| 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 | 61.5 | Low | 83.9 | Confident | 241 Ų | 241 | 105.1 Ų | 105.1 | 100% | 1.187 | 56% | 0.561 | S | S | * | * | 0 | 132.4 | 0 | -71.6 | 177.8 | 176.2 | 0 | 0 | 106.8 | |||||
| 2 | V | 79.5 | Confident | 84.3 | Confident | 146 Ų | 146 | 101.7 Ų | 101.7 | 89% | 0.885 | 55% | 0.547 | S | S | * | . | trans | -93.7 | 121.9 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3 | C | 82.7 | Confident | 84.6 | Confident | 64 Ų | 64 | 96.2 Ų | 96.2 | 43% | 0.432 | 53% | 0.53 | S | S | . | . | trans | -68.3 | 137.3 | 175.9 | -60.1 | 0 | 0 | 0 | 0 | 110.1 | E14 | C3-E14 WeakPolarHBondContact CB-O 3.5Å; C3-E14 PolarHBondContact SG-O 3.22Å; C3-E14 VanDerWaalsContact SG-O 3.4Å | ||
| 4 | K | 88.4 | Confident | 84.8 | Confident | 208 Ų | 208 | 99.9 Ų | 99.9 | 90% | 0.904 | 54% | 0.541 | S | S | * | . | trans | -92.9 | 114.4 | 169.7 | -78.8 | -175.5 | 176.2 | 177.6 | 0 | 109 | ||||
| 5 | C | 90.2 | Very high | 84.9 | Confident | 24 Ų | 24 | 102.4 Ų | 102.4 | 16% | 0.162 | 55% | 0.548 | C | S | . | . | trans | -79 | 145.5 | 177.2 | -59.3 | 0 | 0 | 0 | 0 | 112 | N7 I11 C16 | C5-N7 PolarHBondContact O-N 3.41Å; C5-I11 HydrophobicContact CB-CB 4.5Å; C5-I11 HydrophobicContact CB-CG2 4.23Å; C5-C16 WeakPolarHBondContact CA-SG 3.28Å; C5-C16 HydrophobicContact CB-CB 3.81Å; C5-C16 WeakPolarHBondContact CB-SG 3.36Å; C5-C16 WeakPolarHBondContact SG-CA 3.48Å; C5-C16 WeakPolarHBondContact SG-CB 3.13Å; C5-C16 CovalentContact SG-SG 2.03Å; C5-C16 PolarHBondContact SG-SG 3.22Å | ||
| 6 | P | 84.6 | Confident | 85.1 | Confident | 84 Ų | 84 | 98.1 Ų | 98.1 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -65.4 | 131 | 167.5 | 27.4 | -30.9 | 0 | 0 | 0 | 108.7 | I11 | P6-I11 HydrophobicContact CG-CD1 4.2Å; P6-I11 WeakPolarHBondContact O-CB 2.98Å; P6-I11 WeakPolarHBondContact O-CD1 3.02Å |
| 7 | N | 85.6 | Confident | 85.3 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | S | Bend | trans | 53.5 | 73.1 | -177.4 | -56.9 | -47.7 | 0 | 0 | 0 | 113.3 | C5 E9 F10 I11 F50 | C5-N7 PolarHBondContact O-N 3.41Å; N7-E9 PolarHBondContact O-N 3.21Å; N7-F10 HydrophobicContact CB-CD2 4.34Å; N7-F10 PolarHBondContact O-N 3.07Å; N7-I11 PolarHBondContact O-N 3.42Å; N7-F50 HydrophobicContact CB-CE2 4.45Å |
| 8 | P | 86.2 | Confident | 85.5 | Confident | 99 Ų | 99 | 99.8 Ų | 99.8 | 64% | 0.643 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15 | -173.9 | 27.7 | -36.5 | 0 | 0 | 0 | 114.1 | I11 T12 | P8-I11 WeakPolarHBondContact CA-O 3.08Å; P8-T12 WeakPolarHBondContact O-CG2 3.5Å |
| 9 | E | 86.3 | Confident | 85.8 | Confident | 157 Ų | 157 | 96.3 Ų | 96.3 | 73% | 0.734 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -27.5 | 175.6 | -60.9 | -172.2 | 171.9 | 0 | 0 | 112.8 | N7 | N7-E9 PolarHBondContact O-N 3.21Š|
| 10 | F | 87.6 | Confident | 86 | Confident | 26 Ų | 26 | 98.9 Ų | 98.9 | 11% | 0.114 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | -25 | -174.6 | -55.3 | -67.4 | 0 | 0 | 0 | 113.1 | N7 I19 K20 A22 F50 E52 | N7-F10 HydrophobicContact CB-CD2 4.34Å; N7-F10 PolarHBondContact O-N 3.07Å; F10-I19 CarbonylContact O-C 3.6Å; F10-K20 PolarHBondContact O-N 3.02Å; F10-A22 HydrophobicContact CD1-CB 4.43Å; F10-A22 HydrophobicContact CE1-CB 3.72Å; F10-F50 HydrophobicContact CB-CD1 3.46Å; F10-F50 VanDerWaalsContact CB-CD1 3.46Å; F10-F50 HydrophobicContact CB-CD2 4.42Å; F10-F50 HydrophobicContact CB-CE1 3.58Å; F10-F50 HydrophobicContact CB-CG 3.9Å; F10-F50 HydrophobicContact CB-CZ 4.14Å; F10-F50 HydrophobicContact CD1-CB 4.07Å; F10-F50 HydrophobicContact CD1-CD1 4.44Å; F10-F50 HydrophobicContact CD1-CG 4.35Å; F10-F50 HydrophobicContact CD2-CB 4.22Å; F10-F50 HydrophobicContact CD2-CD1 4.42Å; F10-F50 HydrophobicContact CD2-CD2 4.02Å; F10-F50 HydrophobicContact CD2-CE2 4.49Å; F10-F50 AromaticContact CD2-CG 3.98Å; F10-F50 HydrophobicContact CD2-CG 3.98Å; F10-F50 HydrophobicContact CE1-CB 4.4Å; F10-F50 HydrophobicContact CG-CB 3.99Å; F10-F50 AromaticContact CG-CD1 3.87Å; F10-F50 HydrophobicContact CG-CD1 3.87Å; F10-F50 HydrophobicContact CG-CD2 4.28Å; F10-F50 HydrophobicContact CG-CE1 4.38Å; F10-F50 AromaticContact CG-CG 3.79Å; F10-F50 HydrophobicContact CG-CG 3.79Å; F10-E52 WeakPolarHBondContact CE2-OE2 3.18Å; F10-E52 HydrophobicContact CZ-CB 3.95Å; F10-E52 WeakPolarHBondContact CZ-OE2 3.26Å |
| 11 | I | 90.4 | Very high | 86.2 | Confident | 13 Ų | 13 | 94.9 Ų | 94.9 | 7% | 0.067 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 119.2 | 177.6 | -55 | 176.8 | 0 | 0 | 0 | 108.4 | C5 P6 N7 P8 C16 K18 I19 W36 F50 | C5-I11 HydrophobicContact CB-CB 4.5Å; C5-I11 HydrophobicContact CB-CG2 4.23Å; P6-I11 HydrophobicContact CG-CD1 4.2Å; P6-I11 WeakPolarHBondContact O-CB 2.98Å; P6-I11 WeakPolarHBondContact O-CD1 3.02Å; N7-I11 PolarHBondContact O-N 3.42Å; P8-I11 WeakPolarHBondContact CA-O 3.08Å; I11-C16 HydrophobicContact CG2-CB 3.66Å; I11-C16 VanDerWaalsContact CG2-O 3.31Å; I11-C16 WeakPolarHBondContact CG2-O 3.27Å; I11-K18 WeakPolarHBondContact CA-O 3.43Å; I11-I19 HydrophobicContact CG1-CG1 4.45Å; I11-W36 HydrophobicContact CD1-CH2 3.88Å; I11-W36 HydrophobicContact CD1-CZ2 3.71Å; I11-W36 HydrophobicContact CG1-CH2 4.35Å; I11-W36 HydrophobicContact CG1-CZ2 4.37Å; I11-F50 HydrophobicContact CD1-CE1 4.34Å; I11-F50 HydrophobicContact CD1-CZ 3.96Å; I11-F50 HydrophobicContact CG1-CE1 4.08Å; I11-F50 HydrophobicContact CG1-CZ 4.11Å |
| 12 | T | 88.8 | Confident | 87.4 | Confident | 64 Ų | 64 | 84.2 Ų | 84.2 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 171.3 | -175.5 | 59.3 | 0 | 0 | 0 | 0 | 110.3 | P8 C16 E17 K18 | P8-T12 WeakPolarHBondContact O-CG2 3.5Å; T12-C16 CarbonylContact O-C 3.42Å; T12-C16 WeakPolarHBondContact O-CA 3.38Å; T12-E17 PolarHBondContact O-N 3.49Å; T12-K18 PolarHBondContact N-O 3.26Å; T12-K18 WeakPolarHBondContact O-CA 3.29Å; T12-K18 VanDerWaalsContact O-CB 3.31Å; T12-K18 WeakPolarHBondContact O-CB 3.36Å; T12-K18 PolarHBondContact O-N 3.47Å; T12-K18 WeakPolarHBondContact OG1-CB 3.49Å; T12-K18 PolarHBondContact OG1-O 3.16Å |
| 13 | G | 88.1 | Confident | 87.6 | Confident | 31 Ų | 31 | 80.8 Ų | 80.8 | 32% | 0.32 | 42% | 0.421 | S | S | . | . | S | Bend | trans | 119.7 | 168.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H15 E17 | G13-H15 VanDerWaalsContact C-N 3.25Å; G13-E17 WeakPolarHBondContact CA-OE1 3.38Å |
| 14 | E | 86.8 | Confident | 87.6 | Confident | 148 Ų | 148 | 85.8 Ų | 85.8 | 69% | 0.692 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -71.4 | -29.2 | 177.2 | -169.8 | 171.4 | 178.1 | 0 | 0 | 111.1 | C3 E17 | C3-E14 WeakPolarHBondContact CB-O 3.5Å; C3-E14 PolarHBondContact SG-O 3.22Å; C3-E14 VanDerWaalsContact SG-O 3.4Å; E14-E17 PolarHBondContact N-OE2 3.01Å |
| 15 | H | 86.8 | Confident | 87.4 | Confident | 137 Ų | 137 | 76.6 Ų | 76.6 | 63% | 0.634 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -123.9 | 21.7 | 178.4 | -59 | -61.8 | 0 | 0 | 0 | 112.4 | G13 E17 | G13-H15 VanDerWaalsContact C-N 3.25Å; H15-E17 VanDerWaalsContact CA-OE2 3.29Å; H15-E17 WeakPolarHBondContact CA-OE2 3.31Å; H15-E17 PolarHBondContact N-OE2 3.38Å; H15-E17 PolarHBondContact O-N 2.76Å |
| 16 | C | 88.6 | Confident | 87.3 | Confident | 34 Ų | 34 | 78.3 Ų | 78.3 | 23% | 0.23 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 62.1 | 29.6 | 179.4 | -46.4 | 0 | 0 | 0 | 0 | 113.7 | C5 I11 T12 | C5-C16 WeakPolarHBondContact CA-SG 3.28Å; C5-C16 HydrophobicContact CB-CB 3.81Å; C5-C16 WeakPolarHBondContact CB-SG 3.36Å; C5-C16 WeakPolarHBondContact SG-CA 3.48Å; C5-C16 WeakPolarHBondContact SG-CB 3.13Å; C5-C16 CovalentContact SG-SG 2.03Å; C5-C16 PolarHBondContact SG-SG 3.22Å; I11-C16 HydrophobicContact CG2-CB 3.66Å; I11-C16 VanDerWaalsContact CG2-O 3.31Å; I11-C16 WeakPolarHBondContact CG2-O 3.27Å; T12-C16 CarbonylContact O-C 3.42Å; T12-C16 WeakPolarHBondContact O-CA 3.38Å |
| 17 | E | 89 | Confident | 87.5 | Confident | 99 Ų | 99 | 77.6 Ų | 77.6 | 46% | 0.463 | 40% | 0.403 | S | S | . | . | trans | -82.6 | -15.8 | -175.3 | 71.4 | -72.8 | 166.7 | 0 | 0 | 113.9 | T12 G13 E14 H15 | T12-E17 PolarHBondContact O-N 3.49Å; G13-E17 WeakPolarHBondContact CA-OE1 3.38Å; E14-E17 PolarHBondContact N-OE2 3.01Å; H15-E17 VanDerWaalsContact CA-OE2 3.29Å; H15-E17 WeakPolarHBondContact CA-OE2 3.31Å; H15-E17 PolarHBondContact N-OE2 3.38Å; H15-E17 PolarHBondContact O-N 2.76Å | ||
| 18 | K | 88.3 | Confident | 87.7 | Confident | 127 Ų | 127 | 79.6 Ų | 79.6 | 55% | 0.552 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 105.7 | -176.5 | -58.7 | 177.8 | -174.8 | 172.4 | 0 | 110.2 | I11 T12 | I11-K18 WeakPolarHBondContact CA-O 3.43Å; T12-K18 PolarHBondContact N-O 3.26Å; T12-K18 WeakPolarHBondContact O-CA 3.29Å; T12-K18 VanDerWaalsContact O-CB 3.31Å; T12-K18 WeakPolarHBondContact O-CB 3.36Å; T12-K18 PolarHBondContact O-N 3.47Å; T12-K18 WeakPolarHBondContact OG1-CB 3.49Å; T12-K18 PolarHBondContact OG1-O 3.16Å |
| 19 | I | 90.3 | Very high | 87.8 | Confident | 34 Ų | 34 | 79.4 Ų | 79.4 | 17% | 0.174 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135.1 | 174 | -55.8 | 111.6 | 0 | 0 | 0 | 110.2 | F10 I11 L27 W36 F50 | F10-I19 CarbonylContact O-C 3.6Å; I11-I19 HydrophobicContact CG1-CG1 4.45Å; I19-L27 HydrophobicContact CB-CD1 4.01Å; I19-L27 HydrophobicContact CB-CD2 4.4Å; I19-L27 HydrophobicContact CG2-CD1 3.73Å; I19-W36 HydrophobicContact CB-CD2 4.31Å; I19-W36 HydrophobicContact CB-CE3 4.33Å; I19-W36 HydrophobicContact CD1-CB 4.31Å; I19-W36 HydrophobicContact CD1-CD2 3.66Å; I19-W36 HydrophobicContact CD1-CE3 4.49Å; I19-W36 HydrophobicContact CD1-CG 3.52Å; I19-W36 HydrophobicContact CD1-CZ2 4.37Å; I19-W36 HydrophobicContact CG1-CD2 3.71Å; I19-W36 HydrophobicContact CG1-CE3 4.16Å; I19-W36 HydrophobicContact CG1-CG 4.14Å; I19-W36 HydrophobicContact CG1-CH2 4.25Å; I19-W36 HydrophobicContact CG1-CZ2 3.81Å; I19-W36 HydrophobicContact CG1-CZ3 4.41Å; I19-W36 HydrophobicContact CG2-CD2 4.03Å; I19-W36 HydrophobicContact CG2-CE3 3.57Å; I19-W36 HydrophobicContact CG2-CH2 3.92Å; I19-W36 HydrophobicContact CG2-CZ2 4.33Å; I19-W36 HydrophobicContact CG2-CZ3 3.5Å; I19-F50 HydrophobicContact CG2-CE1 4.31Å |
| 20 | K | 90 | Very high | 87.7 | Confident | 148 Ų | 148 | 76.2 Ų | 76.2 | 64% | 0.643 | 38% | 0.384 | S | S | * | . | trans | -124.5 | 129.9 | 174.1 | -174.1 | 179.7 | 178.5 | -176 | 0 | 109.7 | F10 | F10-K20 PolarHBondContact O-N 3.02Š| ||
