| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.8 | Very low | 42.5 | Very low | 252 Ų | 252 | 127.6 Ų | 127.6 | 100% | 1.241 | 78% | 0.783 | S | S | * | * | 0 | 79.1 | 0 | -71.1 | -105 | -113.7 | 0 | 0 | 108.1 | |||||
| 2 | G | 33.3 | Very low | 44.1 | Very low | 75 Ų | 75 | 120.8 Ų | 120.8 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -103.9 | 108.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | N4 | G2-N4 PolarHBondContact O-N 3.47Š| ||
| 3 | A | 36.5 | Very low | 45.6 | Very low | 92 Ų | 92 | 118.9 Ų | 118.9 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | trans | -67.5 | 112.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110 | T5 | A3-T5 PolarHBondContact O-N 3.26Š| ||
| 4 | N | 34.9 | Very low | 46.8 | Very low | 164 Ų | 164 | 121.4 Ų | 121.4 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | trans | -60.6 | 98.9 | 161.3 | -82.3 | -17.9 | 0 | 0 | 0 | 108.6 | G2 S6 | G2-N4 PolarHBondContact O-N 3.47Å; N4-S6 PolarHBondContact O-N 3.33Å | ||
| 5 | T | 37.7 | Very low | 48.1 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -75.7 | 85.3 | 163.6 | 51 | 0 | 0 | 0 | 0 | 108.2 | A3 S7 | A3-T5 PolarHBondContact O-N 3.26Å; T5-S7 VanDerWaalsContact C-N 3.28Å; T5-S7 PolarHBondContact O-N 3.27Å | ||
| 6 | S | 40.1 | Very low | 50.1 | Low | 94 Ų | 94 | 120.9 Ų | 120.9 | 66% | 0.657 | 70% | 0.702 | S | S | * | * | trans | -62.6 | 89.8 | 162.1 | 161.4 | 0 | 0 | 0 | 0 | 108.4 | N4 K8 | N4-S6 PolarHBondContact O-N 3.33Å; S6-K8 PolarHBondContact O-N 3.49Å | ||
| 7 | S | 44.2 | Very low | 52.3 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | trans | -74.6 | 81 | 167.9 | 58.8 | 0 | 0 | 0 | 0 | 108.6 | T5 | T5-S7 VanDerWaalsContact C-N 3.28Å; T5-S7 PolarHBondContact O-N 3.27Å | ||
| 8 | K | 42.5 | Very low | 54.5 | Low | 170 Ų | 170 | 112.6 Ų | 112.6 | 74% | 0.739 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 131.3 | 161.2 | -74.8 | -175.3 | 177.9 | -178.8 | 0 | 106.8 | S6 | S6-K8 PolarHBondContact O-N 3.49Š|
| 9 | P | 52.3 | Low | 56.5 | Low | 93 Ų | 93 | 109.5 Ų | 109.5 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 140.8 | 172.3 | 23.5 | -31.4 | 0 | 0 | 0 | 108.4 | V11 | P9-V11 PolarHBondContact O-N 3Å; P9-V11 VanDerWaalsContact O-N 3.11Å |
| 10 | P | 55.4 | Low | 58.2 | Low | 79 Ų | 79 | 105.5 Ų | 105.5 | 51% | 0.513 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 124 | 175.4 | 8.3 | -12 | 0 | 0 | 0 | 108.5 | F12 | P10-F12 HydrophobicContact CB-CD2 4.26Å; P10-F12 HydrophobicContact CB-CE2 3.72Å; P10-F12 HydrophobicContact CB-CZ 3.89Å; P10-F12 HydrophobicContact CG-CE2 3.63Å; P10-F12 HydrophobicContact CG-CZ 3.9Å; P10-F12 WeakPolarHBondContact O-CD2 3.37Å; P10-F12 PolarHBondContact O-N 3.19Å |
