.6 | Very high | 91.3 | Very high | 150 Ų | 150 | 65.8 Ų | 65.8 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 9.4 | 173.7 | -63.4 | -163.8 | 107.3 | 0 | 0 | 113.2 | H16 G17 V18 L22 | H16-E20 PolarHBondContact O-N 3.42Å; G17-E20 CarbonylContact O-C 3.56Å; G17-E20 WeakPolarHBondContact O-CA 3.48Å; G17-E20 PolarHBondContact O-N 3.16Å; V18-E20 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 2.68Å |
| 21 | D | 89.9 | Confident | 91.2 | Very high | 74 Ų | 74 | 65.6 Ų | 65.6 | 40% | 0.396 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 30.7 | -177.2 | -156.5 | 21.8 | 0 | 0 | 0 | 113.8 | G17 V18 Q19 C29 | G17-D21 PolarHBondContact O-N 2.82Å; G17-D21 VanDerWaalsContact O-N 3.11Å; V18-D21 PolarHBondContact O-N 2.95Å; Q19-D21 VanDerWaalsContact C-N 3.27Å; D21-C29 WeakPolarHBondContact OD1-CB 3.5Å; D21-C29 PolarHBondContact OD1-N 3.38Å; D21-C29 PolarHBondContact OD1-SG 3.44Å |
| 22 | L | 90.7 | Very high | 91.1 | Very high | 107 Ų | 107 | 65.2 Ų | 65.2 | 56% | 0.56 | 34% | 0.343 | S | S | * | . | trans | -121.3 | 124.3 | 178.8 | -67.3 | 173.7 | 0 | 0 | 0 | 110.8 | G17 V18 E20 | G17-L22 CarbonylContact C-O 3.38Å; G17-L22 VanDerWaalsContact CA-O 3.3Å; G17-L22 WeakPolarHBondContact CA-O 3.28Å; G17-L22 PolarHBondContact O-N 2.91Å; V18-L22 PolarHBondContact N-O 3.33Å; E20-L22 PolarHBondContact O-N 2.68Å | ||
| 23 | R | 91.2 | Very high | 91 | Very high | 17 Ų | 17 | 62.5 Ų | 62.5 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | trans | -104.4 | 164.8 | 174 | -63.8 | 172.6 | 67.9 | -174 | 3.2 | 111.3 | D25 G26 R27 G28 D31 V212 D213 E218 | R23-D25 PolarHBondContact O-N 2.93Å; R23-D25 VanDerWaalsContact O-N 3.13Å; R23-G26 PolarHBondContact O-N 3.47Å; R23-R27 WeakPolarHBondContact CB-O 3.46Å; R23-R27 WeakPolarHBondContact CG-O 3.33Å; R23-R27 PolarHBondContact N-O 2.96Å; R23-G28 VanDerWaalsContact CD-O 3.3Å; R23-G28 WeakPolarHBondContact CD-O 3.46Å; R23-D31 PolarHBondContact NH1-O 3.32Å; R23-V212 PolarHBondContact NH1-O 3.35Å; R23-D213 PolarHBondContact NH2-O 3.16Å; R23-E218 IonicContact CZ-OE1 3.35Å; R23-E218 IonicContact CZ-OE2 3.59Å; R23-E218 IonicContact NE-OE1 3.64Å; R23-E218 PolarHBondContact NE-OE1 3.47Å; R23-E218 IonicContact NE-OE2 2.8Å; R23-E218 IonicContact NH2-OE1 2.67Å; R23-E218 PolarHBondContact NH2-OE1 3.29Å; R23-E218 IonicContact NH2-OE2 4Å; R23-E218 PolarHBondContact NH2-OE2 3.01Å | ||
| 24 | V | 88.8 | Confident | 90.7 | Very high | 90 Ų | 90 | 59.8 Ų | 59.8 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -31.2 | 176.7 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | Y13 G26 | Y13-V24 HydrophobicContact CE1-CG1 4.37Å; V24-G26 VanDerWaalsContact C-N 3.35Å |
| 25 | D | 87.4 | Confident | 90.5 | Very high | 80 Ų | 80 | 61.6 Ų | 61.6 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 1 | 179.6 | -62.5 | -23.3 | 0 | 0 | 0 | 113.4 | R23 R27 | R23-D25 PolarHBondContact O-N 2.93Å; R23-D25 VanDerWaalsContact O-N 3.13Å; D25-R27 VanDerWaalsContact C-N 3.31Å; D25-R27 HydrophobicContact CB-CG 4.28Å; D25-R27 PolarHBondContact O-N 3.27Å; D25-R27 IonicContact OD2-CZ 3.29Å; D25-R27 VanDerWaalsContact OD2-CZ 3.29Å; D25-R27 IonicContact OD2-NH1 3.45Å; D25-R27 PolarHBondContact OD2-NH1 3.48Å; D25-R27 IonicContact OD2-NH2 2.75Å; D25-R27 PolarHBondContact OD2-NH2 3.37Å |
| 26 | G | 87.4 | Confident | 90.4 | Very high | 65 Ų | 65 | 65.5 Ų | 65.5 | 67% | 0.67 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 74.9 | 13.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R23 V24 | R23-G26 PolarHBondContact O-N 3.47Å; V24-G26 VanDerWaalsContact C-N 3.35Å |
| 27 | R | 90.2 | Very high | 90.2 | Very high | 61 Ų | 61 | 61.6 Ų | 61.6 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | trans | -92.3 | 157.3 | 177.3 | -57 | -170.7 | -141.7 | 118.2 | 13.1 | 111.7 | R23 D25 D31 | R23-R27 WeakPolarHBondContact CB-O 3.46Å; R23-R27 WeakPolarHBondContact CG-O 3.33Å; R23-R27 PolarHBondContact N-O 2.96Å; D25-R27 VanDerWaalsContact C-N 3.31Å; D25-R27 HydrophobicContact CB-CG 4.28Å; D25-R27 PolarHBondContact O-N 3.27Å; D25-R27 IonicContact OD2-CZ 3.29Å; D25-R27 VanDerWaalsContact OD2-CZ 3.29Å; D25-R27 IonicContact OD2-NH1 3.45Å; D25-R27 PolarHBondContact OD2-NH1 3.48Å; D25-R27 IonicContact OD2-NH2 2.75Å; D25-R27 PolarHBondContact OD2-NH2 3.37Å; R27-D31 HydrophobicContact CB-CB 4.13Å | ||
| 28 | G | 91.1 | Very high | 90 | Very high | 14 Ų | 14 | 63.3 Ų | 63.3 | 14% | 0.144 | 34% | 0.344 | C | S | . | . | trans | -77.7 | 178.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R23 E30 D31 | R23-G28 VanDerWaalsContact CD-O 3.3Å; R23-G28 WeakPolarHBondContact CD-O 3.46Å; G28-E30 VanDerWaalsContact C-N 3.3Å; G28-E30 PolarHBondContact O-N 3.01Å; G28-D31 PolarHBondContact N-OD2 3.28Å | ||
| 29 | C | 89.5 | Confident | 89.9 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.034 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21 | -179.5 | -65.8 | 0 | 0 | 0 | 0 | 114.6 | D21 R209 V211 V212 | D21-C29 WeakPolarHBondContact OD1-CB 3.5Å; D21-C29 PolarHBondContact OD1-N 3.38Å; D21-C29 PolarHBondContact OD1-SG 3.44Å; C29-R209 HydrophobicContact CB-CG 4.5Å; C29-V211 HydrophobicContact CB-CG2 4.28Å; C29-V211 WeakPolarHBondContact O-CA 3.23Å; C29-V212 PolarHBondContact O-N 3.17Å |
| 30 | E | 90.3 | Very high | 89.7 | Confident | 92 Ų | 92 | 64.2 Ų | 64.2 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 5.2 | -176.3 | -64.6 | -175.3 | 86.3 | 0 | 0 | 113.6 | G28 V212 T258 R261 | G28-E30 VanDerWaalsContact C-N 3.3Å; G28-E30 PolarHBondContact O-N 3.01Å; E30-V212 WeakPolarHBondContact O-CG2 3.33Å; E30-T258 HydrophobicContact CG-CG2 4.18Å; E30-T258 WeakPolarHBondContact OE1-CG2 3.2Å; E30-R261 IonicContact OE1-CZ 2.8Å; E30-R261 IonicContact OE1-NH1 3.69Å; E30-R261 PolarHBondContact OE1-NH1 3.25Å |
| 31 | D | 89.9 | Confident | 89.5 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 136.8 | -175.9 | -73.4 | -64 | 0 | 0 | 0 | 113.3 | R23 R27 G28 | R23-D31 PolarHBondContact NH1-O 3.32Å; R27-D31 HydrophobicContact CB-CB 4.13Å; G28-D31 PolarHBondContact N-OD2 3.28Å |
| 32 | Y | 89.9 | Confident | 89.4 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 22% | 0.216 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -90 | 154.6 | 171.9 | -86.5 | -105.6 | 0 | 0 | 0 | 111.8 | N147 D150 V212 D213 V262 L266 | Y32-N147 WeakPolarHBondContact CE1-ND2 3.35Å; Y32-D150 WeakPolarHBondContact CE1-OD2 2.99Å; Y32-D150 PolarHBondContact OH-OD2 3.09Å; Y32-V212 HydrophobicContact CD2-CG2 3.77Å; Y32-V212 HydrophobicContact CE2-CB 3.76Å; Y32-V212 HydrophobicContact CE2-CG2 3.49Å; Y32-V212 VanDerWaalsContact CE2-CG2 3.49Å; Y32-D213 HydrophobicContact CD1-CB 3.85Å; Y32-D213 HydrophobicContact CE1-CB 3.89Å; Y32-D213 HydrophobicContact CE2-CB 4.48Å; Y32-D213 HydrophobicContact CG-CB 4.19Å; Y32-V262 HydrophobicContact CD2-CG1 4.12Å; Y32-V262 HydrophobicContact CE2-CG1 3.32Å; Y32-L266 HydrophobicContact CE1-CD1 4.2Å |
| 33 | R | 90.6 | Very high | 89.2 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 9% | 0.087 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 163.8 | 163.9 | -0.1 | -164.3 | 177.2 | 151.3 | 18.6 | 110 | V35 L53 G145 D213 | R33-V35 PolarHBondContact O-N 3.21Å; R33-L53 HydrophobicContact CG-CD2 3.91Å; R33-G145 PolarHBondContact NH1-O 3.06Å; R33-G145 PolarHBondContact NH2-O 3.48Å; R33-D213 WeakPolarHBondContact CD-OD2 3.25Å; R33-D213 WeakPolarHBondContact CG-OD2 3.48Å; R33-D213 IonicContact CZ-OD2 3.96Å; R33-D213 IonicContact NE-OD1 2.7Å; R33-D213 IonicContact NE-OD2 2.71Å; R33-D213 PolarHBondContact NE-OD2 3.19Å; R33-D213 IonicContact NH2-OD1 2.58Å; R33-D213 IonicContact NH2-OD2 3.27Å |
| 34 | C | 87.6 | Confident | 89.1 | Confident | 107 Ų | 107 | 63.9 Ų | 63.9 | 72% | 0.723 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 127.5 | 172.6 | -166.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 35 | V | 89.3 | Confident | 89.1 | Confident | 55 Ų | 55 | 61.4 Ų | 61.4 | 33% | 0.333 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.7 | 175.3 | 61.2 | 0 | 0 | 0 | 0 | 108.4 | R33 V37 V51 I154 | R33-V35 PolarHBondContact O-N 3.21Å; V35-V37 HydrophobicContact CG2-CG2 3.95Å; V35-V51 HydrophobicContact CG2-CG1 3.61Å; V35-I154 HydrophobicContact CG2-CD1 4.34Å |
| 36 | E | 90.3 | Very high | 89.2 | Confident | 116 Ų | 116 | 59 Ų | 59 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 119 | 172.8 | -57.4 | -178.5 | 110.4 | 0 | 0 | 107.2 | V51 K52 | E36-V51 WeakPolarHBondContact O-CA 3.4Å; E36-K52 HydrophobicContact CB-CB 4.3Å; E36-K52 PolarHBondContact N-O 2.71Å; E36-K52 PolarHBondContact O-N 3.35Å |
| 37 | V | 90.7 | Very high | 89.4 | Confident | 20 Ų | 20 | 56 Ų | 56 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.9 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 107.2 | V35 V51 I154 A158 L270 | V35-V37 HydrophobicContact CG2-CG2 3.95Å; V37-V51 HydrophobicContact CG1-CG2 4.24Å; V37-V51 HydrophobicContact CG2-CG2 4.22Å; V37-I154 HydrophobicContact CG2-CG2 3.92Å; V37-A158 HydrophobicContact CG1-CB 3.89Å; V37-L270 HydrophobicContact CG1-CD1 4.26Å; V37-L270 HydrophobicContact CG2-CD1 4.08Å |
| 38 | E | 90.2 | Very high | 89.6 | Confident | 51 Ų | 51 | 53 Ų | 53 | 24% | 0.238 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.9 | 173.5 | -61.2 | -170.4 | 143.6 | 0 | 0 | 108.5 | V41 A49 R50 G288 | E38-V41 HydrophobicContact CB-CG2 4.12Å; E38-A49 CarbonylContact O-C 3.4Å; E38-A49 VanDerWaalsContact O-CA 3.28Å; E38-A49 WeakPolarHBondContact O-CA 3.41Å; E38-R50 PolarHBondContact N-O 2.83Å; E38-R50 PolarHBondContact O-N 3.13Å; E38-G288 WeakPolarHBondContact OE2-CA 3.14Å |
| 39 | T | 89.4 | Confident | 89.7 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 13% | 0.129 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 160.4 | 174.1 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | V41 A158 L274 E277 | T39-V41 PolarHBondContact O-N 3.12Å; T39-A158 HydrophobicContact CG2-CB 4.31Å; T39-L274 HydrophobicContact CG2-CD2 3.52Å; T39-E277 WeakPolarHBondContact CB-OE1 3.4Å; T39-E277 PolarHBondContact N-OE1 2.9Å; T39-E277 PolarHBondContact OG1-OE1 2.71Å; T39-E277 PolarHBondContact OG1-OE2 2.86Å |
| 40 | D | 87.6 | Confident | 89.9 | Confident | 56 Ų | 56 | 54 Ų | 54 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | trans | 62.2 | 42 | 171.6 | -157.5 | 18.2 | 0 | 0 | 0 | 114.3 | S48 N162 K286 | D40-S48 WeakPolarHBondContact CA-OG 3.43Å; D40-S48 PolarHBondContact N-O 2.66Å; D40-N162 WeakPolarHBondContact CA-ND2 3.4Å; D40-N162 VanDerWaalsContact CB-ND2 3.33Å; D40-N162 WeakPolarHBondContact CB-ND2 3.3Å; D40-N162 PolarHBondContact N-ND2 3.18Å; D40-K286 PolarHBondContact O-NZ 2.98Å; D40-K286 IonicContact OD1-NZ 3.57Å; D40-K286 VanDerWaalsContact OD2-CE 3.23Å; D40-K286 WeakPolarHBondContact OD2-CE 3.35Å; D40-K286 IonicContact OD2-NZ 3.84Å; D40-K286 PolarHBondContact OD2-NZ 2.61Å | ||
| 41 | V | 87.1 | Confident | 90 | Very high | 28 Ų | 28 | 49.6 Ų | 49.6 | 17% | 0.17 | 28% | 0.277 | C | S | . | . | trans | -76.3 | -40.6 | -179.3 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | E38 T39 S48 R50 L59 F289 | E38-V41 HydrophobicContact CB-CG2 4.12Å; T39-V41 PolarHBondContact O-N 3.12Å; V41-S48 PolarHBondContact N-OG 3.46Å; V41-R50 HydrophobicContact CG2-CB 3.77Å; V41-L59 HydrophobicContact CB-CD1 4.26Å; V41-L59 HydrophobicContact CG1-CD1 4.08Å; V41-F289 HydrophobicContact CG1-CD2 4.17Å; V41-F289 HydrophobicContact CG1-CE2 3.58Å; V41-F289 HydrophobicContact CG1-CZ 4.39Å | ||
| 42 | V | 88.6 | Confident | 90.1 | Very high | 47 Ų | 47 | 49 Ų | 49 | 29% | 0.285 | 27% | 0.27 | S | S | . | . | trans | -108.4 | 123 | -178.5 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | T45 S48 L59 | V42-T45 HydrophobicContact CG1-CG2 4.17Å; V42-T45 PolarHBondContact O-OG1 3.29Å; V42-S48 PolarHBondContact N-OG 3.49Å; V42-S48 PolarHBondContact O-OG 3.05Å; V42-S48 VanDerWaalsContact O-OG 3.08Å; V42-L59 HydrophobicContact CG2-CD1 4.28Å; V42-L59 HydrophobicContact CG2-CD2 4.19Å | ||
| 43 | S | 85.6 | Confident | 90.1 | Very high | 102 Ų | 102 | 46.5 Ų | 46.5 | 71% | 0.713 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -23.3 | -174.2 | -29.1 | 0 | 0 | 0 | 0 | 114.6 | T45 | S43-T45 VanDerWaalsContact C-N 3.33Š|
| 44 | N | 88.9 | Confident | 90 | Very high | 163 Ų | 163 | 46.8 Ų | 46.8 | 87% | 0.872 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -12.9 | -174.5 | -76.3 | -2 | 0 | 0 | 0 | 113.2 | ||
| 45 | T | 89.8 | Confident | 90 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 24% | 0.239 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -98.2 | 153.2 | -177.7 | 55.8 | 0 | 0 | 0 | 0 | 110.5 | V42 S43 G47 | V42-T45 HydrophobicContact CG1-CG2 4.17Å; V42-T45 PolarHBondContact O-OG1 3.29Å; S43-T45 VanDerWaalsContact C-N 3.33Å; T45-G47 WeakPolarHBondContact CB-O 3.04Å; T45-G47 PolarHBondContact O-N 3.29Å; T45-G47 PolarHBondContact OG1-O 3.26Å |
| 46 | S | 90 | Very high | 90.1 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 20% | 0.203 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -66.3 | -24.4 | 177.8 | -50.5 | 0 | 0 | 0 | 0 | 112.6 | V62 A64 T163 S164 | S46-V62 WeakPolarHBondContact CB-O 3.48Å; S46-V62 PolarHBondContact N-O 3.42Å; S46-A64 PolarHBondContact OG-N 2.93Å; S46-T163 WeakPolarHBondContact O-CA 3.48Å; S46-S164 PolarHBondContact O-N 3.25Å; S46-S164 PolarHBondContact O-OG 3.28Å |
| 47 | G | 91.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 153.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110 | T45 V62 | T45-G47 WeakPolarHBondContact CB-O 3.04Å; T45-G47 PolarHBondContact O-N 3.29Å; T45-G47 PolarHBondContact OG1-O 3.26Å; G47-V62 PolarHBondContact N-O 2.86Å; G47-V62 PolarHBondContact O-N 3.24Å |
| 48 | S | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 152.6 | 172.4 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | D40 V41 V42 V60 N162 | D40-S48 WeakPolarHBondContact CA-OG 3.43Å; D40-S48 PolarHBondContact N-O 2.66Å; V41-S48 PolarHBondContact N-OG 3.46Å; V42-S48 PolarHBondContact N-OG 3.49Å; V42-S48 PolarHBondContact O-OG 3.05Å; V42-S48 VanDerWaalsContact O-OG 3.08Å; S48-V60 CarbonylContact C-O 3.6Å; S48-V60 VanDerWaalsContact CA-O 3.26Å; S48-V60 WeakPolarHBondContact CA-O 3.43Å; S48-N162 PolarHBondContact O-ND2 2.86Å |
| 49 | A | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 148.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E38 V60 A158 A159 | E38-A49 CarbonylContact O-C 3.4Å; E38-A49 VanDerWaalsContact O-CA 3.28Å; E38-A49 WeakPolarHBondContact O-CA 3.41Å; A49-V60 PolarHBondContact N-O 2.88Å; A49-V60 PolarHBondContact O-N 2.8Å; A49-A158 HydrophobicContact CB-CB 3.68Å; A49-A159 HydrophobicContact CB-CB 3.88Å |
| 50 | R | 93.6 | Very high | 90.9 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.2 | 169 | -176.8 | -178 | -179.6 | -163.5 | -0.7 | 108.6 | E38 V41 D57 I58 L59 G288 F289 | E38-R50 PolarHBondContact N-O 2.83Å; E38-R50 PolarHBondContact O-N 3.13Å; V41-R50 HydrophobicContact CG2-CB 3.77Å; R50-D57 WeakPolarHBondContact CG-OD1 3.47Å; R50-D57 IonicContact CZ-OD1 3.99Å; R50-D57 IonicContact CZ-OD2 3.53Å; R50-D57 IonicContact NE-OD1 3.43Å; R50-D57 PolarHBondContact NE-OD1 3.37Å; R50-D57 IonicContact NE-OD2 3.53Å; R50-D57 PolarHBondContact NE-OD2 2.83Å; R50-D57 IonicContact NH2-OD1 2.63Å; R50-D57 IonicContact NH2-OD2 3.53Å; R50-D57 PolarHBondContact NH2-OD2 3.24Å; R50-I58 CarbonylContact C-O 3.59Å; R50-I58 VanDerWaalsContact CA-O 3.3Å; R50-I58 WeakPolarHBondContact CA-O 3.36Å; R50-L59 HydrophobicContact CB-CD1 4.05Å; R50-G288 PolarHBondContact NH1-O 2.94Å; R50-F289 VanDerWaalsContact CZ-CD1 3.47Å |
| 51 | V | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.3 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | V35 E36 V37 I58 A151 I154 A155 | V35-V51 HydrophobicContact CG2-CG1 3.61Å; E36-V51 WeakPolarHBondContact O-CA 3.4Å; V37-V51 HydrophobicContact CG1-CG2 4.24Å; V37-V51 HydrophobicContact CG2-CG2 4.22Å; V51-I58 PolarHBondContact N-O 2.81Å; V51-I58 PolarHBondContact O-N 2.89Å; V51-A151 HydrophobicContact CG1-CB 4.48Å; V51-I154 HydrophobicContact CG1-CG2 4.26Å; V51-I154 HydrophobicContact CG2-CB 4.43Å; V51-I154 HydrophobicContact CG2-CG2 3.91Å; V51-A155 HydrophobicContact CB-CB 4.05Å; V51-A155 HydrophobicContact CG2-CB 3.53Å |
| 52 | K | 92.1 | Very high | 91.7 | Very high | 78 Ų | 78 | 34 Ų | 34 | 34% | 0.339 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 110.8 | 172.3 | -171.6 | 177.4 | -178.5 | -177.2 | 0 | 109.4 | E36 T56 | E36-K52 HydrophobicContact CB-CB 4.3Å; E36-K52 PolarHBondContact N-O 2.71Å; E36-K52 PolarHBondContact O-N 3.35Å; K52-T56 CarbonylContact C-O 2.9Å; K52-T56 WeakPolarHBondContact CA-O 3.23Å |
| 53 | L | 90.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 92.6 | 176.5 | -167.2 | 158.1 | 0 | 0 | 0 | 107.9 | R33 H55 T56 A151 D213 | R33-L53 HydrophobicContact CG-CD2 3.91Å; L53-H55 PolarHBondContact O-N 2.85Å; L53-T56 PolarHBondContact N-O 3.47Å; L53-T56 PolarHBondContact O-N 2.9Å; L53-A151 HydrophobicContact CB-CB 4.32Å; L53-A151 HydrophobicContact CD1-CB 4.35Å; L53-D213 VanDerWaalsContact CD2-OD1 3.3Å; L53-D213 WeakPolarHBondContact CD2-OD1 3.47Å |
| 54 | G | 87.9 | Confident | 92.2 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 30% | 0.299 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | -103.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 55 | H | 88.2 | Confident | 92.3 | Very high | 138 Ų | 138 | 27.9 Ų | 27.9 | 64% | 0.639 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 19.5 | 179.2 | -61.5 | -67.2 | 0 | 0 | 0 | 112.9 | L53 E143 G145 | L53-H55 PolarHBondContact O-N 2.85Å; H55-E143 WeakPolarHBondContact O-CB 3.43Å; H55-G145 WeakPolarHBondContact O-CA 3.39Å; H55-G145 PolarHBondContact O-N 2.78Å |
| 56 | T | 90.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 114.9 | 173.2 | -59.8 | 0 | 0 | 0 | 0 | 107.4 | K52 L53 I58 G145 G146 L148 A151 | K52-T56 CarbonylContact C-O 2.9Å; K52-T56 WeakPolarHBondContact CA-O 3.23Å; L53-T56 PolarHBondContact N-O 3.47Å; L53-T56 PolarHBondContact O-N 2.9Å; T56-I58 HydrophobicContact CG2-CD1 3.92Å; T56-I58 HydrophobicContact CG2-CG1 3.99Å; T56-G145 VanDerWaalsContact OG1-CA 3.23Å; T56-G145 WeakPolarHBondContact OG1-CA 3.44Å; T56-G145 PolarHBondContact OG1-N 3.4Å; T56-G146 PolarHBondContact OG1-O 3.24Å; T56-L148 HydrophobicContact CG2-CD1 4.22Å; T56-A151 HydrophobicContact CG2-CB 4.16Å |
| 57 | D | 92.8 | Very high | 92.2 | Very high | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.2 | -179.4 | -173.5 | 21.8 | 0 | 0 | 0 | 109.5 | R50 L142 E143 | R50-D57 WeakPolarHBondContact CG-OD1 3.47Å; R50-D57 IonicContact CZ-OD1 3.99Å; R50-D57 IonicContact CZ-OD2 3.53Å; R50-D57 IonicContact NE-OD1 3.43Å; R50-D57 PolarHBondContact NE-OD1 3.37Å; R50-D57 IonicContact NE-OD2 3.53Å; R50-D57 PolarHBondContact NE-OD2 2.83Å; R50-D57 IonicContact NH2-OD1 2.63Å; R50-D57 IonicContact NH2-OD2 3.53Å; R50-D57 PolarHBondContact NH2-OD2 3.24Å; D57-L142 HydrophobicContact CB-CB 4.17Å; D57-L142 WeakPolarHBondContact O-CB 3.49Å; D57-L142 PolarHBondContact O-N 3.2Å; D57-L142 WeakPolarHBondContact OD2-CD1 3.47Å; D57-E143 HydrophobicContact CB-CB 4.11Å; D57-E143 HydrophobicContact CB-CG 4.23Å; D57-E143 PolarHBondContact N-O 2.69Å; D57-E143 PolarHBondContact O-N 2.63Å; D57-E143 VanDerWaalsContact O-N 3.15Å |
| 58 | I | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 131.6 | -171 | -52.9 | -174.3 | 0 | 0 | 0 | 108.5 | R50 V51 T56 V60 V139 L141 L148 A151 I152 A155 | R50-I58 CarbonylContact C-O 3.59Å; R50-I58 VanDerWaalsContact CA-O 3.3Å; R50-I58 WeakPolarHBondContact CA-O 3.36Å; V51-I58 PolarHBondContact N-O 2.81Å; V51-I58 PolarHBondContact O-N 2.89Å; T56-I58 HydrophobicContact CG2-CD1 3.92Å; T56-I58 HydrophobicContact CG2-CG1 3.99Å; I58-V60 HydrophobicContact CG2-CG2 4.11Å; I58-V139 HydrophobicContact CG2-CG1 3.81Å; I58-L141 HydrophobicContact CB-CD2 4.49Å; I58-L141 HydrophobicContact CD1-CD2 3.9Å; I58-L141 HydrophobicContact CG1-CD2 3.92Å; I58-L141 HydrophobicContact CG2-CD2 3.99Å; I58-L148 HydrophobicContact CD1-CD1 3.8Å; I58-A151 HydrophobicContact CD1-CB 3.49Å; I58-A151 VanDerWaalsContact CD1-CB 3.49Å; I58-A151 HydrophobicContact CG1-CB 4.42Å; I58-I152 HydrophobicContact CD1-CB 4.46Å; I58-I152 HydrophobicContact CD1-CG1 3.49Å; I58-I152 VanDerWaalsContact CD1-CG1 3.49Å; I58-I152 HydrophobicContact CG2-CG1 4.39Å; I58-A155 HydrophobicContact CG2-CB 4.34Å |