| 21 | C | 90.3 | Very high | 87.2 | Confident | 14 Ų | 14 | 81 Ų | 81 | 10% | 0.095 | 42% | 0.418 | C | S | . | . | trans | -86.9 | 143.9 | 172.7 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | G25 C38 | C21-G25 VanDerWaalsContact CB-O 3.29Å; C21-G25 WeakPolarHBondContact CB-O 3.41Å; C21-C38 WeakPolarHBondContact CA-SG 3.11Å; C21-C38 HydrophobicContact CB-CB 3.73Å; C21-C38 WeakPolarHBondContact CB-SG 3.47Å; C21-C38 VanDerWaalsContact SG-CA 3.51Å; C21-C38 WeakPolarHBondContact SG-CB 3.45Å; C21-C38 CovalentContact SG-SG 2.03Å; C21-C38 PolarHBondContact SG-SG 3.08Å | ||
| 22 | A | 87.9 | Confident | 86.7 | Confident | 18 Ų | 18 | 84.8 Ų | 84.8 | 15% | 0.149 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -75.8 | 164.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F10 Q24 G25 F50 E52 | F10-A22 HydrophobicContact CD1-CB 4.43Å; F10-A22 HydrophobicContact CE1-CB 3.72Å; A22-Q24 PolarHBondContact O-N 2.83Å; A22-G25 PolarHBondContact O-N 3.45Å; A22-F50 WeakPolarHBondContact CA-O 3.44Å; A22-F50 WeakPolarHBondContact CB-O 3.31Å; A22-F50 PolarHBondContact N-O 3.21Å; A22-E52 HydrophobicContact CB-CB 4.32Å |
| 23 | N | 83.6 | Confident | 86.4 | Confident | 73 Ų | 73 | 87.1 Ų | 87.1 | 39% | 0.39 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 39.9 | 168.4 | -59.7 | -48.7 | 0 | 0 | 0 | 115 | G25 T43 F46 C51 | N23-G25 PolarHBondContact O-N 3.5Å; N23-T43 WeakPolarHBondContact O-CG2 3.43Å; N23-F46 HydrophobicContact CB-CD1 4.13Å; N23-F46 HydrophobicContact CB-CE1 4.21Å; N23-F46 HydrophobicContact CB-CG 4.26Å; N23-F46 HydrophobicContact CB-CZ 4.44Å; N23-F46 WeakPolarHBondContact ND2-CD1 3.49Å; N23-F46 WeakPolarHBondContact ND2-CE1 2.98Å; N23-C51 PolarHBondContact ND2-O 3.31Å |
| 24 | Q | 82.3 | Confident | 86 | Confident | 170 Ų | 170 | 91 Ų | 91 | 79% | 0.794 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 21.1 | -179.2 | -53.1 | 177.2 | -6.1 | 0 | 0 | 114.6 | A22 | A22-Q24 PolarHBondContact O-N 2.83Š|
| 25 | G | 84.1 | Confident | 86 | Confident | 15 Ų | 15 | 87.3 Ų | 87.3 | 16% | 0.155 | 47% | 0.471 | C | S | . | . | trans | -57.6 | 142.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | C21 A22 N23 | C21-G25 VanDerWaalsContact CB-O 3.29Å; C21-G25 WeakPolarHBondContact CB-O 3.41Å; A22-G25 PolarHBondContact O-N 3.45Å; N23-G25 PolarHBondContact O-N 3.5Å | ||
| 26 | V | 87.8 | Confident | 86.1 | Confident | 59 Ų | 59 | 85 Ų | 85 | 36% | 0.358 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 122.4 | -179.4 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | R28 D39 | V26-R28 PolarHBondContact O-N 2.89Å; V26-D39 HydrophobicContact CB-CB 4.42Å; V26-D39 PolarHBondContact N-O 2.87Å; V26-D39 WeakPolarHBondContact O-CB 3.35Å; V26-D39 PolarHBondContact O-N 3.22Å |
| 27 | L | 89.1 | Confident | 86.1 | Confident | 69 Ų | 69 | 88.9 Ų | 88.9 | 36% | 0.361 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 114.3 | 174.6 | -174.8 | 71.8 | 0 | 0 | 0 | 109.5 | I19 V29 W36 | I19-L27 HydrophobicContact CB-CD1 4.01Å; I19-L27 HydrophobicContact CB-CD2 4.4Å; I19-L27 HydrophobicContact CG2-CD1 3.73Å; L27-V29 HydrophobicContact CD2-CG2 4.22Å; L27-V29 HydrophobicContact CG-CG2 4.27Å; L27-W36 HydrophobicContact CD1-CB 4.24Å; L27-W36 HydrophobicContact CD1-CE3 4.21Å |
| 28 | R | 89.1 | Confident | 86.2 | Confident | 136 Ų | 136 | 84.5 Ų | 84.5 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.1 | 170.9 | -67.9 | -166.8 | -176.7 | -142.8 | 4.8 | 109.5 | V26 F30 W36 Q37 D39 | V26-R28 PolarHBondContact O-N 2.89Å; R28-F30 HydrophobicContact CB-CE2 4.39Å; R28-W36 CarbonylContact O-C 3.39Å; R28-W36 WeakPolarHBondContact O-CA 3.02Å; R28-Q37 PolarHBondContact N-O 2.9Å; R28-Q37 PolarHBondContact O-N 3.47Å; R28-D39 HydrophobicContact CG-CB 4Å; R28-D39 IonicContact CZ-OD2 3.1Å; R28-D39 IonicContact NE-OD2 2.78Å; R28-D39 PolarHBondContact NE-OD2 2.93Å; R28-D39 IonicContact NH2-OD2 2.72Å; R28-D39 PolarHBondContact NH2-OD2 2.95Å |
| 29 | V | 87.9 | Confident | 86.2 | Confident | 95 Ų | 95 | 80.1 Ų | 80.1 | 58% | 0.576 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124 | 172.6 | -175.9 | 0 | 0 | 0 | 0 | 107.6 | L27 P31 W36 | L27-V29 HydrophobicContact CD2-CG2 4.22Å; L27-V29 HydrophobicContact CG-CG2 4.27Å; V29-P31 VanDerWaalsContact O-CD 3.25Å; V29-P31 WeakPolarHBondContact O-CD 3.4Å; V29-W36 HydrophobicContact CG2-CB 4.48Å |
| 30 | F | 85.3 | Confident | 86 | Confident | 90 Ų | 90 | 79.3 Ų | 79.3 | 40% | 0.395 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 105.9 | 176.8 | -65.6 | -83.2 | 0 | 0 | 0 | 109 | R28 A32 N33 S34 T35 Q37 | R28-F30 HydrophobicContact CB-CE2 4.39Å; F30-A32 PolarHBondContact O-N 2.97Å; F30-A32 VanDerWaalsContact O-N 3.14Å; F30-N33 PolarHBondContact O-N 2.88Å; F30-S34 PolarHBondContact O-N 2.94Å; F30-T35 PolarHBondContact N-O 2.93Å; F30-Q37 HydrophobicContact CE2-CB 4.1Å |
| 31 | P | 76.8 | Confident | 85.5 | Confident | 128 Ų | 128 | 75.9 Ų | 75.9 | 83% | 0.831 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.4 | -174.3 | 24.8 | -33.3 | 0 | 0 | 0 | 113.1 | V29 | V29-P31 VanDerWaalsContact O-CD 3.25Å; V29-P31 WeakPolarHBondContact O-CD 3.4Å |
| 32 | A | 80.8 | Confident | 84.5 | Confident | 91 Ų | 91 | 82.1 Ų | 82.1 | 75% | 0.752 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -33 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F30 | F30-A32 PolarHBondContact O-N 2.97Å; F30-A32 VanDerWaalsContact O-N 3.14Å |
| 33 | N | 80.8 | Confident | 83.5 | Confident | 113 Ų | 113 | 82.4 Ų | 82.4 | 60% | 0.604 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | 4 | -169.9 | -67.9 | -19.6 | 0 | 0 | 0 | 113.5 | F30 T35 | F30-N33 PolarHBondContact O-N 2.88Å; N33-T35 HydrophobicContact CB-CG2 3.99Å; N33-T35 PolarHBondContact O-N 3.02Å |
| 34 | S | 81.1 | Confident | 82.8 | Confident | 113 Ų | 113 | 87.7 Ų | 87.7 | 79% | 0.79 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 15.4 | -169.7 | 67.2 | 0 | 0 | 0 | 0 | 114.4 | F30 | F30-S34 PolarHBondContact O-N 2.94Š|
| 35 | T | 86.3 | Confident | 82.1 | Confident | 70 Ų | 70 | 85.7 Ų | 85.7 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 143 | 178.5 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | F30 N33 | F30-T35 PolarHBondContact N-O 2.93Å; N33-T35 HydrophobicContact CB-CG2 3.99Å; N33-T35 PolarHBondContact O-N 3.02Å |
| 36 | W | 88.2 | Confident | 81.8 | Confident | 90 Ų | 90 | 87.2 Ų | 87.2 | 34% | 0.341 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 152.6 | 174.2 | 56 | -94.2 | 0 | 0 | 0 | 109.9 | I11 I19 L27 R28 V29 F50 | I11-W36 HydrophobicContact CD1-CH2 3.88Å; I11-W36 HydrophobicContact CD1-CZ2 3.71Å; I11-W36 HydrophobicContact CG1-CH2 4.35Å; I11-W36 HydrophobicContact CG1-CZ2 4.37Å; I19-W36 HydrophobicContact CB-CD2 4.31Å; I19-W36 HydrophobicContact CB-CE3 4.33Å; I19-W36 HydrophobicContact CD1-CB 4.31Å; I19-W36 HydrophobicContact CD1-CD2 3.66Å; I19-W36 HydrophobicContact CD1-CE3 4.49Å; I19-W36 HydrophobicContact CD1-CG 3.52Å; I19-W36 HydrophobicContact CD1-CZ2 4.37Å; I19-W36 HydrophobicContact CG1-CD2 3.71Å; I19-W36 HydrophobicContact CG1-CE3 4.16Å; I19-W36 HydrophobicContact CG1-CG 4.14Å; I19-W36 HydrophobicContact CG1-CH2 4.25Å; I19-W36 HydrophobicContact CG1-CZ2 3.81Å; I19-W36 HydrophobicContact CG1-CZ3 4.41Å; I19-W36 HydrophobicContact CG2-CD2 4.03Å; I19-W36 HydrophobicContact CG2-CE3 3.57Å; I19-W36 HydrophobicContact CG2-CH2 3.92Å; I19-W36 HydrophobicContact CG2-CZ2 4.33Å; I19-W36 HydrophobicContact CG2-CZ3 3.5Å; L27-W36 HydrophobicContact CD1-CB 4.24Å; L27-W36 HydrophobicContact CD1-CE3 4.21Å; R28-W36 CarbonylContact O-C 3.39Å; R28-W36 WeakPolarHBondContact O-CA 3.02Å; V29-W36 HydrophobicContact CG2-CB 4.48Å; W36-F50 HydrophobicContact CH2-CD1 4.49Å; W36-F50 AromaticContact CH2-CE1 3.41Å; W36-F50 HydrophobicContact CH2-CE1 3.41Å; W36-F50 VanDerWaalsContact CH2-CE1 3.41Å; W36-F50 AromaticContact CH2-CZ 3.62Å; W36-F50 HydrophobicContact CH2-CZ 3.62Å; W36-F50 HydrophobicContact CZ3-CD1 4.31Å; W36-F50 AromaticContact CZ3-CE1 3.6Å; W36-F50 HydrophobicContact CZ3-CE1 3.6Å; W36-F50 HydrophobicContact CZ3-CZ 4.18Å |
| 37 | Q | 89.9 | Confident | 81.1 | Confident | 115 Ų | 115 | 84.9 Ų | 84.9 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 141.6 | 174.3 | -167.2 | 172.5 | 13.7 | 0 | 0 | 109.9 | R28 F30 | R28-Q37 PolarHBondContact N-O 2.9Å; R28-Q37 PolarHBondContact O-N 3.47Å; F30-Q37 HydrophobicContact CE2-CB 4.1Å |
| 38 | C | 89.8 | Confident | 80.8 | Confident | 7 Ų | 7 | 84 Ų | 84 | 5% | 0.047 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 122.6 | 169.6 | -66.9 | 0 | 0 | 0 | 0 | 109.9 | C21 T49 | C21-C38 WeakPolarHBondContact CA-SG 3.11Å; C21-C38 HydrophobicContact CB-CB 3.73Å; C21-C38 WeakPolarHBondContact CB-SG 3.47Å; C21-C38 VanDerWaalsContact SG-CA 3.51Å; C21-C38 WeakPolarHBondContact SG-CB 3.45Å; C21-C38 CovalentContact SG-SG 2.03Å; C21-C38 PolarHBondContact SG-SG 3.08Å; C38-T49 WeakPolarHBondContact CB-O 3.29Å |
| 39 | D | 88.6 | Confident | 80.5 | Confident | 34 Ų | 34 | 81.9 Ų | 81.9 | 18% | 0.182 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 109.2 | 171.3 | -175.5 | 2.8 | 0 | 0 | 0 | 109.4 | V26 R28 S41 | V26-D39 HydrophobicContact CB-CB 4.42Å; V26-D39 PolarHBondContact N-O 2.87Å; V26-D39 WeakPolarHBondContact O-CB 3.35Å; V26-D39 PolarHBondContact O-N 3.22Å; R28-D39 HydrophobicContact CG-CB 4Å; R28-D39 IonicContact CZ-OD2 3.1Å; R28-D39 IonicContact NE-OD2 2.78Å; R28-D39 PolarHBondContact NE-OD2 2.93Å; R28-D39 IonicContact NH2-OD2 2.72Å; R28-D39 PolarHBondContact NH2-OD2 2.95Å; D39-S41 VanDerWaalsContact C-N 3.33Å; D39-S41 WeakPolarHBondContact OD1-CB 3.43Å; D39-S41 PolarHBondContact OD1-N 2.97Å; D39-S41 PolarHBondContact OD1-OG 3.04Å; D39-S41 PolarHBondContact OD2-OG 3.07Å |
| 40 | C | 87.1 | Confident | 80.4 | Confident | 18 Ų | 18 | 77.8 Ų | 77.8 | 12% | 0.122 | 43% | 0.429 | C | S | . | . | trans | -91.9 | 7.7 | 178.6 | -42.3 | 0 | 0 | 0 | 0 | 112.6 | E42 T43 F46 C51 | C40-E42 VanDerWaalsContact C-N 3.26Å; C40-E42 PolarHBondContact O-N 3.09Å; C40-T43 CarbonylContact O-C 3.32Å; C40-T43 WeakPolarHBondContact O-CA 3.02Å; C40-T43 PolarHBondContact O-N 2.65Å; C40-T43 VanDerWaalsContact O-O 3.04Å; C40-T43 PolarHBondContact O-OG1 3.37Å; C40-F46 WeakPolarHBondContact CB-O 3.49Å; C40-C51 WeakPolarHBondContact CA-SG 3.16Å; C40-C51 HydrophobicContact CB-CB 3.81Å; C40-C51 WeakPolarHBondContact CB-SG 3.44Å; C40-C51 WeakPolarHBondContact SG-CA 3.36Å; C40-C51 WeakPolarHBondContact SG-CB 3.24Å; C40-C51 CovalentContact SG-SG 2.02Å; C40-C51 PolarHBondContact SG-SG 2.83Å | ||