| 11 | V | 55.6 | Low | 59.8 | Low | 145 Ų | 145 | 104 Ų | 104 | 88% | 0.879 | 60% | 0.598 | S | S | * | * | trans | -79 | 98.9 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 105.5 | P9 | P9-V11 PolarHBondContact O-N 3Å; P9-V11 VanDerWaalsContact O-N 3.11Å | ||
| 12 | F | 62.3 | Low | 62.5 | Low | 46 Ų | 46 | 92.3 Ų | 92.3 | 20% | 0.202 | 54% | 0.54 | C | S | . | . | trans | -80.1 | 133.4 | 173 | -66.8 | -78.8 | 0 | 0 | 0 | 108.9 | P10 H22 N43 D44 | P10-F12 HydrophobicContact CB-CD2 4.26Å; P10-F12 HydrophobicContact CB-CE2 3.72Å; P10-F12 HydrophobicContact CB-CZ 3.89Å; P10-F12 HydrophobicContact CG-CE2 3.63Å; P10-F12 HydrophobicContact CG-CZ 3.9Å; P10-F12 WeakPolarHBondContact O-CD2 3.37Å; P10-F12 PolarHBondContact O-N 3.19Å; F12-H22 AromaticContact CD1-CD2 3.21Å; F12-H22 WeakPolarHBondContact CD1-CD2 3.3Å; F12-H22 AromaticContact CD1-CE1 3.96Å; F12-H22 AromaticContact CD1-NE2 3.18Å; F12-H22 WeakPolarHBondContact CD1-NE2 3.11Å; F12-H22 AromaticContact CE1-CD2 3.5Å; F12-H22 AromaticContact CE1-CG 3.88Å; F12-H22 AromaticContact CE1-NE2 3.71Å; F12-H22 AromaticContact CG-CD2 3.67Å; F12-H22 AromaticContact CG-NE2 3.89Å; F12-N43 HydrophobicContact CE2-CB 3.63Å; F12-N43 HydrophobicContact CZ-CB 4.15Å; F12-D44 HydrophobicContact CD2-CB 4.32Å | ||
| 13 | D | 63.4 | Low | 65.4 | Low | 96 Ų | 96 | 89.3 Ų | 89.3 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | trans | -69 | 129.7 | 174.1 | -175.8 | -11.5 | 0 | 0 | 0 | 108.8 | N15 E16 | D13-N15 PolarHBondContact O-N 3.49Å; D13-N15 VanDerWaalsContact O-N 3.1Å; D13-N15 PolarHBondContact OD1-N 2.99Å; D13-N15 PolarHBondContact OD1-ND2 3.47Å; D13-E16 HydrophobicContact CB-CB 4.22Å; D13-E16 WeakPolarHBondContact O-CB 3.41Å; D13-E16 PolarHBondContact O-N 3.36Å | ||
| 14 | E | 62.1 | Low | 68 | Low | 154 Ų | 154 | 89.5 Ų | 89.5 | 72% | 0.72 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.7 | 178.9 | -69.6 | -165.5 | 156.5 | 0 | 0 | 113.3 | ||
| 15 | N | 66.6 | Low | 70.6 | Confident | 138 Ų | 138 | 83 Ų | 83 | 74% | 0.738 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -6.6 | 177.9 | -60.8 | -52.3 | 0 | 0 | 0 | 114 | D13 | D13-N15 PolarHBondContact O-N 3.49Å; D13-N15 VanDerWaalsContact O-N 3.1Å; D13-N15 PolarHBondContact OD1-N 2.99Å; D13-N15 PolarHBondContact OD1-ND2 3.47Å |
| 16 | E | 79.5 | Confident | 73 | Confident | 97 Ų | 97 | 80.5 Ų | 80.5 | 45% | 0.453 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -75.3 | 141.4 | 177.5 | -165.6 | 178.6 | 167.1 | 0 | 0 | 110.8 | D13 V18 | D13-E16 HydrophobicContact CB-CB 4.22Å; D13-E16 WeakPolarHBondContact O-CB 3.41Å; D13-E16 PolarHBondContact O-N 3.36Å; E16-V18 PolarHBondContact O-N 3.3Å |
| 17 | D | 87.5 | Confident | 75.1 | Confident | 80 Ų | 80 | 81.2 Ų | 81.2 | 43% | 0.428 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 128.2 | 174.2 | -74.7 | -32.6 | 0 | 0 | 0 | 110.2 | N19 I361 K366 | D17-N19 PolarHBondContact O-N 3.26Å; D17-I361 HydrophobicContact CB-CD1 4.39Å; D17-K366 IonicContact OD1-NZ 3.47Å |