| 59 | L | 94.7 | Very high | 91.9 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.2 | 172.8 | -176.2 | 68 | 0 | 0 | 0 | 108.9 | V41 V42 R50 L140 L142 F289 | V41-L59 HydrophobicContact CB-CD1 4.26Å; V41-L59 HydrophobicContact CG1-CD1 4.08Å; V42-L59 HydrophobicContact CG2-CD1 4.28Å; V42-L59 HydrophobicContact CG2-CD2 4.19Å; R50-L59 HydrophobicContact CB-CD1 4.05Å; L59-L140 HydrophobicContact CB-CB 4.37Å; L59-L140 HydrophobicContact CD2-CD2 4.37Å; L59-L140 PolarHBondContact N-O 2.9Å; L59-L140 PolarHBondContact O-N 2.87Å; L59-L142 HydrophobicContact CB-CD1 4.39Å; L59-F289 HydrophobicContact CD1-CZ 4.47Å; L59-F289 HydrophobicContact CD2-CZ 4.4Å |
| 60 | V | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.8 | 175.9 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | S48 A49 I58 V137 D138 V139 A155 V156 A159 | S48-V60 CarbonylContact C-O 3.6Å; S48-V60 VanDerWaalsContact CA-O 3.26Å; S48-V60 WeakPolarHBondContact CA-O 3.43Å; A49-V60 PolarHBondContact N-O 2.88Å; A49-V60 PolarHBondContact O-N 2.8Å; I58-V60 HydrophobicContact CG2-CG2 4.11Å; V60-V137 HydrophobicContact CG1-CG1 3.79Å; V60-D138 WeakPolarHBondContact CA-O 3.41Å; V60-V139 HydrophobicContact CG2-CB 4.36Å; V60-V139 HydrophobicContact CG2-CG1 4.13Å; V60-V139 HydrophobicContact CG2-CG2 4.05Å; V60-A155 HydrophobicContact CB-CB 4.25Å; V60-A155 HydrophobicContact CG2-CB 3.43Å; V60-A155 VanDerWaalsContact CG2-CB 3.43Å; V60-V156 HydrophobicContact CG1-CG2 4.3Å; V60-V156 HydrophobicContact CG2-CG2 4.42Å; V60-A159 HydrophobicContact CB-CB 4.16Å; V60-A159 HydrophobicContact CG1-CB 3.76Å |
| 61 | G | 95.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 12% | 0.124 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V137 D138 | G61-V137 WeakPolarHBondContact O-CA 3.05Å; G61-D138 PolarHBondContact N-O 2.94Å; G61-D138 PolarHBondContact O-N 3.18Å |
| 62 | V | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.4 | 171.8 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | S46 G47 L135 Y136 V137 A159 T163 | S46-V62 WeakPolarHBondContact CB-O 3.48Å; S46-V62 PolarHBondContact N-O 3.42Å; G47-V62 PolarHBondContact N-O 2.86Å; G47-V62 PolarHBondContact O-N 3.24Å; V62-L135 HydrophobicContact CG1-CB 4.47Å; V62-Y136 CarbonylContact C-O 3.52Å; V62-Y136 WeakPolarHBondContact CA-O 3.37Å; V62-V137 HydrophobicContact CG1-CG2 4.44Å; V62-V137 HydrophobicContact CG2-CG1 4.36Å; V62-V137 HydrophobicContact CG2-CG2 4.18Å; V62-A159 HydrophobicContact CG2-CB 3.72Å; V62-T163 HydrophobicContact CG1-CG2 3.99Å |
| 63 | K | 94.1 | Very high | 90.7 | Very high | 95 Ų | 95 | 54 Ų | 54 | 41% | 0.413 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.1 | 176 | -167.3 | -176.9 | -174.9 | -164.5 | 0 | 109.5 | E65 Y136 | K63-E65 HydrophobicContact CD-CG 4.2Å; K63-E65 WeakPolarHBondContact CD-OE1 3.47Å; K63-E65 WeakPolarHBondContact CE-OE1 3.44Å; K63-E65 HydrophobicContact CG-CG 4.21Å; K63-E65 IonicContact NZ-OE1 2.71Å; K63-E65 PolarHBondContact NZ-OE1 3.16Å; K63-Y136 PolarHBondContact N-O 2.82Å; K63-Y136 PolarHBondContact O-N 3.11Å |
| 64 | A | 91.9 | Very high | 90.5 | Very high | 14 Ų | 14 | 55 Ų | 55 | 12% | 0.116 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | S46 W133 L135 I165 | S46-A64 PolarHBondContact OG-N 2.93Å; A64-W133 HydrophobicContact CB-CE3 3.92Å; A64-W133 HydrophobicContact CB-CZ3 4.05Å; A64-L135 HydrophobicContact CB-CD2 3.62Å; A64-I165 HydrophobicContact CB-CG1 4.09Å; A64-I165 HydrophobicContact CB-CG2 4.19Å |
| 65 | E | 91.1 | Very high | 90.4 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 35% | 0.346 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151.2 | 174.7 | -62 | -168.2 | 164.5 | 0 | 0 | 110.5 | K63 V134 Y136 | K63-E65 HydrophobicContact CD-CG 4.2Å; K63-E65 WeakPolarHBondContact CD-OE1 3.47Å; K63-E65 WeakPolarHBondContact CE-OE1 3.44Å; K63-E65 HydrophobicContact CG-CG 4.21Å; K63-E65 IonicContact NZ-OE1 2.71Å; K63-E65 PolarHBondContact NZ-OE1 3.16Å; E65-V134 PolarHBondContact N-O 3.48Å; E65-V134 PolarHBondContact O-N 3.05Å; E65-Y136 HydrophobicContact CB-CD2 4.24Å; E65-Y136 HydrophobicContact CB-CE2 4Å; E65-Y136 HydrophobicContact CG-CD2 4.02Å; E65-Y136 HydrophobicContact CG-CE2 4.12Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.42Å |
| 66 | M | 89.6 | Confident | 90.4 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 123.1 | 172.5 | -67 | -175.1 | -120.1 | 0 | 0 | 109.1 | I126 W133 V168 I180 L182 | M66-I126 HydrophobicContact CG-CD1 4.16Å; M66-I126 HydrophobicContact SD-CD1 4.12Å; M66-W133 HydrophobicContact CE-CH2 3.7Å; M66-W133 HydrophobicContact CE-CZ2 4.18Å; M66-W133 HydrophobicContact CE-CZ3 4.34Å; M66-W133 HydrophobicContact CG-CD2 4.25Å; M66-W133 HydrophobicContact CG-CE3 3.88Å; M66-W133 HydrophobicContact CG-CH2 3.77Å; M66-W133 HydrophobicContact CG-CZ2 4.14Å; M66-W133 HydrophobicContact CG-CZ3 3.63Å; M66-W133 HydrophobicContact SD-CH2 4.31Å; M66-W133 HydrophobicContact SD-CZ2 4.43Å; M66-V168 HydrophobicContact CE-CB 4.45Å; M66-V168 HydrophobicContact CE-CG1 3.74Å; M66-V168 HydrophobicContact SD-CG1 4.41Å; M66-V168 HydrophobicContact SD-CG2 4.24Å; M66-I180 HydrophobicContact CE-CG2 4.01Å; M66-I180 HydrophobicContact SD-CD1 3.98Å; M66-I180 HydrophobicContact SD-CG2 3.96Å; M66-L182 HydrophobicContact CE-CD2 4.05Å |
| 67 | G | 88.1 | Confident | 90.3 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 178.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C132 | G67-C132 PolarHBondContact N-O 2.93Å; G67-C132 PolarHBondContact O-N 3.11Å; G67-C132 VanDerWaalsContact O-O 3.05Å |
| 68 | T | 88.5 | Confident | 90.1 | Very high | 102 Ų | 102 | 54.9 Ų | 54.9 | 63% | 0.626 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 133.6 | 173.4 | 42.6 | 0 | 0 | 0 | 0 | 110.2 | E130 | T68-E130 WeakPolarHBondContact CA-O 3.38Å; T68-E130 WeakPolarHBondContact CG2-O 3.39Å |
| 69 | P | 89.4 | Confident | 90 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 8% | 0.078 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 159.1 | 177.8 | 28.9 | -33.8 | 0 | 0 | 0 | 111.3 | C132 | P69-C132 HydrophobicContact CB-CB 3.83Å; P69-C132 HydrophobicContact CG-CB 4.19Å |
| 70 | K | 87.5 | Confident | 89.9 | Confident | 101 Ų | 101 | 57.4 Ų | 57.4 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 138.1 | 175.4 | -66.1 | -176.6 | -179.9 | -179.2 | 0 | 110.5 | E72 K73 Y78 | K70-E72 PolarHBondContact O-N 3.37Å; K70-E72 VanDerWaalsContact O-N 3.14Å; K70-K73 CarbonylContact O-C 3.13Å; K70-K73 PolarHBondContact O-N 3.17Å; K70-Y78 HydrophobicContact CD-CD1 4.48Å; K70-Y78 HydrophobicContact CG-CD1 4.07Å; K70-Y78 HydrophobicContact CG-CE1 4.16Å |
| 71 | L | 86.7 | Confident | 89.8 | Confident | 175 Ų | 175 | 57.9 Ų | 57.9 | 92% | 0.916 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -34.2 | -178.9 | -66.8 | 171.8 | 0 | 0 | 0 | 113.2 | K73 | L71-K73 VanDerWaalsContact C-N 3.29Å; L71-K73 PolarHBondContact O-N 2.95Å |
| 72 | E | 87.4 | Confident | 89.7 | Confident | 175 Ų | 175 | 63.3 Ų | 63.3 | 82% | 0.818 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -29 | 179.2 | -60.6 | 176.2 | 96.7 | 0 | 0 | 112.8 | K70 | K70-E72 PolarHBondContact O-N 3.37Å; K70-E72 VanDerWaalsContact O-N 3.14Å |
| 73 | K | 85.2 | Confident | 89.6 | Confident | 76 Ų | 76 | 63.9 Ų | 63.9 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | trans | -140.6 | 71.6 | -170.2 | -79.5 | 163.3 | 155.8 | -139.5 | 0 | 109.7 | K70 L71 N75 E76 | K70-K73 CarbonylContact O-C 3.13Å; K70-K73 PolarHBondContact O-N 3.17Å; L71-K73 VanDerWaalsContact C-N 3.29Å; L71-K73 PolarHBondContact O-N 2.95Å; K73-N75 PolarHBondContact O-N 3.42Å; K73-E76 HydrophobicContact CB-CG 3.84Å; K73-E76 WeakPolarHBondContact CD-OE1 3.44Å; K73-E76 WeakPolarHBondContact CE-OE1 3.43Å; K73-E76 HydrophobicContact CG-CG 4.42Å; K73-E76 IonicContact NZ-OE1 2.61Å; K73-E76 PolarHBondContact NZ-OE1 2.67Å | ||
| 74 | P | 86.4 | Confident | 89.5 | Confident | 23 Ų | 23 | 63.2 Ų | 63.2 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -9.7 | -172.9 | 29.8 | -36.6 | 0 | 0 | 0 | 114.8 | P128 R129 | P74-P128 WeakPolarHBondContact O-CA 3.15Å; P74-R129 HydrophobicContact CB-CB 4.22Å; P74-R129 HydrophobicContact CB-CG 3.36Å; P74-R129 HydrophobicContact CG-CG 4.1Å; P74-R129 PolarHBondContact O-N 3.09Å; P74-R129 VanDerWaalsContact O-N 3.1Å |
| 75 | N | 86.2 | Confident | 89.3 | Confident | 102 Ų | 102 | 63 Ų | 63 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 3.8 | -173.3 | -61.3 | -18 | 0 | 0 | 0 | 112.8 | K73 C125 | K73-N75 PolarHBondContact O-N 3.42Å; N75-C125 WeakPolarHBondContact O-CB 3.19Å |
| 76 | E | 87.9 | Confident | 89.2 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 12% | 0.117 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -140.7 | 147.6 | -177.5 | 61.2 | -177.8 | -156.1 | 0 | 0 | 111 | K73 L121 C132 | K73-E76 HydrophobicContact CB-CG 3.84Å; K73-E76 WeakPolarHBondContact CD-OE1 3.44Å; K73-E76 WeakPolarHBondContact CE-OE1 3.43Å; K73-E76 HydrophobicContact CG-CG 4.42Å; K73-E76 IonicContact NZ-OE1 2.61Å; K73-E76 PolarHBondContact NZ-OE1 2.67Å; E76-L121 WeakPolarHBondContact CA-O 3.25Å; E76-L121 HydrophobicContact CB-CB 3.72Å; E76-L121 HydrophobicContact CG-CB 4.48Å; E76-C132 VanDerWaalsContact C-SG 3.5Å |
| 77 | G | 88 | Confident | 88.9 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | trans | -73 | 179.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | L121 C132 W133 | G77-L121 PolarHBondContact N-O 3.49Å; G77-C132 WeakPolarHBondContact CA-SG 3.39Å; G77-C132 PolarHBondContact N-SG 2.92Å; G77-W133 WeakPolarHBondContact CA-O 3.42Å | ||
| 78 | Y | 89.4 | Confident | 88.7 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 158.3 | 174.7 | 63 | -87.7 | 0 | 0 | 0 | 111.2 | K70 E80 V134 L135 | K70-Y78 HydrophobicContact CD-CD1 4.48Å; K70-Y78 HydrophobicContact CG-CD1 4.07Å; K70-Y78 HydrophobicContact CG-CE1 4.16Å; Y78-E80 HydrophobicContact CD2-CG 3.75Å; Y78-E80 HydrophobicContact CE2-CG 3.56Å; Y78-V134 HydrophobicContact CD1-CG2 4.29Å; Y78-V134 HydrophobicContact CD2-CG1 3.94Å; Y78-V134 HydrophobicContact CE1-CG1 4.4Å; Y78-V134 HydrophobicContact CE1-CG2 3.62Å; Y78-V134 HydrophobicContact CE2-CB 4.45Å; Y78-V134 HydrophobicContact CE2-CG1 3.44Å; Y78-V134 VanDerWaalsContact CE2-CG1 3.44Å; Y78-V134 HydrophobicContact CE2-CG2 4.17Å; Y78-L135 PolarHBondContact O-N 3.06Å; Y78-L135 VanDerWaalsContact O-N 3.11Å |
| 79 | L | 91 | Very high | 88.3 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 138.1 | 174.5 | -67.6 | 79.4 | 0 | 0 | 0 | 107.9 | F81 L121 L135 V137 L160 | L79-F81 HydrophobicContact CB-CE2 3.87Å; L79-F81 HydrophobicContact CB-CZ 3.85Å; L79-F81 HydrophobicContact CD2-CE1 4.39Å; L79-F81 HydrophobicContact CD2-CZ 3.76Å; L79-F81 HydrophobicContact CG-CZ 4.46Å; L79-L121 HydrophobicContact CD1-CD2 3.29Å; L79-L135 CarbonylContact C-O 3.59Å; L79-L135 WeakPolarHBondContact CA-O 3.3Å; L79-L135 HydrophobicContact CG-CB 4.17Å; L79-L135 HydrophobicContact CG-CD1 4.39Å; L79-V137 HydrophobicContact CD2-CG2 4.49Å; L79-L160 HydrophobicContact CD2-CD2 4.33Å |
| 80 | E | 92.3 | Very high | 87.8 | Confident | 65 Ų | 65 | 60.4 Ų | 60.4 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 132.1 | 165.9 | -63 | -154.5 | 88.6 | 0 | 0 | 109.2 | Y78 Y110 V134 L135 Y136 V137 | Y78-E80 HydrophobicContact CD2-CG 3.75Å; Y78-E80 HydrophobicContact CE2-CG 3.56Å; E80-Y110 WeakPolarHBondContact CA-OH 3.46Å; E80-V134 HydrophobicContact CG-CG1 4.44Å; E80-L135 PolarHBondContact N-O 3.45Å; E80-Y136 HydrophobicContact CB-CD1 3.83Å; E80-Y136 HydrophobicContact CB-CE1 3.92Å; E80-Y136 HydrophobicContact CG-CD1 4.49Å; E80-Y136 HydrophobicContact CG-CE1 4.11Å; E80-Y136 WeakPolarHBondContact OE2-CE1 3.49Å; E80-Y136 PolarHBondContact OE2-OH 3.09Å; E80-V137 PolarHBondContact O-N 3.42Å |
| 81 | F | 94.3 | Very high | 87.6 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 4% | 0.044 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.4 | 178.7 | -61.3 | -79.7 | 0 | 0 | 0 | 109 | L79 L109 Y110 F113 V137 V156 | L79-F81 HydrophobicContact CB-CE2 3.87Å; L79-F81 HydrophobicContact CB-CZ 3.85Å; L79-F81 HydrophobicContact CD2-CE1 4.39Å; L79-F81 HydrophobicContact CD2-CZ 3.76Å; L79-F81 HydrophobicContact CG-CZ 4.46Å; F81-L109 HydrophobicContact CB-CB 4.34Å; F81-L109 HydrophobicContact CB-CD1 4.23Å; F81-L109 HydrophobicContact CD1-CB 4.08Å; F81-L109 HydrophobicContact CD1-CD1 3.96Å; F81-L109 HydrophobicContact CD2-CB 4Å; F81-L109 HydrophobicContact CE1-CB 4.45Å; F81-L109 HydrophobicContact CE2-CB 4.37Å; F81-L109 HydrophobicContact CG-CB 3.85Å; F81-L109 HydrophobicContact CG-CD1 4.19Å; F81-Y110 HydrophobicContact CB-CE2 4.32Å; F81-Y110 AromaticContact CD2-CD1 3.87Å; F81-Y110 HydrophobicContact CD2-CD1 3.87Å; F81-Y110 AromaticContact CD2-CE1 3.84Å; F81-Y110 HydrophobicContact CD2-CE1 3.84Å; F81-Y110 HydrophobicContact CD2-CE2 4.47Å; F81-Y110 HydrophobicContact CD2-CG 4.21Å; F81-Y110 HydrophobicContact CE2-CD1 4.35Å; F81-Y110 PolarHBondContact N-OH 3.15Å; F81-F113 AromaticContact CE1-CD2 3.91Å; F81-F113 HydrophobicContact CE1-CD2 3.91Å; F81-F113 AromaticContact CE1-CE2 3.82Å; F81-F113 HydrophobicContact CE1-CE2 3.82Å; F81-F113 HydrophobicContact CE2-CB 4.09Å; F81-F113 AromaticContact CE2-CD2 3.63Å; F81-F113 HydrophobicContact CE2-CD2 3.63Å; F81-F113 HydrophobicContact CE2-CE2 4.38Å; F81-F113 HydrophobicContact CE2-CG 4.08Å; F81-F113 HydrophobicContact CZ-CB 4.18Å; F81-F113 HydrophobicContact CZ-CD1 4.46Å; F81-F113 AromaticContact CZ-CD2 3.12Å; F81-F113 HydrophobicContact CZ-CD2 3.12Å; F81-F113 AromaticContact CZ-CE2 3.5Å; F81-F113 HydrophobicContact CZ-CE2 3.5Å; F81-F113 VanDerWaalsContact CZ-CE2 3.5Å; F81-F113 AromaticContact CZ-CG 3.69Å; F81-F113 HydrophobicContact CZ-CG 3.69Å; F81-F113 HydrophobicContact CZ-CZ 4.3Å; F81-V137 WeakPolarHBondContact CA-O 3.05Å; F81-V137 HydrophobicContact CD1-CB 3.62Å; F81-V137 HydrophobicContact CD1-CG1 3.9Å; F81-V137 HydrophobicContact CD1-CG2 4.13Å; F81-V137 HydrophobicContact CE1-CB 3.83Å; F81-V137 HydrophobicContact CE1-CG1 4.04Å; F81-V137 HydrophobicContact CE1-CG2 3.83Å; F81-V156 HydrophobicContact CE1-CG1 4.27Å |
| 82 | F | 94.2 | Very high | 87.2 | Confident | 125 Ų | 125 | 57.1 Ų | 57.1 | 55% | 0.548 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.3 | 168.4 | -173.4 | -105.6 | 0 | 0 | 0 | 108.8 | D84 V137 D138 V139 | F82-D84 HydrophobicContact CE1-CB 3.98Å; F82-V137 PolarHBondContact N-O 3.2Å; F82-D138 WeakPolarHBondContact CB-OD1 3.01Å; F82-V139 PolarHBondContact O-N 3.03Å |
| 83 | V | 93.3 | Very high | 86.9 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 112.9 | -178.4 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | I105 A106 L109 V139 | V83-I105 HydrophobicContact CG1-CB 4.32Å; V83-I105 HydrophobicContact CG1-CD1 4.12Å; V83-I105 HydrophobicContact CG1-CG2 4.21Å; V83-I105 HydrophobicContact CG2-CB 4.13Å; V83-I105 HydrophobicContact CG2-CG2 3.74Å; V83-A106 HydrophobicContact CG2-CB 4.2Å; V83-L109 HydrophobicContact CG2-CD1 4.38Å; V83-V139 CarbonylContact C-O 3.5Å; V83-V139 WeakPolarHBondContact CA-O 3.44Å; V83-V139 HydrophobicContact CG1-CB 4.34Å; V83-V139 HydrophobicContact CG1-CG1 4.45Å; V83-V139 HydrophobicContact CG2-CB 4.21Å; V83-V139 HydrophobicContact CG2-CG2 4.44Å |
| 84 | D | 91.7 | Very high | 86.6 | Confident | 80 Ų | 80 | 52.4 Ų | 52.4 | 43% | 0.428 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 116.8 | 175.2 | -167.5 | 3.2 | 0 | 0 | 0 | 109.8 | F82 S86 V139 L140 L141 | F82-D84 HydrophobicContact CE1-CB 3.98Å; D84-S86 PolarHBondContact O-N 3.2Å; D84-V139 PolarHBondContact N-O 3.28Å; D84-L140 HydrophobicContact CB-CD1 3.96Å; D84-L141 PolarHBondContact O-N 3.11Å |
| 85 | C | 87.9 | Confident | 86.4 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 92.7 | 176.1 | -65.6 | 0 | 0 | 0 | 0 | 108.4 | F93 G98 | C85-F93 HydrophobicContact CB-CB 4.45Å; C85-F93 HydrophobicContact CB-CD2 4.3Å; C85-F93 HydrophobicContact CB-CG 4.2Å; C85-G98 PolarHBondContact SG-O 3.37Å |
| 86 | S | 87.4 | Confident | 86.3 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | trans | -62.6 | 143 | -179.6 | -167.3 | 0 | 0 | 0 | 0 | 111.9 | D84 N88 A89 L141 | D84-S86 PolarHBondContact O-N 3.2Å; S86-N88 PolarHBondContact O-N 3.05Å; S86-N88 VanDerWaalsContact O-N 3.11Å; S86-N88 PolarHBondContact OG-N 3.26Å; S86-A89 PolarHBondContact O-N 3.38Å; S86-L141 WeakPolarHBondContact CB-O 3.08Å; S86-L141 PolarHBondContact N-O 3.25Å | ||
| 87 | A | 84.4 | Confident | 85.9 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 34% | 0.339 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A89 T90 E94 | A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 3.47Å; A87-T90 CarbonylContact O-C 3.59Å; A87-T90 VanDerWaalsContact O-C 3.31Å; A87-E94 HydrophobicContact CB-CG 3.71Å |
| 88 | N | 83.5 | Confident | 85.7 | Confident | 131 Ų | 131 | 61.5 Ų | 61.5 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -33.8 | 173.1 | -70.1 | -18.9 | 0 | 0 | 0 | 112.5 | S86 L142 | S86-N88 PolarHBondContact O-N 3.05Å; S86-N88 VanDerWaalsContact O-N 3.11Å; S86-N88 PolarHBondContact OG-N 3.26Å; N88-L142 CarbonylContact C-O 3.59Å |
| 89 | A | 79.9 | Confident | 85.6 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 13% | 0.132 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -48.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S86 A87 F93 L142 C144 | S86-A89 PolarHBondContact O-N 3.38Å; A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 3.47Å; A89-F93 HydrophobicContact CB-CD2 4.12Å; A89-F93 HydrophobicContact CB-CE2 4.11Å; A89-L142 WeakPolarHBondContact CA-O 3.36Å; A89-L142 PolarHBondContact N-O 3.03Å; A89-L142 VanDerWaalsContact N-O 3.15Å; A89-C144 HydrophobicContact CB-CB 4.25Å |
| 90 | T | 80 | Confident | 85.5 | Confident | 14 Ų | 14 | 69.6 Ų | 69.6 | 9% | 0.086 | 39% | 0.385 | C | S | . | . | trans | -150.6 | 141.5 | 170.2 | 68 | 0 | 0 | 0 | 0 | 109.2 | A2 A87 E92 F93 C144 | A2-T90 HydrophobicContact CB-CG2 3.59Å; A87-T90 CarbonylContact O-C 3.59Å; A87-T90 VanDerWaalsContact O-C 3.31Å; T90-E92 PolarHBondContact O-N 3.15Å; T90-E92 VanDerWaalsContact O-N 3.11Å; T90-F93 HydrophobicContact CG2-CE2 4.08Å; T90-F93 WeakPolarHBondContact O-CB 3.4Å; T90-F93 PolarHBondContact O-N 2.89Å; T90-F93 WeakPolarHBondContact OG1-CD2 3.43Å; T90-F93 WeakPolarHBondContact OG1-CE2 3.46Å; T90-F93 WeakPolarHBondContact OG1-CG 3.48Å; T90-C144 HydrophobicContact CG2-CB 4.3Å | ||
| 91 | P | 82.2 | Confident | 85.3 | Confident | 96 Ų | 96 | 67.3 Ų | 67.3 | 62% | 0.623 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -64 | -18.4 | -180 | 26.8 | -35.3 | 0 | 0 | 0 | 112.8 | F93 E94 | P91-F93 PolarHBondContact O-N 2.99Å; P91-E94 WeakPolarHBondContact O-CB 3.26Å; P91-E94 WeakPolarHBondContact O-CG 3.4Å; P91-E94 PolarHBondContact O-N 3.12Å |
| 92 | E | 78.9 | Confident | 85.2 | Confident | 111 Ų | 111 | 67.1 Ų | 67.1 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -68.3 | -15.5 | 175.3 | -63.7 | -177.9 | 77.8 | 0 | 0 | 113.2 | A2 T90 E94 | A2-E92 WeakPolarHBondContact CA-OE2 3.49Å; A2-E92 WeakPolarHBondContact CB-OE2 3.21Å; T90-E92 PolarHBondContact O-N 3.15Å; T90-E92 VanDerWaalsContact O-N 3.11Å; E92-E94 VanDerWaalsContact C-N 3.28Å |
| 93 | F | 80.3 | Confident | 85.1 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -83.6 | -0.4 | 174.4 | -60.2 | -39.5 | 0 | 0 | 0 | 113.5 | C85 A89 T90 P91 G95 L101 | C85-F93 HydrophobicContact CB-CB 4.45Å; C85-F93 HydrophobicContact CB-CD2 4.3Å; C85-F93 HydrophobicContact CB-CG 4.2Å; A89-F93 HydrophobicContact CB-CD2 4.12Å; A89-F93 HydrophobicContact CB-CE2 4.11Å; T90-F93 HydrophobicContact CG2-CE2 4.08Å; T90-F93 WeakPolarHBondContact O-CB 3.4Å; T90-F93 PolarHBondContact O-N 2.89Å; T90-F93 WeakPolarHBondContact OG1-CD2 3.43Å; T90-F93 WeakPolarHBondContact OG1-CE2 3.46Å; T90-F93 WeakPolarHBondContact OG1-CG 3.48Å; P91-F93 PolarHBondContact O-N 2.99Å; F93-G95 PolarHBondContact O-N 2.71Å; F93-L101 HydrophobicContact CE1-CD2 3.87Å; F93-L101 HydrophobicContact CZ-CD2 3.64Å |