| 41 | S | 78.6 | Confident | 80.5 | Confident | 76 Ų | 76 | 73.5 Ų | 73.5 | 53% | 0.531 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.2 | -171.8 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | D39 T43 | D39-S41 VanDerWaalsContact C-N 3.33Å; D39-S41 WeakPolarHBondContact OD1-CB 3.43Å; D39-S41 PolarHBondContact OD1-N 2.97Å; D39-S41 PolarHBondContact OD1-OG 3.04Å; D39-S41 PolarHBondContact OD2-OG 3.07Å; S41-T43 PolarHBondContact O-N 3.4Å |
| 42 | E | 70.2 | Confident | 80.9 | Confident | 144 Ų | 144 | 71.2 Ų | 71.2 | 67% | 0.673 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.7 | 174.3 | -66.3 | -165.7 | 167.7 | 0 | 0 | 111.7 | C40 | C40-E42 VanDerWaalsContact C-N 3.26Å; C40-E42 PolarHBondContact O-N 3.09Å |
| 43 | T | 66.9 | Low | 80.8 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 15% | 0.153 | 38% | 0.38 | C | S | . | . | trans | -107.7 | 84.5 | -179.3 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | N23 C40 S41 F45 F46 | N23-T43 WeakPolarHBondContact O-CG2 3.43Å; C40-T43 CarbonylContact O-C 3.32Å; C40-T43 WeakPolarHBondContact O-CA 3.02Å; C40-T43 PolarHBondContact O-N 2.65Å; C40-T43 VanDerWaalsContact O-O 3.04Å; C40-T43 PolarHBondContact O-OG1 3.37Å; S41-T43 PolarHBondContact O-N 3.4Å; T43-F45 PolarHBondContact O-N 3.46Å; T43-F46 HydrophobicContact CG2-CD2 4.43Å; T43-F46 PolarHBondContact O-N 3.33Å | ||
| 44 | K | 67.6 | Low | 80.5 | Confident | 183 Ų | 183 | 72.8 Ų | 72.8 | 80% | 0.796 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -14 | 179.9 | -70.4 | -175.5 | 179.6 | 177.8 | 0 | 115.8 | ||
| 45 | F | 69.2 | Low | 79.9 | Confident | 129 Ų | 129 | 72.7 Ų | 72.7 | 57% | 0.566 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -8.3 | -174.8 | -56.3 | -60.9 | 0 | 0 | 0 | 113.7 | T43 L54 I55 V56 | T43-F45 PolarHBondContact O-N 3.46Å; F45-L54 CarbonylContact O-C 3.51Å; F45-L54 VanDerWaalsContact O-CA 3.23Å; F45-L54 WeakPolarHBondContact O-CA 3.23Å; F45-I55 PolarHBondContact O-N 2.03Å; F45-V56 HydrophobicContact CB-CG2 3.78Å; F45-V56 HydrophobicContact CD1-CG2 3.32Å; F45-V56 HydrophobicContact CE1-CG2 4.27Å; F45-V56 HydrophobicContact CG-CG2 3.97Å |
| 46 | F | 75.9 | Confident | 78.7 | Confident | 47 Ų | 47 | 71.6 Ų | 71.6 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145 | -177.3 | -61.4 | -98.4 | 0 | 0 | 0 | 111.1 | N23 C40 T43 K53 L54 I55 | N23-F46 HydrophobicContact CB-CD1 4.13Å; N23-F46 HydrophobicContact CB-CE1 4.21Å; N23-F46 HydrophobicContact CB-CG 4.26Å; N23-F46 HydrophobicContact CB-CZ 4.44Å; N23-F46 WeakPolarHBondContact ND2-CD1 3.49Å; N23-F46 WeakPolarHBondContact ND2-CE1 2.98Å; C40-F46 WeakPolarHBondContact CB-O 3.49Å; T43-F46 HydrophobicContact CG2-CD2 4.43Å; T43-F46 PolarHBondContact O-N 3.33Å; F46-K53 CarbonylContact C-O 3.5Å; F46-K53 VanDerWaalsContact CA-O 3.28Å; F46-K53 WeakPolarHBondContact CA-O 3.41Å; F46-L54 HydrophobicContact CD1-CD1 3.85Å; F46-L54 HydrophobicContact CD1-CG 3.77Å; F46-L54 HydrophobicContact CE1-CD1 3.32Å; F46-L54 HydrophobicContact CE1-CD2 4.26Å; F46-L54 HydrophobicContact CE1-CG 3.46Å; F46-L54 VanDerWaalsContact CE1-CG 3.46Å; F46-L54 HydrophobicContact CZ-CD1 4.1Å; F46-L54 HydrophobicContact CZ-CD2 4.31Å; F46-L54 HydrophobicContact CZ-CG 3.98Å; F46-I55 VanDerWaalsContact C-CD1 3.43Å; F46-I55 VanDerWaalsContact O-CD1 3.25Å; F46-I55 WeakPolarHBondContact O-CD1 3.28Å |
| 47 | G | 74.3 | Confident | 77.5 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | -172.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | C51 K53 | G47-C51 CarbonylContact O-C 3.58Å; G47-C51 WeakPolarHBondContact O-CA 3.38Å; G47-K53 PolarHBondContact N-O 2.87Å; G47-K53 PolarHBondContact O-N 3.36Å; G47-K53 VanDerWaalsContact O-N 3.15Å; G47-K53 VanDerWaalsContact O-O 3.14Å |
| 48 | S | 81.5 | Confident | 76.2 | Confident | 50 Ų | 50 | 67.9 Ų | 67.9 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 90.3 | 172.9 | -163.6 | 80 | 0 | 0 | 0 | 0 | 113.8 | F50 C51 E52 | S48-F50 PolarHBondContact O-N 2.8Å; S48-F50 PolarHBondContact OG-N 2.83Å; S48-C51 PolarHBondContact O-N 3.33Å; S48-C51 PolarHBondContact OG-N 3.42Å; S48-E52 PolarHBondContact OG-N 3.01Å |
| 49 | T | 83.5 | Confident | 75.1 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 56% | 0.564 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.5 | 177.9 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | C38 | C38-T49 WeakPolarHBondContact CB-O 3.29Š|
| 50 | F | 86.5 | Confident | 74.7 | Confident | 9 Ų | 9 | 81.4 Ų | 81.4 | 4% | 0.039 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 10.4 | -179.4 | -61.9 | -75.8 | 0 | 0 | 0 | 113.7 | N7 F10 I11 I19 A22 W36 S48 E52 | N7-F50 HydrophobicContact CB-CE2 4.45Å; F10-F50 HydrophobicContact CB-CD1 3.46Å; F10-F50 VanDerWaalsContact CB-CD1 3.46Å; F10-F50 HydrophobicContact CB-CD2 4.42Å; F10-F50 HydrophobicContact CB-CE1 3.58Å; F10-F50 HydrophobicContact CB-CG 3.9Å; F10-F50 HydrophobicContact CB-CZ 4.14Å; F10-F50 HydrophobicContact CD1-CB 4.07Å; F10-F50 HydrophobicContact CD1-CD1 4.44Å; F10-F50 HydrophobicContact CD1-CG 4.35Å; F10-F50 HydrophobicContact CD2-CB 4.22Å; F10-F50 HydrophobicContact CD2-CD1 4.42Å; F10-F50 HydrophobicContact CD2-CD2 4.02Å; F10-F50 HydrophobicContact CD2-CE2 4.49Å; F10-F50 AromaticContact CD2-CG 3.98Å; F10-F50 HydrophobicContact CD2-CG 3.98Å; F10-F50 HydrophobicContact CE1-CB 4.4Å; F10-F50 HydrophobicContact CG-CB 3.99Å; F10-F50 AromaticContact CG-CD1 3.87Å; F10-F50 HydrophobicContact CG-CD1 3.87Å; F10-F50 HydrophobicContact CG-CD2 4.28Å; F10-F50 HydrophobicContact CG-CE1 4.38Å; F10-F50 AromaticContact CG-CG 3.79Å; F10-F50 HydrophobicContact CG-CG 3.79Å; I11-F50 HydrophobicContact CD1-CE1 4.34Å; I11-F50 HydrophobicContact CD1-CZ 3.96Å; I11-F50 HydrophobicContact CG1-CE1 4.08Å; I11-F50 HydrophobicContact CG1-CZ 4.11Å; I19-F50 HydrophobicContact CG2-CE1 4.31Å; A22-F50 WeakPolarHBondContact CA-O 3.44Å; A22-F50 WeakPolarHBondContact CB-O 3.31Å; A22-F50 PolarHBondContact N-O 3.21Å; W36-F50 HydrophobicContact CH2-CD1 4.49Å; W36-F50 AromaticContact CH2-CE1 3.41Å; W36-F50 HydrophobicContact CH2-CE1 3.41Å; W36-F50 VanDerWaalsContact CH2-CE1 3.41Å; W36-F50 AromaticContact CH2-CZ 3.62Å; W36-F50 HydrophobicContact CH2-CZ 3.62Å; W36-F50 HydrophobicContact CZ3-CD1 4.31Å; W36-F50 AromaticContact CZ3-CE1 3.6Å; W36-F50 HydrophobicContact CZ3-CE1 3.6Å; W36-F50 HydrophobicContact CZ3-CZ 4.18Å; S48-F50 PolarHBondContact O-N 2.8Å; S48-F50 PolarHBondContact OG-N 2.83Å; F50-E52 PolarHBondContact O-N 2.81Å |
| 51 | C | 87.2 | Confident | 74.4 | Confident | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 43% | 0.434 | C | S | . | . | S | Bend | trans | 59.6 | 22.2 | -174.8 | -42.7 | 0 | 0 | 0 | 0 | 114.5 | N23 C40 G47 S48 | N23-C51 PolarHBondContact ND2-O 3.31Å; C40-C51 WeakPolarHBondContact CA-SG 3.16Å; C40-C51 HydrophobicContact CB-CB 3.81Å; C40-C51 WeakPolarHBondContact CB-SG 3.44Å; C40-C51 WeakPolarHBondContact SG-CA 3.36Å; C40-C51 WeakPolarHBondContact SG-CB 3.24Å; C40-C51 CovalentContact SG-SG 2.02Å; C40-C51 PolarHBondContact SG-SG 2.83Å; G47-C51 CarbonylContact O-C 3.58Å; G47-C51 WeakPolarHBondContact O-CA 3.38Å; S48-C51 PolarHBondContact O-N 3.33Å; S48-C51 PolarHBondContact OG-N 3.42Å |
| 52 | E | 84.6 | Confident | 74.7 | Confident | 79 Ų | 79 | 85.4 Ų | 85.4 | 37% | 0.369 | 44% | 0.436 | S | S | . | . | trans | -78.5 | -29.9 | -176.4 | 77.2 | -165.1 | 179.8 | 0 | 0 | 112.6 | F10 A22 S48 F50 | F10-E52 WeakPolarHBondContact CE2-OE2 3.18Å; F10-E52 HydrophobicContact CZ-CB 3.95Å; F10-E52 WeakPolarHBondContact CZ-OE2 3.26Å; A22-E52 HydrophobicContact CB-CB 4.32Å; S48-E52 PolarHBondContact OG-N 3.01Å; F50-E52 PolarHBondContact O-N 2.81Å | ||
| 53 | K | 79.1 | Confident | 75.6 | Confident | 132 Ų | 132 | 82.2 Ų | 82.2 | 57% | 0.574 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127.9 | -172.9 | -63.4 | -172.7 | -178.1 | 175.3 | 0 | 109.9 | F46 G47 I55 | F46-K53 CarbonylContact C-O 3.5Å; F46-K53 VanDerWaalsContact CA-O 3.28Å; F46-K53 WeakPolarHBondContact CA-O 3.41Å; G47-K53 PolarHBondContact N-O 2.87Å; G47-K53 PolarHBondContact O-N 3.36Å; G47-K53 VanDerWaalsContact O-N 3.15Å; G47-K53 VanDerWaalsContact O-O 3.14Å; K53-I55 PolarHBondContact O-N 3.38Å |
| 54 | L | 74.3 | Confident | 76.7 | Confident | 105 Ų | 105 | 83.8 Ų | 83.8 | 55% | 0.55 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 116.1 | 163.7 | -76.5 | 87 | 0 | 0 | 0 | 108.4 | F45 F46 V56 | F45-L54 CarbonylContact O-C 3.51Å; F45-L54 VanDerWaalsContact O-CA 3.23Å; F45-L54 WeakPolarHBondContact O-CA 3.23Å; F46-L54 HydrophobicContact CD1-CD1 3.85Å; F46-L54 HydrophobicContact CD1-CG 3.77Å; F46-L54 HydrophobicContact CE1-CD1 3.32Å; F46-L54 HydrophobicContact CE1-CD2 4.26Å; F46-L54 HydrophobicContact CE1-CG 3.46Å; F46-L54 VanDerWaalsContact CE1-CG 3.46Å; F46-L54 HydrophobicContact CZ-CD1 4.1Å; F46-L54 HydrophobicContact CZ-CD2 4.31Å; F46-L54 HydrophobicContact CZ-CG 3.98Å; L54-V56 PolarHBondContact O-N 2.91Å |
| 55 | I | 69.1 | Low | 77.9 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 57% | 0.574 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -63.1 | -27 | 171.4 | -65 | 167.1 | 0 | 0 | 0 | 109.7 | F45 F46 K53 S57 | F45-I55 PolarHBondContact O-N 2.03Å; F46-I55 VanDerWaalsContact C-CD1 3.43Å; F46-I55 VanDerWaalsContact O-CD1 3.25Å; F46-I55 WeakPolarHBondContact O-CD1 3.28Å; K53-I55 PolarHBondContact O-N 3.38Å; I55-S57 PolarHBondContact O-N 3.16Å |
| 56 | V | 61 | Low | 79.1 | Confident | 47 Ų | 47 | 74.3 Ų | 74.3 | 29% | 0.285 | 42% | 0.419 | S | S | . | . | trans | -71.5 | 99.1 | 174.2 | -163 | 0 | 0 | 0 | 0 | 108.1 | F45 L54 S58 | F45-V56 HydrophobicContact CB-CG2 3.78Å; F45-V56 HydrophobicContact CD1-CG2 3.32Å; F45-V56 HydrophobicContact CE1-CG2 4.27Å; F45-V56 HydrophobicContact CG-CG2 3.97Å; L54-V56 PolarHBondContact O-N 2.91Å; V56-S58 PolarHBondContact O-N 3.08Å | ||