| 18 | V | 92.3 | Very high | 77 | Confident | 11 Ų | 11 | 76 Ų | 76 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 126.5 | 179 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | E16 H22 F23 Y88 F90 N363 | E16-V18 PolarHBondContact O-N 3.3Å; V18-H22 HydrophobicContact CG1-CB 4.34Å; V18-F23 HydrophobicContact CG1-CE2 3.54Å; V18-F23 HydrophobicContact CG1-CZ 3.93Å; V18-Y88 HydrophobicContact CB-CD1 4.19Å; V18-Y88 HydrophobicContact CG1-CD1 3.93Å; V18-Y88 HydrophobicContact CG1-CE1 4.39Å; V18-Y88 HydrophobicContact CG1-CG 4.22Å; V18-Y88 HydrophobicContact CG2-CD1 4.19Å; V18-Y88 HydrophobicContact CG2-CE1 4.19Å; V18-F90 HydrophobicContact CG1-CD1 4.4Å; V18-F90 HydrophobicContact CG1-CE1 4.29Å; V18-N363 WeakPolarHBondContact CG2-ND2 3.45Å |
| 19 | N | 92.7 | Very high | 79 | Confident | 54 Ų | 54 | 69.5 Ų | 69.5 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | trans | -134.5 | -175.9 | -178.4 | 66.4 | 42.2 | 0 | 0 | 0 | 111.4 | D17 D21 H22 F23 | D17-N19 PolarHBondContact O-N 3.26Å; N19-D21 VanDerWaalsContact C-N 3.3Å; N19-D21 PolarHBondContact O-N 3.48Å; N19-D21 WeakPolarHBondContact OD1-CB 3.36Å; N19-D21 PolarHBondContact OD1-N 3.12Å; N19-H22 VanDerWaalsContact CG-ND1 3.31Å; N19-H22 PolarHBondContact N-ND1 3.27Å; N19-H22 VanDerWaalsContact N-ND1 3.17Å; N19-H22 WeakPolarHBondContact O-CB 3.5Å; N19-H22 PolarHBondContact O-N 3.22Å; N19-H22 PolarHBondContact O-ND1 3.02Å; N19-H22 PolarHBondContact OD1-CE1 2.94Å; N19-H22 PolarHBondContact OD1-ND1 2.95Å; N19-F23 WeakPolarHBondContact O-CD2 3.33Å | ||
| 20 | F | 90.9 | Very high | 80.4 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 13% | 0.127 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -58.5 | -36 | -176.1 | -174.5 | -98.2 | 0 | 0 | 0 | 114 | H22 F23 I25 M51 F90 F97 L323 | F20-H22 PolarHBondContact O-N 3.39Å; F20-H22 VanDerWaalsContact O-N 3.15Å; F20-F23 PolarHBondContact O-N 3.11Å; F20-F23 VanDerWaalsContact O-N 3.16Å; F20-I25 HydrophobicContact CE2-CD1 3.81Å; F20-I25 HydrophobicContact CE2-CG1 4.2Å; F20-I25 HydrophobicContact CZ-CD1 3.96Å; F20-I25 HydrophobicContact CZ-CG1 3.81Å; F20-M51 HydrophobicContact CD2-SD 4.2Å; F20-M51 HydrophobicContact CE2-SD 4.16Å; F20-F90 VanDerWaalsContact CA-CE2 3.49Å; F20-F90 HydrophobicContact CB-CE2 3.87Å; F20-F90 HydrophobicContact CD2-CE2 4.39Å; F20-F90 VanDerWaalsContact N-CE2 3.31Å; F20-F97 HydrophobicContact CD2-CD1 4.08Å; F20-F97 AromaticContact CD2-CE1 3.46Å; F20-F97 HydrophobicContact CD2-CE1 3.46Å; F20-F97 VanDerWaalsContact CD2-CE1 3.46Å; F20-F97 HydrophobicContact CD2-CE2 4.26Å; F20-F97 AromaticContact CD2-CZ 3.55Å; F20-F97 HydrophobicContact CD2-CZ 3.55Å; F20-F97 HydrophobicContact CE2-CD1 4.46Å; F20-F97 AromaticContact CE2-CE1 3.66Å; F20-F97 HydrophobicContact CE2-CE1 3.66Å; F20-F97 HydrophobicContact CE2-CZ 4.01Å; F20-F97 HydrophobicContact CG-CZ 4.27Å; F20-L323 HydrophobicContact CE2-CD2 4.27Å; F20-L323 HydrophobicContact CZ-CD2 4.25Å |