| 94 | E | 79.3 | Confident | 85 | Confident | 137 Ų | 137 | 66.5 Ų | 66.5 | 64% | 0.64 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 136.7 | 175.6 | -76.6 | -175.2 | 178.3 | 0 | 0 | 112.5 | A87 P91 E92 R96 G97 | A87-E94 HydrophobicContact CB-CG 3.71Å; P91-E94 WeakPolarHBondContact O-CB 3.26Å; P91-E94 WeakPolarHBondContact O-CG 3.4Å; P91-E94 PolarHBondContact O-N 3.12Å; E92-E94 VanDerWaalsContact C-N 3.28Å; E94-R96 PolarHBondContact O-N 3.28Å; E94-G97 PolarHBondContact O-N 3.26Å |
| 95 | G | 82.6 | Confident | 85 | Confident | 76 Ų | 76 | 62.8 Ų | 62.8 | 78% | 0.784 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | -109.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F93 | F93-G95 PolarHBondContact O-N 2.71Š|
| 96 | R | 83.1 | Confident | 85.3 | Confident | 218 Ų | 218 | 63 Ų | 63 | 82% | 0.823 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 5.3 | -177.5 | -65.8 | -173.9 | 179.3 | 179.4 | -1.6 | 113.4 | E94 G98 D99 | E94-R96 PolarHBondContact O-N 3.28Å; R96-G98 PolarHBondContact O-N 3.27Å; R96-D99 PolarHBondContact O-N 3.01Å |
| 97 | G | 80 | Confident | 85.5 | Confident | 45 Ų | 45 | 66 Ų | 66 | 46% | 0.464 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -27.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E94 | E94-G97 PolarHBondContact O-N 3.26Š|
| 98 | G | 83.4 | Confident | 85.9 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -14.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | C85 R96 D100 L101 G102 | C85-G98 PolarHBondContact SG-O 3.37Å; R96-G98 PolarHBondContact O-N 3.27Å; G98-D100 PolarHBondContact O-N 2.7Å; G98-L101 PolarHBondContact O-N 3.37Å; G98-G102 PolarHBondContact O-N 3.32Å |
| 99 | D | 88.2 | Confident | 86.2 | Confident | 95 Ų | 95 | 58.2 Ų | 58.2 | 51% | 0.508 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | -169.5 | -69.8 | 1.9 | 0 | 0 | 0 | 112.6 | R96 T103 | R96-D99 PolarHBondContact O-N 3.01Å; D99-T103 VanDerWaalsContact O-CB 3.27Å; D99-T103 WeakPolarHBondContact O-CB 3.3Å; D99-T103 PolarHBondContact O-N 3.22Å; D99-T103 PolarHBondContact O-OG1 3.14Å |
| 100 | D | 89.6 | Confident | 86.7 | Confident | 135 Ų | 135 | 61.1 Ų | 61.1 | 72% | 0.722 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.9 | -45.9 | -180 | -171.5 | -98.4 | 0 | 0 | 0 | 111.2 | G98 T103 E104 | G98-D100 PolarHBondContact O-N 2.7Å; D100-T103 PolarHBondContact O-N 3Å; D100-E104 WeakPolarHBondContact O-CB 3.39Å; D100-E104 PolarHBondContact O-N 3.49Å |
| 101 | L | 88.2 | Confident | 87.2 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 177.1 | -178.5 | 62.1 | 0 | 0 | 0 | 111.3 | F93 G98 T103 E104 I105 L148 | F93-L101 HydrophobicContact CE1-CD2 3.87Å; F93-L101 HydrophobicContact CZ-CD2 3.64Å; G98-L101 PolarHBondContact O-N 3.37Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 2.93Å; L101-E104 PolarHBondContact O-N 3.05Å; L101-I105 HydrophobicContact CD1-CD1 4.07Å; L101-I105 HydrophobicContact CD1-CG1 4.37Å; L101-I105 HydrophobicContact CG-CD1 3.87Å; L101-I105 WeakPolarHBondContact O-CD1 2.96Å; L101-I105 VanDerWaalsContact O-CG1 3.27Å; L101-I105 WeakPolarHBondContact O-CG1 3.39Å; L101-I105 PolarHBondContact O-N 3.25Å; L101-L148 HydrophobicContact CD2-CD2 4.18Å |
| 102 | G | 90.8 | Very high | 87.5 | Confident | 6 Ų | 6 | 63 Ų | 63 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G98 E104 I105 A106 | G98-G102 PolarHBondContact O-N 3.32Å; G102-E104 PolarHBondContact O-N 2.86Å; G102-I105 PolarHBondContact O-N 3.48Å; G102-A106 WeakPolarHBondContact O-CB 3.38Å; G102-A106 PolarHBondContact O-N 2.95Å |
| 103 | T | 91.6 | Very high | 87.8 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | D99 D100 L101 N107 | D99-T103 VanDerWaalsContact O-CB 3.27Å; D99-T103 WeakPolarHBondContact O-CB 3.3Å; D99-T103 PolarHBondContact O-N 3.22Å; D99-T103 PolarHBondContact O-OG1 3.14Å; D100-T103 PolarHBondContact O-N 3Å; L101-T103 VanDerWaalsContact C-N 3.32Å; L101-T103 PolarHBondContact O-N 2.93Å; T103-N107 WeakPolarHBondContact O-CB 3.35Å; T103-N107 VanDerWaalsContact O-CG 3.23Å; T103-N107 PolarHBondContact O-N 2.9Å; T103-N107 PolarHBondContact O-ND2 2.92Å |
| 104 | E | 91.8 | Very high | 87.9 | Confident | 47 Ų | 47 | 64 Ų | 64 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 175.8 | 178.1 | 169 | 80.4 | 0 | 0 | 112.2 | D100 L101 G102 T108 R240 | D100-E104 WeakPolarHBondContact O-CB 3.39Å; D100-E104 PolarHBondContact O-N 3.49Å; L101-E104 PolarHBondContact O-N 3.05Å; G102-E104 PolarHBondContact O-N 2.86Å; E104-T108 PolarHBondContact O-N 3.48Å; E104-T108 PolarHBondContact O-OG1 3.31Å; E104-R240 IonicContact OE2-CZ 2.71Å; E104-R240 IonicContact OE2-NH2 3.99Å; E104-R240 PolarHBondContact OE2-NH2 2.91Å |
| 105 | I | 92.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.5 | -48 | 178.7 | -66.2 | 163.5 | 0 | 0 | 0 | 109.8 | V83 L101 G102 N107 T108 L109 L141 L148 F149 I152 | V83-I105 HydrophobicContact CG1-CB 4.32Å; V83-I105 HydrophobicContact CG1-CD1 4.12Å; V83-I105 HydrophobicContact CG1-CG2 4.21Å; V83-I105 HydrophobicContact CG2-CB 4.13Å; V83-I105 HydrophobicContact CG2-CG2 3.74Å; L101-I105 HydrophobicContact CD1-CD1 4.07Å; L101-I105 HydrophobicContact CD1-CG1 4.37Å; L101-I105 HydrophobicContact CG-CD1 3.87Å; L101-I105 WeakPolarHBondContact O-CD1 2.96Å; L101-I105 VanDerWaalsContact O-CG1 3.27Å; L101-I105 WeakPolarHBondContact O-CG1 3.39Å; L101-I105 PolarHBondContact O-N 3.25Å; G102-I105 PolarHBondContact O-N 3.48Å; I105-N107 VanDerWaalsContact C-N 3.34Å; I105-N107 PolarHBondContact O-N 2.99Å; I105-T108 WeakPolarHBondContact O-CA 3.45Å; I105-T108 WeakPolarHBondContact O-CB 3.47Å; I105-T108 PolarHBondContact O-N 3.38Å; I105-L109 HydrophobicContact CG2-CD1 4.03Å; I105-L109 HydrophobicContact CG2-CG 4.45Å; I105-L109 WeakPolarHBondContact O-CG 3.23Å; I105-L109 PolarHBondContact O-N 3.19Å; I105-L141 HydrophobicContact CD1-CD1 4.34Å; I105-L148 HydrophobicContact CD1-CD2 3.64Å; I105-L148 HydrophobicContact CD1-CG 4.36Å; I105-F149 HydrophobicContact CB-CE1 4.44Å; I105-F149 HydrophobicContact CG1-CD1 4.3Å; I105-F149 HydrophobicContact CG1-CE1 3.7Å; I105-F149 HydrophobicContact CG1-CZ 4.24Å; I105-I152 HydrophobicContact CD1-CD1 3.86Å; I105-I152 HydrophobicContact CG1-CD1 4.34Å; I105-I152 HydrophobicContact CG2-CD1 3.55Å; I105-I152 HydrophobicContact CG2-CG2 4.38Å |
| 106 | A | 93.2 | Very high | 87 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 10% | 0.099 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.5 | -47.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V83 G102 T108 L109 Y110 | V83-A106 HydrophobicContact CG2-CB 4.2Å; G102-A106 WeakPolarHBondContact O-CB 3.38Å; G102-A106 PolarHBondContact O-N 2.95Å; A106-T108 VanDerWaalsContact C-N 3.27Å; A106-T108 PolarHBondContact O-N 3.41Å; A106-L109 PolarHBondContact O-N 3.23Å; A106-Y110 HydrophobicContact CB-CE2 4.44Å; A106-Y110 WeakPolarHBondContact O-CD2 3.5Å; A106-Y110 PolarHBondContact O-N 2.97Å |
| 107 | N | 92.4 | Very high | 86.5 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.5 | -36.1 | 176.2 | -76.9 | -35.2 | 0 | 0 | 0 | 112.9 | T103 I105 R111 | T103-N107 WeakPolarHBondContact O-CB 3.35Å; T103-N107 VanDerWaalsContact O-CG 3.23Å; T103-N107 PolarHBondContact O-N 2.9Å; T103-N107 PolarHBondContact O-ND2 2.92Å; I105-N107 VanDerWaalsContact C-N 3.34Å; I105-N107 PolarHBondContact O-N 2.99Å; N107-R111 WeakPolarHBondContact O-CB 3.33Å; N107-R111 PolarHBondContact O-N 3.4Å |
| 108 | T | 91.4 | Very high | 86.3 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.5 | -44.3 | 176.4 | -55 | 0 | 0 | 0 | 0 | 110.8 | E104 I105 A106 R111 I112 I200 R240 | E104-T108 PolarHBondContact O-N 3.48Å; E104-T108 PolarHBondContact O-OG1 3.31Å; I105-T108 WeakPolarHBondContact O-CA 3.45Å; I105-T108 WeakPolarHBondContact O-CB 3.47Å; I105-T108 PolarHBondContact O-N 3.38Å; A106-T108 VanDerWaalsContact C-N 3.27Å; A106-T108 PolarHBondContact O-N 3.41Å; T108-R111 PolarHBondContact O-N 2.88Å; T108-I112 HydrophobicContact CG2-CD1 4.03Å; T108-I112 WeakPolarHBondContact O-CD1 3.5Å; T108-I112 VanDerWaalsContact O-CG1 3.23Å; T108-I112 WeakPolarHBondContact O-CG1 3.39Å; T108-I112 PolarHBondContact O-N 2.82Å; T108-I200 HydrophobicContact CG2-CD1 4.42Å; T108-R240 PolarHBondContact OG1-NH1 3.07Å |
| 109 | L | 91.1 | Very high | 86.2 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 174.6 | -68.8 | 168.3 | 0 | 0 | 0 | 111.3 | F81 V83 I105 A106 R111 I112 F113 V139 I152 V156 | F81-L109 HydrophobicContact CB-CB 4.34Å; F81-L109 HydrophobicContact CB-CD1 4.23Å; F81-L109 HydrophobicContact CD1-CB 4.08Å; F81-L109 HydrophobicContact CD1-CD1 3.96Å; F81-L109 HydrophobicContact CD2-CB 4Å; F81-L109 HydrophobicContact CE1-CB 4.45Å; F81-L109 HydrophobicContact CE2-CB 4.37Å; F81-L109 HydrophobicContact CG-CB 3.85Å; F81-L109 HydrophobicContact CG-CD1 4.19Å; V83-L109 HydrophobicContact CG2-CD1 4.38Å; I105-L109 HydrophobicContact CG2-CD1 4.03Å; I105-L109 HydrophobicContact CG2-CG 4.45Å; I105-L109 WeakPolarHBondContact O-CG 3.23Å; I105-L109 PolarHBondContact O-N 3.19Å; A106-L109 PolarHBondContact O-N 3.23Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 2.91Å; L109-I112 WeakPolarHBondContact O-CB 3.38Å; L109-I112 PolarHBondContact O-N 3.2Å; L109-F113 HydrophobicContact CD2-CE2 4.27Å; L109-F113 VanDerWaalsContact O-CD2 3.27Å; L109-F113 WeakPolarHBondContact O-CD2 3.28Å; L109-F113 PolarHBondContact O-N 2.53Å; L109-V139 HydrophobicContact CD1-CG2 4.46Å; L109-I152 HydrophobicContact CD1-CG2 4.11Å; L109-I152 HydrophobicContact CD2-CG2 4.25Å; L109-V156 HydrophobicContact CD2-CG2 4.47Å |
| 110 | Y | 91.1 | Very high | 85.9 | Confident | 77 Ų | 77 | 54.3 Ų | 54.3 | 30% | 0.302 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.4 | -43.4 | 174.4 | -80.1 | -62.9 | 0 | 0 | 0 | 112 | E80 F81 A106 I112 F113 N114 | E80-Y110 WeakPolarHBondContact CA-OH 3.46Å; F81-Y110 HydrophobicContact CB-CE2 4.32Å; F81-Y110 AromaticContact CD2-CD1 3.87Å; F81-Y110 HydrophobicContact CD2-CD1 3.87Å; F81-Y110 AromaticContact CD2-CE1 3.84Å; F81-Y110 HydrophobicContact CD2-CE1 3.84Å; F81-Y110 HydrophobicContact CD2-CE2 4.47Å; F81-Y110 HydrophobicContact CD2-CG 4.21Å; F81-Y110 HydrophobicContact CE2-CD1 4.35Å; F81-Y110 PolarHBondContact N-OH 3.15Å; A106-Y110 HydrophobicContact CB-CE2 4.44Å; A106-Y110 WeakPolarHBondContact O-CD2 3.5Å; A106-Y110 PolarHBondContact O-N 2.97Å; Y110-I112 VanDerWaalsContact C-N 3.3Å; Y110-I112 PolarHBondContact O-N 3.46Å; Y110-F113 PolarHBondContact O-N 2.87Å; Y110-N114 VanDerWaalsContact O-CB 3.29Å; Y110-N114 WeakPolarHBondContact O-CB 3.4Å; Y110-N114 PolarHBondContact O-N 2.94Å |
| 111 | R | 89.5 | Confident | 85.7 | Confident | 146 Ų | 146 | 49.1 Ų | 49.1 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.1 | -34 | 178.9 | -169.8 | 171.5 | -178.2 | -174.2 | -1.5 | 112.9 | N107 T108 L109 C238 | N107-R111 WeakPolarHBondContact O-CB 3.33Å; N107-R111 PolarHBondContact O-N 3.4Å; T108-R111 PolarHBondContact O-N 2.88Å; L109-R111 VanDerWaalsContact C-N 3.26Å; L109-R111 PolarHBondContact O-N 2.91Å; R111-C238 VanDerWaalsContact CD-SG 3.6Å |
| 112 | I | 88.4 | Confident | 85.5 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.4 | -44.6 | 178.2 | -70.6 | 164.9 | 0 | 0 | 0 | 110.9 | T108 L109 Y110 P198 I200 T237 C238 | T108-I112 HydrophobicContact CG2-CD1 4.03Å; T108-I112 WeakPolarHBondContact O-CD1 3.5Å; T108-I112 VanDerWaalsContact O-CG1 3.23Å; T108-I112 WeakPolarHBondContact O-CG1 3.39Å; T108-I112 PolarHBondContact O-N 2.82Å; L109-I112 WeakPolarHBondContact O-CB 3.38Å; L109-I112 PolarHBondContact O-N 3.2Å; Y110-I112 VanDerWaalsContact C-N 3.3Å; Y110-I112 PolarHBondContact O-N 3.46Å; I112-P198 HydrophobicContact CG2-CB 4.48Å; I112-P198 HydrophobicContact CG2-CG 3.22Å; I112-I200 HydrophobicContact CD1-CD1 3.22Å; I112-I200 HydrophobicContact CD1-CG1 3.42Å; I112-I200 VanDerWaalsContact CD1-CG1 3.42Å; I112-T237 WeakPolarHBondContact O-CG2 3.44Å; I112-C238 HydrophobicContact CG1-CB 4.13Å |
| 113 | F | 85.6 | Confident | 85.3 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -84.9 | -11.2 | -177 | -72.7 | -76.7 | 0 | 0 | 0 | 114.4 | F81 L109 Y110 N115 S118 V119 V156 L160 V197 | F81-F113 AromaticContact CE1-CD2 3.91Å; F81-F113 HydrophobicContact CE1-CD2 3.91Å; F81-F113 AromaticContact CE1-CE2 3.82Å; F81-F113 HydrophobicContact CE1-CE2 3.82Å; F81-F113 HydrophobicContact CE2-CB 4.09Å; F81-F113 AromaticContact CE2-CD2 3.63Å; F81-F113 HydrophobicContact CE2-CD2 3.63Å; F81-F113 HydrophobicContact CE2-CE2 4.38Å; F81-F113 HydrophobicContact CE2-CG 4.08Å; F81-F113 HydrophobicContact CZ-CB 4.18Å; F81-F113 HydrophobicContact CZ-CD1 4.46Å; F81-F113 AromaticContact CZ-CD2 3.12Å; F81-F113 HydrophobicContact CZ-CD2 3.12Å; F81-F113 AromaticContact CZ-CE2 3.5Å; F81-F113 HydrophobicContact CZ-CE2 3.5Å; F81-F113 VanDerWaalsContact CZ-CE2 3.5Å; F81-F113 AromaticContact CZ-CG 3.69Å; F81-F113 HydrophobicContact CZ-CG 3.69Å; F81-F113 HydrophobicContact CZ-CZ 4.3Å; L109-F113 HydrophobicContact CD2-CE2 4.27Å; L109-F113 VanDerWaalsContact O-CD2 3.27Å; L109-F113 WeakPolarHBondContact O-CD2 3.28Å; L109-F113 PolarHBondContact O-N 2.53Å; Y110-F113 PolarHBondContact O-N 2.87Å; F113-N115 PolarHBondContact O-N 3.18Å; F113-S118 PolarHBondContact O-OG 3.22Å; F113-V119 HydrophobicContact CD1-CG2 4.03Å; F113-V119 HydrophobicContact CE1-CG2 4.03Å; F113-V156 HydrophobicContact CE2-CG1 4Å; F113-V156 HydrophobicContact CZ-CG1 3.78Å; F113-L160 HydrophobicContact CE1-CD1 4.03Å; F113-L160 HydrophobicContact CZ-CD1 4.04Å; F113-V197 HydrophobicContact CE1-CG1 3.99Å; F113-V197 HydrophobicContact CE1-CG2 4.43Å; F113-V197 HydrophobicContact CZ-CG1 4.02Å |
| 114 | N | 82.2 | Confident | 84.9 | Confident | 124 Ų | 124 | 55.1 Ų | 55.1 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.1 | 173.9 | -164.7 | 26.1 | 0 | 0 | 0 | 113.3 | Y110 K116 | Y110-N114 VanDerWaalsContact O-CB 3.29Å; Y110-N114 WeakPolarHBondContact O-CB 3.4Å; Y110-N114 PolarHBondContact O-N 2.94Å; N114-K116 PolarHBondContact O-N 2.58Å |
| 115 | N | 76.9 | Confident | 84.6 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 38% | 0.38 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -77.6 | 116.1 | 170.7 | -167.7 | -11.1 | 0 | 0 | 0 | 110.7 | F113 S117 S118 T237 | F113-N115 PolarHBondContact O-N 3.18Å; N115-S117 PolarHBondContact O-N 3.41Å; N115-S117 PolarHBondContact OD1-N 2.67Å; N115-S118 WeakPolarHBondContact O-CB 3.45Å; N115-S118 PolarHBondContact O-N 2.86Å; N115-S118 PolarHBondContact O-OG 2.9Å; N115-T237 HydrophobicContact CB-CG2 3.81Å |
| 116 | K | 66.1 | Low | 84.3 | Confident | 146 Ų | 146 | 56.3 Ų | 56.3 | 64% | 0.635 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -20 | -179.8 | -72.9 | -173.3 | 175.5 | -176.9 | 0 | 114.8 | N114 | N114-K116 PolarHBondContact O-N 2.58Š|
| 117 | S | 71.6 | Confident | 83.9 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -7.7 | -179.6 | -171.4 | 0 | 0 | 0 | 0 | 114.1 | N115 N196 | N115-S117 PolarHBondContact O-N 3.41Å; N115-S117 PolarHBondContact OD1-N 2.67Å; S117-N196 WeakPolarHBondContact O-CB 3.18Å; S117-N196 PolarHBondContact O-ND2 3.42Å |
| 118 | S | 75.5 | Confident | 83.5 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -75.9 | -49 | -172.8 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | F113 N115 | F113-S118 PolarHBondContact O-OG 3.22Å; N115-S118 WeakPolarHBondContact O-CB 3.45Å; N115-S118 PolarHBondContact O-N 2.86Å; N115-S118 PolarHBondContact O-OG 2.9Å |
| 119 | V | 82.1 | Confident | 83.1 | Confident | 6 Ų | 6 | 65.7 Ų | 65.7 | 4% | 0.036 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -131 | 137.3 | 179.3 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | F113 L121 L192 V197 | F113-V119 HydrophobicContact CD1-CG2 4.03Å; F113-V119 HydrophobicContact CE1-CG2 4.03Å; V119-L121 VanDerWaalsContact C-N 3.35Å; V119-L121 HydrophobicContact CB-CD2 4.21Å; V119-L121 HydrophobicContact CG1-CD2 4.07Å; V119-L121 PolarHBondContact O-N 3.37Å; V119-L192 HydrophobicContact CG1-CD2 4.23Å; V119-V197 HydrophobicContact CG2-CG2 4.04Å |
| 120 | D | 82.6 | Confident | 82.8 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | trans | -75.8 | 89.2 | 174.9 | -167.5 | -86 | 0 | 0 | 0 | 110.4 | K122 T123 | D120-K122 PolarHBondContact O-N 3.41Å; D120-K122 PolarHBondContact OD1-N 2.77Å; D120-T123 WeakPolarHBondContact OD1-CB 3.24Å; D120-T123 PolarHBondContact OD1-N 2.9Å; D120-T123 PolarHBondContact OD1-OG1 2.88Å | ||
| 121 | L | 84.6 | Confident | 82.5 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.131 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -73.2 | -11.4 | 180 | -56.3 | 176.7 | 0 | 0 | 0 | 112.9 | E76 G77 L79 V119 L124 | E76-L121 WeakPolarHBondContact CA-O 3.25Å; E76-L121 HydrophobicContact CB-CB 3.72Å; E76-L121 HydrophobicContact CG-CB 4.48Å; G77-L121 PolarHBondContact N-O 3.49Å; L79-L121 HydrophobicContact CD1-CD2 3.29Å; V119-L121 VanDerWaalsContact C-N 3.35Å; V119-L121 HydrophobicContact CB-CD2 4.21Å; V119-L121 HydrophobicContact CG1-CD2 4.07Å; V119-L121 PolarHBondContact O-N 3.37Å; L121-L124 HydrophobicContact CD2-CD1 3.99Å; L121-L124 WeakPolarHBondContact O-CB 3.49Å; L121-L124 PolarHBondContact O-N 2.85Å |
| 122 | K | 85 | Confident | 82.6 | Confident | 149 Ų | 149 | 59.8 Ų | 59.8 | 65% | 0.648 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -75.3 | -36.8 | 178.2 | -65.7 | 179.2 | -179.3 | 177.6 | 0 | 111.2 | D120 L124 C125 | D120-K122 PolarHBondContact O-N 3.41Å; D120-K122 PolarHBondContact OD1-N 2.77Å; K122-L124 PolarHBondContact O-N 3.46Å; K122-C125 WeakPolarHBondContact O-CB 3.37Å; K122-C125 PolarHBondContact O-N 3.05Å |
| 123 | T | 85.3 | Confident | 82.7 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.8 | 173.7 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | D120 C125 I190 | D120-T123 WeakPolarHBondContact OD1-CB 3.24Å; D120-T123 PolarHBondContact OD1-N 2.9Å; D120-T123 PolarHBondContact OD1-OG1 2.88Å; T123-C125 VanDerWaalsContact C-N 3.33Å; T123-I190 HydrophobicContact CG2-CD1 4.32Å |
| 124 | L | 84.6 | Confident | 83 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -8.7 | 176.3 | -66.4 | 176.4 | 0 | 0 | 0 | 113.7 | L121 K122 C132 W133 L135 I165 L192 | L121-L124 HydrophobicContact CD2-CD1 3.99Å; L121-L124 WeakPolarHBondContact O-CB 3.49Å; L121-L124 PolarHBondContact O-N 2.85Å; K122-L124 PolarHBondContact O-N 3.46Å; L124-C132 PolarHBondContact O-SG 3.41Å; L124-C132 VanDerWaalsContact O-SG 3.36Å; L124-W133 HydrophobicContact CB-CB 3.97Å; L124-W133 HydrophobicContact CD2-CB 3.79Å; L124-W133 HydrophobicContact CD2-CG 4.36Å; L124-W133 HydrophobicContact CG-CB 4.42Å; L124-W133 WeakPolarHBondContact O-CB 3.47Å; L124-W133 VanDerWaalsContact O-CD1 3.29Å; L124-W133 PolarHBondContact O-N 2.95Å; L124-L135 HydrophobicContact CD1-CD1 3.92Å; L124-L135 HydrophobicContact CD1-CG 4.25Å; L124-L135 HydrophobicContact CD2-CD1 4.38Å; L124-I165 HydrophobicContact CD2-CD1 3.41Å; L124-I165 VanDerWaalsContact CD2-CD1 3.41Å; L124-L192 HydrophobicContact CD1-CD2 4.48Å; L124-L192 HydrophobicContact CD2-CD2 3.98Å; L124-L192 HydrophobicContact CG-CD2 4.25Å |
| 125 | C | 85.8 | Confident | 83.5 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.3 | 178.9 | -168.3 | 0 | 0 | 0 | 0 | 110.9 | N75 K122 T123 | N75-C125 WeakPolarHBondContact O-CB 3.19Å; K122-C125 WeakPolarHBondContact O-CB 3.37Å; K122-C125 PolarHBondContact O-N 3.05Å; T123-C125 VanDerWaalsContact C-N 3.33Å |
| 126 | I | 85.4 | Confident | 84.3 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 23% | 0.226 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -61.8 | 178.7 | -51.8 | 156.8 | 0 | 0 | 0 | 108.9 | M66 H131 W133 V168 V170 | M66-I126 HydrophobicContact CG-CD1 4.16Å; M66-I126 HydrophobicContact SD-CD1 4.12Å; I126-H131 HydrophobicContact CB-CB 4.3Å; I126-H131 WeakPolarHBondContact CB-O 3.46Å; I126-H131 HydrophobicContact CD1-CB 4.28Å; I126-H131 PolarHBondContact N-O 3.04Å; I126-W133 HydrophobicContact CD1-CD2 4.41Å; I126-W133 HydrophobicContact CD1-CG 4.36Å; I126-V168 HydrophobicContact CD1-CG2 3.48Å; I126-V168 VanDerWaalsContact CD1-CG2 3.48Å; I126-V168 HydrophobicContact CG1-CG2 3.79Å; I126-V168 HydrophobicContact CG2-CG2 4.08Å; I126-V170 HydrophobicContact CG2-CB 4.46Å; I126-V170 HydrophobicContact CG2-CG2 3.5Å; I126-V170 VanDerWaalsContact CG2-CG2 3.5Å |