| 57 | S | 63.8 | Low | 80 | Confident | 67 Ų | 67 | 76.4 Ų | 76.4 | 47% | 0.469 | 43% | 0.432 | S | S | . | . | trans | -59.5 | 70.9 | 155.7 | 66 | 0 | 0 | 0 | 0 | 108.5 | I55 L59 W60 S61 | I55-S57 PolarHBondContact O-N 3.16Å; S57-L59 PolarHBondContact O-N 3.26Å; S57-L59 VanDerWaalsContact O-N 3.07Å; S57-W60 PolarHBondContact O-N 2.97Å; S57-S61 PolarHBondContact O-N 2.96Å | ||
| 58 | S | 62.4 | Low | 81 | Confident | 60 Ų | 60 | 81.3 Ų | 81.3 | 42% | 0.42 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.9 | -29.8 | -166.3 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | V56 I62 | V56-S58 PolarHBondContact O-N 3.08Å; S58-I62 WeakPolarHBondContact O-CD1 3.01Å; S58-I62 WeakPolarHBondContact O-CG1 3.43Å; S58-I62 PolarHBondContact O-N 3.15Å; S58-I62 VanDerWaalsContact O-N 3.12Å |
| 59 | L | 65.6 | Low | 81.7 | Confident | 129 Ų | 129 | 84.1 Ų | 84.1 | 68% | 0.675 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 172.7 | -86.3 | 85.5 | 0 | 0 | 0 | 112.8 | S57 I62 V63 | S57-L59 PolarHBondContact O-N 3.26Å; S57-L59 VanDerWaalsContact O-N 3.07Å; L59-I62 PolarHBondContact O-N 3.01Å; L59-V63 WeakPolarHBondContact O-CB 3.02Å; L59-V63 WeakPolarHBondContact O-CG2 3.25Å; L59-V63 PolarHBondContact O-N 2.78Å |
| 60 | W | 79.6 | Confident | 82.3 | Confident | 195 Ų | 195 | 85 Ų | 85 | 74% | 0.739 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -70.4 | -35.5 | -178.8 | -68.8 | 84.5 | 0 | 0 | 0 | 111.9 | S57 V63 A64 | S57-W60 PolarHBondContact O-N 2.97Å; W60-V63 PolarHBondContact O-N 2.86Å; W60-A64 WeakPolarHBondContact O-CB 3.43Å; W60-A64 PolarHBondContact O-N 3.26Å |
| 61 | S | 81.3 | Confident | 82.8 | Confident | 69 Ų | 69 | 89 Ų | 89 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 175.3 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | S57 G65 | S57-S61 PolarHBondContact O-N 2.96Å; S61-G65 PolarHBondContact O-N 3.25Å |
| 62 | I | 84.9 | Confident | 83.2 | Confident | 110 Ų | 110 | 92 Ų | 92 | 56% | 0.564 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -47.9 | 174.7 | -67 | 164.7 | 0 | 0 | 0 | 110.2 | S58 L59 A64 G65 C66 | S58-I62 WeakPolarHBondContact O-CD1 3.01Å; S58-I62 WeakPolarHBondContact O-CG1 3.43Å; S58-I62 PolarHBondContact O-N 3.15Å; S58-I62 VanDerWaalsContact O-N 3.12Å; L59-I62 PolarHBondContact O-N 3.01Å; I62-A64 PolarHBondContact O-N 3.19Å; I62-G65 PolarHBondContact O-N 3.21Å; I62-C66 PolarHBondContact O-N 3.44Å; I62-C66 PolarHBondContact O-SG 3.21Å; I62-C66 VanDerWaalsContact O-SG 3.34Å |
| 63 | V | 88.8 | Confident | 83.7 | Confident | 77 Ų | 77 | 91.6 Ų | 91.6 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 178.3 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | L59 W60 G65 C66 I67 | L59-V63 WeakPolarHBondContact O-CB 3.02Å; L59-V63 WeakPolarHBondContact O-CG2 3.25Å; L59-V63 PolarHBondContact O-N 2.78Å; W60-V63 PolarHBondContact O-N 2.86Å; V63-G65 VanDerWaalsContact C-N 3.34Å; V63-G65 PolarHBondContact O-N 2.03Å; V63-C66 PolarHBondContact O-N 2.87Å; V63-I67 HydrophobicContact CG1-CD1 3.75Å; V63-I67 HydrophobicContact CG1-CG1 4.42Å; V63-I67 VanDerWaalsContact O-CG1 3.26Å; V63-I67 WeakPolarHBondContact O-CG1 3.22Å; V63-I67 PolarHBondContact O-N 3.37Å |
| 64 | A | 90 | Very high | 84.5 | Confident | 57 Ų | 57 | 90 Ų | 90 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W60 I62 I67 L68 | W60-A64 WeakPolarHBondContact O-CB 3.43Å; W60-A64 PolarHBondContact O-N 3.26Å; I62-A64 PolarHBondContact O-N 3.19Å; A64-I67 PolarHBondContact O-N 3.22Å; A64-L68 WeakPolarHBondContact O-CB 3.48Å; A64-L68 PolarHBondContact O-N 2.92Å |
| 65 | G | 92.6 | Very high | 85.4 | Confident | 39 Ų | 39 | 88.3 Ų | 88.3 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S61 I62 V63 L68 L69 | S61-G65 PolarHBondContact O-N 3.25Å; I62-G65 PolarHBondContact O-N 3.21Å; V63-G65 VanDerWaalsContact C-N 3.34Å; V63-G65 PolarHBondContact O-N 2.03Å; G65-L68 PolarHBondContact O-N 2.83Å; G65-L69 WeakPolarHBondContact O-CB 3.25Å; G65-L69 PolarHBondContact O-N 2.87Å |
| 66 | C | 94.3 | Very high | 86.5 | Confident | 74 Ų | 74 | 89 Ų | 89 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 175.8 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | I62 V63 L69 L70 | I62-C66 PolarHBondContact O-N 3.44Å; I62-C66 PolarHBondContact O-SG 3.21Å; I62-C66 VanDerWaalsContact O-SG 3.34Å; V63-C66 PolarHBondContact O-N 2.87Å; C66-L69 PolarHBondContact O-N 3.29Å; C66-L70 WeakPolarHBondContact O-CG 3.26Å; C66-L70 PolarHBondContact O-N 3.14Å |
| 67 | I | 95.8 | Very high | 88 | Confident | 91 Ų | 91 | 90.5 Ų | 90.5 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 176.7 | -69.6 | 167.4 | 0 | 0 | 0 | 110.4 | V63 A64 L69 L70 I71 | V63-I67 HydrophobicContact CG1-CD1 3.75Å; V63-I67 HydrophobicContact CG1-CG1 4.42Å; V63-I67 VanDerWaalsContact O-CG1 3.26Å; V63-I67 WeakPolarHBondContact O-CG1 3.22Å; V63-I67 PolarHBondContact O-N 3.37Å; A64-I67 PolarHBondContact O-N 3.22Å; I67-L69 VanDerWaalsContact C-N 3.31Å; I67-L69 PolarHBondContact O-N 2.81Å; I67-L70 PolarHBondContact O-N 3.07Å; I67-I71 HydrophobicContact CG2-CD1 3.81Å; I67-I71 HydrophobicContact CG2-CG1 4.46Å; I67-I71 VanDerWaalsContact O-CG1 3.3Å; I67-I71 WeakPolarHBondContact O-CG1 3.38Å; I67-I71 PolarHBondContact O-N 3.29Å |
| 68 | L | 95.9 | Very high | 89.2 | Confident | 114 Ų | 114 | 89.8 Ų | 89.8 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.9 | -43.8 | 177.1 | -168.3 | 82.5 | 0 | 0 | 0 | 111.3 | A64 G65 I71 C72 | A64-L68 WeakPolarHBondContact O-CB 3.48Å; A64-L68 PolarHBondContact O-N 2.92Å; G65-L68 PolarHBondContact O-N 2.83Å; L68-I71 PolarHBondContact O-N 2.71Å; L68-C72 PolarHBondContact O-N 2.78Å; L68-C72 PolarHBondContact O-SG 3.18Å; L68-C72 VanDerWaalsContact O-SG 3.32Å |
| 69 | L | 95.9 | Very high | 90.3 | Very high | 109 Ų | 109 | 89.3 Ų | 89.3 | 57% | 0.571 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 177.7 | -170.1 | 153.1 | 0 | 0 | 0 | 111.6 | G65 C66 I67 I71 C72 V73 | G65-L69 WeakPolarHBondContact O-CB 3.25Å; G65-L69 PolarHBondContact O-N 2.87Å; C66-L69 PolarHBondContact O-N 3.29Å; I67-L69 VanDerWaalsContact C-N 3.31Å; I67-L69 PolarHBondContact O-N 2.81Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 2.86Å; L69-C72 WeakPolarHBondContact O-CB 3.48Å; L69-C72 PolarHBondContact O-N 3.4Å; L69-V73 HydrophobicContact CD2-CG2 3.96Å; L69-V73 WeakPolarHBondContact O-CG2 3.06Å; L69-V73 PolarHBondContact O-N 2.92Å |
| 70 | L | 96.2 | Very high | 91.2 | Very high | 111 Ų | 111 | 88.5 Ų | 88.5 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.5 | -43.3 | 175.7 | -72 | 175.9 | 0 | 0 | 0 | 111.7 | C66 I67 C72 V73 V74 | C66-L70 WeakPolarHBondContact O-CG 3.26Å; C66-L70 PolarHBondContact O-N 3.14Å; I67-L70 PolarHBondContact O-N 3.07Å; L70-C72 VanDerWaalsContact C-N 3.34Å; L70-C72 PolarHBondContact O-N 3.07Å; L70-V73 PolarHBondContact O-N 2.97Å; L70-V74 WeakPolarHBondContact O-CG2 3.49Å; L70-V74 PolarHBondContact O-N 2.98Å |
| 71 | I | 96.3 | Very high | 91.1 | Very high | 92 Ų | 92 | 87.2 Ų | 87.2 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 175.2 | -67.3 | 166.1 | 0 | 0 | 0 | 110.2 | I67 L68 L69 V73 V74 C75 | I67-I71 HydrophobicContact CG2-CD1 3.81Å; I67-I71 HydrophobicContact CG2-CG1 4.46Å; I67-I71 VanDerWaalsContact O-CG1 3.3Å; I67-I71 WeakPolarHBondContact O-CG1 3.38Å; I67-I71 PolarHBondContact O-N 3.29Å; L68-I71 PolarHBondContact O-N 2.71Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-I71 PolarHBondContact O-N 2.86Å; I71-V73 PolarHBondContact O-N 2.02Å; I71-V74 PolarHBondContact O-N 3.27Å; I71-C75 WeakPolarHBondContact O-CB 3.18Å; I71-C75 PolarHBondContact O-N 3.35Å; I71-C75 PolarHBondContact O-SG 2.75Å |
| 72 | C | 95.8 | Very high | 90.4 | Very high | 63 Ų | 63 | 90 Ų | 90 | 43% | 0.426 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 176.6 | -70.9 | 0 | 0 | 0 | 0 | 112.3 | L68 L69 L70 C75 L76 | L68-C72 PolarHBondContact O-N 2.78Å; L68-C72 PolarHBondContact O-SG 3.18Å; L68-C72 VanDerWaalsContact O-SG 3.32Å; L69-C72 WeakPolarHBondContact O-CB 3.48Å; L69-C72 PolarHBondContact O-N 3.4Å; L70-C72 VanDerWaalsContact C-N 3.34Å; L70-C72 PolarHBondContact O-N 3.07Å; C72-C75 PolarHBondContact O-N 2.79Å; C72-L76 WeakPolarHBondContact O-CB 3.4Å; C72-L76 VanDerWaalsContact O-CG 3.28Å; C72-L76 WeakPolarHBondContact O-CG 3.37Å; C72-L76 PolarHBondContact O-N 2.87Å |
| 73 | V | 95.8 | Very high | 89.6 | Confident | 70 Ų | 70 | 89.9 Ų | 89.9 | 42% | 0.424 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 177.4 | 173 | 0 | 0 | 0 | 0 | 110.7 | L69 L70 I71 C75 L76 C77 | L69-V73 HydrophobicContact CD2-CG2 3.96Å; L69-V73 WeakPolarHBondContact O-CG2 3.06Å; L69-V73 PolarHBondContact O-N 2.92Å; L70-V73 PolarHBondContact O-N 2.97Å; I71-V73 PolarHBondContact O-N 2.02Å; V73-C75 VanDerWaalsContact C-N 3.33Å; V73-C75 PolarHBondContact O-N 3.24Å; V73-L76 PolarHBondContact O-N 3.2Å; V73-C77 WeakPolarHBondContact O-CB 3.48Å; V73-C77 PolarHBondContact O-N 3.45Å; V73-C77 PolarHBondContact O-SG 2.77Å |
| 74 | V | 94.8 | Very high | 88.5 | Confident | 99 Ų | 99 | 94.6 Ų | 94.6 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 176.7 | 173 | 0 | 0 | 0 | 0 | 111.4 | L70 I71 C77 S78 | L70-V74 WeakPolarHBondContact O-CG2 3.49Å; L70-V74 PolarHBondContact O-N 2.98Å; I71-V74 PolarHBondContact O-N 3.27Å; V74-C77 PolarHBondContact O-N 3.12Å; V74-S78 WeakPolarHBondContact O-CB 3.41Å; V74-S78 PolarHBondContact O-N 3Å; V74-S78 PolarHBondContact O-OG 2.91Å |
| 75 | C | 93.8 | Very high | 87.2 | Confident | 70 Ų | 70 | 95.4 Ų | 95.4 | 47% | 0.473 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 176 | -74.5 | 0 | 0 | 0 | 0 | 112.2 | I71 C72 V73 S78 A79 | I71-C75 WeakPolarHBondContact O-CB 3.18Å; I71-C75 PolarHBondContact O-N 3.35Å; I71-C75 PolarHBondContact O-SG 2.75Å; C72-C75 PolarHBondContact O-N 2.79Å; V73-C75 VanDerWaalsContact C-N 3.33Å; V73-C75 PolarHBondContact O-N 3.24Å; C75-S78 WeakPolarHBondContact CA-OG 3.32Å; C75-S78 PolarHBondContact O-N 3.32Å; C75-S78 PolarHBondContact O-OG 3.46Å; C75-A79 VanDerWaalsContact O-CB 3.25Å; C75-A79 WeakPolarHBondContact O-CB 3.3Å; C75-A79 PolarHBondContact O-N 3.34Å |
| 76 | L | 92.6 | Very high | 85.6 | Confident | 126 Ų | 126 | 101.9 Ų | 101.9 | 66% | 0.66 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.4 | -40.8 | 177.4 | -70.1 | 173.4 | 0 | 0 | 0 | 112 | C72 V73 N80 | C72-L76 WeakPolarHBondContact O-CB 3.4Å; C72-L76 VanDerWaalsContact O-CG 3.28Å; C72-L76 WeakPolarHBondContact O-CG 3.37Å; C72-L76 PolarHBondContact O-N 2.87Å; V73-L76 PolarHBondContact O-N 3.2Å; L76-N80 VanDerWaalsContact O-CB 3.25Å; L76-N80 WeakPolarHBondContact O-CB 3.35Å; L76-N80 PolarHBondContact O-N 2.82Å |