| 21 | D | 90.4 | Very high | 81.7 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -69.4 | -12.3 | -177.4 | -80.4 | -5.9 | 0 | 0 | 0 | 113.2 | N19 F23 N43 K327 | N19-D21 VanDerWaalsContact C-N 3.3Å; N19-D21 PolarHBondContact O-N 3.48Å; N19-D21 WeakPolarHBondContact OD1-CB 3.36Å; N19-D21 PolarHBondContact OD1-N 3.12Å; D21-F23 PolarHBondContact O-N 3.19Å; D21-N43 PolarHBondContact O-ND2 2.81Å; D21-K327 IonicContact OD1-NZ 3.23Å; D21-K327 IonicContact OD2-NZ 2.81Å; D21-K327 PolarHBondContact OD2-NZ 3.12Å |
| 22 | H | 92.4 | Very high | 82.6 | Confident | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.028 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -78 | -5.6 | 175.3 | -65.4 | 76 | 0 | 0 | 0 | 113.2 | F12 V18 N19 F20 N43 | F12-H22 AromaticContact CD1-CD2 3.21Å; F12-H22 WeakPolarHBondContact CD1-CD2 3.3Å; F12-H22 AromaticContact CD1-CE1 3.96Å; F12-H22 AromaticContact CD1-NE2 3.18Å; F12-H22 WeakPolarHBondContact CD1-NE2 3.11Å; F12-H22 AromaticContact CE1-CD2 3.5Å; F12-H22 AromaticContact CE1-CG 3.88Å; F12-H22 AromaticContact CE1-NE2 3.71Å; F12-H22 AromaticContact CG-CD2 3.67Å; F12-H22 AromaticContact CG-NE2 3.89Å; V18-H22 HydrophobicContact CG1-CB 4.34Å; N19-H22 VanDerWaalsContact CG-ND1 3.31Å; N19-H22 PolarHBondContact N-ND1 3.27Å; N19-H22 VanDerWaalsContact N-ND1 3.17Å; N19-H22 WeakPolarHBondContact O-CB 3.5Å; N19-H22 PolarHBondContact O-N 3.22Å; N19-H22 PolarHBondContact O-ND1 3.02Å; N19-H22 PolarHBondContact OD1-CE1 2.94Å; N19-H22 PolarHBondContact OD1-ND1 2.95Å; F20-H22 PolarHBondContact O-N 3.39Å; F20-H22 VanDerWaalsContact O-N 3.15Å; H22-N43 WeakPolarHBondContact O-CB 3.43Å; H22-N43 PolarHBondContact O-N 3.01Å; H22-N43 PolarHBondContact O-ND2 2.7Å |
| 23 | F | 93.3 | Very high | 83.1 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.2 | -175.5 | -62.1 | -89.9 | 0 | 0 | 0 | 112.2 | V18 N19 F20 D21 V40 Q41 K42 Y49 M51 Y88 F90 V99 | V18-F23 HydrophobicContact CG1-CE2 3.54Å; V18-F23 HydrophobicContact CG1-CZ 3.93Å; N19-F23 WeakPolarHBondContact O-CD2 3.33Å; F20-F23 PolarHBondContact O-N 3.11Å; F20-F23 VanDerWaalsContact O-N 3.16Å; D21-F23 PolarHBondContact O-N 3.19Å; F23-V40 HydrophobicContact CB-CB 4.28Å; F23-V40 HydrophobicContact CD1-CB 4.32Å; F23-V40 HydrophobicContact CD1-CG2 3.8Å; F23-V40 HydrophobicContact CE1-CG2 4.43Å; F23-V40 HydrophobicContact CG-CG2 4.46Å; F23-Q41 CarbonylContact C-O 3.57Å; F23-Q41 WeakPolarHBondContact CA-O 3.47Å; F23-K42 HydrophobicContact CD1-CB 4.05Å; F23-K42 HydrophobicContact CD1-CG 4.25Å; F23-K42 HydrophobicContact CE1-CB 3.83Å; F23-K42 HydrophobicContact CE1-CD 4.39Å; F23-K42 HydrophobicContact CE1-CG 3.83Å; F23-K42 HydrophobicContact