| 127 | S | 84.1 | Confident | 85.7 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.2 | 172.5 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | R129 E130 H131 | S127-R129 PolarHBondContact O-N 2.89Å; S127-E130 PolarHBondContact O-N 2.8Å; S127-E130 WeakPolarHBondContact OG-CB 3.48Å; S127-E130 PolarHBondContact OG-OE2 3.28Å; S127-H131 PolarHBondContact N-O 2.7Å; S127-H131 PolarHBondContact O-N 2.96Å; S127-H131 VanDerWaalsContact O-N 3.16Å; S127-H131 VanDerWaalsContact O-O 3.06Å; S127-H131 WeakPolarHBondContact OG-CB 3.5Å; S127-H131 PolarHBondContact OG-N 3.47Å |
| 128 | P | 83.9 | Confident | 86.8 | Confident | 83 Ų | 83 | 46 Ų | 46 | 54% | 0.539 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 134.8 | -179.7 | -24.8 | 33.6 | 0 | 0 | 0 | 111.7 | P74 E130 | P74-P128 WeakPolarHBondContact O-CA 3.15Å; P128-E130 PolarHBondContact O-N 3.06Å |
| 129 | R | 83.8 | Confident | 87.7 | Confident | 202 Ų | 202 | 45.7 Ų | 45.7 | 76% | 0.762 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | -4.6 | -179.3 | -57.1 | 177.4 | 173.5 | -159.3 | -3.7 | 116.9 | P74 S127 | P74-R129 HydrophobicContact CB-CB 4.22Å; P74-R129 HydrophobicContact CB-CG 3.36Å; P74-R129 HydrophobicContact CG-CG 4.1Å; P74-R129 PolarHBondContact O-N 3.09Å; P74-R129 VanDerWaalsContact O-N 3.1Å; S127-R129 PolarHBondContact O-N 2.89Å |
| 130 | E | 84.4 | Confident | 88.3 | Confident | 59 Ų | 59 | 47.9 Ų | 47.9 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | -62.7 | -171.6 | -177.2 | -176.4 | -124.5 | 0 | 0 | 112.5 | T68 S127 P128 K178 | T68-E130 WeakPolarHBondContact CA-O 3.38Å; T68-E130 WeakPolarHBondContact CG2-O 3.39Å; S127-E130 PolarHBondContact O-N 2.8Å; S127-E130 WeakPolarHBondContact OG-CB 3.48Å; S127-E130 PolarHBondContact OG-OE2 3.28Å; P128-E130 PolarHBondContact O-N 3.06Å; E130-K178 VanDerWaalsContact CD-CD 3.48Å; E130-K178 WeakPolarHBondContact OE1-CD 3.33Å; E130-K178 WeakPolarHBondContact OE1-CE 3.02Å; E130-K178 IonicContact OE1-NZ 3.69Å; E130-K178 PolarHBondContact OE1-NZ 2.91Å; E130-K178 WeakPolarHBondContact OE2-CD 3.26Å; E130-K178 IonicContact OE2-NZ 2.89Å; E130-K178 PolarHBondContact OE2-NZ 3.04Å |
| 131 | H | 86.1 | Confident | 88.8 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 20% | 0.199 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.3 | -179.7 | -60.5 | -58.7 | 0 | 0 | 0 | 111.7 | I126 S127 | I126-H131 HydrophobicContact CB-CB 4.3Å; I126-H131 WeakPolarHBondContact CB-O 3.46Å; I126-H131 HydrophobicContact CD1-CB 4.28Å; I126-H131 PolarHBondContact N-O 3.04Å; S127-H131 PolarHBondContact N-O 2.7Å; S127-H131 PolarHBondContact O-N 2.96Å; S127-H131 VanDerWaalsContact O-N 3.16Å; S127-H131 VanDerWaalsContact O-O 3.06Å; S127-H131 WeakPolarHBondContact OG-CB 3.5Å; S127-H131 PolarHBondContact OG-N 3.47Å |
| 132 | C | 89.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 151.4 | 178.1 | -151.5 | 0 | 0 | 0 | 0 | 110.6 | G67 P69 E76 G77 L124 | G67-C132 PolarHBondContact N-O 2.93Å; G67-C132 PolarHBondContact O-N 3.11Å; G67-C132 VanDerWaalsContact O-O 3.05Å; P69-C132 HydrophobicContact CB-CB 3.83Å; P69-C132 HydrophobicContact CG-CB 4.19Å; E76-C132 VanDerWaalsContact C-SG 3.5Å; G77-C132 WeakPolarHBondContact CA-SG 3.39Å; G77-C132 PolarHBondContact N-SG 2.92Å; L124-C132 PolarHBondContact O-SG 3.41Å; L124-C132 VanDerWaalsContact O-SG 3.36Å |
| 133 | W | 91.1 | Very high | 89.3 | Confident | 13 Ų | 13 | 42 Ų | 42 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 128 | 170.6 | -70.9 | 108.2 | 0 | 0 | 0 | 110.6 | A64 M66 G77 L124 I126 I165 P166 V168 | A64-W133 HydrophobicContact CB-CE3 3.92Å; A64-W133 HydrophobicContact CB-CZ3 4.05Å; M66-W133 HydrophobicContact CE-CH2 3.7Å; M66-W133 HydrophobicContact CE-CZ2 4.18Å; M66-W133 HydrophobicContact CE-CZ3 4.34Å; M66-W133 HydrophobicContact CG-CD2 4.25Å; M66-W133 HydrophobicContact CG-CE3 3.88Å; M66-W133 HydrophobicContact CG-CH2 3.77Å; M66-W133 HydrophobicContact CG-CZ2 4.14Å; M66-W133 HydrophobicContact CG-CZ3 3.63Å; M66-W133 HydrophobicContact SD-CH2 4.31Å; M66-W133 HydrophobicContact SD-CZ2 4.43Å; G77-W133 WeakPolarHBondContact CA-O 3.42Å; L124-W133 HydrophobicContact CB-CB 3.97Å; L124-W133 HydrophobicContact CD2-CB 3.79Å; L124-W133 HydrophobicContact CD2-CG 4.36Å; L124-W133 HydrophobicContact CG-CB 4.42Å; L124-W133 WeakPolarHBondContact O-CB 3.47Å; L124-W133 VanDerWaalsContact O-CD1 3.29Å; L124-W133 PolarHBondContact O-N 2.95Å; I126-W133 HydrophobicContact CD1-CD2 4.41Å; I126-W133 HydrophobicContact CD1-CG 4.36Å; W133-I165 HydrophobicContact CD2-CG2 3.68Å; W133-I165 VanDerWaalsContact CE2-CG2 3.49Å; W133-I165 HydrophobicContact CE3-CG2 4.01Å; W133-I165 HydrophobicContact CG-CG2 4.21Å; W133-I165 HydrophobicContact CH2-CG2 3.97Å; W133-I165 HydrophobicContact CZ2-CG2 3.64Å; W133-I165 HydrophobicContact CZ3-CG2 4.15Å; W133-P166 HydrophobicContact CH2-CG 3.94Å; W133-P166 HydrophobicContact CZ2-CG 4.35Å; W133-P166 WeakPolarHBondContact CZ2-O 3.28Å; W133-V168 HydrophobicContact CH2-CG1 4.19Å; W133-V168 HydrophobicContact CZ2-CB 4.33Å; W133-V168 HydrophobicContact CZ2-CG1 3.65Å; W133-V168 HydrophobicContact CZ2-CG2 3.68Å |
| 134 | V | 91.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.1 | 170.1 | -173.8 | 0 | 0 | 0 | 0 | 107.4 | E65 Y78 E80 Y136 | E65-V134 PolarHBondContact N-O 3.48Å; E65-V134 PolarHBondContact O-N 3.05Å; Y78-V134 HydrophobicContact CD1-CG2 4.29Å; Y78-V134 HydrophobicContact CD2-CG1 3.94Å; Y78-V134 HydrophobicContact CE1-CG1 4.4Å; Y78-V134 HydrophobicContact CE1-CG2 3.62Å; Y78-V134 HydrophobicContact CE2-CB 4.45Å; Y78-V134 HydrophobicContact CE2-CG1 3.44Å; Y78-V134 VanDerWaalsContact CE2-CG1 3.44Å; Y78-V134 HydrophobicContact CE2-CG2 4.17Å; E80-V134 HydrophobicContact CG-CG1 4.44Å; V134-Y136 HydrophobicContact CB-CE2 4.06Å; V134-Y136 HydrophobicContact CG1-CD2 4.25Å; V134-Y136 HydrophobicContact CG1-CE1 4.19Å; V134-Y136 HydrophobicContact CG1-CE2 3.67Å |
| 135 | L | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 110.3 | 176.8 | -59 | 179.3 | 0 | 0 | 0 | 108.9 | V62 A64 Y78 L79 E80 L124 L160 I165 L192 | V62-L135 HydrophobicContact CG1-CB 4.47Å; A64-L135 HydrophobicContact CB-CD2 3.62Å; Y78-L135 PolarHBondContact O-N 3.06Å; Y78-L135 VanDerWaalsContact O-N 3.11Å; L79-L135 CarbonylContact C-O 3.59Å; L79-L135 WeakPolarHBondContact CA-O 3.3Å; L79-L135 HydrophobicContact CG-CB 4.17Å; L79-L135 HydrophobicContact CG-CD1 4.39Å; E80-L135 PolarHBondContact N-O 3.45Å; L124-L135 HydrophobicContact CD1-CD1 3.92Å; L124-L135 HydrophobicContact CD1-CG 4.25Å; L124-L135 HydrophobicContact CD2-CD1 4.38Å; L135-L160 HydrophobicContact CD1-CD2 4.43Å; L135-I165 HydrophobicContact CD2-CD1 3.87Å; L135-I165 HydrophobicContact CD2-CG1 4.44Å; L135-L192 HydrophobicContact CD1-CD1 3.66Å |
| 136 | Y | 94.6 | Very high | 89.3 | Confident | 66 Ų | 66 | 38.4 Ų | 38.4 | 26% | 0.259 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 116.6 | 170.5 | -66.8 | -77.3 | 0 | 0 | 0 | 108.5 | V62 K63 E65 E80 V134 | V62-Y136 CarbonylContact C-O 3.52Å; V62-Y136 WeakPolarHBondContact CA-O 3.37Å; K63-Y136 PolarHBondContact N-O 2.82Å; K63-Y136 PolarHBondContact O-N 3.11Å; E65-Y136 HydrophobicContact CB-CD2 4.24Å; E65-Y136 HydrophobicContact CB-CE2 4Å; E65-Y136 HydrophobicContact CG-CD2 4.02Å; E65-Y136 HydrophobicContact CG-CE2 4.12Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.42Å; E80-Y136 HydrophobicContact CB-CD1 3.83Å; E80-Y136 HydrophobicContact CB-CE1 3.92Å; E80-Y136 HydrophobicContact CG-CD1 4.49Å; E80-Y136 HydrophobicContact CG-CE1 4.11Å; E80-Y136 WeakPolarHBondContact OE2-CE1 3.49Å; E80-Y136 PolarHBondContact OE2-OH 3.09Å; V134-Y136 HydrophobicContact CB-CE2 4.06Å; V134-Y136 HydrophobicContact CG1-CD2 4.25Å; V134-Y136 HydrophobicContact CG1-CE1 4.19Å; V134-Y136 HydrophobicContact CG1-CE2 3.67Å |
| 137 | V | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 106 | 177 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | V60 G61 V62 L79 E80 F81 F82 V139 V156 | V60-V137 HydrophobicContact CG1-CG1 3.79Å; G61-V137 WeakPolarHBondContact O-CA 3.05Å; V62-V137 HydrophobicContact CG1-CG2 4.44Å; V62-V137 HydrophobicContact CG2-CG1 4.36Å; V62-V137 HydrophobicContact CG2-CG2 4.18Å; L79-V137 HydrophobicContact CD2-CG2 4.49Å; E80-V137 PolarHBondContact O-N 3.42Å; F81-V137 WeakPolarHBondContact CA-O 3.05Å; F81-V137 HydrophobicContact CD1-CB 3.62Å; F81-V137 HydrophobicContact CD1-CG1 3.9Å; F81-V137 HydrophobicContact CD1-CG2 4.13Å; F81-V137 HydrophobicContact CE1-CB 3.83Å; F81-V137 HydrophobicContact CE1-CG1 4.04Å; F81-V137 HydrophobicContact CE1-CG2 3.83Å; F82-V137 PolarHBondContact N-O 3.2Å; V137-V139 HydrophobicContact CG1-CG2 4.46Å; V137-V156 HydrophobicContact CG1-CG1 4.37Å; V137-V156 HydrophobicContact CG1-CG2 4.08Å |
| 138 | D | 95.2 | Very high | 89.8 | Confident | 70 Ų | 70 | 35.8 Ų | 35.8 | 37% | 0.374 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 116.8 | 179 | -61 | -47.2 | 0 | 0 | 0 | 108.9 | V60 G61 F82 | V60-D138 WeakPolarHBondContact CA-O 3.41Å; G61-D138 PolarHBondContact N-O 2.94Å; G61-D138 PolarHBondContact O-N 3.18Å; F82-D138 WeakPolarHBondContact CB-OD1 3.01Å |
| 139 | V | 94.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119.9 | 176 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | I58 V60 F82 V83 D84 L109 V137 L141 I152 V156 | I58-V139 HydrophobicContact CG2-CG1 3.81Å; V60-V139 HydrophobicContact CG2-CB 4.36Å; V60-V139 HydrophobicContact CG2-CG1 4.13Å; V60-V139 HydrophobicContact CG2-CG2 4.05Å; F82-V139 PolarHBondContact O-N 3.03Å; V83-V139 CarbonylContact C-O 3.5Å; V83-V139 WeakPolarHBondContact CA-O 3.44Å; V83-V139 HydrophobicContact CG1-CB 4.34Å; V83-V139 HydrophobicContact CG1-CG1 4.45Å; V83-V139 HydrophobicContact CG2-CB 4.21Å; V83-V139 HydrophobicContact CG2-CG2 4.44Å; D84-V139 PolarHBondContact N-O 3.28Å; L109-V139 HydrophobicContact CD1-CG2 4.46Å; V137-V139 HydrophobicContact CG1-CG2 4.46Å; V139-L141 HydrophobicContact CG1-CD2 4.11Å; V139-I152 HydrophobicContact CG1-CD1 4.28Å; V139-I152 HydrophobicContact CG1-CG1 4.08Å; V139-I152 HydrophobicContact CG1-CG2 4.06Å; V139-I152 HydrophobicContact CG2-CG2 4.18Å; V139-V156 HydrophobicContact CG2-CG2 4.11Å |
| 140 | L | 93.8 | Very high | 90.6 | Very high | 52 Ų | 52 | 22.7 Ų | 22.7 | 27% | 0.272 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 119.9 | 175.4 | 179 | 66.5 | 0 | 0 | 0 | 109.8 | L59 D84 L142 | L59-L140 HydrophobicContact CB-CB 4.37Å; L59-L140 HydrophobicContact CD2-CD2 4.37Å; L59-L140 PolarHBondContact N-O 2.9Å; L59-L140 PolarHBondContact O-N 2.87Å; D84-L140 HydrophobicContact CB-CD1 3.96Å; L140-L142 HydrophobicContact CD2-CD2 3.96Å; L140-L142 HydrophobicContact CG-CD2 4.15Å |
| 141 | L | 92.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.9 | 175.8 | -56.6 | -176 | 0 | 0 | 0 | 110.2 | I58 D84 S86 I105 V139 L148 I152 | I58-L141 HydrophobicContact CB-CD2 4.49Å; I58-L141 HydrophobicContact CD1-CD2 3.9Å; I58-L141 HydrophobicContact CG1-CD2 3.92Å; I58-L141 HydrophobicContact CG2-CD2 3.99Å; D84-L141 PolarHBondContact O-N 3.11Å; S86-L141 WeakPolarHBondContact CB-O 3.08Å; S86-L141 PolarHBondContact N-O 3.25Å; I105-L141 HydrophobicContact CD1-CD1 4.34Å; V139-L141 HydrophobicContact CG1-CD2 4.11Å; L141-L148 HydrophobicContact CD1-CD1 3.92Å; L141-L148 HydrophobicContact CD1-CD2 3.81Å; L141-L148 HydrophobicContact CD1-CG 4.4Å; L141-L148 HydrophobicContact CD2-CD1 3.61Å; L141-L148 HydrophobicContact CG-CD1 4.36Å; L141-I152 HydrophobicContact CD2-CD1 4.03Å; L141-I152 HydrophobicContact CD2-CG1 4.19Å |
| 142 | L | 90.8 | Very high | 91.5 | Very high | 29 Ų | 29 | 17.9 Ų | 17.9 | 15% | 0.152 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -43.3 | 179.1 | -61.6 | 174.6 | 0 | 0 | 0 | 111.8 | D57 L59 N88 A89 L140 F289 | D57-L142 HydrophobicContact CB-CB 4.17Å; D57-L142 WeakPolarHBondContact O-CB 3.49Å; D57-L142 PolarHBondContact O-N 3.2Å; D57-L142 WeakPolarHBondContact OD2-CD1 3.47Å; L59-L142 HydrophobicContact CB-CD1 4.39Å; N88-L142 CarbonylContact C-O 3.59Å; A89-L142 WeakPolarHBondContact CA-O 3.36Å; A89-L142 PolarHBondContact N-O 3.03Å; A89-L142 VanDerWaalsContact N-O 3.15Å; L140-L142 HydrophobicContact CD2-CD2 3.96Å; L140-L142 HydrophobicContact CG-CD2 4.15Å; L142-F289 HydrophobicContact CD1-CE1 3.99Å; L142-F289 HydrophobicContact CD1-CZ 4.3Å |
| 143 | E | 90.3 | Very high | 91.6 | Very high | 86 Ų | 86 | 18.2 Ų | 18.2 | 40% | 0.402 | 9% | 0.093 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.1 | 176.7 | -64.2 | -174.9 | 156.4 | 0 | 0 | 110.9 | H55 D57 | H55-E143 WeakPolarHBondContact O-CB 3.43Å; D57-E143 HydrophobicContact CB-CB 4.11Å; D57-E143 HydrophobicContact CB-CG 4.23Å; D57-E143 PolarHBondContact N-O 2.69Å; D57-E143 PolarHBondContact O-N 2.63Å; D57-E143 VanDerWaalsContact O-N 3.15Å |
| 144 | C | 86.6 | Confident | 91.7 | Very high | 24 Ų | 24 | 17.8 Ų | 17.8 | 16% | 0.162 | 9% | 0.092 | C | C | . | . | trans | -119.4 | 103.5 | 177.3 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | A89 T90 L216 | A89-C144 HydrophobicContact CB-CB 4.25Å; T90-C144 HydrophobicContact CG2-CB 4.3Å; C144-L216 WeakPolarHBondContact O-CD1 3.48Å | ||
| 145 | G | 83.5 | Confident | 91.9 | Very high | 9 Ų | 9 | 17.7 Ų | 17.7 | 9% | 0.093 | 9% | 0.091 | C | C | . | . | trans | -121 | 22.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R33 H55 T56 | R33-G145 PolarHBondContact NH1-O 3.06Å; R33-G145 PolarHBondContact NH2-O 3.48Å; H55-G145 WeakPolarHBondContact O-CA 3.39Å; H55-G145 PolarHBondContact O-N 2.78Å; T56-G145 VanDerWaalsContact OG1-CA 3.23Å; T56-G145 WeakPolarHBondContact OG1-CA 3.44Å; T56-G145 PolarHBondContact OG1-N 3.4Å | ||
| 146 | G | 85 | Confident | 91.9 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 90.4 | 167.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T56 L148 | T56-G146 PolarHBondContact OG1-O 3.24Å; G146-L148 VanDerWaalsContact C-N 3.31Å; G146-L148 PolarHBondContact O-N 3.09Å |
| 147 | N | 89.4 | Confident | 91.8 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | trans | 50 | 45.8 | 179.7 | -164.7 | 24.6 | 0 | 0 | 0 | 114.9 | Y32 F149 D150 A151 T202 D213 A214 E219 | Y32-N147 WeakPolarHBondContact CE1-ND2 3.35Å; N147-F149 PolarHBondContact O-N 3.25Å; N147-D150 WeakPolarHBondContact ND2-CB 3.45Å; N147-D150 VanDerWaalsContact OD1-CB 3.25Å; N147-D150 WeakPolarHBondContact OD1-CB 3.5Å; N147-A151 PolarHBondContact O-N 3.23Å; N147-T202 WeakPolarHBondContact OD1-CB 3.39Å; N147-T202 PolarHBondContact OD1-OG1 2.86Å; N147-T202 VanDerWaalsContact OD1-OG1 3.05Å; N147-D213 WeakPolarHBondContact CB-OD1 3.47Å; N147-D213 WeakPolarHBondContact ND2-CA 3.41Å; N147-D213 PolarHBondContact ND2-OD1 3.5Å; N147-A214 PolarHBondContact N-O 2.78Å; N147-E219 PolarHBondContact N-OE1 2.96Å | ||
| 148 | L | 90.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 14.8 Ų | 14.8 | 4% | 0.042 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | -174.7 | -176.5 | 61.3 | 0 | 0 | 0 | 112.9 | T56 I58 L101 I105 L141 G146 D150 A151 I152 | T56-L148 HydrophobicContact CG2-CD1 4.22Å; I58-L148 HydrophobicContact CD1-CD1 3.8Å; L101-L148 HydrophobicContact CD2-CD2 4.18Å; I105-L148 HydrophobicContact CD1-CD2 3.64Å; I105-L148 HydrophobicContact CD1-CG 4.36Å; L141-L148 HydrophobicContact CD1-CD1 3.92Å; L141-L148 HydrophobicContact CD1-CD2 3.81Å; L141-L148 HydrophobicContact CD1-CG 4.4Å; L141-L148 HydrophobicContact CD2-CD1 3.61Å; L141-L148 HydrophobicContact CG-CD1 4.36Å; G146-L148 VanDerWaalsContact C-N 3.31Å; G146-L148 PolarHBondContact O-N 3.09Å; L148-D150 VanDerWaalsContact C-N 3.29Å; L148-D150 PolarHBondContact O-N 3.01Å; L148-A151 PolarHBondContact O-N 2.95Å; L148-I152 HydrophobicContact CD1-CD1 4.02Å; L148-I152 HydrophobicContact CD1-CG1 4.28Å; L148-I152 HydrophobicContact CD2-CD1 4.46Å; L148-I152 HydrophobicContact CG-CD1 3.79Å; L148-I152 HydrophobicContact CG-CG1 4.41Å; L148-I152 VanDerWaalsContact O-CG1 3.26Å; L148-I152 WeakPolarHBondContact O-CG1 3.48Å; L148-I152 PolarHBondContact O-N 2.81Å |
| 149 | F | 92.8 | Very high | 91.6 | Very high | 9 Ų | 9 | 11.4 Ų | 11.4 | 4% | 0.039 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62 | -36.4 | -174.3 | -66.9 | -80.4 | 0 | 0 | 0 | 113.2 | I105 N147 S153 I200 L227 | I105-F149 HydrophobicContact CB-CE1 4.44Å; I105-F149 HydrophobicContact CG1-CD1 4.3Å; I105-F149 HydrophobicContact CG1-CE1 3.7Å; I105-F149 HydrophobicContact CG1-CZ 4.24Å; N147-F149 PolarHBondContact O-N 3.25Å; F149-S153 WeakPolarHBondContact O-CB 3.18Å; F149-S153 PolarHBondContact O-N 2.97Å; F149-I200 HydrophobicContact CB-CD1 4.3Å; F149-I200 HydrophobicContact CB-CG2 3.98Å; F149-L227 HydrophobicContact CB-CD2 3.8Å; F149-L227 HydrophobicContact CD1-CD1 4.38Å; F149-L227 HydrophobicContact CD2-CD1 4.13Å; F149-L227 HydrophobicContact CD2-CD2 3.72Å; F149-L227 HydrophobicContact CE1-CD1 4.4Å; F149-L227 HydrophobicContact CE2-CD1 4.17Å; F149-L227 HydrophobicContact CE2-CD2 4.48Å; F149-L227 HydrophobicContact CG-CD1 4.24Å; F149-L227 HydrophobicContact CG-CD2 3.81Å; F149-L227 HydrophobicContact CZ-CD1 4.3Å |
| 150 | D | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -69.2 | -51.3 | 179.8 | -164.6 | -20.5 | 0 | 0 | 0 | 110.7 | Y32 N147 L148 I152 S153 I154 I200 | Y32-D150 WeakPolarHBondContact CE1-OD2 2.99Å; Y32-D150 PolarHBondContact OH-OD2 3.09Å; N147-D150 WeakPolarHBondContact ND2-CB 3.45Å; N147-D150 VanDerWaalsContact OD1-CB 3.25Å; N147-D150 WeakPolarHBondContact OD1-CB 3.5Å; L148-D150 VanDerWaalsContact C-N 3.29Å; L148-D150 PolarHBondContact O-N 3.01Å; D150-I152 VanDerWaalsContact C-N 3.27Å; D150-I152 PolarHBondContact O-N 3.3Å; D150-S153 WeakPolarHBondContact O-CA 3.33Å; D150-S153 WeakPolarHBondContact O-CB 3.36Å; D150-S153 PolarHBondContact O-N 2.97Å; D150-S153 PolarHBondContact O-OG 3.49Å; D150-I154 WeakPolarHBondContact O-CG1 3.35Å; D150-I154 PolarHBondContact O-N 3.25Å; D150-I154 WeakPolarHBondContact OD1-CD1 3.27Å; D150-I200 VanDerWaalsContact CA-O 3.32Å; D150-I200 WeakPolarHBondContact CA-O 3.3Å; D150-I200 VanDerWaalsContact CB-O 3.24Å; D150-I200 WeakPolarHBondContact CB-O 3.48Å; D150-I200 VanDerWaalsContact OD1-O 3.08Å |
| 151 | A | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -55.8 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | V51 L53 T56 I58 N147 L148 S153 I154 A155 | V51-A151 HydrophobicContact CG1-CB 4.48Å; L53-A151 HydrophobicContact CB-CB 4.32Å; L53-A151 HydrophobicContact CD1-CB 4.35Å; T56-A151 HydrophobicContact CG2-CB 4.16Å; I58-A151 HydrophobicContact CD1-CB 3.49Å; I58-A151 VanDerWaalsContact CD1-CB 3.49Å; I58-A151 HydrophobicContact CG1-CB 4.42Å; N147-A151 PolarHBondContact O-N 3.23Å; L148-A151 PolarHBondContact O-N 2.95Å; A151-S153 VanDerWaalsContact C-N 3.35Å; A151-S153 PolarHBondContact O-N 3.47Å; A151-I154 PolarHBondContact O-N 2.91Å; A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 3.49Å |
| 152 | I | 94.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 173.9 | -65.5 | 174.8 | 0 | 0 | 0 | 110.8 | I58 I105 L109 V139 L141 L148 D150 I154 A155 V156 | I58-I152 HydrophobicContact CD1-CB 4.46Å; I58-I152 HydrophobicContact CD1-CG1 3.49Å; I58-I152 VanDerWaalsContact CD1-CG1 3.49Å; I58-I152 HydrophobicContact CG2-CG1 4.39Å; I105-I152 HydrophobicContact CD1-CD1 3.86Å; I105-I152 HydrophobicContact CG1-CD1 4.34Å; I105-I152 HydrophobicContact CG2-CD1 3.55Å; I105-I152 HydrophobicContact CG2-CG2 4.38Å; L109-I152 HydrophobicContact CD1-CG2 4.11Å; L109-I152 HydrophobicContact CD2-CG2 4.25Å; V139-I152 HydrophobicContact CG1-CD1 4.28Å; V139-I152 HydrophobicContact CG1-CG1 4.08Å; V139-I152 HydrophobicContact CG1-CG2 4.06Å; V139-I152 HydrophobicContact CG2-CG2 4.18Å; L141-I152 HydrophobicContact CD2-CD1 4.03Å; L141-I152 HydrophobicContact CD2-CG1 4.19Å; L148-I152 HydrophobicContact CD1-CD1 4.02Å; L148-I152 HydrophobicContact CD1-CG1 4.28Å; L148-I152 HydrophobicContact CD2-CD1 4.46Å; L148-I152 HydrophobicContact CG-CD1 3.79Å; L148-I152 HydrophobicContact CG-CG1 4.41Å; L148-I152 VanDerWaalsContact O-CG1 3.26Å; L148-I152 WeakPolarHBondContact O-CG1 3.48Å; L148-I152 PolarHBondContact O-N 2.81Å; D150-I152 VanDerWaalsContact C-N 3.27Å; D150-I152 PolarHBondContact O-N 3.3Å; I152-I154 VanDerWaalsContact C-N 3.33Å; I152-I154 PolarHBondContact O-N 3.48Å; I152-A155 PolarHBondContact O-N 3.46Å; I152-V156 HydrophobicContact CG2-CG2 4.1Å; I152-V156 WeakPolarHBondContact O-CB 3.39Å; I152-V156 VanDerWaalsContact O-CG2 3.27Å; I152-V156 WeakPolarHBondContact O-CG2 3.48Å; I152-V156 PolarHBondContact O-N 3.12Å |