| 77 | C | 91.4 | Very high | 83.9 | Confident | 79 Ų | 79 | 100.8 Ų | 100.8 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.5 | -72.1 | 0 | 0 | 0 | 0 | 111.6 | V73 V74 W81 | V73-C77 WeakPolarHBondContact O-CB 3.48Å; V73-C77 PolarHBondContact O-N 3.45Å; V73-C77 PolarHBondContact O-SG 2.77Å; V74-C77 PolarHBondContact O-N 3.12Å; C77-W81 VanDerWaalsContact O-CB 3.3Å; C77-W81 WeakPolarHBondContact O-CB 3.32Å; C77-W81 PolarHBondContact O-N 2.95Å |
| 78 | S | 88.7 | Confident | 82 | Confident | 52 Ų | 52 | 106 Ų | 106 | 36% | 0.364 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.7 | -42.2 | 177.4 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | V74 C75 N80 W81 F82 | V74-S78 WeakPolarHBondContact O-CB 3.41Å; V74-S78 PolarHBondContact O-N 3Å; V74-S78 PolarHBondContact O-OG 2.91Å; C75-S78 WeakPolarHBondContact CA-OG 3.32Å; C75-S78 PolarHBondContact O-N 3.32Å; C75-S78 PolarHBondContact O-OG 3.46Å; S78-N80 VanDerWaalsContact C-N 3.33Å; S78-N80 PolarHBondContact O-N 3.46Å; S78-W81 PolarHBondContact O-N 3.16Å; S78-F82 VanDerWaalsContact O-CD2 3.23Å; S78-F82 WeakPolarHBondContact O-CD2 3.45Å; S78-F82 PolarHBondContact O-N 2.78Å |
| 79 | A | 85.6 | Confident | 80.1 | Confident | 50 Ų | 50 | 110.3 Ų | 110.3 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.1 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C75 N83 | C75-A79 VanDerWaalsContact O-CB 3.25Å; C75-A79 WeakPolarHBondContact O-CB 3.3Å; C75-A79 PolarHBondContact O-N 3.34Å; A79-N83 WeakPolarHBondContact O-CB 3.25Å; A79-N83 PolarHBondContact O-N 2.95Å; A79-N83 PolarHBondContact O-ND2 3.25Å |
| 80 | N | 85.3 | Confident | 78.2 | Confident | 112 Ų | 112 | 116 Ų | 116 | 60% | 0.599 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.6 | -40.6 | 175.7 | -167.5 | 15.3 | 0 | 0 | 0 | 111.8 | L76 S78 N83 R84 | L76-N80 VanDerWaalsContact O-CB 3.25Å; L76-N80 WeakPolarHBondContact O-CB 3.35Å; L76-N80 PolarHBondContact O-N 2.82Å; S78-N80 VanDerWaalsContact C-N 3.33Å; S78-N80 PolarHBondContact O-N 3.46Å; N80-N83 PolarHBondContact O-N 2.9Å; N80-R84 WeakPolarHBondContact O-CB 3.3Å; N80-R84 PolarHBondContact O-N 2.94Å |
| 81 | W | 77.1 | Confident | 76.2 | Confident | 168 Ų | 168 | 121.2 Ų | 121.2 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.9 | -48.1 | 174.2 | -173 | -85.8 | 0 | 0 | 0 | 111.8 | C77 S78 N83 R84 D85 | C77-W81 VanDerWaalsContact O-CB 3.3Å; C77-W81 WeakPolarHBondContact O-CB 3.32Å; C77-W81 PolarHBondContact O-N 2.95Å; S78-W81 PolarHBondContact O-N 3.16Å; W81-N83 PolarHBondContact O-N 2.66Å; W81-R84 PolarHBondContact O-N 2.98Å; W81-D85 PolarHBondContact O-N 2.72Å |
| 82 | F | 66.6 | Low | 74 | Confident | 126 Ų | 126 | 124.4 Ų | 124.4 | 55% | 0.553 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.7 | -37.7 | 177.9 | -87.1 | -71.6 | 0 | 0 | 0 | 112.9 | S78 R86 | S78-F82 VanDerWaalsContact O-CD2 3.23Å; S78-F82 WeakPolarHBondContact O-CD2 3.45Å; S78-F82 PolarHBondContact O-N 2.78Å; F82-R86 WeakPolarHBondContact O-CB 3.36Å; F82-R86 VanDerWaalsContact O-CG 3.3Å; F82-R86 WeakPolarHBondContact O-CG 3.28Å; F82-R86 PolarHBondContact O-N 3.29Å; F82-R86 VanDerWaalsContact O-N 3.12Å |
| 83 | N | 67.9 | Low | 72 | Confident | 108 Ų | 108 | 126.6 Ų | 126.6 | 58% | 0.578 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.2 | -37.6 | 174.9 | -81.6 | -27.3 | 0 | 0 | 0 | 112.3 | A79 N80 W81 G87 | A79-N83 WeakPolarHBondContact O-CB 3.25Å; A79-N83 PolarHBondContact O-N 2.95Å; A79-N83 PolarHBondContact O-ND2 3.25Å; N80-N83 PolarHBondContact O-N 2.9Å; W81-N83 PolarHBondContact O-N 2.66Å; N83-G87 PolarHBondContact O-N 2.99Å |
| 84 | R | 66.6 | Low | 70.2 | Confident | 176 Ų | 176 | 129 Ų | 129 | 66% | 0.664 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.6 | -35.4 | 178.7 | -160.8 | 165 | 104.1 | 152.9 | 1.8 | 112.7 | N80 W81 | N80-R84 WeakPolarHBondContact O-CB 3.3Å; N80-R84 PolarHBondContact O-N 2.94Å; W81-R84 PolarHBondContact O-N 2.98Å |
| 85 | D | 62 | Low | 68.3 | Low | 74 Ų | 74 | 131.6 Ų | 131.6 | 40% | 0.396 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -80.4 | -29.9 | -178.8 | -140.3 | 6.9 | 0 | 0 | 0 | 112.7 | W81 G87 R88 | W81-D85 PolarHBondContact O-N 2.72Å; D85-G87 VanDerWaalsContact C-N 3.29Å; D85-G87 PolarHBondContact O-N 3.32Å; D85-R88 PolarHBondContact O-N 3.39Å |
| 86 | R | 58.8 | Low | 66.1 | Low | 175 Ų | 175 | 140 Ų | 140 | 66% | 0.66 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66 | -29.7 | 171.2 | -75.5 | 178.2 | -179.1 | 176.6 | 1.7 | 113.1 | F82 R88 | F82-R86 WeakPolarHBondContact O-CB 3.36Å; F82-R86 VanDerWaalsContact O-CG 3.3Å; F82-R86 WeakPolarHBondContact O-CG 3.28Å; F82-R86 PolarHBondContact O-N 3.29Å; F82-R86 VanDerWaalsContact O-N 3.12Å; R86-R88 VanDerWaalsContact C-N 3.34Å; R86-R88 PolarHBondContact O-N 2.93Å |
| 87 | G | 59.1 | Low | 63.8 | Low | 51 Ų | 51 | 139.8 Ų | 139.8 | 53% | 0.526 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -68.8 | -26.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N83 D85 | N83-G87 PolarHBondContact O-N 2.99Å; D85-G87 VanDerWaalsContact C-N 3.29Å; D85-G87 PolarHBondContact O-N 3.32Å |
| 88 | R | 56.4 | Low | 61.8 | Low | 201 Ų | 201 | 144.4 Ų | 144.4 | 76% | 0.758 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -86.1 | -24.7 | -179.5 | -72.4 | -170.6 | 179 | -141.7 | 0.3 | 114 | D85 R86 | D85-R88 PolarHBondContact O-N 3.39Å; R86-R88 VanDerWaalsContact C-N 3.34Å; R86-R88 PolarHBondContact O-N 2.93Å |
| 89 | R | 56 | Low | 59.8 | Low | 205 Ų | 205 | 147 Ų | 147 | 77% | 0.774 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -8.1 | 179.1 | -63.3 | -164.3 | -169.2 | -150.2 | 4.9 | 114.7 | ||
| 90 | R | 55.1 | Low | 57.9 | Low | 229 Ų | 229 | 152.1 Ų | 152.1 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 19.1 | 174.7 | -74.3 | -163.4 | -177 | -161.7 | 2.7 | 114.6 | ||
| 91 | R | 54.8 | Low | 56 | Low | 220 Ų | 220 | 149.9 Ų | 149.9 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | -118.9 | 71.6 | 163.1 | -65.8 | -172 | -168.8 | -179 | 3.1 | 108.9 | P93 | R91-P93 WeakPolarHBondContact O-CD 3.43Š| ||
| 92 | H | 50.9 | Low | 54.5 | Low | 159 Ų | 159 | 150.4 Ų | 150.4 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | -81.4 | 104.5 | 143 | -109.7 | -76.8 | 0 | 0 | 0 | 106 | T94 | H92-T94 PolarHBondContact O-N 3.26Š| ||
| 93 | P | 52.6 | Low | 53.7 | Low | 109 Ų | 109 | 147.4 Ų | 147.4 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | trans | -75.3 | 82.7 | 161.1 | 32.9 | -29 | 0 | 0 | 0 | 106 | R91 N95 | R91-P93 WeakPolarHBondContact O-CD 3.43Å; P93-N95 PolarHBondContact O-N 2.95Å | ||
| 94 | T | 58.8 | Low | 52.8 | Low | 119 Ų | 119 | 148.7 Ų | 148.7 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | -79.5 | 60.9 | 157.8 | 37.9 | 0 | 0 | 0 | 0 | 108.6 | H92 | H92-T94 PolarHBondContact O-N 3.26Š| ||
| 95 | N | 54.5 | Low | 51.9 | Low | 154 Ų | 154 | 146.1 Ų | 146.1 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | -91.1 | 89.2 | 142.4 | -87 | -0 | 0 | 0 | 0 | 105.7 | P93 | P93-N95 PolarHBondContact O-N 2.95Š| ||
| 96 | R | 47.3 | Very low | 51.1 | Low | 246 Ų | 246 | 145.8 Ų | 145.8 | 93% | 0.928 | 78% | 0.781 | S | S | * | * | trans | -113 | 123.2 | 147.4 | -85.9 | -166.9 | -174.3 | -175.8 | 3.2 | 107.6 | ||||
| 97 | C | 43.8 | Very low | 50.2 | Low | 122 Ų | 122 | 146.3 Ų | 146.3 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -57.9 | 155 | -174.7 | -59.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 98 | M | 49.1 | Very low | 49.4 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -41.6 | 134 | 147.4 | -69.2 | 160.9 | 65.4 | 0 | 0 | 112.3 | ||||
| 99 | S | 47.7 | Very low | 48.7 | Very low | 107 Ų | 107 | 144.7 Ų | 144.7 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | 160.5 | 107.9 | 119.9 | -80.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 100 | T | 45.6 | Very low | 48 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 96% | 0.963 | 81% | 0.807 | S | S | * | * | trans | -179.2 | 123.5 | 135.5 | -10.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 101 | G | 46.1 | Very low | 47.4 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | cis | 177.2 | 139.9 | -3.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 102 | D | 44.8 | Very low | 46.9 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 96% | 0.957 | 81% | 0.807 | S | S | * | * | trans | 167.3 | 133.5 | 139.4 | -98 | -22.4 | 0 | 0 | 0 | 110.9 | ||||
| 103 | G | 49.8 | Very low | 46.6 | Very low | 62 Ų | 62 | 134.9 Ų | 134.9 | 64% | 0.639 | 81% | 0.808 | S | S | * | * | trans | 107.5 | 93.9 | 158 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 104 | T | 48.8 | Very low | 46.3 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | 75.6 | 114.2 | 134.7 | 38 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 105 | S | 49 | Very low | 45.4 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | 70.3 | 126 | 133.6 | 63.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 106 | G | 43.5 | Very low | 44.7 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | trans | 138.6 | 84.2 | 143.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 107 | H | 41 | Very low | 44.5 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | 57.5 | 121.8 | 132 | -65 | -20.5 | 0 | 0 | 0 | 122.6 | ||||
| 108 | S | 41.3 | Very low | 44.3 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | 103.9 | 117.1 | 129.5 | -62.3 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 109 | A | 41.8 | Very low | 43.8 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | 42.3 | 119.4 | 133.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 110 | G | 41.3 | Very low | 44 | Very low | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | cis | 114.2 | 144.4 | 49.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 111 | M | 42.1 | Very low | 44 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | trans | 101.3 | 98.4 | 156.9 | -141.5 | 147.4 | 99.1 | 0 | 0 | 119.8 | ||||
| 112 | R | 45.4 | Very low | 43.8 | Very low | 216 Ų | 216 | 141.2 Ų | 141.2 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | 50.1 | 125.8 | 124.9 | -64.8 | -178.5 | -174.7 | 172.8 | 2 | 122.3 | |||||