CZ-CD 4.5Å; F23-K42 HydrophobicContact CZ-CG 4.19Å; F23-Y49 HydrophobicContact CE1-CD2 4.1Å; F23-Y49 HydrophobicContact CE1-CE2 4.48Å; F23-M51 HydrophobicContact CB-CE 3.79Å; F23-M51 HydrophobicContact CD1-CE 4.18Å; F23-M51 HydrophobicContact CD2-CE 3.74Å; F23-M51 HydrophobicContact CE2-CE 4.38Å; F23-M51 HydrophobicContact CG-CE 3.63Å; F23-Y88 HydrophobicContact CE1-CD2 4.39Å; F23-Y88 HydrophobicContact CE1-CE2 4.36Å; F23-Y88 AromaticContact CZ-CD2 3.78Å; F23-Y88 HydrophobicContact CZ-CD2 3.78Å; F23-Y88 AromaticContact CZ-CE2 4Å; F23-Y88 HydrophobicContact CZ-CE2 4Å; F23-Y88 HydrophobicContact CZ-CG 4.28Å; F23-F90 HydrophobicContact CD2-CE1 4.19Å; F23-F90 AromaticContact CD2-CZ 3.9Å; F23-F90 HydrophobicContact CD2-CZ 3.9Å; F23-F90 AromaticContact CE2-CE1 3.58Å; F23-F90 HydrophobicContact CE2-CE1 3.58Å; F23-F90 AromaticContact CE2-CZ 3.79Å; F23-F90 HydrophobicContact CE2-CZ 3.79Å; F23-F90 HydrophobicContact CZ-CE1 4.36Å; F23-V99 HydrophobicContact CE1-CG1 4.02Å; F23-V99 HydrophobicContact CE1-CG2 4.48Å; F23-V99 HydrophobicContact CE2-CG2 4.42Å; F23-V99 HydrophobicContact CZ-CG1 4.25Å; F23-V99 HydrophobicContact CZ-CG2 4.16Å |
| 24 | E | 91.8 | Very high | 83.8 | Confident | 96 Ų | 96 | 60.8 Ų | 60.8 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.3 | 165 | -176.1 | 172.6 | -171.9 | 0 | 0 | 109.2 | L26 V40 Q41 | E24-L26 HydrophobicContact CG-CD2 4.07Å; E24-V40 CarbonylContact O-C 3.58Å; E24-V40 VanDerWaalsContact O-CA 3.23Å; E24-V40 WeakPolarHBondContact O-CA 3.18Å; E24-Q41 HydrophobicContact CB-CB 4.48Å; E24-Q41 PolarHBondContact N-O 2.88Å; E24-Q41 PolarHBondContact O-N 3.05Å |
| 25 | I | 90.6 | Very high | 84.8 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126.4 | 176 | -50.5 | -56.7 | 0 | 0 | 0 | 108.8 | F20 C38 V40 M51 | F20-I25 HydrophobicContact CE2-CD1 3.81Å; F20-I25 HydrophobicContact CE2-CG1 4.2Å; F20-I25 HydrophobicContact CZ-CD1 3.96Å; F20-I25 HydrophobicContact CZ-CG1 3.81Å; I25-C38 HydrophobicContact CG2-CB 4.18Å; I25-V40 HydrophobicContact CD1-CB 4.35Å; I25-V40 HydrophobicContact CD1-CG1 3.39Å; I25-M51 HydrophobicContact CD1-CE 4.39Å; I25-M51 HydrophobicContact CD1-SD 4.09Å |
| 26 | L | 87.5 | Confident | 85.7 | Confident | 76 Ų | 76 | 49.2 Ų | 49.2 | 40% | 0.398 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -69.4 | -176.5 | -61.6 | 174.7 | 0 | 0 | 0 | 111.9 | E24 I39 Q41 M48 | E24-L26 HydrophobicContact CG-CD2 4.07Å; L26-I39 HydrophobicContact CB-CB 4.43Å; L26-I39 HydrophobicContact CB-CG2 4.34Å; L26-I39 WeakPolarHBondContact CB-O 3.22Å; L26-I39 HydrophobicContact CD1-CG2 4.06Å; L26-I39 PolarHBondContact N-O 3.06Å; L26-Q41 HydrophobicContact CD1-CB 4.12Å; L26-M48 HydrophobicContact CD1-CE 3.46Å; L26-M48 VanDerWaalsContact CD1-CE 3.46Å; L26-M48 HydrophobicContact CD1-SD 3.57Å; L26-M48 VanDerWaalsContact CD1-SD 3.57Å |