| 153 | S | 93.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 10.9 Ų | 10.9 | 4% | 0.042 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.5 | -38.2 | -179.4 | 82.6 | 0 | 0 | 0 | 0 | 112.7 | F149 D150 A151 K157 I200 | F149-S153 WeakPolarHBondContact O-CB 3.18Å; F149-S153 PolarHBondContact O-N 2.97Å; D150-S153 WeakPolarHBondContact O-CA 3.33Å; D150-S153 WeakPolarHBondContact O-CB 3.36Å; D150-S153 PolarHBondContact O-N 2.97Å; D150-S153 PolarHBondContact O-OG 3.49Å; A151-S153 VanDerWaalsContact C-N 3.35Å; A151-S153 PolarHBondContact O-N 3.47Å; S153-K157 WeakPolarHBondContact O-CB 3.37Å; S153-K157 PolarHBondContact O-N 3.4Å; S153-I200 PolarHBondContact OG-N 3.32Å |
| 154 | I | 93.3 | Very high | 91 | Very high | 4 Ų | 4 | 9 Ų | 9 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.2 | -47.5 | 173.9 | -63.8 | 172.1 | 0 | 0 | 0 | 109.6 | V35 V37 V51 D150 A151 I152 K157 A158 L266 L270 | V35-I154 HydrophobicContact CG2-CD1 4.34Å; V37-I154 HydrophobicContact CG2-CG2 3.92Å; V51-I154 HydrophobicContact CG1-CG2 4.26Å; V51-I154 HydrophobicContact CG2-CB 4.43Å; V51-I154 HydrophobicContact CG2-CG2 3.91Å; D150-I154 WeakPolarHBondContact O-CG1 3.35Å; D150-I154 PolarHBondContact O-N 3.25Å; D150-I154 WeakPolarHBondContact OD1-CD1 3.27Å; A151-I154 PolarHBondContact O-N 2.91Å; I152-I154 VanDerWaalsContact C-N 3.33Å; I152-I154 PolarHBondContact O-N 3.48Å; I154-K157 PolarHBondContact O-N 2.96Å; I154-A158 WeakPolarHBondContact O-CB 3.44Å; I154-A158 PolarHBondContact O-N 3.09Å; I154-L266 HydrophobicContact CD1-CD1 4.21Å; I154-L266 HydrophobicContact CD1-CD2 3.98Å; I154-L266 HydrophobicContact CD1-CG 4.39Å; I154-L266 HydrophobicContact CG1-CD2 3.82Å; I154-L270 HydrophobicContact CG2-CD1 3.89Å; I154-L270 HydrophobicContact CG2-CD2 4.18Å |
| 155 | A | 94.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V51 I58 V60 A151 I152 K157 A158 A159 | V51-A155 HydrophobicContact CB-CB 4.05Å; V51-A155 HydrophobicContact CG2-CB 3.53Å; I58-A155 HydrophobicContact CG2-CB 4.34Å; V60-A155 HydrophobicContact CB-CB 4.25Å; V60-A155 HydrophobicContact CG2-CB 3.43Å; V60-A155 VanDerWaalsContact CG2-CB 3.43Å; A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 3.49Å; I152-A155 PolarHBondContact O-N 3.46Å; A155-K157 VanDerWaalsContact C-N 3.34Å; A155-K157 PolarHBondContact O-N 3.22Å; A155-A158 PolarHBondContact O-N 2.91Å; A155-A159 VanDerWaalsContact O-CB 3.27Å; A155-A159 WeakPolarHBondContact O-CB 3.27Å; A155-A159 PolarHBondContact O-N 2.9Å |
| 156 | V | 93.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.012 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | V60 F81 L109 F113 V137 V139 I152 A159 L160 | V60-V156 HydrophobicContact CG1-CG2 4.3Å; V60-V156 HydrophobicContact CG2-CG2 4.42Å; F81-V156 HydrophobicContact CE1-CG1 4.27Å; L109-V156 HydrophobicContact CD2-CG2 4.47Å; F113-V156 HydrophobicContact CE2-CG1 4Å; F113-V156 HydrophobicContact CZ-CG1 3.78Å; V137-V156 HydrophobicContact CG1-CG1 4.37Å; V137-V156 HydrophobicContact CG1-CG2 4.08Å; V139-V156 HydrophobicContact CG2-CG2 4.11Å; I152-V156 HydrophobicContact CG2-CG2 4.1Å; I152-V156 WeakPolarHBondContact O-CB 3.39Å; I152-V156 VanDerWaalsContact O-CG2 3.27Å; I152-V156 WeakPolarHBondContact O-CG2 3.48Å; I152-V156 PolarHBondContact O-N 3.12Å; V156-A159 PolarHBondContact O-N 2.8Å; V156-L160 HydrophobicContact CG1-CD1 3.86Å; V156-L160 HydrophobicContact CG1-CG 4.38Å; V156-L160 WeakPolarHBondContact O-CB 3.34Å; V156-L160 VanDerWaalsContact O-CG 3.26Å; V156-L160 WeakPolarHBondContact O-CG 3.41Å; V156-L160 PolarHBondContact O-N 3.21Å |
| 157 | K | 92.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.009 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 177.5 | -179.5 | 164.2 | 177.9 | 161.2 | 0 | 112.4 | S153 I154 A155 F161 V194 V197 H267 L270 | S153-K157 WeakPolarHBondContact O-CB 3.37Å; S153-K157 PolarHBondContact O-N 3.4Å; I154-K157 PolarHBondContact O-N 2.96Å; A155-K157 VanDerWaalsContact C-N 3.34Å; A155-K157 PolarHBondContact O-N 3.22Å; K157-F161 WeakPolarHBondContact O-CB 3.46Å; K157-F161 PolarHBondContact O-N 3.16Å; K157-V194 PolarHBondContact NZ-O 2.77Å; K157-V197 HydrophobicContact CB-CG1 3.92Å; K157-V197 HydrophobicContact CD-CB 4.17Å; K157-V197 HydrophobicContact CD-CG1 4.07Å; K157-V197 HydrophobicContact CG-CB 4.27Å; K157-V197 HydrophobicContact CG-CG1 3.95Å; K157-V197 PolarHBondContact NZ-O 3.28Å; K157-V197 VanDerWaalsContact NZ-O 3.16Å; K157-H267 PolarHBondContact NZ-CE1 2.62Å; K157-H267 PolarHBondContact NZ-ND1 3.05Å; K157-L270 HydrophobicContact CB-CD2 4.24Å; K157-L270 HydrophobicContact CD-CD2 3.82Å; K157-L270 HydrophobicContact CG-CD2 3.98Å |
| 158 | A | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V37 T39 A49 I154 A155 F161 N162 L274 | V37-A158 HydrophobicContact CG1-CB 3.89Å; T39-A158 HydrophobicContact CG2-CB 4.31Å; A49-A158 HydrophobicContact CB-CB 3.68Å; I154-A158 WeakPolarHBondContact O-CB 3.44Å; I154-A158 PolarHBondContact O-N 3.09Å; A155-A158 PolarHBondContact O-N 2.91Å; A158-F161 WeakPolarHBondContact O-CB 3.43Å; A158-F161 PolarHBondContact O-N 2.69Å; A158-N162 PolarHBondContact O-N 3.43Å; A158-N162 VanDerWaalsContact O-N 3.09Å; A158-L274 HydrophobicContact CB-CD2 4.07Å |
| 159 | A | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A49 V60 V62 A155 V156 F161 N162 T163 | A49-A159 HydrophobicContact CB-CB 3.88Å; V60-A159 HydrophobicContact CB-CB 4.16Å; V60-A159 HydrophobicContact CG1-CB 3.76Å; V62-A159 HydrophobicContact CG2-CB 3.72Å; A155-A159 VanDerWaalsContact O-CB 3.27Å; A155-A159 WeakPolarHBondContact O-CB 3.27Å; A155-A159 PolarHBondContact O-N 2.9Å; V156-A159 PolarHBondContact O-N 2.8Å; A159-F161 VanDerWaalsContact C-N 3.33Å; A159-F161 PolarHBondContact O-N 3.36Å; A159-N162 CarbonylContact O-C 3.56Å; A159-N162 PolarHBondContact O-N 3.34Å; A159-T163 PolarHBondContact O-N 3.46Å; A159-T163 PolarHBondContact O-OG1 2.84Å |
| 160 | L | 91 | Very high | 89.5 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.7 | -35.4 | 174.6 | -74.3 | 170.9 | 0 | 0 | 0 | 112.4 | L79 F113 L135 V156 N162 T163 L192 V194 V197 | L79-L160 HydrophobicContact CD2-CD2 4.33Å; F113-L160 HydrophobicContact CE1-CD1 4.03Å; F113-L160 HydrophobicContact CZ-CD1 4.04Å; L135-L160 HydrophobicContact CD1-CD2 4.43Å; V156-L160 HydrophobicContact CG1-CD1 3.86Å; V156-L160 HydrophobicContact CG1-CG 4.38Å; V156-L160 WeakPolarHBondContact O-CB 3.34Å; V156-L160 VanDerWaalsContact O-CG 3.26Å; V156-L160 WeakPolarHBondContact O-CG 3.41Å; V156-L160 PolarHBondContact O-N 3.21Å; L160-N162 VanDerWaalsContact C-N 3.32Å; L160-T163 WeakPolarHBondContact CA-OG1 3.32Å; L160-T163 PolarHBondContact O-N 2.74Å; L160-L192 HydrophobicContact CD2-CD1 4.37Å; L160-V194 HydrophobicContact CB-CG1 4.03Å; L160-V197 HydrophobicContact CD1-CG1 4.49Å; L160-V197 HydrophobicContact CD1-CG2 4.44Å |
| 161 | F | 90.9 | Very high | 88.7 | Confident | 34 Ų | 34 | 30.4 Ų | 30.4 | 15% | 0.149 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 175.6 | 179.2 | -102.8 | 0 | 0 | 0 | 111.5 | K157 A158 A159 T163 V194 L274 | K157-F161 WeakPolarHBondContact O-CB 3.46Å; K157-F161 PolarHBondContact O-N 3.16Å; A158-F161 WeakPolarHBondContact O-CB 3.43Å; A158-F161 PolarHBondContact O-N 2.69Å; A159-F161 VanDerWaalsContact C-N 3.33Å; A159-F161 PolarHBondContact O-N 3.36Å; F161-T163 VanDerWaalsContact C-N 3.29Å; F161-T163 PolarHBondContact O-N 2.83Å; F161-V194 HydrophobicContact CB-CG1 4.08Å; F161-V194 HydrophobicContact CB-CG2 4.09Å; F161-V194 HydrophobicContact CD2-CG2 3.55Å; F161-V194 HydrophobicContact CE2-CG2 4.47Å; F161-V194 HydrophobicContact CG-CG2 4.27Å; F161-L274 HydrophobicContact CB-CD1 4.1Å; F161-L274 HydrophobicContact CD1-CB 3.9Å; F161-L274 HydrophobicContact CD1-CD1 4Å; F161-L274 HydrophobicContact CD1-CD2 4.06Å; F161-L274 HydrophobicContact CD1-CG 4.21Å; F161-L274 HydrophobicContact CE1-CB 3.76Å; F161-L274 HydrophobicContact CG-CD1 3.98Å; F161-L274 HydrophobicContact CZ-CB 4.32Å |
| 162 | N | 89.8 | Confident | 87.6 | Confident | 37 Ų | 37 | 37.1 Ų | 37.1 | 20% | 0.198 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.7 | 178.4 | -168.2 | 41.7 | 0 | 0 | 0 | 113.6 | D40 S48 A158 A159 L160 S164 | D40-N162 WeakPolarHBondContact CA-ND2 3.4Å; D40-N162 VanDerWaalsContact CB-ND2 3.33Å; D40-N162 WeakPolarHBondContact CB-ND2 3.3Å; D40-N162 PolarHBondContact N-ND2 3.18Å; S48-N162 PolarHBondContact O-ND2 2.86Å; A158-N162 PolarHBondContact O-N 3.43Å; A158-N162 VanDerWaalsContact O-N 3.09Å; A159-N162 CarbonylContact O-C 3.56Å; A159-N162 PolarHBondContact O-N 3.34Å; L160-N162 VanDerWaalsContact C-N 3.32Å; N162-S164 PolarHBondContact O-N 2.92Å |
| 163 | T | 90.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -73.1 | 119.7 | -178.5 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | S46 V62 A159 L160 F161 I165 L192 | S46-T163 WeakPolarHBondContact O-CA 3.48Å; V62-T163 HydrophobicContact CG1-CG2 3.99Å; A159-T163 PolarHBondContact O-N 3.46Å; A159-T163 PolarHBondContact O-OG1 2.84Å; L160-T163 WeakPolarHBondContact CA-OG1 3.32Å; L160-T163 PolarHBondContact O-N 2.74Å; F161-T163 VanDerWaalsContact C-N 3.29Å; F161-T163 PolarHBondContact O-N 2.83Å; T163-I165 HydrophobicContact CG2-CG1 3.91Å; T163-L192 HydrophobicContact CG2-CD1 4.25Å | ||
| 164 | S | 87.7 | Confident | 85 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 34% | 0.336 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 115.2 | 171.4 | 51.1 | 0 | 0 | 0 | 0 | 109.7 | S46 N162 | S46-S164 PolarHBondContact O-N 3.25Å; S46-S164 PolarHBondContact O-OG 3.28Å; N162-S164 PolarHBondContact O-N 2.92Å |
| 165 | I | 88.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.8 | 178.3 | -51.1 | 170.3 | 0 | 0 | 0 | 107.8 | A64 L124 W133 L135 T163 C189 I190 L192 | A64-I165 HydrophobicContact CB-CG1 4.09Å; A64-I165 HydrophobicContact CB-CG2 4.19Å; L124-I165 HydrophobicContact CD2-CD1 3.41Å; L124-I165 VanDerWaalsContact CD2-CD1 3.41Å; W133-I165 HydrophobicContact CD2-CG2 3.68Å; W133-I165 VanDerWaalsContact CE2-CG2 3.49Å; W133-I165 HydrophobicContact CE3-CG2 4.01Å; W133-I165 HydrophobicContact CG-CG2 4.21Å; W133-I165 HydrophobicContact CH2-CG2 3.97Å; W133-I165 HydrophobicContact CZ2-CG2 3.64Å; W133-I165 HydrophobicContact CZ3-CG2 4.15Å; L135-I165 HydrophobicContact CD2-CD1 3.87Å; L135-I165 HydrophobicContact CD2-CG1 4.44Å; T163-I165 HydrophobicContact CG2-CG1 3.91Å; I165-C189 CarbonylContact O-C 3.6Å; I165-C189 VanDerWaalsContact O-CA 3.22Å; I165-C189 WeakPolarHBondContact O-CA 3.46Å; I165-I190 HydrophobicContact CB-CD1 4.05Å; I165-I190 HydrophobicContact CB-CG1 3.6Å; I165-I190 HydrophobicContact CD1-CD1 4.29Å; I165-I190 HydrophobicContact CD1-CG1 4.38Å; I165-I190 HydrophobicContact CG1-CG1 4.41Å; I165-I190 HydrophobicContact CG2-CD1 4.21Å; I165-I190 HydrophobicContact CG2-CG1 4.21Å; I165-I190 PolarHBondContact N-O 2.8Å; I165-I190 WeakPolarHBondContact O-CG1 3.5Å; I165-I190 PolarHBondContact O-N 2.92Å; I165-L192 HydrophobicContact CD1-CD1 4.11Å; I165-L192 HydrophobicContact CD1-CD2 4.49Å; I165-L192 HydrophobicContact CD1-CG 4.31Å |
| 166 | P | 85.3 | Confident | 82.3 | Confident | 52 Ų | 52 | 62 Ų | 62 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 143.3 | 178.5 | 27.8 | -34.4 | 0 | 0 | 0 | 110.7 | W133 | W133-P166 HydrophobicContact CH2-CG 3.94Å; W133-P166 HydrophobicContact CZ2-CG 4.35Å; W133-P166 WeakPolarHBondContact CZ2-O 3.28Å |
| 167 | R | 83.2 | Confident | 81.1 | Confident | 129 Ų | 129 | 64.5 Ų | 64.5 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 135 | 170.7 | -74.2 | -163.6 | -161 | -107.3 | -4.7 | 110.6 | S183 D188 I190 | R167-S183 PolarHBondContact O-N 2.87Å; R167-D188 WeakPolarHBondContact CD-OD1 3.31Å; R167-D188 IonicContact CZ-OD2 3.24Å; R167-D188 PolarHBondContact N-O 2.86Å; R167-D188 IonicContact NE-OD1 2.75Å; R167-D188 IonicContact NE-OD2 3.64Å; R167-D188 PolarHBondContact NE-OD2 3.01Å; R167-I190 HydrophobicContact CG-CG2 3.75Å |
| 168 | V | 82.8 | Confident | 79.9 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 13% | 0.127 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 138.9 | 178.5 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | M66 I126 W133 I180 E181 L182 | M66-V168 HydrophobicContact CE-CB 4.45Å; M66-V168 HydrophobicContact CE-CG1 3.74Å; M66-V168 HydrophobicContact SD-CG1 4.41Å; M66-V168 HydrophobicContact SD-CG2 4.24Å; I126-V168 HydrophobicContact CD1-CG2 3.48Å; I126-V168 VanDerWaalsContact CD1-CG2 3.48Å; I126-V168 HydrophobicContact CG1-CG2 3.79Å; I126-V168 HydrophobicContact CG2-CG2 4.08Å; W133-V168 HydrophobicContact CH2-CG1 4.19Å; W133-V168 HydrophobicContact CZ2-CB 4.33Å; W133-V168 HydrophobicContact CZ2-CG1 3.65Å; W133-V168 HydrophobicContact CZ2-CG2 3.68Å; V168-I180 HydrophobicContact CB-CG2 4.07Å; V168-I180 HydrophobicContact CG1-CG2 4.41Å; V168-E181 WeakPolarHBondContact CA-O 3.44Å; V168-L182 HydrophobicContact CB-CD2 4.4Å; V168-L182 HydrophobicContact CG1-CD2 3.34Å |
| 169 | R | 78.4 | Confident | 79.1 | Confident | 182 Ų | 182 | 72.3 Ų | 72.3 | 69% | 0.687 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.1 | 173.4 | -63.8 | -177.6 | -176.8 | 177.7 | 4.1 | 107.5 | E181 | R169-E181 PolarHBondContact N-O 3.3Å; R169-E181 PolarHBondContact O-N 3.44Å |
| 170 | V | 77.9 | Confident | 78.4 | Confident | 34 Ų | 34 | 75.7 Ų | 75.7 | 21% | 0.206 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117 | 172 | 178.4 | 0 | 0 | 0 | 0 | 106.3 | I126 K178 I180 | I126-V170 HydrophobicContact CG2-CB 4.46Å; I126-V170 HydrophobicContact CG2-CG2 3.5Å; I126-V170 VanDerWaalsContact CG2-CG2 3.5Å; V170-K178 HydrophobicContact CG1-CB 4.31Å; V170-K178 HydrophobicContact CG1-CD 4.45Å; V170-I180 HydrophobicContact CG2-CG1 4.49Å |
| 171 | L | 76.6 | Confident | 77.8 | Confident | 84 Ų | 84 | 80.4 Ų | 80.4 | 44% | 0.44 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.8 | 168.6 | -63.1 | -178.4 | 0 | 0 | 0 | 107.8 | K178 D179 E181 | L171-K178 WeakPolarHBondContact O-CA 3.26Å; L171-D179 PolarHBondContact N-O 3.38Å; L171-D179 PolarHBondContact O-N 3.26Å; L171-E181 HydrophobicContact CD1-CG 3.98Å; L171-E181 WeakPolarHBondContact CD1-OE1 3.36Å; L171-E181 WeakPolarHBondContact CD1-OE2 3.39Å; L171-E181 HydrophobicContact CG-CG 4.44Å |
| 172 | E | 71.6 | Confident | 77.1 | Confident | 141 Ų | 141 | 83.9 Ų | 83.9 | 66% | 0.659 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 116.4 | 169.8 | -62.5 | -175.5 | 114.5 | 0 | 0 | 107.3 | K178 | E172-K178 HydrophobicContact CG-CD 4.36Å; E172-K178 HydrophobicContact CG-CG 4.33Å; E172-K178 WeakPolarHBondContact OE1-CE 3.16Å; E172-K178 IonicContact OE1-NZ 2.68Å; E172-K178 PolarHBondContact OE1-NZ 2.92Å |
| 173 | D | 69.6 | Low | 76.4 | Confident | 87 Ų | 87 | 84.4 Ų | 84.4 | 47% | 0.465 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 156.2 | 174.9 | -158.3 | 18.3 | 0 | 0 | 0 | 110.9 | E175 G176 S177 | D173-E175 PolarHBondContact O-N 3.04Å; D173-E175 VanDerWaalsContact O-N 3.1Å; D173-G176 PolarHBondContact O-N 3.48Å; D173-S177 WeakPolarHBondContact CB-O 3.45Å; D173-S177 PolarHBondContact N-O 2.73Å |
| 174 | E | 61.4 | Low | 75.4 | Confident | 202 Ų | 202 | 92.1 Ų | 92.1 | 94% | 0.944 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.1 | -175.4 | -64.4 | -164.5 | 125.7 | 0 | 0 | 113.1 | ||
| 175 | E | 66.1 | Low | 74.8 | Confident | 184 Ų | 184 | 94.9 Ų | 94.9 | 86% | 0.86 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.2 | 174.4 | -77 | 178.5 | 59.7 | 0 | 0 | 114.1 | D173 S177 | D173-E175 PolarHBondContact O-N 3.04Å; D173-E175 VanDerWaalsContact O-N 3.1Å; E175-S177 VanDerWaalsContact C-N 3.34Å |
| 176 | G | 64.8 | Low | 74 | Confident | 61 Ų | 61 | 99.7 Ų | 99.7 | 63% | 0.629 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 81.8 | 6.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | D173 | D173-G176 PolarHBondContact O-N 3.48Š|
| 177 | S | 68.4 | Low | 73.4 | Confident | 54 Ų | 54 | 107.7 Ų | 107.7 | 38% | 0.378 | 54% | 0.542 | S | S | . | . | trans | -74.7 | 135.6 | 163.4 | 38.8 | 0 | 0 | 0 | 0 | 110.2 | D173 E175 | D173-S177 WeakPolarHBondContact CB-O 3.45Å; D173-S177 PolarHBondContact N-O 2.73Å; E175-S177 VanDerWaalsContact C-N 3.34Å | ||
| 178 | K | 68.3 | Low | 73 | Confident | 67 Ų | 67 | 104.1 Ų | 104.1 | 29% | 0.291 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 116.1 | 178.5 | -63.1 | -171.9 | 178.3 | -163 | 0 | 109 | E130 V170 L171 E172 | E130-K178 VanDerWaalsContact CD-CD 3.48Å; E130-K178 WeakPolarHBondContact OE1-CD 3.33Å; E130-K178 WeakPolarHBondContact OE1-CE 3.02Å; E130-K178 IonicContact OE1-NZ 3.69Å; E130-K178 PolarHBondContact OE1-NZ 2.91Å; E130-K178 WeakPolarHBondContact OE2-CD 3.26Å; E130-K178 IonicContact OE2-NZ 2.89Å; E130-K178 PolarHBondContact OE2-NZ 3.04Å; V170-K178 HydrophobicContact CG1-CB 4.31Å; V170-K178 HydrophobicContact CG1-CD 4.45Å; L171-K178 WeakPolarHBondContact O-CA 3.26Å; E172-K178 HydrophobicContact CG-CD 4.36Å; E172-K178 HydrophobicContact CG-CG 4.33Å; E172-K178 WeakPolarHBondContact OE1-CE 3.16Å; E172-K178 IonicContact OE1-NZ 2.68Å; E172-K178 PolarHBondContact OE1-NZ 2.92Å |
| 179 | D | 75.8 | Confident | 72.9 | Confident | 100 Ų | 100 | 105 Ų | 105 | 54% | 0.535 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134 | 176.3 | -71 | -50.1 | 0 | 0 | 0 | 109.5 | L171 | L171-D179 PolarHBondContact N-O 3.38Å; L171-D179 PolarHBondContact O-N 3.26Å |
| 180 | I | 77.6 | Confident | 73.1 | Confident | 71 Ų | 71 | 97.6 Ų | 97.6 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 106 | 178.1 | -55.9 | 172.4 | 0 | 0 | 0 | 107.2 | M66 V168 V170 L182 | M66-I180 HydrophobicContact CE-CG2 4.01Å; M66-I180 HydrophobicContact SD-CD1 3.98Å; M66-I180 HydrophobicContact SD-CG2 3.96Å; V168-I180 HydrophobicContact CB-CG2 4.07Å; V168-I180 HydrophobicContact CG1-CG2 4.41Å; V170-I180 HydrophobicContact CG2-CG1 4.49Å; I180-L182 HydrophobicContact CG2-CD2 4.34Å |
| 181 | E | 78.5 | Confident | 73.4 | Confident | 101 Ų | 101 | 103 Ų | 103 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 119.8 | 172.2 | -68.8 | -170.7 | 150.5 | 0 | 0 | 109.5 | V168 R169 L171 | V168-E181 WeakPolarHBondContact CA-O 3.44Å; R169-E181 PolarHBondContact N-O 3.3Å; R169-E181 PolarHBondContact O-N 3.44Å; L171-E181 HydrophobicContact CD1-CG 3.98Å; L171-E181 WeakPolarHBondContact CD1-OE1 3.36Å; L171-E181 WeakPolarHBondContact CD1-OE2 3.39Å; L171-E181 HydrophobicContact CG-CG 4.44Å |
| 182 | L | 77.4 | Confident | 73.7 | Confident | 107 Ų | 107 | 99.9 Ų | 99.9 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 141.8 | 168.1 | -55.9 | -177.2 | 0 | 0 | 0 | 108.6 | M66 V168 I180 D184 | M66-L182 HydrophobicContact CE-CD2 4.05Å; V168-L182 HydrophobicContact CB-CD2 4.4Å; V168-L182 HydrophobicContact CG1-CD2 3.34Å; I180-L182 HydrophobicContact CG2-CD2 4.34Å; L182-D184 PolarHBondContact O-N 2.77Å |
| 183 | S | 74.9 | Confident | 74 | Confident | 48 Ų | 48 | 96.3 Ų | 96.3 | 34% | 0.336 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 128.3 | 167.4 | -162.6 | 0 | 0 | 0 | 0 | 109.4 | R167 D185 D188 | R167-S183 PolarHBondContact O-N 2.87Å; S183-D185 PolarHBondContact O-N 2.83Å; S183-D188 PolarHBondContact OG-OD1 2.89Å |
| 184 | D | 69.9 | Low | 74.6 | Confident | 162 Ų | 162 | 92.5 Ų | 92.5 | 87% | 0.866 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -68.9 | -14.2 | 176.5 | -80.5 | -45.4 | 0 | 0 | 0 | 112.6 | L182 P186 | L182-D184 PolarHBondContact O-N 2.77Å; D184-P186 WeakPolarHBondContact O-CD 3.5Å |
| 185 | D | 73.9 | Confident | 75.6 | Confident | 105 Ų | 105 | 89 Ų | 89 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | trans | -83.1 | 109.6 | 178.1 | -76.9 | -68.3 | 0 | 0 | 0 | 111.2 | S183 Y187 D188 | S183-D185 PolarHBondContact O-N 2.83Å; D185-Y187 PolarHBondContact O-N 3.08Å; D185-D188 HydrophobicContact CB-CB 3.91Å; D185-D188 PolarHBondContact O-N 2.94Å | ||