| 113 | D | 44.1 | Very low | 43.7 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | 36.2 | 127.4 | 130 | -66.9 | -41.1 | 0 | 0 | 0 | 120.4 | |||||
| 114 | T | 46 | Very low | 43.4 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | 175.5 | 124.9 | 112.6 | 30.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 115 | G | 40 | Very low | 42.8 | Very low | 71 Ų | 71 | 148.6 Ų | 148.6 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | 73.3 | 115 | 120.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 116 | R | 40.3 | Very low | 42.2 | Very low | 237 Ų | 237 | 146 Ų | 146 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | trans | 80 | 115.7 | 132.5 | -65.4 | -175.6 | -179.5 | -145.8 | -0.1 | 120.8 | ||||
| 117 | R | 43 | Very low | 42.2 | Very low | 245 Ų | 245 | 149 Ų | 149 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | 152.9 | 138.7 | 117.3 | -85.9 | 180 | -97.6 | -167.4 | -5 | 107.8 | |||||
| 118 | A | 38.9 | Very low | 42.4 | Very low | 92 Ų | 92 | 152.1 Ų | 152.1 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | cis | -167.9 | 146.6 | -10.4 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 119 | W | 38.9 | Very low | 42.5 | Very low | 224 Ų | 224 | 152.8 Ų | 152.8 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | -83.1 | 164.2 | 162.7 | -117.6 | 53.9 | 0 | 0 | 0 | 108.4 | A121 | W119-A121 HydrophobicContact CE3-CB 3.86Å; W119-A121 VanDerWaalsContact CE3-N 3.34Å; W119-A121 HydrophobicContact CH2-CB 4.39Å; W119-A121 HydrophobicContact CZ3-CB 3.55Å | ||
| 120 | P | 53.3 | Low | 42.8 | Very low | 125 Ų | 125 | 154.4 Ų | 154.4 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | -145.7 | 155.7 | 62.6 | 35.8 | -14.2 | 0 | 0 | 0 | 118.9 | |||||
| 121 | A | 44.6 | Very low | 43.1 | Very low | 58 Ų | 58 | 156.3 Ų | 156.3 | 48% | 0.479 | 81% | 0.807 | S | S | . | * | trans | -10.9 | 139.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | W119 | W119-A121 HydrophobicContact CE3-CB 3.86Å; W119-A121 VanDerWaalsContact CE3-N 3.34Å; W119-A121 HydrophobicContact CH2-CB 4.39Å; W119-A121 HydrophobicContact CZ3-CB 3.55Å | ||
| 122 | Q | 42.2 | Very low | 43.1 | Very low | 189 Ų | 189 | 159 Ų | 159 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | -170.7 | 103.1 | 117.2 | -107.9 | 175.6 | -18.9 | 0 | 0 | 108.5 | |||||
| 123 | A | 41.9 | Very low | 42.6 | Very low | 88 Ų | 88 | 152.7 Ų | 152.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | 72 | 105.4 | 85.1 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 124 | Q | 43.2 | Very low | 42.4 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | 179.6 | 106.9 | 129.8 | -96 | 169.8 | 12.9 | 0 | 0 | 108.9 | |||||
| 125 | R | 36.4 | Very low | 42.5 | Very low | 255 Ų | 255 | 148.2 Ų | 148.2 | 96% | 0.962 | 81% | 0.805 | S | S | * | * | 78.8 | 108.7 | 86.1 | -151.5 | -176.4 | -136.3 | -137.8 | 5.5 | 111.5 | |||||
| 126 | G | 37.7 | Very low | 42.9 | Very low | 66 Ų | 66 | 150.7 Ų | 150.7 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | trans | 166.4 | 72.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 127 | T | 42.7 | Very low | 43.1 | Very low | 133 Ų | 133 | 144 Ų | 144 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | trans | 35.8 | 105.4 | 140.5 | 23.6 | 0 | 0 | 0 | 0 | 119.5 | V129 | T127-V129 PolarHBondContact O-N 3.4Š| ||
| 128 | R | 45.8 | Very low | 43 | Very low | 249 Ų | 249 | 137.2 Ų | 137.2 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | trans | -60.5 | 120.1 | 151.9 | -73.4 | 179 | 173.6 | -179.1 | -2.1 | 109.6 | ||||
| 129 | V | 44 | Very low | 43.2 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -137.7 | 120.8 | 153.1 | -175.7 | 0 | 0 | 0 | 0 | 107.6 | T127 | T127-V129 PolarHBondContact O-N 3.4Š| ||
| 130 | N | 46.8 | Very low | 43.2 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -90.9 | 139.5 | 170.8 | -154.1 | 17.7 | 0 | 0 | 0 | 107.4 | ||||
| 131 | P | 49 | Very low | 42.6 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | -135.3 | 122.8 | 119.5 | 32.8 | -19.8 | 0 | 0 | 0 | 108.6 | |||||
| 132 | R | 40.3 | Very low | 42.4 | Very low | 230 Ų | 230 | 144.2 Ų | 144.2 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | 44.4 | 97.9 | 67.8 | -144.3 | 179 | -165.9 | -178.7 | 3.4 | 114.4 | |||||
| 133 | G | 35.3 | Very low | 42.3 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | 112.7 | 113.2 | 139.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 134 | G | 41.2 | Very low | 42.4 | Very low | 74 Ų | 74 | 140.7 Ų | 140.7 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 159 | 119.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 135 | P | 46.7 | Very low | 42.7 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -93.3 | 159.2 | -162.8 | 37.3 | -34 | 0 | 0 | 0 | 114.2 | ||||
| 136 | S | 48.7 | Very low | 43.2 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -70.3 | 119.2 | 160 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 137 | S | 44.3 | Very low | 43.9 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | -170.4 | 132.3 | 152.1 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 138 | S | 42.1 | Very low | 44.2 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 53.9 | 119.5 | 151.3 | 61.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 139 | T | 42.6 | Very low | 44.4 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | -178.9 | 126 | 56.6 | -44.5 | 0 | 0 | 0 | 0 | 103.8 | |||||
| 140 | H | 38.5 | Very low | 44.5 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | -171.7 | 97.7 | 102.3 | -97.3 | -82.6 | 0 | 0 | 0 | 107.4 | |||||
| 141 | R | 41 | Very low | 44.4 | Very low | 234 Ų | 234 | 134.1 Ų | 134.1 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -101.3 | 127 | 169.4 | -166.1 | 178.3 | -177.1 | -176.6 | 0.5 | 106.1 | ||||
| 142 | S | 40.8 | Very low | 44.6 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 75.9 | 108.9 | 165.6 | -47.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 143 | S | 39.3 | Very low | 45.1 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | 169.2 | 124.3 | 116.6 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 144 | S | 43.8 | Very low | 45.8 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | trans | 146 | 81.4 | 135.2 | 76.9 | 0 | 0 | 0 | 0 | 111.6 | D146 | S144-D146 PolarHBondContact O-N 3.41Š| ||
| 145 | S | 49.2 | Very low | 46.2 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -78.9 | 43.5 | 155.8 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 146 | D | 48.3 | Very low | 46 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -128.4 | 33.7 | -169.1 | -78.6 | -57.6 | 0 | 0 | 0 | 113.5 | S144 | S144-D146 PolarHBondContact O-N 3.41Š| ||
| 147 | E | 51.3 | Low | 45.7 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -121.1 | 44.7 | 170.4 | -85 | -167.6 | 137.8 | 0 | 0 | 112.7 | ||||
| 148 | L | 48.8 | Very low | 45.7 | Very low | 171 Ų | 171 | 154.5 Ų | 154.5 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -104.8 | 7 | 163.9 | -81.1 | 177.2 | 0 | 0 | 0 | 114.3 | ||
| 149 | I | 51.2 | Low | 45.9 | Very low | 154 Ų | 154 | 156.3 Ų | 156.3 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -148.9 | 70.8 | -175.1 | -41.2 | 174.6 | 0 | 0 | 0 | 112.1 | ||
| 150 | S | 44.6 | Very low | 45.9 | Very low | 126 Ų | 126 | 155.3 Ų | 155.3 | 88% | 0.881 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -156.1 | 18.8 | 163.6 | -92.2 | 0 | 0 | 0 | 0 | 117.2 | ||
| 151 | S | 45.9 | Very low | 46.1 | Very low | 131 Ų | 131 | 151 Ų | 151 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -101.1 | 8.7 | 168.3 | -158.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 152 | E | 52.8 | Low | 46.3 | Very low | 178 Ų | 178 | 148.9 Ų | 148.9 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -123.5 | 65.2 | -176 | -164.8 | -177.1 | 176.4 | 0 | 0 | 111.9 | ||
| 153 | R | 50.1 | Low | 46.5 | Very low | 257 Ų | 257 | 149.1 Ų | 149.1 | 97% | 0.97 | 83% | 0.827 | S | S | * | * | trans | -177.4 | 95.2 | 153.6 | -103.8 | 158 | -171.7 | 145 | 4.1 | 110.6 | ||||
| 154 | G | 51.4 | Low | 47 | Very low | 83 Ų | 83 | 149.5 Ų | 149.5 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -163.6 | 3.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 155 | A | 49.1 | Very low | 47 | Very low | 82 Ų | 82 | 148.7 Ų | 148.7 | 68% | 0.678 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -166.4 | 139.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 156 | H | 41.4 | Very low | 46.8 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | 83.3 | 58.9 | 176.2 | -53.8 | -62.6 | 0 | 0 | 0 | 117.1 | R158 | H156-R158 PolarHBondContact O-N 3.21Š| ||
| 157 | R | 43.4 | Very low | 46.9 | Very low | 250 Ų | 250 | 150.8 Ų | 150.8 | 94% | 0.943 | 84% | 0.836 | S | S | * | * | trans | -59 | 108.3 | 133.7 | -95.1 | -174.6 | 170.2 | -175.6 | -1.8 | 108.2 | ||||
| 158 | R | 44.8 | Very low | 46.6 | Very low | 234 Ų | 234 | 148.2 Ų | 148.2 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | -152.7 | 105 | 130.5 | -71 | -155.7 | 176.5 | 172.8 | -2.4 | 109.6 | H156 | H156-R158 PolarHBondContact O-N 3.21Š| ||
| 159 | T | 46.3 | Very low | 46.6 | Very low | 143 Ų | 143 | 147 Ų | 147 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | 54 | 90.9 | 152.2 | 47.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 160 | A | 42.3 | Very low | 46.5 | Very low | 90 Ų | 90 | 148.8 Ų | 148.8 | 74% | 0.744 | 83% | 0.828 | S | S | * | * | trans | -109.8 | 98.7 | 147.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | F162 | A160-F162 HydrophobicContact CB-CD2 4.47Å; A160-F162 HydrophobicContact CB-CE2 4.3Å | ||
| 161 | A | 41.8 | Very low | 46.8 | Very low | 97 Ų | 97 | 151.2 Ų | 151.2 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -103 | 97.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 162 | F | 46.2 | Very low | 47.2 | Very low | 191 Ų | 191 | 150.5 Ų | 150.5 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 142.3 | 163.3 | -72.6 | -81.2 | 0 | 0 | 0 | 108.2 | A160 | A160-F162 HydrophobicContact CB-CD2 4.47Å; A160-F162 HydrophobicContact CB-CE2 4.3Å |
| 163 | P | 45.1 | Very low | 47.3 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 124.2 | 131.2 | 22.5 | -8.6 | 0 | 0 | 0 | 108.4 | ||