| 27 | R | 84.1 | Confident | 86.2 | Confident | 110 Ų | 110 | 46.3 Ų | 46.3 | 42% | 0.415 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 135.3 | -167.3 | 178.3 | -175.8 | -78.2 | -153.7 | 7.8 | 112.4 | C38 I39 L305 E312 | R27-C38 CarbonylContact O-C 3.58Å; R27-C38 WeakPolarHBondContact O-CA 3.21Å; R27-C38 VanDerWaalsContact O-CB 3.25Å; R27-C38 WeakPolarHBondContact O-CB 3.49Å; R27-I39 PolarHBondContact O-N 2.86Å; R27-L305 HydrophobicContact CG-CD1 4.48Å; R27-E312 WeakPolarHBondContact CD-OE1 3.18Å; R27-E312 HydrophobicContact CG-CG 3.87Å; R27-E312 IonicContact CZ-OE1 3.14Å; R27-E312 IonicContact CZ-OE2 2.81Å; R27-E312 IonicContact NE-OE1 3.76Å; R27-E312 IonicContact NE-OE2 3.1Å; R27-E312 VanDerWaalsContact NH1-CD 3.29Å; R27-E312 IonicContact NH1-OE1 3.4Å; R27-E312 PolarHBondContact NH1-OE1 3.1Å; R27-E312 IonicContact NH1-OE2 2.75Å; R27-E312 PolarHBondContact NH1-OE2 3.49Å |
| 28 | A | 84.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 131.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C38 E315 | A28-C38 WeakPolarHBondContact CA-SG 3.44Å; A28-C38 VanDerWaalsContact CB-SG 3.59Å; A28-E315 HydrophobicContact CB-CB 4.28Å; A28-E315 WeakPolarHBondContact CB-OE2 3.25Å; A28-E315 PolarHBondContact N-OE2 2.89Å |
| 29 | I | 84.1 | Confident | 86.3 | Confident | 33 Ų | 33 | 42.6 Ų | 42.6 | 17% | 0.169 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | -9.9 | 179.8 | 53.9 | 169.1 | 0 | 0 | 0 | 113 | V37 I39 A50 L102 L305 F311 | I29-V37 HydrophobicContact CD1-CG1 4.05Å; I29-V37 HydrophobicContact CG1-CB 4.31Å; I29-V37 HydrophobicContact CG1-CG1 3.96Å; I29-V37 WeakPolarHBondContact CG1-O 3.29Å; I29-V37 PolarHBondContact N-O 3.38Å; I29-I39 HydrophobicContact CD1-CG1 3.97Å; I29-I39 HydrophobicContact CG1-CG1 4.34Å; I29-I39 HydrophobicContact CG2-CD1 3.63Å; I29-I39 HydrophobicContact CG2-CG1 3.61Å; I29-A50 HydrophobicContact CD1-CB 4.3Å; I29-L102 HydrophobicContact CD1-CD1 4.09Å; I29-L305 HydrophobicContact CG2-CD1 4.18Å; I29-L305 HydrophobicContact CG2-CD2 4.35Å; I29-F311 WeakPolarHBondContact O-CD2 3.28Å |
| 30 | G | 82.3 | Confident | 86.4 | Confident | 14 Ų | 14 | 40 Ų | 40 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 164.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | K36 V37 | G30-K36 WeakPolarHBondContact O-CA 3.44Å; G30-V37 PolarHBondContact N-O 3.44Å; G30-V37 VanDerWaalsContact N-O 3.13Å; G30-V37 PolarHBondContact O-N 3.41Å |
| 31 | K | 81.1 | Confident | 86.6 | Confident | 120 Ų | 120 | 40.8 Ų | 40.8 | 52% | 0.522 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 121.3 | 177.1 | -170.9 | 175.2 | -174.4 | 167 | 0 | 109.2 | F311 E314 | K31-F311 HydrophobicContact CB-CD1 3.77Å; K31-F311 HydrophobicContact CB-CE1 3.41Å; K31-F311 VanDerWaalsContact CB-CE1 3.41Å; K31-F311 HydrophobicContact CB-CZ 4.28Å; K31-F311 HydrophobicContact CD-CE1 4.39Å; K31-E314 VanDerWaalsContact NZ-CD 3.34Å; K31-E314 IonicContact NZ-OE1 2.75Å; K31-E314 PolarHBondContact NZ-OE1 2.86Å; K31-E314 VanDerWaalsContact NZ-OE1 3.1Å; K31-E314 IonicContact NZ-OE2 3.95Å; K31-E314 PolarHBondContact NZ-OE2 3.3Å |