| 186 | P | 70.5 | Confident | 76.5 | Confident | 101 Ų | 101 | 81.9 Ų | 81.9 | 66% | 0.656 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10.4 | 178.7 | 28.6 | -35.5 | 0 | 0 | 0 | 113.4 | D184 | D184-P186 WeakPolarHBondContact O-CD 3.5Š|
| 187 | Y | 73.5 | Confident | 77.6 | Confident | 221 Ų | 221 | 79 Ų | 79 | 87% | 0.867 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -14 | 175.9 | -62 | -79.4 | 0 | 0 | 0 | 113 | D185 C189 | D185-Y187 PolarHBondContact O-N 3.08Å; Y187-C189 PolarHBondContact O-N 3.31Å |
| 188 | D | 75.2 | Confident | 78.6 | Confident | 54 Ų | 54 | 76.7 Ų | 76.7 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | trans | -84.9 | 65.6 | 177.4 | -173.4 | -138 | 0 | 0 | 0 | 110.6 | R167 S183 D185 | R167-D188 WeakPolarHBondContact CD-OD1 3.31Å; R167-D188 IonicContact CZ-OD2 3.24Å; R167-D188 PolarHBondContact N-O 2.86Å; R167-D188 IonicContact NE-OD1 2.75Å; R167-D188 IonicContact NE-OD2 3.64Å; R167-D188 PolarHBondContact NE-OD2 3.01Å; S183-D188 PolarHBondContact OG-OD1 2.89Å; D185-D188 HydrophobicContact CB-CB 3.91Å; D185-D188 PolarHBondContact O-N 2.94Å | ||
| 189 | C | 79.7 | Confident | 79.7 | Confident | 39 Ų | 39 | 73.5 Ų | 73.5 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 138.6 | 176.3 | -67.8 | 0 | 0 | 0 | 0 | 110.3 | I165 Y187 | I165-C189 CarbonylContact O-C 3.6Å; I165-C189 VanDerWaalsContact O-CA 3.22Å; I165-C189 WeakPolarHBondContact O-CA 3.46Å; Y187-C189 PolarHBondContact O-N 3.31Å |
| 190 | I | 83.3 | Confident | 80.5 | Confident | 27 Ų | 27 | 69 Ų | 69 | 14% | 0.138 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 138.3 | 166.9 | 64.3 | 175.2 | 0 | 0 | 0 | 108.8 | T123 I165 R167 | T123-I190 HydrophobicContact CG2-CD1 4.32Å; I165-I190 HydrophobicContact CB-CD1 4.05Å; I165-I190 HydrophobicContact CB-CG1 3.6Å; I165-I190 HydrophobicContact CD1-CD1 4.29Å; I165-I190 HydrophobicContact CD1-CG1 4.38Å; I165-I190 HydrophobicContact CG1-CG1 4.41Å; I165-I190 HydrophobicContact CG2-CD1 4.21Å; I165-I190 HydrophobicContact CG2-CG1 4.21Å; I165-I190 PolarHBondContact N-O 2.8Å; I165-I190 WeakPolarHBondContact O-CG1 3.5Å; I165-I190 PolarHBondContact O-N 2.92Å; R167-I190 HydrophobicContact CG-CG2 3.75Å |
| 191 | R | 84.1 | Confident | 81.3 | Confident | 148 Ų | 148 | 65.6 Ų | 65.6 | 56% | 0.558 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 144.5 | 171 | -70.9 | -173 | 176.4 | 174.7 | -2.6 | 109.9 | E278 | R191-E278 IonicContact CZ-OE1 3.68Å; R191-E278 IonicContact NH1-OE1 2.99Å; R191-E278 PolarHBondContact NH1-OE1 2.95Å; R191-E278 IonicContact NH1-OE2 2.69Å; R191-E278 IonicContact NH2-OE1 2.65Å |
| 192 | L | 82.4 | Confident | 82.1 | Confident | 17 Ų | 17 | 61 Ų | 61 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | trans | -85.3 | 140.1 | 180 | -66.2 | 157 | 0 | 0 | 0 | 110.4 | V119 L124 L135 L160 T163 I165 V194 | V119-L192 HydrophobicContact CG1-CD2 4.23Å; L124-L192 HydrophobicContact CD1-CD2 4.48Å; L124-L192 HydrophobicContact CD2-CD2 3.98Å; L124-L192 HydrophobicContact CG-CD2 4.25Å; L135-L192 HydrophobicContact CD1-CD1 3.66Å; L160-L192 HydrophobicContact CD2-CD1 4.37Å; T163-L192 HydrophobicContact CG2-CD1 4.25Å; I165-L192 HydrophobicContact CD1-CD1 4.11Å; I165-L192 HydrophobicContact CD1-CD2 4.49Å; I165-L192 HydrophobicContact CD1-CG 4.31Å; L192-V194 PolarHBondContact O-N 3.35Å | ||
| 193 | S | 79.3 | Confident | 82.9 | Confident | 66 Ų | 66 | 55.9 Ų | 55.9 | 46% | 0.462 | 29% | 0.286 | S | S | . | . | trans | -76.5 | 114 | 173 | 61.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 194 | V | 81.9 | Confident | 83.8 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | trans | -97.2 | 10.1 | -178.7 | -58.8 | 0 | 0 | 0 | 0 | 114.9 | K157 L160 F161 L192 N196 V197 | K157-V194 PolarHBondContact NZ-O 2.77Å; L160-V194 HydrophobicContact CB-CG1 4.03Å; F161-V194 HydrophobicContact CB-CG1 4.08Å; F161-V194 HydrophobicContact CB-CG2 4.09Å; F161-V194 HydrophobicContact CD2-CG2 3.55Å; F161-V194 HydrophobicContact CE2-CG2 4.47Å; F161-V194 HydrophobicContact CG-CG2 4.27Å; L192-V194 PolarHBondContact O-N 3.35Å; V194-N196 VanDerWaalsContact C-N 3.28Å; V194-N196 PolarHBondContact O-N 2.99Å; V194-V197 HydrophobicContact CB-CB 4.42Å; V194-V197 HydrophobicContact CB-CG2 4.03Å; V194-V197 HydrophobicContact CG1-CG2 4.34Å; V194-V197 WeakPolarHBondContact O-CB 3.31Å; V194-V197 PolarHBondContact O-N 2.79Å; V194-V197 VanDerWaalsContact O-N 3.17Å | ||
| 195 | E | 81.1 | Confident | 84.9 | Confident | 129 Ų | 129 | 47.2 Ų | 47.2 | 60% | 0.603 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -38.1 | -173.2 | -61 | -173.2 | 150.3 | 0 | 0 | 113 | S232 | E195-S232 PolarHBondContact O-OG 2.86Š|
| 196 | N | 85.3 | Confident | 85.7 | Confident | 34 Ų | 34 | 42.2 Ų | 42.2 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -0.2 | -178.5 | -61.7 | -40.6 | 0 | 0 | 0 | 113 | S117 V194 P198 K233 | S117-N196 WeakPolarHBondContact O-CB 3.18Å; S117-N196 PolarHBondContact O-ND2 3.42Å; V194-N196 VanDerWaalsContact C-N 3.28Å; V194-N196 PolarHBondContact O-N 2.99Å; N196-P198 VanDerWaalsContact O-CD 3.32Å; N196-P198 WeakPolarHBondContact O-CD 3.3Å; N196-K233 PolarHBondContact OD1-NZ 3.39Å |
| 197 | V | 88.3 | Confident | 86.5 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | trans | -65.3 | 119.9 | 174.5 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | F113 V119 K157 L160 V194 H267 | F113-V197 HydrophobicContact CE1-CG1 3.99Å; F113-V197 HydrophobicContact CE1-CG2 4.43Å; F113-V197 HydrophobicContact CZ-CG1 4.02Å; V119-V197 HydrophobicContact CG2-CG2 4.04Å; K157-V197 HydrophobicContact CB-CG1 3.92Å; K157-V197 HydrophobicContact CD-CB 4.17Å; K157-V197 HydrophobicContact CD-CG1 4.07Å; K157-V197 HydrophobicContact CG-CB 4.27Å; K157-V197 HydrophobicContact CG-CG1 3.95Å; K157-V197 PolarHBondContact NZ-O 3.28Å; K157-V197 VanDerWaalsContact NZ-O 3.16Å; L160-V197 HydrophobicContact CD1-CG1 4.49Å; L160-V197 HydrophobicContact CD1-CG2 4.44Å; V194-V197 HydrophobicContact CB-CB 4.42Å; V194-V197 HydrophobicContact CB-CG2 4.03Å; V194-V197 HydrophobicContact CG1-CG2 4.34Å; V194-V197 WeakPolarHBondContact O-CB 3.31Å; V194-V197 PolarHBondContact O-N 2.79Å; V194-V197 VanDerWaalsContact O-N 3.17Å; V197-H267 PolarHBondContact O-CE1 2.86Å | ||
| 198 | P | 90.1 | Very high | 87.2 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | trans | -83.8 | 156.9 | -175.8 | 35.4 | -36 | 0 | 0 | 0 | 111.7 | I112 N196 S229 V230 T231 | I112-P198 HydrophobicContact CG2-CB 4.48Å; I112-P198 HydrophobicContact CG2-CG 3.22Å; N196-P198 VanDerWaalsContact O-CD 3.32Å; N196-P198 WeakPolarHBondContact O-CD 3.3Å; P198-S229 VanDerWaalsContact CB-OG 3.28Å; P198-S229 WeakPolarHBondContact CB-OG 3.49Å; P198-S229 WeakPolarHBondContact CG-OG 3.27Å; P198-V230 CarbonylContact C-O 3.58Å; P198-V230 WeakPolarHBondContact CA-O 3.32Å; P198-V230 VanDerWaalsContact CB-O 3.31Å; P198-V230 WeakPolarHBondContact CB-O 3.05Å; P198-T231 HydrophobicContact CB-CG2 3.99Å | ||
| 199 | C | 90.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 145.6 | 169.9 | -68.9 | 0 | 0 | 0 | 0 | 108.5 | S229 V230 L266 H267 | C199-S229 CarbonylContact O-C 3.31Å; C199-S229 WeakPolarHBondContact O-CA 3.22Å; C199-V230 PolarHBondContact N-O 2.94Å; C199-V230 PolarHBondContact O-N 3.49Å; C199-L266 HydrophobicContact CB-CD2 3.97Å; C199-H267 PolarHBondContact N-CE1 3.41Å; C199-H267 PolarHBondContact N-NE2 3.36Å; C199-H267 PolarHBondContact SG-CE1 2.96Å |
| 200 | I | 93.5 | Very high | 88.5 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.7 | 177.7 | -57.1 | 172.2 | 0 | 0 | 0 | 107.6 | T108 I112 F149 D150 S153 L227 | T108-I200 HydrophobicContact CG2-CD1 4.42Å; I112-I200 HydrophobicContact CD1-CD1 3.22Å; I112-I200 HydrophobicContact CD1-CG1 3.42Å; I112-I200 VanDerWaalsContact CD1-CG1 3.42Å; F149-I200 HydrophobicContact CB-CD1 4.3Å; F149-I200 HydrophobicContact CB-CG2 3.98Å; D150-I200 VanDerWaalsContact CA-O 3.32Å; D150-I200 WeakPolarHBondContact CA-O 3.3Å; D150-I200 VanDerWaalsContact CB-O 3.24Å; D150-I200 WeakPolarHBondContact CB-O 3.48Å; D150-I200 VanDerWaalsContact OD1-O 3.08Å; S153-I200 PolarHBondContact OG-N 3.32Å; I200-L227 HydrophobicContact CG2-CB 4.28Å; I200-L227 HydrophobicContact CG2-CD2 3.81Å |
| 201 | V | 94.6 | Very high | 89 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.1 | 170.4 | 179 | 0 | 0 | 0 | 0 | 107.8 | L203 V228 V262 | V201-L203 HydrophobicContact CB-CD1 4.47Å; V201-L203 HydrophobicContact CG1-CD1 3.84Å; V201-L203 HydrophobicContact CG1-CG 4.27Å; V201-V228 PolarHBondContact N-O 3.45Å; V201-V228 PolarHBondContact O-N 3.46Å; V201-V262 HydrophobicContact CG1-CB 4.33Å; V201-V262 HydrophobicContact CG1-CG1 3.92Å; V201-V262 HydrophobicContact CG2-CG1 4.03Å |
| 202 | T | 94.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.7 | 175.9 | -46.8 | 0 | 0 | 0 | 0 | 109.4 | N147 L227 | N147-T202 WeakPolarHBondContact OD1-CB 3.39Å; N147-T202 PolarHBondContact OD1-OG1 2.86Å; N147-T202 VanDerWaalsContact OD1-OG1 3.05Å; T202-L227 HydrophobicContact CG2-CD2 3.76Å; T202-L227 VanDerWaalsContact OG1-CD2 3.28Å; T202-L227 WeakPolarHBondContact OG1-CD2 3.32Å |
| 203 | L | 94.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.6 | 174.1 | -62.5 | 103 | 0 | 0 | 0 | 109.8 | V201 V211 V212 S225 L226 V228 M255 T258 | V201-L203 HydrophobicContact CB-CD1 4.47Å; V201-L203 HydrophobicContact CG1-CD1 3.84Å; V201-L203 HydrophobicContact CG1-CG 4.27Å; L203-V211 WeakPolarHBondContact CA-O 3.36Å; L203-V212 HydrophobicContact CD2-CG1 4.13Å; L203-V212 HydrophobicContact CG-CG1 4.26Å; L203-S225 CarbonylContact O-C 3.55Å; L203-S225 WeakPolarHBondContact O-CA 3.45Å; L203-S225 WeakPolarHBondContact O-CB 3.28Å; L203-L226 PolarHBondContact N-O 2.78Å; L203-L226 PolarHBondContact O-N 2.93Å; L203-V228 HydrophobicContact CD1-CB 4.47Å; L203-V228 HydrophobicContact CD1-CG2 3.93Å; L203-M255 HydrophobicContact CB-CB 4.38Å; L203-M255 HydrophobicContact CB-CG 4.18Å; L203-M255 HydrophobicContact CB-SD 4.47Å; L203-M255 HydrophobicContact CD2-CB 4.03Å; L203-M255 HydrophobicContact CD2-CG 4.22Å; L203-M255 WeakPolarHBondContact CD2-O 3.1Å; L203-T258 HydrophobicContact CD2-CG2 3.86Å |
| 204 | C | 93.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.6 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 110.3 | H210 V211 A214 S225 | C204-H210 CarbonylContact O-C 3.53Å; C204-H210 WeakPolarHBondContact O-CA 3.26Å; C204-V211 PolarHBondContact N-O 3.36Å; C204-V211 PolarHBondContact O-N 3.27Å; C204-A214 HydrophobicContact CB-CB 3.79Å; C204-A214 WeakPolarHBondContact SG-CB 3.34Å; C204-S225 WeakPolarHBondContact SG-CB 3.39Å |
| 205 | K | 92.7 | Very high | 90.9 | Very high | 27 Ų | 27 | 25.1 Ų | 25.1 | 12% | 0.117 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 118.7 | 174.6 | -167.2 | 165.8 | -177.1 | 157.2 | 0 | 110.5 | G207 S222 L223 A224 L247 D248 S251 M255 | K205-G207 WeakPolarHBondContact CE-O 3.48Å; K205-S222 WeakPolarHBondContact O-CA 3.21Å; K205-S222 WeakPolarHBondContact O-CB 3.44Å; K205-L223 PolarHBondContact O-N 2.72Å; K205-A224 WeakPolarHBondContact CB-O 3.44Å; K205-A224 PolarHBondContact N-O 3.23Å; K205-L247 HydrophobicContact CB-CD1 4.36Å; K205-L247 HydrophobicContact CD-CD1 3.54Å; K205-D248 IonicContact NZ-OD2 3.53Å; K205-D248 PolarHBondContact NZ-OD2 3.31Å; K205-S251 PolarHBondContact NZ-OG 2.89Å; K205-M255 HydrophobicContact CB-CE 3.69Å; K205-M255 HydrophobicContact CD-CE 4.09Å; K205-M255 HydrophobicContact CG-CE 4.06Å |
| 206 | I | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 110.7 | 178 | -57.7 | 175.8 | 0 | 0 | 0 | 107.6 | V15 V18 Y208 R209 V211 E218 | V15-I206 HydrophobicContact CB-CG2 4.37Å; V15-I206 HydrophobicContact CG2-CG2 3.78Å; V18-I206 HydrophobicContact CB-CG2 4.33Å; V18-I206 HydrophobicContact CG1-CB 4.24Å; V18-I206 HydrophobicContact CG1-CG2 4.37Å; V18-I206 HydrophobicContact CG2-CD1 4.42Å; V18-I206 HydrophobicContact CG2-CG2 4.33Å; I206-Y208 PolarHBondContact O-N 2.85Å; I206-R209 PolarHBondContact N-O 3.17Å; I206-R209 PolarHBondContact O-N 3.15Å; I206-R209 VanDerWaalsContact O-O 3.08Å; I206-V211 HydrophobicContact CD1-CB 4.41Å; I206-V211 HydrophobicContact CD1-CG2 4.16Å; I206-E218 HydrophobicContact CD1-CB 3.69Å; I206-E218 HydrophobicContact CD1-CG 4.05Å |
| 207 | G | 87.4 | Confident | 91.5 | Very high | 41 Ų | 41 | 23.2 Ų | 23.2 | 42% | 0.423 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | -121.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K205 | K205-G207 WeakPolarHBondContact CE-O 3.48Š|
| 208 | Y | 87.1 | Confident | 91.6 | Very high | 139 Ų | 139 | 23.3 Ų | 23.3 | 55% | 0.545 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -6.8 | 178.8 | 65.7 | -104.6 | 0 | 0 | 0 | 114.1 | Q19 I206 | Q19-Y208 HydrophobicContact CB-CE1 3.7Å; Q19-Y208 WeakPolarHBondContact CB-OH 3.3Å; Q19-Y208 HydrophobicContact CG-CD1 3.77Å; Q19-Y208 HydrophobicContact CG-CE1 3.19Å; Q19-Y208 PolarHBondContact O-OH 3.42Å; Q19-Y208 VanDerWaalsContact O-OH 3.04Å; I206-Y208 PolarHBondContact O-N 2.85Å |
| 209 | R | 90.8 | Very high | 91.5 | Very high | 111 Ų | 111 | 24.7 Ų | 24.7 | 42% | 0.419 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 154.6 | -175.6 | -157.1 | 65.6 | 149.3 | 179.9 | -5.3 | 110.6 | V18 C29 I206 | V18-R209 HydrophobicContact CG1-CB 3.97Å; V18-R209 HydrophobicContact CG1-CG 4.41Å; C29-R209 HydrophobicContact CB-CG 4.5Å; I206-R209 PolarHBondContact N-O 3.17Å; I206-R209 PolarHBondContact O-N 3.15Å; I206-R209 VanDerWaalsContact O-O 3.08Å |
| 210 | H | 92.9 | Very high | 91.4 | Very high | 21 Ų | 21 | 26.7 Ų | 26.7 | 10% | 0.097 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 143.7 | 167.9 | 56.4 | -87.6 | 0 | 0 | 0 | 110.5 | C204 M255 T258 | C204-H210 CarbonylContact O-C 3.53Å; C204-H210 WeakPolarHBondContact O-CA 3.26Å; H210-M255 HydrophobicContact CB-CE 3.71Å; H210-M255 HydrophobicContact CB-CG 3.89Å; H210-T258 PolarHBondContact NE2-OG1 3.04Å |
| 211 | V | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.2 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | V18 C29 L203 C204 I206 | V18-V211 HydrophobicContact CB-CG2 4.46Å; V18-V211 HydrophobicContact CG1-CG2 3.45Å; V18-V211 VanDerWaalsContact CG1-CG2 3.45Å; V18-V211 HydrophobicContact CG2-CG2 4.1Å; C29-V211 HydrophobicContact CB-CG2 4.28Å; C29-V211 WeakPolarHBondContact O-CA 3.23Å; L203-V211 WeakPolarHBondContact CA-O 3.36Å; C204-V211 PolarHBondContact N-O 3.36Å; C204-V211 PolarHBondContact O-N 3.27Å; I206-V211 HydrophobicContact CD1-CB 4.41Å; I206-V211 HydrophobicContact CD1-CG2 4.16Å |
| 212 | V | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 152.2 | 169.8 | -51.3 | 0 | 0 | 0 | 0 | 110 | R23 C29 E30 Y32 L203 A214 T258 V262 | R23-V212 PolarHBondContact NH1-O 3.35Å; C29-V212 PolarHBondContact O-N 3.17Å; E30-V212 WeakPolarHBondContact O-CG2 3.33Å; Y32-V212 HydrophobicContact CD2-CG2 3.77Å; Y32-V212 HydrophobicContact CE2-CB 3.76Å; Y32-V212 HydrophobicContact CE2-CG2 3.49Å; Y32-V212 VanDerWaalsContact CE2-CG2 3.49Å; L203-V212 HydrophobicContact CD2-CG1 4.13Å; L203-V212 HydrophobicContact CG-CG1 4.26Å; V212-A214 PolarHBondContact O-N 3.16Å; V212-T258 HydrophobicContact CG1-CG2 4.23Å; V212-V262 HydrophobicContact CG1-CG2 4.31Å |
| 213 | D | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 52.5 | 56.4 | -179.2 | -176.1 | 52.5 | 0 | 0 | 0 | 113 | R23 Y32 R33 L53 N147 T215 | R23-D213 PolarHBondContact NH2-O 3.16Å; Y32-D213 HydrophobicContact CD1-CB 3.85Å; Y32-D213 HydrophobicContact CE1-CB 3.89Å; Y32-D213 HydrophobicContact CE2-CB 4.48Å; Y32-D213 HydrophobicContact CG-CB 4.19Å; R33-D213 WeakPolarHBondContact CD-OD2 3.25Å; R33-D213 WeakPolarHBondContact CG-OD2 3.48Å; R33-D213 IonicContact CZ-OD2 3.96Å; R33-D213 IonicContact NE-OD1 2.7Å; R33-D213 IonicContact NE-OD2 2.71Å; R33-D213 PolarHBondContact NE-OD2 3.19Å; R33-D213 IonicContact NH2-OD1 2.58Å; R33-D213 IonicContact NH2-OD2 3.27Å; L53-D213 VanDerWaalsContact CD2-OD1 3.3Å; L53-D213 WeakPolarHBondContact CD2-OD1 3.47Å; N147-D213 WeakPolarHBondContact CB-OD1 3.47Å; N147-D213 WeakPolarHBondContact ND2-CA 3.41Å; N147-D213 PolarHBondContact ND2-OD1 3.5Å; D213-T215 PolarHBondContact O-N 3.11Å |
| 214 | A | 90.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -63.7 | 130.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | N147 C204 V212 E218 E219 | N147-A214 PolarHBondContact N-O 2.78Å; C204-A214 HydrophobicContact CB-CB 3.79Å; C204-A214 WeakPolarHBondContact SG-CB 3.34Å; V212-A214 PolarHBondContact O-N 3.16Å; A214-E218 WeakPolarHBondContact CA-OE2 3.39Å; A214-E218 HydrophobicContact CB-CB 4.1Å; A214-E219 HydrophobicContact CB-CG 3.72Å | ||
| 215 | T | 90.5 | Very high | 90.3 | Very high | 8 Ų | 8 | 33.8 Ų | 33.8 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | trans | -68.2 | 162.3 | 167.8 | 56.3 | 0 | 0 | 0 | 0 | 110.2 | D213 Q217 E218 E219 | D213-T215 PolarHBondContact O-N 3.11Å; T215-Q217 PolarHBondContact O-N 3.32Å; T215-Q217 VanDerWaalsContact O-N 3.16Å; T215-E218 PolarHBondContact N-OE2 3.29Å; T215-E218 PolarHBondContact O-N 3.48Å; T215-E218 WeakPolarHBondContact OG1-CB 3.33Å; T215-E218 VanDerWaalsContact OG1-CD 3.22Å; T215-E218 VanDerWaalsContact OG1-CG 3.28Å; T215-E218 WeakPolarHBondContact OG1-CG 3.33Å; T215-E218 PolarHBondContact OG1-N 3Å; T215-E218 PolarHBondContact OG1-OE2 2.86Å; T215-E219 WeakPolarHBondContact O-CG 3.49Å; T215-E219 PolarHBondContact O-N 2.84Å | ||
| 216 | L | 89.3 | Confident | 90.4 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 19% | 0.188 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.1 | -37.3 | 175.9 | -69.6 | 176.8 | 0 | 0 | 0 | 112.4 | V4 C144 E219 A220 | V4-L216 HydrophobicContact CG2-CB 4.04Å; V4-L216 HydrophobicContact CG2-CD1 4.31Å; C144-L216 WeakPolarHBondContact O-CD1 3.48Å; L216-E219 PolarHBondContact O-N 2.85Å; L216-A220 WeakPolarHBondContact O-CB 3.47Å; L216-A220 PolarHBondContact O-N 2.9Å |
| 217 | Q | 90.3 | Very high | 90.5 | Very high | 88 Ų | 88 | 33 Ų | 33 | 41% | 0.411 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 178.8 | -61 | 89.3 | -22.3 | 0 | 0 | 111.9 | L6 I14 T215 A220 C221 | L6-Q217 HydrophobicContact CD1-CB 4.14Å; L6-Q217 WeakPolarHBondContact CD1-O 3.47Å; L6-Q217 HydrophobicContact CD2-CB 4.23Å; L6-Q217 HydrophobicContact CD2-CG 4.05Å; I14-Q217 HydrophobicContact CD1-CB 4.02Å; T215-Q217 PolarHBondContact O-N 3.32Å; T215-Q217 VanDerWaalsContact O-N 3.16Å; Q217-A220 PolarHBondContact O-N 3.27Å; Q217-C221 PolarHBondContact O-N 3.32Å; Q217-C221 PolarHBondContact O-SG 3.33Å |
| 218 | E | 90.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.9 | -39.2 | 176.7 | -75.7 | 166 | 161.1 | 0 | 0 | 112.1 | I14 R23 I206 A214 T215 A220 C221 S222 | I14-E218 HydrophobicContact CG2-CG 3.85Å; R23-E218 IonicContact CZ-OE1 3.35Å; R23-E218 IonicContact CZ-OE2 3.59Å; R23-E218 IonicContact NE-OE1 3.64Å; R23-E218 PolarHBondContact NE-OE1 3.47Å; R23-E218 IonicContact NE-OE2 2.8Å; R23-E218 IonicContact NH2-OE1 2.67Å; R23-E218 PolarHBondContact NH2-OE1 3.29Å; R23-E218 IonicContact NH2-OE2 4Å; R23-E218 PolarHBondContact NH2-OE2 3.01Å; I206-E218 HydrophobicContact CD1-CB 3.69Å; I206-E218 HydrophobicContact CD1-CG 4.05Å; A214-E218 WeakPolarHBondContact CA-OE2 3.39Å; A214-E218 HydrophobicContact CB-CB 4.1Å; T215-E218 PolarHBondContact N-OE2 3.29Å; T215-E218 PolarHBondContact O-N 3.48Å; T215-E218 WeakPolarHBondContact OG1-CB 3.33Å; T215-E218 VanDerWaalsContact OG1-CD 3.22Å; T215-E218 VanDerWaalsContact OG1-CG 3.28Å; T215-E218 WeakPolarHBondContact OG1-CG 3.33Å; T215-E218 PolarHBondContact OG1-N 3Å; T215-E218 PolarHBondContact OG1-OE2 2.86Å; E218-A220 VanDerWaalsContact C-N 3.3Å; E218-A220 PolarHBondContact O-N 3.06Å; E218-C221 CarbonylContact O-C 3.57Å; E218-C221 WeakPolarHBondContact O-CB 3.34Å; E218-C221 PolarHBondContact O-N 3Å; E218-C221 VanDerWaalsContact O-N 3.09Å; E218-S222 PolarHBondContact O-N 3.5Å |