| 164 | S | 48.7 | Very low | 47.2 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 132.8 | 154.6 | 41.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 165 | G | 45.2 | Very low | 47.2 | Very low | 74 Ų | 74 | 146.5 Ų | 146.5 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 113.1 | 116.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 166 | N | 44.2 | Very low | 47.4 | Very low | 151 Ų | 151 | 149.9 Ų | 149.9 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 63.7 | 115.2 | 160.8 | -88.2 | -0.4 | 0 | 0 | 0 | 120.5 | ||
| 167 | I | 51.5 | Low | 48 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 56.1 | 89 | 142 | -49.5 | 164.4 | 0 | 0 | 0 | 114.5 | ||||
| 168 | T | 44.9 | Very low | 48.7 | Very low | 132 Ų | 132 | 140 Ų | 140 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | -177.3 | 112.6 | 129.7 | 34.8 | 0 | 0 | 0 | 0 | 107.6 | Q170 | T168-Q170 PolarHBondContact O-N 3.46Å; T168-Q170 VanDerWaalsContact O-N 3.09Å | |||
| 169 | Q | 47.3 | Very low | 49.3 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | trans | -63.5 | 111.3 | 171.7 | -71.2 | 176.5 | -29.1 | 0 | 0 | 107.7 | Y171 | Q169-Y171 VanDerWaalsContact C-N 3.26Å; Q169-Y171 HydrophobicContact CB-CD2 4.05Å; Q169-Y171 HydrophobicContact CB-CE2 3.63Å; Q169-Y171 VanDerWaalsContact O-CD2 3.26Å; Q169-Y171 WeakPolarHBondContact O-CD2 3.44Å; Q169-Y171 PolarHBondContact O-N 2.92Å; Q169-Y171 VanDerWaalsContact OE1-CZ 3.25Å; Q169-Y171 PolarHBondContact OE1-OH 3.32Å | ||
| 170 | Q | 49.7 | Very low | 50 | Low | 191 Ų | 191 | 133.7 Ų | 133.7 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | -67.2 | 92.3 | 164 | -98.9 | -179.4 | -30.3 | 0 | 0 | 107.6 | T168 V172 | T168-Q170 PolarHBondContact O-N 3.46Å; T168-Q170 VanDerWaalsContact O-N 3.09Å; Q170-V172 PolarHBondContact O-N 2.94Å | ||
| 171 | Y | 51.6 | Low | 50.7 | Low | 177 Ų | 177 | 137.1 Ų | 137.1 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | trans | -67.6 | 99.8 | 164.1 | -68.2 | -88.6 | 0 | 0 | 0 | 107.2 | Q169 V173 | Q169-Y171 VanDerWaalsContact C-N 3.26Å; Q169-Y171 HydrophobicContact CB-CD2 4.05Å; Q169-Y171 HydrophobicContact CB-CE2 3.63Å; Q169-Y171 VanDerWaalsContact O-CD2 3.26Å; Q169-Y171 WeakPolarHBondContact O-CD2 3.44Å; Q169-Y171 PolarHBondContact O-N 2.92Å; Q169-Y171 VanDerWaalsContact OE1-CZ 3.25Å; Q169-Y171 PolarHBondContact OE1-OH 3.32Å; Y171-V173 PolarHBondContact O-N 3.44Å | ||
| 172 | V | 52.7 | Low | 51.3 | Low | 116 Ų | 116 | 136.8 Ų | 136.8 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | trans | -65.3 | 96.3 | 160.2 | 179.1 | 0 | 0 | 0 | 0 | 105.6 | Q170 R174 | Q170-V172 PolarHBondContact O-N 2.94Å; V172-R174 VanDerWaalsContact C-N 3.27Å; V172-R174 HydrophobicContact CG1-CG 4.2Å; V172-R174 PolarHBondContact O-N 3.28Å | ||
| 173 | V | 55.3 | Low | 51.9 | Low | 113 Ų | 113 | 132.2 Ų | 132.2 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | -67.2 | 92.6 | 172.6 | -178.8 | 0 | 0 | 0 | 0 | 106.8 | Y171 | Y171-V173 PolarHBondContact O-N 3.44Š| ||
| 174 | R | 48.3 | Very low | 52.5 | Low | 171 Ų | 171 | 130.8 Ų | 130.8 | 65% | 0.645 | 72% | 0.724 | S | S | * | * | trans | -72.3 | 126 | 163.1 | -70.4 | -176.3 | 153.5 | 173 | -7.2 | 105.8 | V172 D176 T177 | V172-R174 VanDerWaalsContact C-N 3.27Å; V172-R174 HydrophobicContact CG1-CG 4.2Å; V172-R174 PolarHBondContact O-N 3.28Å; R174-D176 PolarHBondContact O-N 3.27Å; R174-T177 HydrophobicContact CB-CG2 4.38Å; R174-T177 PolarHBondContact O-N 3.48Å; R174-T177 PolarHBondContact O-OG1 2.86Å | ||
| 175 | L | 52.7 | Low | 52.8 | Low | 149 Ų | 149 | 132.3 Ų | 132.3 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -60.4 | -10 | 174.2 | -87.2 | 80.1 | 0 | 0 | 0 | 112.4 | T177 | L175-T177 VanDerWaalsContact C-N 3.28Š|
| 176 | D | 52 | Low | 53.2 | Low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -80.7 | -3.6 | 172.3 | -51.5 | -40.6 | 0 | 0 | 0 | 113.7 | R174 | R174-D176 PolarHBondContact O-N 3.27Š|
| 177 | T | 53.9 | Low | 53.4 | Low | 92 Ų | 92 | 129.8 Ų | 129.8 | 56% | 0.564 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -115 | 45.5 | 175.5 | 62 | 0 | 0 | 0 | 0 | 111.2 | R174 L175 P179 | R174-T177 HydrophobicContact CB-CG2 4.38Å; R174-T177 PolarHBondContact O-N 3.48Å; R174-T177 PolarHBondContact O-OG1 2.86Å; L175-T177 VanDerWaalsContact C-N 3.28Å; T177-P179 WeakPolarHBondContact O-CD 3.25Å |
| 178 | I | 58 | Low | 53.5 | Low | 138 Ų | 138 | 127.3 Ų | 127.3 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | trans | -69.2 | 110 | 154.9 | -59.1 | 172.6 | 0 | 0 | 0 | 104.5 | T180 | I178-T180 PolarHBondContact O-N 3.32Š| ||
| 179 | P | 57.3 | Low | 53.8 | Low | 112 Ų | 112 | 127.2 Ų | 127.2 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | -58.3 | 114.9 | 174.7 | 24.7 | -31.4 | 0 | 0 | 0 | 106.5 | T177 F181 | T177-P179 WeakPolarHBondContact O-CD 3.25Å; P179-F181 PolarHBondContact O-N 3.3Å | ||
| 180 | T | 61.6 | Low | 54.1 | Low | 132 Ų | 132 | 128.2 Ų | 128.2 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | trans | -50.3 | 114.1 | 168.3 | 30.6 | 0 | 0 | 0 | 0 | 106.8 | I178 N182 | I178-T180 PolarHBondContact O-N 3.32Å; T180-N182 PolarHBondContact O-N 2.92Å | ||
| 181 | F | 56.4 | Low | 53.9 | Low | 162 Ų | 162 | 125.2 Ų | 125.2 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -53.2 | 111.5 | -178.8 | -162.3 | -96.2 | 0 | 0 | 0 | 107.7 | P179 P183 I186 | P179-F181 PolarHBondContact O-N 3.3Å; F181-P183 WeakPolarHBondContact O-CD 3.47Å; F181-I186 HydrophobicContact CE1-CD1 3.73Å; F181-I186 HydrophobicContact CE2-CD1 4.15Å; F181-I186 HydrophobicContact CZ-CD1 3.27Å | ||
| 182 | N | 55.2 | Low | 53.5 | Low | 89 Ų | 89 | 122.9 Ų | 122.9 | 48% | 0.476 | 72% | 0.716 | S | S | . | * | trans | -90 | 100.1 | 176.2 | -176.5 | 1.5 | 0 | 0 | 0 | 107.2 | T180 A184 M185 | T180-N182 PolarHBondContact O-N 2.92Å; N182-A184 PolarHBondContact O-N 3.22Å; N182-A184 WeakPolarHBondContact OD1-CB 3.23Å; N182-A184 PolarHBondContact OD1-N 2.9Å; N182-M185 HydrophobicContact CB-CG 4.42Å; N182-M185 HydrophobicContact CB-SD 4.46Å; N182-M185 PolarHBondContact O-N 3.49Å | ||
| 183 | P | 58.4 | Low | 53.5 | Low | 96 Ų | 96 | 120.8 Ų | 120.8 | 62% | 0.623 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -61.7 | -18.3 | -177.8 | 24.9 | -33.9 | 0 | 0 | 0 | 112.6 | F181 M185 I186 | F181-P183 WeakPolarHBondContact O-CD 3.47Å; P183-M185 PolarHBondContact O-N 3.48Å; P183-I186 PolarHBondContact O-N 2.91Å |
| 184 | A | 58.2 | Low | 52.8 | Low | 86 Ų | 86 | 119.2 Ų | 119.2 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -72.9 | -11.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N182 | N182-A184 PolarHBondContact O-N 3.22Å; N182-A184 WeakPolarHBondContact OD1-CB 3.23Å; N182-A184 PolarHBondContact OD1-N 2.9Å |
| 185 | M | 53.8 | Low | 53 | Low | 152 Ų | 152 | 117.6 Ų | 117.6 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -90.5 | -6.2 | 177.1 | -77.6 | -177 | 48.7 | 0 | 0 | 113.8 | N182 P183 | N182-M185 HydrophobicContact CB-CG 4.42Å; N182-M185 HydrophobicContact CB-SD 4.46Å; N182-M185 PolarHBondContact O-N 3.49Å; P183-M185 PolarHBondContact O-N 3.48Å |
| 186 | I | 54.2 | Low | 52.7 | Low | 115 Ų | 115 | 117.7 Ų | 117.7 | 59% | 0.59 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -101.9 | 98.5 | 173.9 | -64.9 | 175.5 | 0 | 0 | 0 | 108 | F181 P183 | F181-I186 HydrophobicContact CE1-CD1 3.73Å; F181-I186 HydrophobicContact CE2-CD1 4.15Å; F181-I186 HydrophobicContact CZ-CD1 3.27Å; P183-I186 PolarHBondContact O-N 2.91Å |
| 187 | G | 48.8 | Very low | 52.6 | Low | 57 Ų | 57 | 119.5 Ų | 119.5 | 59% | 0.588 | 73% | 0.733 | S | S | * | * | trans | 80.4 | 98.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115 | V189 | G187-V189 VanDerWaalsContact C-N 3.3Å; G187-V189 PolarHBondContact O-N 2.85Å | ||
| 188 | G | 53.2 | Low | 52.5 | Low | 93 Ų | 93 | 123.5 Ų | 123.5 | 96% | 0.959 | 75% | 0.745 | S | S | * | * | trans | -60.8 | 86.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 189 | V | 52 | Low | 52.1 | Low | 130 Ų | 130 | 124.3 Ų | 124.3 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | trans | -102.2 | 107.5 | 161.6 | -154.5 | 0 | 0 | 0 | 0 | 106.2 | G187 | G187-V189 VanDerWaalsContact C-N 3.3Å; G187-V189 PolarHBondContact O-N 2.85Å | ||
| 190 | E | 53.2 | Low | 51.9 | Low | 168 Ų | 168 | 127.6 Ų | 127.6 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -58.4 | 129 | 171.9 | -68.2 | -149.7 | 136 | 0 | 0 | 109.5 | T192 | E190-T192 VanDerWaalsContact C-N 3.27Å; E190-T192 PolarHBondContact O-N 2.86Å | ||
| 191 | P | 46 | Very low | 52.2 | Low | 127 Ų | 127 | 123.7 Ų | 123.7 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | -75.1 | 91.4 | 165 | 26.1 | -22.3 | 0 | 0 | 0 | 107.3 | G193 | P191-G193 PolarHBondContact O-N 3.28Å; P191-G193 VanDerWaalsContact O-N 3.08Å | ||
| 192 | T | 43.3 | Very low | 53.1 | Low | 128 Ų | 128 | 121.8 Ų | 121.8 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -47.9 | 117 | 163.2 | -60.7 | 0 | 0 | 0 | 0 | 108.2 | E190 A194 | E190-T192 VanDerWaalsContact C-N 3.27Å; E190-T192 PolarHBondContact O-N 2.86Å; T192-A194 PolarHBondContact O-N 2.88Å | ||
| 193 | G | 51 | Low | 54 | Low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | -56.9 | 123.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P191 | P191-G193 PolarHBondContact O-N 3.28Å; P191-G193 VanDerWaalsContact O-N 3.08Å | ||
| 194 | A | 41.9 | Very low | 54.8 | Low | 79 Ų | 79 | 122.9 Ų | 122.9 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | trans | -157 | 132.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | T192 L196 | T192-A194 PolarHBondContact O-N 2.88Å; A194-L196 PolarHBondContact O-N 2.94Å; A194-L196 VanDerWaalsContact O-N 3.16Å | ||
| 195 | P | 51.2 | Low | 55.8 | Low | 137 Ų | 137 | 122 Ų | 122 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -83.6 | 89.8 | 171.5 | 33.5 | -27 | 0 | 0 | 0 | 107.6 | ||||
| 196 | L | 46.2 | Very low | 56.9 | Low | 152 Ų | 152 | 122.7 Ų | 122.7 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | -128.2 | 112.5 | 162.1 | -97.5 | 161.9 | 0 | 0 | 0 | 108 | A194 Q198 | A194-L196 PolarHBondContact O-N 2.94Å; A194-L196 VanDerWaalsContact O-N 3.16Å; L196-Q198 VanDerWaalsContact C-N 3.28Å; L196-Q198 PolarHBondContact O-N 3.43Å | ||