| 32 | G | 74.6 | Confident | 86.9 | Confident | 34 Ų | 34 | 37.5 Ų | 37.5 | 35% | 0.351 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 172.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F34 G35 | G32-F34 PolarHBondContact O-N 3.03Å; G32-G35 PolarHBondContact N-O 3Å; G32-G35 PolarHBondContact O-N 3.46Å |
| 33 | S | 73.3 | Confident | 87 | Confident | 84 Ų | 84 | 38.6 Ų | 38.6 | 59% | 0.587 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.4 | 179 | -55.2 | 0 | 0 | 0 | 0 | 114 | R62 | S33-R62 PolarHBondContact O-NH1 3.34Š|
| 34 | F | 78.6 | Confident | 86.9 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 1.6 | -173 | -46.4 | -70.7 | 0 | 0 | 0 | 113.6 | G32 M54 N55 R62 E64 | G32-F34 PolarHBondContact O-N 3.03Å; F34-M54 HydrophobicContact CB-CB 4.48Å; F34-N55 WeakPolarHBondContact O-CB 3.23Å; F34-N55 PolarHBondContact O-N 3.41Å; F34-R62 HydrophobicContact CE1-CB 4.25Å; F34-E64 HydrophobicContact CE1-CB 3.85Å; F34-E64 HydrophobicContact CE1-CG 3.64Å; F34-E64 HydrophobicContact CE2-CB 4.24Å; F34-E64 HydrophobicContact CE2-CG 4.35Å; F34-E64 HydrophobicContact CZ-CB 3.62Å; F34-E64 HydrophobicContact CZ-CG 3.37Å |
| 35 | G | 82.5 | Confident | 87 | Confident | 22 Ų | 22 | 40.6 Ų | 40.6 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.4 | -144.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G32 Y53 | G32-G35 PolarHBondContact N-O 3Å; G32-G35 PolarHBondContact O-N 3.46Å; G35-Y53 WeakPolarHBondContact CA-O 3.11Å |
| 36 | K | 85.4 | Confident | 87.2 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 12% | 0.117 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 164.6 | -171.8 | -66.1 | 178.4 | 176.6 | -172.1 | 0 | 110.2 | G30 K52 Y53 E319 | G30-K36 WeakPolarHBondContact O-CA 3.44Å; K36-K52 WeakPolarHBondContact O-CA 3.34Å; K36-Y53 HydrophobicContact CB-CD2 3.67Å; K36-Y53 HydrophobicContact CB-CE2 3.58Å; K36-Y53 WeakPolarHBondContact O-CD2 3.45Å; K36-Y53 PolarHBondContact O-N 2.91Å; K36-E319 WeakPolarHBondContact CE-OE1 3.23Å; K36-E319 IonicContact NZ-OE1 2.93Å; K36-E319 PolarHBondContact NZ-OE1 3.11Å; K36-E319 IonicContact NZ-OE2 3.46Å; K36-E319 PolarHBondContact NZ-OE2 3.31Å |
| 37 | V | 90.3 | Very high | 87.6 | Confident | 37 Ų | 37 | 44.8 Ų | 44.8 | 22% | 0.224 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.4 | 171.2 | -173.2 | 0 | 0 | 0 | 0 | 107.4 | I29 G30 A50 M51 K52 | I29-V37 HydrophobicContact CD1-CG1 4.05Å; I29-V37 HydrophobicContact CG1-CB 4.31Å; I29-V37 HydrophobicContact CG1-CG1 3.96Å; I29-V37 WeakPolarHBondContact CG1-O 3.29Å; I29-V37 PolarHBondContact N-O 3.38Å; G30-V37 PolarHBondContact N-O 3.44Å; G30-V37 VanDerWaalsContact N-O 3.13Å; G30-V37 PolarHBondContact O-N 3.41Å; V37-A50 HydrophobicContact CG1-CB 4.19Å; V37-M51 VanDerWaalsContact CA-O 3.31Å; V37-M51 WeakPolarHBondContact CA-O 3.48Å; V37-K52 HydrophobicContact CG2-CB 4.24Å; V37-K52 HydrophobicContact CG2-CG 4.28Å |