| 219 | E | 89.1 | Confident | 91.1 | Very high | 32 Ų | 32 | 24.5 Ų | 24.5 | 15% | 0.15 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.4 | -41.8 | 173.9 | -73.8 | -178.5 | 173.9 | 0 | 0 | 111.1 | N147 A214 T215 L216 C221 S222 | N147-E219 PolarHBondContact N-OE1 2.96Å; A214-E219 HydrophobicContact CB-CG 3.72Å; T215-E219 WeakPolarHBondContact O-CG 3.49Å; T215-E219 PolarHBondContact O-N 2.84Å; L216-E219 PolarHBondContact O-N 2.85Å; E219-C221 VanDerWaalsContact C-N 3.27Å; E219-C221 PolarHBondContact O-N 3.3Å; E219-S222 WeakPolarHBondContact O-CB 3.43Å; E219-S222 PolarHBondContact O-N 3.27Å; E219-S222 VanDerWaalsContact O-N 3.11Å; E219-S222 PolarHBondContact O-OG 2.99Å |
| 220 | A | 88.6 | Confident | 91.2 | Very high | 43 Ų | 43 | 19.2 Ų | 19.2 | 36% | 0.355 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -66.2 | -27.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L6 L216 Q217 E218 | L6-A220 HydrophobicContact CD1-CB 3.58Å; L216-A220 WeakPolarHBondContact O-CB 3.47Å; L216-A220 PolarHBondContact O-N 2.9Å; Q217-A220 PolarHBondContact O-N 3.27Å; E218-A220 VanDerWaalsContact C-N 3.3Å; E218-A220 PolarHBondContact O-N 3.06Å |
| 221 | C | 88.6 | Confident | 91.1 | Very high | 19 Ų | 19 | 18.6 Ų | 18.6 | 13% | 0.128 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -81.6 | -21.1 | 173 | -61 | 0 | 0 | 0 | 0 | 112.8 | Q217 E218 E219 | Q217-C221 PolarHBondContact O-N 3.32Å; Q217-C221 PolarHBondContact O-SG 3.33Å; E218-C221 CarbonylContact O-C 3.57Å; E218-C221 WeakPolarHBondContact O-CB 3.34Å; E218-C221 PolarHBondContact O-N 3Å; E218-C221 VanDerWaalsContact O-N 3.09Å; E219-C221 VanDerWaalsContact C-N 3.27Å; E219-C221 PolarHBondContact O-N 3.3Å |
| 222 | S | 88.6 | Confident | 90.8 | Very high | 15 Ų | 15 | 20.9 Ų | 20.9 | 11% | 0.105 | 12% | 0.121 | C | C | . | . | trans | -76.4 | 145.7 | -176.1 | 78.3 | 0 | 0 | 0 | 0 | 112.6 | K205 E218 E219 | K205-S222 WeakPolarHBondContact O-CA 3.21Å; K205-S222 WeakPolarHBondContact O-CB 3.44Å; E218-S222 PolarHBondContact O-N 3.5Å; E219-S222 WeakPolarHBondContact O-CB 3.43Å; E219-S222 PolarHBondContact O-N 3.27Å; E219-S222 VanDerWaalsContact O-N 3.11Å; E219-S222 PolarHBondContact O-OG 2.99Å | ||
| 223 | L | 86.6 | Confident | 90.5 | Very high | 110 Ų | 110 | 27.3 Ų | 27.3 | 58% | 0.576 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -91.3 | -40.7 | 176.8 | -66.4 | 171.6 | 0 | 0 | 0 | 111.3 | K205 K244 G245 | K205-L223 PolarHBondContact O-N 2.72Å; L223-K244 PolarHBondContact O-N 2.74Å; L223-G245 WeakPolarHBondContact O-CA 3.23Å; L223-G245 PolarHBondContact O-N 2.93Å |
| 224 | A | 91 | Very high | 90.1 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 148.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | K205 L247 | K205-A224 WeakPolarHBondContact CB-O 3.44Å; K205-A224 PolarHBondContact N-O 3.23Å; A224-L247 HydrophobicContact CB-CB 4.3Å; A224-L247 HydrophobicContact CB-CD1 4.46Å |
| 225 | S | 92.1 | Very high | 90.1 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 146.2 | 170.8 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | L203 C204 K241 V242 | L203-S225 CarbonylContact O-C 3.55Å; L203-S225 WeakPolarHBondContact O-CA 3.45Å; L203-S225 WeakPolarHBondContact O-CB 3.28Å; C204-S225 WeakPolarHBondContact SG-CB 3.39Å; S225-K241 WeakPolarHBondContact O-CA 3.27Å; S225-V242 PolarHBondContact N-O 2.83Å; S225-V242 PolarHBondContact O-N 3.03Å; S225-V242 VanDerWaalsContact O-O 3.08Å; S225-V242 WeakPolarHBondContact OG-CG1 3.27Å |
| 226 | L | 93.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 118.4 | -179.3 | -168.3 | 69.7 | 0 | 0 | 0 | 108.5 | L203 V228 M239 K241 I252 M255 | L203-L226 PolarHBondContact N-O 2.78Å; L203-L226 PolarHBondContact O-N 2.93Å; L226-V228 HydrophobicContact CD2-CG2 3.93Å; L226-V228 HydrophobicContact CG-CG2 3.96Å; L226-M239 HydrophobicContact CD1-CG 3.65Å; L226-M239 HydrophobicContact CD1-SD 4.09Å; L226-M239 HydrophobicContact CD2-CG 4.3Å; L226-M239 HydrophobicContact CD2-SD 4.04Å; L226-M239 HydrophobicContact CG-CG 4.1Å; L226-M239 HydrophobicContact CG-SD 4.45Å; L226-K241 HydrophobicContact CD1-CB 4.22Å; L226-I252 HydrophobicContact CD2-CG2 4.19Å; L226-M255 HydrophobicContact CB-SD 3.91Å; L226-M255 HydrophobicContact CD2-CB 3.75Å; L226-M255 HydrophobicContact CD2-SD 4.15Å |
| 227 | L | 94.2 | Very high | 90.1 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 120.8 | 171.5 | -64.4 | 165.1 | 0 | 0 | 0 | 108 | F149 I200 T202 M239 R240 V242 | F149-L227 HydrophobicContact CB-CD2 3.8Å; F149-L227 HydrophobicContact CD1-CD1 4.38Å; F149-L227 HydrophobicContact CD2-CD1 4.13Å; F149-L227 HydrophobicContact CD2-CD2 3.72Å; F149-L227 HydrophobicContact CE1-CD1 4.4Å; F149-L227 HydrophobicContact CE2-CD1 4.17Å; F149-L227 HydrophobicContact CE2-CD2 4.48Å; F149-L227 HydrophobicContact CG-CD1 4.24Å; F149-L227 HydrophobicContact CG-CD2 3.81Å; F149-L227 HydrophobicContact CZ-CD1 4.3Å; I200-L227 HydrophobicContact CG2-CB 4.28Å; I200-L227 HydrophobicContact CG2-CD2 3.81Å; T202-L227 HydrophobicContact CG2-CD2 3.76Å; T202-L227 VanDerWaalsContact OG1-CD2 3.28Å; T202-L227 WeakPolarHBondContact OG1-CD2 3.32Å; L227-M239 CarbonylContact O-C 3.45Å; L227-M239 WeakPolarHBondContact O-CA 3.45Å; L227-R240 HydrophobicContact CB-CB 4.34Å; L227-R240 WeakPolarHBondContact CB-O 3.46Å; L227-R240 PolarHBondContact N-O 2.68Å; L227-R240 PolarHBondContact O-N 2.91Å; L227-V242 HydrophobicContact CD1-CG1 4Å; L227-V242 HydrophobicContact CG-CG1 4.21Å |
| 228 | V | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.6 | 178.4 | -172.5 | 0 | 0 | 0 | 0 | 108.4 | V201 L203 L226 V230 V236 | V201-V228 PolarHBondContact N-O 3.45Å; V201-V228 PolarHBondContact O-N 3.46Å; L203-V228 HydrophobicContact CD1-CB 4.47Å; L203-V228 HydrophobicContact CD1-CG2 3.93Å; L226-V228 HydrophobicContact CD2-CG2 3.93Å; L226-V228 HydrophobicContact CG-CG2 3.96Å; V228-V230 HydrophobicContact CG1-CG2 3.7Å; V228-V236 HydrophobicContact CG1-CG1 3.7Å; V228-V236 HydrophobicContact CG1-CG2 4.1Å |
| 229 | S | 93.2 | Very high | 90.1 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.5 | 176.4 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | P198 C199 V236 T237 C238 | P198-S229 VanDerWaalsContact CB-OG 3.28Å; P198-S229 WeakPolarHBondContact CB-OG 3.49Å; P198-S229 WeakPolarHBondContact CG-OG 3.27Å; C199-S229 CarbonylContact O-C 3.31Å; C199-S229 WeakPolarHBondContact O-CA 3.22Å; S229-V236 CarbonylContact O-C 3.46Å; S229-V236 WeakPolarHBondContact O-CA 3.22Å; S229-T237 PolarHBondContact O-N 3.03Å; S229-C238 PolarHBondContact N-O 3.33Å |
| 230 | V | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 134.2 | -171.7 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | P198 C199 V228 V236 H267 | P198-V230 CarbonylContact C-O 3.58Å; P198-V230 WeakPolarHBondContact CA-O 3.32Å; P198-V230 VanDerWaalsContact CB-O 3.31Å; P198-V230 WeakPolarHBondContact CB-O 3.05Å; C199-V230 PolarHBondContact N-O 2.94Å; C199-V230 PolarHBondContact O-N 3.49Å; V228-V230 HydrophobicContact CG1-CG2 3.7Å; V230-V236 HydrophobicContact CG2-CG2 4.46Å; V230-H267 PolarHBondContact O-NE2 3.28Å |
| 231 | T | 91.3 | Very high | 90.4 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.043 | 20% | 0.198 | C | C | . | . | trans | -85.6 | 166.3 | 172 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | P198 K233 G234 V235 | P198-T231 HydrophobicContact CB-CG2 3.99Å; T231-K233 PolarHBondContact O-N 2.89Å; T231-K233 VanDerWaalsContact O-N 3.15Å; T231-G234 WeakPolarHBondContact O-CA 2.99Å; T231-G234 PolarHBondContact O-N 3.04Å; T231-V235 HydrophobicContact CG2-CG2 3.75Å; T231-V235 PolarHBondContact N-O 2.84Å; T231-V235 WeakPolarHBondContact OG1-CG2 3.32Å; T231-V235 PolarHBondContact OG1-N 2.78Å; T231-V235 VanDerWaalsContact OG1-N 3.16Å; T231-V235 PolarHBondContact OG1-O 2.81Å; T231-V235 VanDerWaalsContact OG1-O 3.09Å | ||
| 232 | S | 87.8 | Confident | 90.4 | Very high | 49 Ų | 49 | 37.7 Ų | 37.7 | 34% | 0.343 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -34.4 | 173.3 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | E195 G234 H267 | E195-S232 PolarHBondContact O-OG 2.86Å; S232-G234 PolarHBondContact O-N 2.81Å; S232-H267 PolarHBondContact N-CD2 3.07Å |
| 233 | K | 86.6 | Confident | 90.3 | Very high | 135 Ų | 135 | 39.1 Ų | 39.1 | 59% | 0.587 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -10.2 | 177.2 | -67.4 | 168.2 | -178.9 | 156.1 | 0 | 113.1 | N196 T231 | N196-K233 PolarHBondContact OD1-NZ 3.39Å; T231-K233 PolarHBondContact O-N 2.89Å; T231-K233 VanDerWaalsContact O-N 3.15Å |
| 234 | G | 84 | Confident | 90.2 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | trans | 77.9 | 20.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T231 S232 K260 | T231-G234 WeakPolarHBondContact O-CA 2.99Å; T231-G234 PolarHBondContact O-N 3.04Å; S232-G234 PolarHBondContact O-N 2.81Å; G234-K260 VanDerWaalsContact O-CE 3.31Å; G234-K260 WeakPolarHBondContact O-CE 3.47Å | ||
| 235 | V | 90.2 | Very high | 90 | Very high | 84 Ų | 84 | 44 Ų | 44 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | trans | -81.9 | 137.9 | 165.8 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | T231 | T231-V235 HydrophobicContact CG2-CG2 3.75Å; T231-V235 PolarHBondContact N-O 2.84Å; T231-V235 WeakPolarHBondContact OG1-CG2 3.32Å; T231-V235 PolarHBondContact OG1-N 2.78Å; T231-V235 VanDerWaalsContact OG1-N 3.16Å; T231-V235 PolarHBondContact OG1-O 2.81Å; T231-V235 VanDerWaalsContact OG1-O 3.09Å | ||
| 236 | V | 90.6 | Very high | 89.9 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 34% | 0.339 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.9 | 177 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | V228 S229 V230 M256 | V228-V236 HydrophobicContact CG1-CG1 3.7Å; V228-V236 HydrophobicContact CG1-CG2 4.1Å; S229-V236 CarbonylContact O-C 3.46Å; S229-V236 WeakPolarHBondContact O-CA 3.22Å; V230-V236 HydrophobicContact CG2-CG2 4.46Å; V236-M256 HydrophobicContact CG2-CG 4.34Å |
| 237 | T | 88.1 | Confident | 89.7 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -42.7 | -179.4 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | I112 N115 S229 | I112-T237 WeakPolarHBondContact O-CG2 3.44Å; N115-T237 HydrophobicContact CB-CG2 3.81Å; S229-T237 PolarHBondContact O-N 3.03Å |
| 238 | C | 88.9 | Confident | 89.5 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 142.3 | -176.2 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | R111 I112 S229 | R111-C238 VanDerWaalsContact CD-SG 3.6Å; I112-C238 HydrophobicContact CG1-CB 4.13Å; S229-C238 PolarHBondContact N-O 3.33Å |
| 239 | M | 91.5 | Very high | 89.3 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 38% | 0.384 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.6 | 167 | -174.7 | 175.3 | 70.8 | 0 | 0 | 107.8 | L226 L227 I252 M256 | L226-M239 HydrophobicContact CD1-CG 3.65Å; L226-M239 HydrophobicContact CD1-SD 4.09Å; L226-M239 HydrophobicContact CD2-CG 4.3Å; L226-M239 HydrophobicContact CD2-SD 4.04Å; L226-M239 HydrophobicContact CG-CG 4.1Å; L226-M239 HydrophobicContact CG-SD 4.45Å; L227-M239 CarbonylContact O-C 3.45Å; L227-M239 WeakPolarHBondContact O-CA 3.45Å; M239-I252 HydrophobicContact CE-CG2 4.19Å; M239-I252 HydrophobicContact SD-CG2 3.93Å; M239-M256 HydrophobicContact CE-CE 4.31Å; M239-M256 HydrophobicContact SD-CE 3.63Å |
| 240 | R | 92 | Very high | 89.2 | Confident | 62 Ų | 62 | 65 Ų | 65 | 23% | 0.234 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 128.4 | 178.9 | 178.1 | 178.8 | 178.8 | 165 | 0.6 | 108.9 | E104 T108 L227 | E104-R240 IonicContact OE2-CZ 2.71Å; E104-R240 IonicContact OE2-NH2 3.99Å; E104-R240 PolarHBondContact OE2-NH2 2.91Å; T108-R240 PolarHBondContact OG1-NH1 3.07Å; L227-R240 HydrophobicContact CB-CB 4.34Å; L227-R240 WeakPolarHBondContact CB-O 3.46Å; L227-R240 PolarHBondContact N-O 2.68Å; L227-R240 PolarHBondContact O-N 2.91Å |
| 241 | K | 92.3 | Very high | 89.1 | Confident | 86 Ų | 86 | 65.4 Ų | 65.4 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 133.8 | 168.9 | -176.9 | -90.8 | 179.3 | 174.1 | 0 | 108.8 | S225 L226 G243 G245 | S225-K241 WeakPolarHBondContact O-CA 3.27Å; L226-K241 HydrophobicContact CD1-CB 4.22Å; K241-G243 PolarHBondContact NZ-O 2.72Å; K241-G245 WeakPolarHBondContact CE-O 3.34Å; K241-G245 PolarHBondContact NZ-O 2.88Å |
| 242 | V | 90.1 | Very high | 89.2 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 18% | 0.176 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 160.7 | 172.3 | 65.9 | 0 | 0 | 0 | 0 | 109.1 | S225 L227 | S225-V242 PolarHBondContact N-O 2.83Å; S225-V242 PolarHBondContact O-N 3.03Å; S225-V242 VanDerWaalsContact O-O 3.08Å; S225-V242 WeakPolarHBondContact OG-CG1 3.27Å; L227-V242 HydrophobicContact CD1-CG1 4Å; L227-V242 HydrophobicContact CG-CG1 4.21Å |
| 243 | G | 85.4 | Confident | 89.4 | Confident | 46 Ų | 46 | 71.8 Ų | 71.8 | 47% | 0.474 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 101.6 | 167.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K241 | K241-G243 PolarHBondContact NZ-O 2.72Š|
| 244 | K | 84.3 | Confident | 89.7 | Confident | 193 Ų | 193 | 70.8 Ų | 70.8 | 84% | 0.839 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -94.2 | -13.7 | -167.7 | 60.6 | -163.9 | 173.5 | -162.9 | 0 | 115 | L223 | L223-K244 PolarHBondContact O-N 2.74Š|
| 245 | G | 87.9 | Confident | 90.1 | Very high | 21 Ų | 21 | 70.5 Ų | 70.5 | 22% | 0.216 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -93.6 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L223 K241 | L223-G245 WeakPolarHBondContact O-CA 3.23Å; L223-G245 PolarHBondContact O-N 2.93Å; K241-G245 WeakPolarHBondContact CE-O 3.34Å; K241-G245 PolarHBondContact NZ-O 2.88Å |
| 246 | S | 88.9 | Confident | 90.3 | Very high | 102 Ų | 102 | 69.4 Ų | 69.4 | 71% | 0.713 | 37% | 0.369 | S | S | * | . | trans | -84.7 | 164 | 171.6 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 247 | L | 89 | Confident | 90.4 | Very high | 31 Ų | 31 | 72.7 Ų | 72.7 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | trans | -136.9 | 132.4 | 175.8 | -173.8 | 62.9 | 0 | 0 | 0 | 109.7 | K205 A224 S251 I252 M255 | K205-L247 HydrophobicContact CB-CD1 4.36Å; K205-L247 HydrophobicContact CD-CD1 3.54Å; A224-L247 HydrophobicContact CB-CB 4.3Å; A224-L247 HydrophobicContact CB-CD1 4.46Å; L247-S251 WeakPolarHBondContact CD1-OG 3.44Å; L247-I252 HydrophobicContact CD2-CD1 4.14Å; L247-I252 HydrophobicContact CD2-CG1 3.54Å; L247-I252 HydrophobicContact CG-CD1 4.43Å; L247-I252 HydrophobicContact CG-CG1 3.89Å; L247-M255 HydrophobicContact CD1-CE 3.83Å; L247-M255 HydrophobicContact CD1-SD 4.19Å; L247-M255 HydrophobicContact CD2-SD 4.22Å | ||
| 248 | D | 90.8 | Very high | 90.7 | Very high | 84 Ų | 84 | 71.4 Ų | 71.4 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | trans | -73.5 | 138.9 | 179.6 | -49.7 | -78.5 | 0 | 0 | 0 | 110.7 | K205 E250 S251 I252 | K205-D248 IonicContact NZ-OD2 3.53Å; K205-D248 PolarHBondContact NZ-OD2 3.31Å; D248-E250 VanDerWaalsContact C-N 3.28Å; D248-E250 PolarHBondContact O-N 3.36Å; D248-S251 PolarHBondContact O-N 3.22Å; D248-S251 VanDerWaalsContact O-N 3.16Å; D248-S251 PolarHBondContact O-OG 3.45Å; D248-I252 PolarHBondContact O-N 2.78Å | ||
| 249 | P | 90.3 | Very high | 90.9 | Very high | 90 Ų | 90 | 70.9 Ų | 70.9 | 58% | 0.584 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.5 | -35.2 | -176.6 | 25.6 | -34.1 | 0 | 0 | 0 | 112.6 | I252 F253 | P249-I252 WeakPolarHBondContact O-CB 3.41Å; P249-I252 PolarHBondContact O-N 2.89Å; P249-F253 WeakPolarHBondContact O-CD2 3.33Å |
| 250 | E | 91.1 | Very high | 91 | Very high | 160 Ų | 160 | 71.5 Ų | 71.5 | 75% | 0.748 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.6 | -43.2 | 177.1 | -66.9 | -179 | 97.3 | 0 | 0 | 111.3 | D248 I252 F253 E254 | D248-E250 VanDerWaalsContact C-N 3.28Å; D248-E250 PolarHBondContact O-N 3.36Å; E250-I252 PolarHBondContact O-N 3.48Å; E250-F253 PolarHBondContact O-N 2.97Å; E250-F253 VanDerWaalsContact O-N 3.12Å; E250-E254 PolarHBondContact O-N 2.9Å |
| 251 | S | 89.9 | Confident | 91.1 | Very high | 9 Ų | 9 | 73.8 Ų | 73.8 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.6 | -23.6 | 178.5 | 64 | 0 | 0 | 0 | 0 | 113.5 | K205 L247 D248 F253 E254 M255 | K205-S251 PolarHBondContact NZ-OG 2.89Å; L247-S251 WeakPolarHBondContact CD1-OG 3.44Å; D248-S251 PolarHBondContact O-N 3.22Å; D248-S251 VanDerWaalsContact O-N 3.16Å; D248-S251 PolarHBondContact O-OG 3.45Å; S251-F253 VanDerWaalsContact C-N 3.32Å; S251-F253 PolarHBondContact O-N 3.39Å; S251-E254 PolarHBondContact O-N 2.74Å; S251-M255 WeakPolarHBondContact O-CB 3.09Å; S251-M255 WeakPolarHBondContact O-CG 3.44Å; S251-M255 PolarHBondContact O-N 3.34Å |
| 252 | I | 92.6 | Very high | 91.1 | Very high | 45 Ų | 45 | 70.3 Ų | 70.3 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 175 | -63.4 | 173.1 | 0 | 0 | 0 | 110.7 | L226 M239 L247 D248 P249 E250 M256 | L226-I252 HydrophobicContact CD2-CG2 4.19Å; M239-I252 HydrophobicContact CE-CG2 4.19Å; M239-I252 HydrophobicContact SD-CG2 3.93Å; L247-I252 HydrophobicContact CD2-CD1 4.14Å; L247-I252 HydrophobicContact CD2-CG1 3.54Å; L247-I252 HydrophobicContact CG-CD1 4.43Å; L247-I252 HydrophobicContact CG-CG1 3.89Å; D248-I252 PolarHBondContact O-N 2.78Å; P249-I252 WeakPolarHBondContact O-CB 3.41Å; P249-I252 PolarHBondContact O-N 2.89Å; E250-I252 PolarHBondContact O-N 3.48Å; I252-M256 VanDerWaalsContact O-CB 3.3Å; I252-M256 WeakPolarHBondContact O-CB 3.32Å; I252-M256 PolarHBondContact O-N 3.38Å |
| 253 | F | 93.1 | Very high | 91.2 | Very high | 145 Ų | 145 | 69 Ų | 69 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.2 | -43.9 | 179.4 | -65.8 | -72.1 | 0 | 0 | 0 | 111.5 | P249 E250 S251 M255 M256 E257 | P249-F253 WeakPolarHBondContact O-CD2 3.33Å; E250-F253 PolarHBondContact O-N 2.97Å; E250-F253 VanDerWaalsContact O-N 3.12Å; S251-F253 VanDerWaalsContact C-N 3.32Å; S251-F253 PolarHBondContact O-N 3.39Å; F253-M255 VanDerWaalsContact C-N 3.35Å; F253-M255 PolarHBondContact O-N 3.37Å; F253-M256 PolarHBondContact O-N 2.88Å; F253-E257 PolarHBondContact O-N 3Å |
| 254 | E | 92.3 | Very high | 91.5 | Very high | 113 Ų | 113 | 71.4 Ų | 71.4 | 53% | 0.528 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.7 | -63.7 | -174.3 | 148.6 | 0 | 0 | 111.8 | E250 S251 M256 E257 T258 | E250-E254 PolarHBondContact O-N 2.9Å; S251-E254 PolarHBondContact O-N 2.74Å; E254-M256 VanDerWaalsContact C-N 3.34Å; E254-M256 PolarHBondContact O-N 3.16Å; E254-E257 PolarHBondContact O-N 3.09Å; E254-T258 WeakPolarHBondContact O-CB 3.37Å; E254-T258 PolarHBondContact O-N 2.99Å; E254-T258 PolarHBondContact O-OG1 3.4Å |
| 255 | M | 93.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 176.2 | -73.8 | 174.2 | -176.4 | 0 | 0 | 112.1 | L203 K205 H210 L226 L247 S251 F253 G259 | L203-M255 HydrophobicContact CB-CB 4.38Å; L203-M255 HydrophobicContact CB-CG 4.18Å; L203-M255 HydrophobicContact CB-SD 4.47Å; L203-M255 HydrophobicContact CD2-CB 4.03Å; L203-M255 HydrophobicContact CD2-CG 4.22Å; L203-M255 WeakPolarHBondContact CD2-O 3.1Å; K205-M255 HydrophobicContact CB-CE 3.69Å; K205-M255 HydrophobicContact CD-CE 4.09Å; K205-M255 HydrophobicContact CG-CE 4.06Å; H210-M255 HydrophobicContact CB-CE 3.71Å; H210-M255 HydrophobicContact CB-CG 3.89Å; L226-M255 HydrophobicContact CB-SD 3.91Å; L226-M255 HydrophobicContact CD2-CB 3.75Å; L226-M255 HydrophobicContact CD2-SD 4.15Å; L247-M255 HydrophobicContact CD1-CE 3.83Å; L247-M255 HydrophobicContact CD1-SD 4.19Å; L247-M255 HydrophobicContact CD2-SD 4.22Å; S251-M255 WeakPolarHBondContact O-CB 3.09Å; S251-M255 WeakPolarHBondContact O-CG 3.44Å; S251-M255 PolarHBondContact O-N 3.34Å; F253-M255 VanDerWaalsContact C-N 3.35Å; F253-M255 PolarHBondContact O-N 3.37Å; M255-G259 PolarHBondContact O-N 3.03Å |
| 256 | M | 93.3 | Very high | 92 | Very high | 62 Ų | 62 | 67 Ų | 67 | 31% | 0.305 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 177.5 | -174.6 | -175.7 | -61.9 | 0 | 0 | 111.5 | V236 M239 I252 F253 E254 G259 K260 | V236-M256 HydrophobicContact CG2-CG 4.34Å; M239-M256 HydrophobicContact CE-CE 4.31Å; M239-M256 HydrophobicContact SD-CE 3.63Å; I252-M256 VanDerWaalsContact O-CB 3.3Å; I252-M256 WeakPolarHBondContact O-CB 3.32Å; I252-M256 PolarHBondContact O-N 3.38Å; F253-M256 PolarHBondContact O-N 2.88Å; E254-M256 VanDerWaalsContact C-N 3.34Å; E254-M256 PolarHBondContact O-N 3.16Å; M256-G259 PolarHBondContact O-N 2.79Å; M256-K260 WeakPolarHBondContact O-CB 3.45Å; M256-K260 PolarHBondContact O-N 3.29Å |