| 197 | Q | 50.8 | Low | 58 | Low | 192 Ų | 192 | 123.1 Ų | 123.1 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | trans | -44.9 | 87.5 | 168.5 | -159.9 | 164.2 | 41.1 | 0 | 0 | 109.5 | D199 | Q197-D199 VanDerWaalsContact C-N 3.3Å; Q197-D199 PolarHBondContact O-N 3.32Å; Q197-D199 VanDerWaalsContact O-N 3.08Å | ||
| 198 | Q | 52.4 | Low | 59.3 | Low | 175 Ų | 175 | 126.2 Ų | 126.2 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -76.7 | 94.5 | 166.2 | -95 | 177.7 | -14.3 | 0 | 0 | 106.4 | L196 M200 | L196-Q198 VanDerWaalsContact C-N 3.28Å; L196-Q198 PolarHBondContact O-N 3.43Å; Q198-M200 VanDerWaalsContact C-N 3.3Å; Q198-M200 PolarHBondContact O-N 2.88Å | ||
| 199 | D | 49.8 | Very low | 60.3 | Low | 156 Ų | 156 | 124.2 Ų | 124.2 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | trans | -51.1 | 99.6 | 160.2 | -155.7 | 11.3 | 0 | 0 | 0 | 106.7 | Q197 G201 | Q197-D199 VanDerWaalsContact C-N 3.3Å; Q197-D199 PolarHBondContact O-N 3.32Å; Q197-D199 VanDerWaalsContact O-N 3.08Å; D199-G201 PolarHBondContact O-N 3.41Å | ||
| 200 | M | 52.9 | Low | 61.2 | Low | 180 Ų | 180 | 122.7 Ų | 122.7 | 89% | 0.887 | 71% | 0.707 | S | S | * | * | trans | -69.7 | 91.3 | 176.7 | -73.7 | -157.4 | -168.2 | 0 | 0 | 106.6 | Q198 | Q198-M200 VanDerWaalsContact C-N 3.3Å; Q198-M200 PolarHBondContact O-N 2.88Å | ||
| 201 | G | 66.7 | Low | 61.8 | Low | 50 Ų | 50 | 118.6 Ų | 118.6 | 52% | 0.515 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 159.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D199 | D199-G201 PolarHBondContact O-N 3.41Š|
| 202 | P | 76.7 | Confident | 62.6 | Low | 122 Ų | 122 | 117 Ų | 117 | 79% | 0.792 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 145.7 | 177.6 | 23.5 | -32.8 | 0 | 0 | 0 | 110.2 | ||
| 203 | P | 72.3 | Confident | 63.3 | Low | 116 Ų | 116 | 116.5 Ų | 116.5 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 145.2 | -178.4 | 23.1 | -33.4 | 0 | 0 | 0 | 110.6 | ||
| 204 | P | 76.6 | Confident | 63.7 | Low | 92 Ų | 92 | 122 Ų | 122 | 60% | 0.597 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 147.6 | -179.3 | 24.2 | -33.4 | 0 | 0 | 0 | 110.6 | Q208 | P204-Q208 HydrophobicContact CB-CB 4.46Š|
| 205 | S | 78.2 | Confident | 64.6 | Low | 67 Ų | 67 | 122.2 Ų | 122.2 | 47% | 0.469 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 153.6 | 177.1 | 71.9 | 0 | 0 | 0 | 0 | 110.6 | D207 Q208 A209 | S205-D207 PolarHBondContact O-N 3.24Å; S205-Q208 WeakPolarHBondContact O-CB 3.47Å; S205-Q208 PolarHBondContact O-N 3.38Å; S205-A209 PolarHBondContact O-N 2.98Å; S205-A209 VanDerWaalsContact O-N 3.16Å |
| 206 | Y | 76.6 | Confident | 65.2 | Low | 167 Ų | 167 | 124.7 Ų | 124.7 | 66% | 0.655 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -53.4 | -40.8 | -178.3 | 177.5 | -95.2 | 0 | 0 | 0 | 112.9 | Q208 A209 M210 | Y206-Q208 VanDerWaalsContact C-N 3.3Å; Y206-Q208 PolarHBondContact O-N 3.45Å; Y206-A209 PolarHBondContact O-N 3.42Å; Y206-M210 HydrophobicContact CD1-CG 4.46Å; Y206-M210 HydrophobicContact CE1-CE 4.49Å; Y206-M210 HydrophobicContact CE1-CG 4.02Å; Y206-M210 HydrophobicContact CE2-CE 4.01Å; Y206-M210 PolarHBondContact O-N 2.94Å; Y206-M210 VanDerWaalsContact O-N 3.07Å; Y206-M210 VanDerWaalsContact OH-CE 3.28Å; Y206-M210 WeakPolarHBondContact OH-CE 3.3Å |
| 207 | D | 78.3 | Confident | 66.1 | Low | 125 Ų | 125 | 122.2 Ų | 122.2 | 67% | 0.668 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66 | -34.4 | 179.5 | -60.8 | -38 | 0 | 0 | 0 | 112.2 | S205 M210 S211 | S205-D207 PolarHBondContact O-N 3.24Å; D207-M210 PolarHBondContact O-N 2.87Å; D207-S211 PolarHBondContact O-N 3.04Å |
| 208 | Q | 76.8 | Confident | 66.7 | Low | 122 Ų | 122 | 117.5 Ų | 117.5 | 57% | 0.57 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69.2 | -38.4 | 177.3 | -160.6 | 174 | 3.1 | 0 | 0 | 111.1 | P204 S205 Y206 S211 | P204-Q208 HydrophobicContact CB-CB 4.46Å; S205-Q208 WeakPolarHBondContact O-CB 3.47Å; S205-Q208 PolarHBondContact O-N 3.38Å; Y206-Q208 VanDerWaalsContact C-N 3.3Å; Y206-Q208 PolarHBondContact O-N 3.45Å; Q208-S211 PolarHBondContact O-N 3.41Å; Q208-S211 PolarHBondContact O-OG 3.03Å |
| 209 | A | 72.5 | Confident | 67.1 | Low | 50 Ų | 50 | 115.6 Ų | 115.6 | 41% | 0.413 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -68 | -34.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S205 Y206 S211 S212 | S205-A209 PolarHBondContact O-N 2.98Å; S205-A209 VanDerWaalsContact O-N 3.16Å; Y206-A209 PolarHBondContact O-N 3.42Å; A209-S211 VanDerWaalsContact C-N 3.31Å; A209-S211 PolarHBondContact O-N 3.47Å; A209-S212 PolarHBondContact O-OG 3.23Å |
| 210 | M | 71 | Confident | 67 | Low | 99 Ų | 99 | 117.7 Ų | 117.7 | 49% | 0.488 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -71 | -27.2 | 177 | -79.6 | -66.8 | 175.2 | 0 | 0 | 112.8 | Y206 D207 S212 I213 | Y206-M210 HydrophobicContact CD1-CG 4.46Å; Y206-M210 HydrophobicContact CE1-CE 4.49Å; Y206-M210 HydrophobicContact CE1-CG 4.02Å; Y206-M210 HydrophobicContact CE2-CE 4.01Å; Y206-M210 PolarHBondContact O-N 2.94Å; Y206-M210 VanDerWaalsContact O-N 3.07Å; Y206-M210 VanDerWaalsContact OH-CE 3.28Å; Y206-M210 WeakPolarHBondContact OH-CE 3.3Å; D207-M210 PolarHBondContact O-N 2.87Å; M210-S212 PolarHBondContact O-N 3.38Å; M210-I213 HydrophobicContact SD-CD1 3.88Å |
| 211 | S | 67.3 | Low | 67.6 | Low | 82 Ų | 82 | 114.7 Ų | 114.7 | 57% | 0.573 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.1 | -18 | -179.3 | 70.8 | 0 | 0 | 0 | 0 | 114.9 | D207 Q208 A209 | D207-S211 PolarHBondContact O-N 3.04Å; Q208-S211 PolarHBondContact O-N 3.41Å; Q208-S211 PolarHBondContact O-OG 3.03Å; A209-S211 VanDerWaalsContact C-N 3.31Å; A209-S211 PolarHBondContact O-N 3.47Å |
| 212 | S | 62.6 | Low | 67.4 | Low | 94 Ų | 94 | 118.2 Ų | 118.2 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 2.4 | -177.6 | 68 | 0 | 0 | 0 | 0 | 114.7 | A209 M210 H214 | A209-S212 PolarHBondContact O-OG 3.23Å; M210-S212 PolarHBondContact O-N 3.38Å; S212-H214 VanDerWaalsContact C-N 3.28Å; S212-H214 PolarHBondContact O-N 3.39Å |
| 213 | I | 58.3 | Low | 66.2 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 60% | 0.6 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -3.7 | -174.6 | -59.5 | 174 | 0 | 0 | 0 | 112.3 | M210 A215 | M210-I213 HydrophobicContact SD-CD1 3.88Å; I213-A215 PolarHBondContact O-N 3.42Å |
| 214 | H | 57.9 | Low | 65.1 | Low | 188 Ų | 188 | 119.5 Ų | 119.5 | 87% | 0.87 | 67% | 0.668 | S | S | * | * | trans | -83.5 | 62.4 | 170.4 | -72.8 | -67.9 | 0 | 0 | 0 | 111.8 | S212 | S212-H214 VanDerWaalsContact C-N 3.28Å; S212-H214 PolarHBondContact O-N 3.39Å | ||
| 215 | A | 61.7 | Low | 63.9 | Low | 84 Ų | 84 | 120.5 Ų | 120.5 | 69% | 0.694 | 68% | 0.683 | S | S | * | * | trans | -92.3 | 114.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | I213 | I213-A215 PolarHBondContact O-N 3.42Š| ||
| 216 | E | 63.7 | Low | 62.9 | Low | 188 Ų | 188 | 121.5 Ų | 121.5 | 88% | 0.879 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 130.6 | 177.6 | -158.3 | 160 | 161.5 | 0 | 0 | 109.8 | ||
| 217 | P | 65.4 | Low | 61.7 | Low | 100 Ų | 100 | 123.4 Ų | 123.4 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 143.5 | -174.5 | 25.6 | -32.9 | 0 | 0 | 0 | 111.1 | V219 | P217-V219 PolarHBondContact O-N 3.12Š|
| 218 | P | 62.6 | Low | 60.4 | Low | 94 Ų | 94 | 126.1 Ų | 126.1 | 61% | 0.61 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 126.6 | 179.9 | 25 | -32.2 | 0 | 0 | 0 | 111.2 | Y220 | P218-Y220 HydrophobicContact CB-CE2 4.35Å; P218-Y220 HydrophobicContact CG-CE2 4Å; P218-Y220 WeakPolarHBondContact O-CD2 3.17Å; P218-Y220 PolarHBondContact O-N 3Å |
| 219 | V | 61.9 | Low | 58.9 | Low | 134 Ų | 134 | 128.5 Ų | 128.5 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | -82.8 | 112 | 172.7 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | P217 | P217-V219 PolarHBondContact O-N 3.12Š| ||
| 220 | Y | 47.4 | Very low | 57.4 | Low | 201 Ų | 201 | 134.8 Ų | 134.8 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | -84.1 | 116.3 | 175.7 | -66.7 | -85.7 | 0 | 0 | 0 | 110.2 | P218 | P218-Y220 HydrophobicContact CB-CE2 4.35Å; P218-Y220 HydrophobicContact CG-CE2 4Å; P218-Y220 WeakPolarHBondContact O-CD2 3.17Å; P218-Y220 PolarHBondContact O-N 3Å | ||
| 221 | T | 65.9 | Low | 56.7 | Low | 116 Ų | 116 | 136.6 Ų | 136.6 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | trans | -85.4 | 132.1 | 166.4 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | T223 | T221-T223 PolarHBondContact O-N 3.02Š| ||
| 222 | P | 60.8 | Low | 56.2 | Low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -87.3 | 107.9 | 177.9 | 31.8 | -28.7 | 0 | 0 | 0 | 110.3 | ||||
| 223 | T | 52 | Low | 55.8 | Low | 114 Ų | 114 | 141.9 Ų | 141.9 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | trans | -148.7 | 135.5 | 161.8 | 20.7 | 0 | 0 | 0 | 0 | 112.8 | T221 | T221-T223 PolarHBondContact O-N 3.02Š| ||
| 224 | D | 49.8 | Very low | 55.7 | Low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 83% | 0.833 | S | S | * | * | trans | 87.8 | 48.2 | 153.8 | -50.9 | -21 | 0 | 0 | 0 | 119.6 | ||||
| 225 | A | 52.1 | Low | 55.5 | Low | 112 Ų | 112 | 140.6 Ų | 140.6 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -95.3 | 63.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 226 | A | 56.7 | Low | 55.1 | Low | 88 Ų | 88 | 144.4 Ų | 144.4 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | -159.1 | 64.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 227 | K | 51.8 | Low | 54.5 | Low | 207 Ų | 207 | 141.3 Ų | 141.3 | 90% | 0.9 | 84% | 0.837 | S | S | * | * | trans | -166.2 | 61.2 | 161.1 | -114.3 | 173.3 | -168.8 | -177.7 | 0 | 112.9 | ||||
| 228 | Q | 49.5 | Very low | 53.7 | Low | 183 Ų | 183 | 144.5 Ų | 144.5 | 86% | 0.855 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -148.6 | 89.4 | 157.8 | -102.4 | 174.7 | 2.8 | 0 | 0 | 106.2 | ||
| 229 | N | 46.9 | Very low | 52.9 | Low | 172 Ų | 172 | 148.7 Ų | 148.7 | 92% | 0.92 | 87% | 0.871 | S | S | * | * | trans | 163 | 78.1 | 154.4 | -78.1 | -19 | 0 | 0 | 0 | 108.2 | ||||
| 230 | A | 40.4 | Very low | 52.1 | Low | 181 Ų | 181 | 150 Ų | 150 | 100% | 1.496 | 88% | 0.877 | S | S | * | * | trans | -148.6 | 0 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107.5 |
Retrieved 230 of 230 residues in 33 ms
(Link to these results)