| 257 | E | 93.8 | Very high | 92.1 | Very high | 125 Ų | 125 | 62.5 Ų | 62.5 | 58% | 0.584 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.5 | -45.6 | 177.3 | -167.4 | -172.8 | 155 | 0 | 0 | 111.3 | F253 E254 K260 R261 | F253-E257 PolarHBondContact O-N 3Å; E254-E257 PolarHBondContact O-N 3.09Å; E257-K260 WeakPolarHBondContact O-CB 3.4Å; E257-K260 PolarHBondContact O-N 3.39Å; E257-R261 PolarHBondContact O-N 3.41Å; E257-R261 IonicContact OE1-NH2 3.68Å; E257-R261 PolarHBondContact OE1-NH2 3.22Å |
| 258 | T | 93.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.043 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | E30 L203 H210 V212 E254 K260 R261 V262 | E30-T258 HydrophobicContact CG-CG2 4.18Å; E30-T258 WeakPolarHBondContact OE1-CG2 3.2Å; L203-T258 HydrophobicContact CD2-CG2 3.86Å; H210-T258 PolarHBondContact NE2-OG1 3.04Å; V212-T258 HydrophobicContact CG1-CG2 4.23Å; E254-T258 WeakPolarHBondContact O-CB 3.37Å; E254-T258 PolarHBondContact O-N 2.99Å; E254-T258 PolarHBondContact O-OG1 3.4Å; T258-K260 VanDerWaalsContact C-N 3.28Å; T258-K260 PolarHBondContact O-N 2.96Å; T258-R261 PolarHBondContact O-N 3.03Å; T258-R261 VanDerWaalsContact O-N 3.09Å; T258-V262 HydrophobicContact CG2-CG2 4.26Å; T258-V262 WeakPolarHBondContact O-CB 3.29Å; T258-V262 WeakPolarHBondContact O-CG2 3.43Å; T258-V262 PolarHBondContact O-N 2.85Å |
| 259 | G | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.2 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M255 M256 G263 | M255-G259 PolarHBondContact O-N 3.03Å; M256-G259 PolarHBondContact O-N 2.79Å; G259-G263 WeakPolarHBondContact O-CA 3.19Å; G259-G263 PolarHBondContact O-N 2.9Å |
| 260 | K | 93.7 | Very high | 92.2 | Very high | 91 Ų | 91 | 59.4 Ų | 59.4 | 40% | 0.396 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 174.9 | -177.3 | -179.8 | 176.6 | -179.7 | 0 | 112.5 | G234 M256 E257 T258 K264 | G234-K260 VanDerWaalsContact O-CE 3.31Å; G234-K260 WeakPolarHBondContact O-CE 3.47Å; M256-K260 WeakPolarHBondContact O-CB 3.45Å; M256-K260 PolarHBondContact O-N 3.29Å; E257-K260 WeakPolarHBondContact O-CB 3.4Å; E257-K260 PolarHBondContact O-N 3.39Å; T258-K260 VanDerWaalsContact C-N 3.28Å; T258-K260 PolarHBondContact O-N 2.96Å; K260-K264 WeakPolarHBondContact O-CG 3.35Å; K260-K264 PolarHBondContact O-N 2.85Å |
| 261 | R | 93.6 | Very high | 92.2 | Very high | 109 Ų | 109 | 54.2 Ų | 54.2 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.6 | -53 | 179.4 | -168.8 | -172.7 | -54 | 119.4 | 5.3 | 110.6 | E30 E257 T258 K264 V265 | E30-R261 IonicContact OE1-CZ 2.8Å; E30-R261 IonicContact OE1-NH1 3.69Å; E30-R261 PolarHBondContact OE1-NH1 3.25Å; E257-R261 PolarHBondContact O-N 3.41Å; E257-R261 IonicContact OE1-NH2 3.68Å; E257-R261 PolarHBondContact OE1-NH2 3.22Å; T258-R261 PolarHBondContact O-N 3.03Å; T258-R261 VanDerWaalsContact O-N 3.09Å; R261-K264 PolarHBondContact O-N 3.4Å; R261-V265 PolarHBondContact O-N 3.06Å |
| 262 | V | 93.4 | Very high | 92.2 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 9% | 0.085 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 178.3 | 168.9 | 0 | 0 | 0 | 0 | 111 | Y32 V201 V212 T258 K264 V265 L266 | Y32-V262 HydrophobicContact CD2-CG1 4.12Å; Y32-V262 HydrophobicContact CE2-CG1 3.32Å; V201-V262 HydrophobicContact CG1-CB 4.33Å; V201-V262 HydrophobicContact CG1-CG1 3.92Å; V201-V262 HydrophobicContact CG2-CG1 4.03Å; V212-V262 HydrophobicContact CG1-CG2 4.31Å; T258-V262 HydrophobicContact CG2-CG2 4.26Å; T258-V262 WeakPolarHBondContact O-CB 3.29Å; T258-V262 WeakPolarHBondContact O-CG2 3.43Å; T258-V262 PolarHBondContact O-N 2.85Å; V262-K264 VanDerWaalsContact C-N 3.26Å; V262-K264 PolarHBondContact O-N 2.82Å; V262-V265 PolarHBondContact O-N 3.25Å; V262-L266 WeakPolarHBondContact O-CB 3.34Å; V262-L266 PolarHBondContact O-N 3.04Å |
| 263 | G | 91.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.5 | -38.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G259 H267 | G259-G263 WeakPolarHBondContact O-CA 3.19Å; G259-G263 PolarHBondContact O-N 2.9Å; G263-H267 WeakPolarHBondContact O-CB 3.35Å; G263-H267 PolarHBondContact O-CD2 2.96Å; G263-H267 PolarHBondContact O-N 2.65Å |
| 264 | K | 91.6 | Very high | 91.8 | Very high | 97 Ų | 97 | 51.4 Ų | 51.4 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 175 | -75.9 | -179.8 | 175.7 | -167.4 | 0 | 112.7 | K260 R261 V262 L266 A268 | K260-K264 WeakPolarHBondContact O-CG 3.35Å; K260-K264 PolarHBondContact O-N 2.85Å; R261-K264 PolarHBondContact O-N 3.4Å; V262-K264 VanDerWaalsContact C-N 3.26Å; V262-K264 PolarHBondContact O-N 2.82Å; K264-L266 VanDerWaalsContact C-N 3.33Å; K264-A268 WeakPolarHBondContact O-CB 3.4Å; K264-A268 PolarHBondContact O-N 3.18Å |
| 265 | V | 92.5 | Very high | 91.6 | Very high | 99 Ų | 99 | 50.6 Ų | 50.6 | 60% | 0.6 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 178 | 175 | 0 | 0 | 0 | 0 | 110.1 | R261 V262 A268 S269 | R261-V265 PolarHBondContact O-N 3.06Å; V262-V265 PolarHBondContact O-N 3.25Å; V265-A268 PolarHBondContact O-N 3.31Å; V265-S269 WeakPolarHBondContact O-CB 3.47Å; V265-S269 PolarHBondContact O-N 3.43Å |
| 266 | L | 90.9 | Very high | 91.4 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.12 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | -179.7 | -163.6 | 158.9 | 0 | 0 | 0 | 111.4 | Y32 I154 C199 V262 K264 A268 S269 L270 | Y32-L266 HydrophobicContact CE1-CD1 4.2Å; I154-L266 HydrophobicContact CD1-CD1 4.21Å; I154-L266 HydrophobicContact CD1-CD2 3.98Å; I154-L266 HydrophobicContact CD1-CG 4.39Å; I154-L266 HydrophobicContact CG1-CD2 3.82Å; C199-L266 HydrophobicContact CB-CD2 3.97Å; V262-L266 WeakPolarHBondContact O-CB 3.34Å; V262-L266 PolarHBondContact O-N 3.04Å; K264-L266 VanDerWaalsContact C-N 3.33Å; L266-A268 PolarHBondContact O-N 3.03Å; L266-S269 PolarHBondContact O-N 3.34Å; L266-L270 VanDerWaalsContact O-CB 3.3Å; L266-L270 WeakPolarHBondContact O-CB 3.44Å; L266-L270 PolarHBondContact O-N 2.97Å |
| 267 | H | 91 | Very high | 90.9 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 173.3 | -85 | -60.5 | 0 | 0 | 0 | 112.9 | K157 V197 C199 V230 S232 G263 Q271 | K157-H267 PolarHBondContact NZ-CE1 2.62Å; K157-H267 PolarHBondContact NZ-ND1 3.05Å; V197-H267 PolarHBondContact O-CE1 2.86Å; C199-H267 PolarHBondContact N-CE1 3.41Å; C199-H267 PolarHBondContact N-NE2 3.36Å; C199-H267 PolarHBondContact SG-CE1 2.96Å; V230-H267 PolarHBondContact O-NE2 3.28Å; S232-H267 PolarHBondContact N-CD2 3.07Å; G263-H267 WeakPolarHBondContact O-CB 3.35Å; G263-H267 PolarHBondContact O-CD2 2.96Å; G263-H267 PolarHBondContact O-N 2.65Å; H267-Q271 VanDerWaalsContact O-CB 3.3Å; H267-Q271 WeakPolarHBondContact O-CB 3.18Å; H267-Q271 PolarHBondContact O-N 2.8Å |
| 268 | A | 91 | Very high | 90.4 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K264 V265 L266 S272 | K264-A268 WeakPolarHBondContact O-CB 3.4Å; K264-A268 PolarHBondContact O-N 3.18Å; V265-A268 PolarHBondContact O-N 3.31Å; L266-A268 PolarHBondContact O-N 3.03Å; A268-S272 WeakPolarHBondContact O-CB 3.49Å; A268-S272 PolarHBondContact O-N 3.2Å; A268-S272 VanDerWaalsContact O-N 3.12Å |
| 269 | S | 91.7 | Very high | 90 | Very high | 65 Ų | 65 | 59 Ų | 59 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.9 | -50.9 | 176.4 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | V265 L266 Q271 S272 V273 | V265-S269 WeakPolarHBondContact O-CB 3.47Å; V265-S269 PolarHBondContact O-N 3.43Å; L266-S269 PolarHBondContact O-N 3.34Å; S269-Q271 PolarHBondContact O-N 3.47Å; S269-S272 WeakPolarHBondContact O-CB 3.13Å; S269-S272 PolarHBondContact O-N 3.02Å; S269-V273 WeakPolarHBondContact O-CG2 3.42Å; S269-V273 PolarHBondContact O-N 3.03Å |
| 270 | L | 89.5 | Confident | 89.5 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 179.9 | -178.2 | 62.1 | 0 | 0 | 0 | 111.7 | V37 I154 K157 L266 S272 V273 L274 | V37-L270 HydrophobicContact CG1-CD1 4.26Å; V37-L270 HydrophobicContact CG2-CD1 4.08Å; I154-L270 HydrophobicContact CG2-CD1 3.89Å; I154-L270 HydrophobicContact CG2-CD2 4.18Å; K157-L270 HydrophobicContact CB-CD2 4.24Å; K157-L270 HydrophobicContact CD-CD2 3.82Å; K157-L270 HydrophobicContact CG-CD2 3.98Å; L266-L270 VanDerWaalsContact O-CB 3.3Å; L266-L270 WeakPolarHBondContact O-CB 3.44Å; L266-L270 PolarHBondContact O-N 2.97Å; L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 3.41Å; L270-V273 PolarHBondContact O-N 3.21Å; L270-L274 HydrophobicContact CD1-CD1 4.08Å; L270-L274 HydrophobicContact CD1-CG 4.11Å; L270-L274 HydrophobicContact CG-CD1 3.85Å; L270-L274 HydrophobicContact CG-CG 4.31Å; L270-L274 WeakPolarHBondContact O-CB 3.49Å; L270-L274 VanDerWaalsContact O-CG 3.26Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 2.9Å |
| 271 | Q | 89.4 | Confident | 88.8 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 24% | 0.238 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 179.4 | -162.2 | 73.5 | 25.7 | 0 | 0 | 112 | H267 S269 H275 | H267-Q271 VanDerWaalsContact O-CB 3.3Å; H267-Q271 WeakPolarHBondContact O-CB 3.18Å; H267-Q271 PolarHBondContact O-N 2.8Å; S269-Q271 PolarHBondContact O-N 3.47Å; Q271-H275 PolarHBondContact NE2-NE2 3.32Å; Q271-H275 WeakPolarHBondContact O-CB 3.41Å; Q271-H275 PolarHBondContact O-CD2 3.11Å; Q271-H275 PolarHBondContact O-N 2.81Å |
| 272 | S | 90.9 | Very high | 87.9 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.6 | -43 | 176 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | A268 S269 L270 K276 | A268-S272 WeakPolarHBondContact O-CB 3.49Å; A268-S272 PolarHBondContact O-N 3.2Å; A268-S272 VanDerWaalsContact O-N 3.12Å; S269-S272 WeakPolarHBondContact O-CB 3.13Å; S269-S272 PolarHBondContact O-N 3.02Å; L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 3.41Å; S272-K276 VanDerWaalsContact O-CB 3.25Å; S272-K276 WeakPolarHBondContact O-CB 3.48Å; S272-K276 PolarHBondContact O-N 3.01Å |
| 273 | V | 89.6 | Confident | 87 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 36% | 0.358 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | S269 L270 H275 K276 E277 | S269-V273 WeakPolarHBondContact O-CG2 3.42Å; S269-V273 PolarHBondContact O-N 3.03Å; L270-V273 PolarHBondContact O-N 3.21Å; V273-H275 PolarHBondContact O-N 2.91Å; V273-K276 WeakPolarHBondContact O-CB 3.43Å; V273-K276 PolarHBondContact O-N 2.93Å; V273-E277 WeakPolarHBondContact O-CB 3.06Å; V273-E277 PolarHBondContact O-N 3.36Å |
| 274 | L | 87 | Confident | 86.3 | Confident | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62 | -45 | -179.5 | -69.4 | 173.8 | 0 | 0 | 0 | 112.3 | T39 A158 F161 L270 K276 E277 E278 | T39-L274 HydrophobicContact CG2-CD2 3.52Å; A158-L274 HydrophobicContact CB-CD2 4.07Å; F161-L274 HydrophobicContact CB-CD1 4.1Å; F161-L274 HydrophobicContact CD1-CB 3.9Å; F161-L274 HydrophobicContact CD1-CD1 4Å; F161-L274 HydrophobicContact CD1-CD2 4.06Å; F161-L274 HydrophobicContact CD1-CG 4.21Å; F161-L274 HydrophobicContact CE1-CB 3.76Å; F161-L274 HydrophobicContact CG-CD1 3.98Å; F161-L274 HydrophobicContact CZ-CB 4.32Å; L270-L274 HydrophobicContact CD1-CD1 4.08Å; L270-L274 HydrophobicContact CD1-CG 4.11Å; L270-L274 HydrophobicContact CG-CD1 3.85Å; L270-L274 HydrophobicContact CG-CG 4.31Å; L270-L274 WeakPolarHBondContact O-CB 3.49Å; L270-L274 VanDerWaalsContact O-CG 3.26Å; L270-L274 WeakPolarHBondContact O-CG 3.47Å; L270-L274 PolarHBondContact O-N 2.9Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 2.93Å; L274-E277 PolarHBondContact O-N 3.21Å; L274-E278 WeakPolarHBondContact O-CB 3.5Å; L274-E278 PolarHBondContact O-N 2.87Å |
| 275 | H | 88.7 | Confident | 85.4 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 44% | 0.444 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 176.1 | -81.1 | -51.7 | 0 | 0 | 0 | 112.6 | Q271 V273 E278 S279 | Q271-H275 PolarHBondContact NE2-NE2 3.32Å; Q271-H275 WeakPolarHBondContact O-CB 3.41Å; Q271-H275 PolarHBondContact O-CD2 3.11Å; Q271-H275 PolarHBondContact O-N 2.81Å; V273-H275 PolarHBondContact O-N 2.91Å; H275-E278 IonicContact ND1-OE2 2.78Å; H275-S279 WeakPolarHBondContact O-CB 3.17Å; H275-S279 PolarHBondContact O-N 3.26Å |
| 276 | K | 88.1 | Confident | 84.4 | Confident | 143 Ų | 143 | 80.9 Ų | 80.9 | 62% | 0.622 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.8 | -47.1 | 175.1 | -173.1 | 176.5 | -178.8 | -178.3 | 0 | 110 | S272 V273 L274 E278 S279 L280 | S272-K276 VanDerWaalsContact O-CB 3.25Å; S272-K276 WeakPolarHBondContact O-CB 3.48Å; S272-K276 PolarHBondContact O-N 3.01Å; V273-K276 WeakPolarHBondContact O-CB 3.43Å; V273-K276 PolarHBondContact O-N 2.93Å; L274-K276 VanDerWaalsContact C-N 3.34Å; L274-K276 PolarHBondContact O-N 2.93Å; K276-E278 PolarHBondContact O-N 2.86Å; K276-S279 PolarHBondContact O-N 3.17Å; K276-S279 PolarHBondContact O-OG 3.16Å; K276-L280 HydrophobicContact CG-CD1 3.95Å; K276-L280 WeakPolarHBondContact O-CD1 3.13Å; K276-L280 PolarHBondContact O-N 3.35Å; K276-L280 VanDerWaalsContact O-N 3.12Å |
| 277 | E | 83.6 | Confident | 83.3 | Confident | 49 Ų | 49 | 82.2 Ų | 82.2 | 23% | 0.229 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.2 | -45.4 | 177.8 | -166 | 174.2 | 170.7 | 0 | 0 | 111.9 | T39 V273 L274 S279 L280 G281 | T39-E277 WeakPolarHBondContact CB-OE1 3.4Å; T39-E277 PolarHBondContact N-OE1 2.9Å; T39-E277 PolarHBondContact OG1-OE1 2.71Å; T39-E277 PolarHBondContact OG1-OE2 2.86Å; V273-E277 WeakPolarHBondContact O-CB 3.06Å; V273-E277 PolarHBondContact O-N 3.36Å; L274-E277 PolarHBondContact O-N 3.21Å; E277-S279 VanDerWaalsContact C-N 3.32Å; E277-S279 PolarHBondContact O-N 3.01Å; E277-L280 PolarHBondContact O-N 3.22Å; E277-L280 VanDerWaalsContact O-N 3.13Å; E277-G281 PolarHBondContact O-N 3.45Å |
| 278 | E | 82.9 | Confident | 81.9 | Confident | 84 Ų | 84 | 82.4 Ų | 82.4 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 175 | -173.6 | 178.4 | -172.9 | 0 | 0 | 112.1 | R191 L274 H275 K276 L280 G281 | R191-E278 IonicContact CZ-OE1 3.68Å; R191-E278 IonicContact NH1-OE1 2.99Å; R191-E278 PolarHBondContact NH1-OE1 2.95Å; R191-E278 IonicContact NH1-OE2 2.69Å; R191-E278 IonicContact NH2-OE1 2.65Å; L274-E278 WeakPolarHBondContact O-CB 3.5Å; L274-E278 PolarHBondContact O-N 2.87Å; H275-E278 IonicContact ND1-OE2 2.78Å; K276-E278 PolarHBondContact O-N 2.86Å; E278-L280 VanDerWaalsContact C-N 3.27Å; E278-L280 PolarHBondContact O-N 3.1Å; E278-G281 PolarHBondContact O-N 2.93Å; E278-G281 VanDerWaalsContact O-N 3.14Å |
| 279 | S | 85.6 | Confident | 80.6 | Confident | 97 Ų | 97 | 84.7 Ų | 84.7 | 68% | 0.678 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.7 | -26.9 | 178.6 | 76.3 | 0 | 0 | 0 | 0 | 113.7 | H275 K276 E277 | H275-S279 WeakPolarHBondContact O-CB 3.17Å; H275-S279 PolarHBondContact O-N 3.26Å; K276-S279 PolarHBondContact O-N 3.17Å; K276-S279 PolarHBondContact O-OG 3.16Å; E277-S279 VanDerWaalsContact C-N 3.32Å; E277-S279 PolarHBondContact O-N 3.01Å |
| 280 | L | 83.4 | Confident | 79 | Confident | 73 Ų | 73 | 88.6 Ų | 88.6 | 38% | 0.382 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -75.2 | -31.1 | 174.6 | -88.4 | 76.6 | 0 | 0 | 0 | 111.3 | K276 E277 E278 K283 R284 | K276-L280 HydrophobicContact CG-CD1 3.95Å; K276-L280 WeakPolarHBondContact O-CD1 3.13Å; K276-L280 PolarHBondContact O-N 3.35Å; K276-L280 VanDerWaalsContact O-N 3.12Å; E277-L280 PolarHBondContact O-N 3.22Å; E277-L280 VanDerWaalsContact O-N 3.13Å; E278-L280 VanDerWaalsContact C-N 3.27Å; E278-L280 PolarHBondContact O-N 3.1Å; L280-K283 WeakPolarHBondContact O-CB 3.41Å; L280-K283 PolarHBondContact O-N 3.26Å; L280-R284 HydrophobicContact CB-CB 4.37Å; L280-R284 HydrophobicContact CD2-CB 4.48Å |
| 281 | G | 79.8 | Confident | 77 | Confident | 36 Ų | 36 | 95.4 Ų | 95.4 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | 50.5 | -138.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E277 E278 K283 R284 | E277-G281 PolarHBondContact O-N 3.45Å; E278-G281 PolarHBondContact O-N 2.93Å; E278-G281 VanDerWaalsContact O-N 3.14Å; G281-K283 PolarHBondContact O-N 2.95Å; G281-R284 PolarHBondContact O-N 3.06Å |
| 282 | P | 72.9 | Confident | 76.4 | Confident | 139 Ų | 139 | 97.6 Ų | 97.6 | 90% | 0.903 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -70.5 | -4 | -176.3 | 30.1 | -35.8 | 0 | 0 | 0 | 114.2 | R284 | P282-R284 VanDerWaalsContact C-N 3.25Å; P282-R284 PolarHBondContact O-N 3.14Å |
| 283 | K | 74.9 | Confident | 75.6 | Confident | 193 Ų | 193 | 98.6 Ų | 98.6 | 84% | 0.839 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -74.1 | -19.8 | 176.2 | -63.6 | 178.5 | 177.6 | 171.4 | 0 | 112.1 | L280 G281 | L280-K283 WeakPolarHBondContact O-CB 3.41Å; L280-K283 PolarHBondContact O-N 3.26Å; G281-K283 PolarHBondContact O-N 2.95Å |
| 284 | R | 76.4 | Confident | 74.8 | Confident | 141 Ų | 141 | 100.8 Ų | 100.8 | 53% | 0.532 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -80.8 | 120.6 | 173.6 | -176.7 | 61 | 177 | 167.5 | 2.3 | 108.8 | L280 G281 P282 K286 | L280-R284 HydrophobicContact CB-CB 4.37Å; L280-R284 HydrophobicContact CD2-CB 4.48Å; G281-R284 PolarHBondContact O-N 3.06Å; P282-R284 VanDerWaalsContact C-N 3.25Å; P282-R284 PolarHBondContact O-N 3.14Å; R284-K286 PolarHBondContact O-N 3.3Å |
| 285 | Q | 72.6 | Confident | 74.1 | Confident | 159 Ų | 159 | 106.6 Ų | 106.6 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | trans | -66.2 | 123 | 166.8 | -70.2 | -176.4 | -10.4 | 0 | 0 | 108.5 | V287 | Q285-V287 HydrophobicContact CB-CG1 4.46Å; Q285-V287 PolarHBondContact O-N 2.75Å; Q285-V287 VanDerWaalsContact O-N 3.11Å | ||
| 286 | K | 71.5 | Confident | 73.2 | Confident | 128 Ų | 128 | 107.3 Ų | 107.3 | 56% | 0.557 | 59% | 0.594 | S | S | * | * | trans | -71 | 101.6 | 174.4 | -61.8 | 179.2 | 175.3 | -169.7 | 0 | 108 | D40 R284 G288 | D40-K286 PolarHBondContact O-NZ 2.98Å; D40-K286 IonicContact OD1-NZ 3.57Å; D40-K286 VanDerWaalsContact OD2-CE 3.23Å; D40-K286 WeakPolarHBondContact OD2-CE 3.35Å; D40-K286 IonicContact OD2-NZ 3.84Å; D40-K286 PolarHBondContact OD2-NZ 2.61Å; R284-K286 PolarHBondContact O-N 3.3Å; K286-G288 VanDerWaalsContact C-N 3.28Å | ||
| 287 | V | 69.8 | Low | 72.2 | Confident | 50 Ų | 50 | 104.9 Ų | 104.9 | 30% | 0.303 | 59% | 0.592 | S | S | . | * | trans | -96.9 | 26.9 | -177.7 | -71.1 | 0 | 0 | 0 | 0 | 111.8 | Q285 F289 L290 | Q285-V287 HydrophobicContact CB-CG1 4.46Å; Q285-V287 PolarHBondContact O-N 2.75Å; Q285-V287 VanDerWaalsContact O-N 3.11Å; V287-F289 PolarHBondContact O-N 2.68Å; V287-L290 PolarHBondContact O-N 3.1Å | ||
| 288 | G | 60.3 | Low | 71.4 | Confident | 12 Ų | 12 | 108.9 Ų | 108.9 | 12% | 0.124 | 62% | 0.618 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -52.5 | -8.5 | -159.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | E38 R50 K286 | E38-G288 WeakPolarHBondContact OE2-CA 3.14Å; R50-G288 PolarHBondContact NH1-O 2.94Å; K286-G288 VanDerWaalsContact C-N 3.28Å |
| 289 | F | 64.3 | Low | 70.5 | Confident | 114 Ų | 114 | 110.8 Ų | 110.8 | 50% | 0.5 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -154.3 | 11.9 | 167.8 | -71.1 | -77.1 | 0 | 0 | 0 | 113 | V41 R50 L59 L142 V287 | V41-F289 HydrophobicContact CG1-CD2 4.17Å; V41-F289 HydrophobicContact CG1-CE2 3.58Å; V41-F289 HydrophobicContact CG1-CZ 4.39Å; R50-F289 VanDerWaalsContact CZ-CD1 3.47Å; L59-F289 HydrophobicContact CD1-CZ 4.47Å; L59-F289 HydrophobicContact CD2-CZ 4.4Å; L142-F289 HydrophobicContact CD1-CE1 3.99Å; L142-F289 HydrophobicContact CD1-CZ 4.3Å; V287-F289 PolarHBondContact O-N 2.68Å |
| 290 | L | 57.1 | Low | 69.2 | Low | 147 Ų | 147 | 111.9 Ų | 111.9 | 77% | 0.77 | 63% | 0.632 | S | S | * | * | trans | -117.5 | 82.1 | -173.6 | -66.3 | 171 | 0 | 0 | 0 | 108.6 | V287 | V287-L290 PolarHBondContact O-N 3.1Š| ||
| 291 | G | 47.9 | Very low | 67.9 | Low | 151 Ų | 151 | 115.5 Ų | 115.5 | 100% | 1.557 | 65% | 0.654 | S | S | * | * | trans | -126.8 | 0 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 291 of 291 residues in 76.7 ms
(Link to these results)