| 38 | C | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 155.4 | 174.9 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | I25 R27 A28 A50 M51 Y53 | I25-C38 HydrophobicContact CG2-CB 4.18Å; R27-C38 CarbonylContact O-C 3.58Å; R27-C38 WeakPolarHBondContact O-CA 3.21Å; R27-C38 VanDerWaalsContact O-CB 3.25Å; R27-C38 WeakPolarHBondContact O-CB 3.49Å; A28-C38 WeakPolarHBondContact CA-SG 3.44Å; A28-C38 VanDerWaalsContact CB-SG 3.59Å; C38-A50 CarbonylContact O-C 3.57Å; C38-A50 WeakPolarHBondContact O-CA 3.21Å; C38-M51 PolarHBondContact N-O 3.19Å; C38-M51 PolarHBondContact O-N 2.96Å; C38-Y53 HydrophobicContact CB-CE2 4.34Å; C38-Y53 WeakPolarHBondContact CB-OH 3.35Å; C38-Y53 VanDerWaalsContact SG-CE2 3.57Å; C38-Y53 PolarHBondContact SG-OH 3.17Å |
| 39 | I | 92.1 | Very high | 88.7 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 132 | 165.3 | -60.1 | 176.9 | 0 | 0 | 0 | 108.3 | L26 R27 I29 M48 Y49 L102 L104 L305 | L26-I39 HydrophobicContact CB-CB 4.43Å; L26-I39 HydrophobicContact CB-CG2 4.34Å; L26-I39 WeakPolarHBondContact CB-O 3.22Å; L26-I39 HydrophobicContact CD1-CG2 4.06Å; L26-I39 PolarHBondContact N-O 3.06Å; R27-I39 PolarHBondContact O-N 2.86Å; I29-I39 HydrophobicContact CD1-CG1 3.97Å; I29-I39 HydrophobicContact CG1-CG1 4.34Å; I29-I39 HydrophobicContact CG2-CD1 3.63Å; I29-I39 HydrophobicContact CG2-CG1 3.61Å; I39-M48 HydrophobicContact CG2-CE 3.25Å; I39-M48 HydrophobicContact CG2-SD 4.3Å; I39-Y49 WeakPolarHBondContact CA-O 3.47Å; I39-L102 HydrophobicContact CD1-CD1 4.41Å; I39-L102 HydrophobicContact CG1-CD1 3.86Å; I39-L102 HydrophobicContact CG1-CD2 4.39Å; I39-L102 HydrophobicContact CG2-CD2 3.87Å; I39-L104 HydrophobicContact CD1-CD2 4.42Å; I39-L305 HydrophobicContact CD1-CD1 4.32Å; I39-L305 HydrophobicContact CD1-CD2 4.04Å |
| 40 | V | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.4 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | F23 E24 I25 M48 Y49 M51 V99 | F23-V40 HydrophobicContact CB-CB 4.28Å; F23-V40 HydrophobicContact CD1-CB 4.32Å; F23-V40 HydrophobicContact CD1-CG2 3.8Å; F23-V40 HydrophobicContact CE1-CG2 4.43Å; F23-V40 HydrophobicContact CG-CG2 4.46Å; E24-V40 CarbonylContact O-C 3.58Å; E24-V40 VanDerWaalsContact O-CA 3.23Å; E24-V40 WeakPolarHBondContact O-CA 3.18Å; I25-V40 HydrophobicContact CD1-CB 4.35Å; I25-V40 HydrophobicContact CD1-CG1 3.39Å; V40-M48 CarbonylContact O-C 3.52Å; V40-M48 WeakPolarHBondContact O-CA 3.43Å; V40-Y49 PolarHBondContact N-O 3.35Å; V40-Y49 PolarHBondContact O-N 3.45Å; V40-M51 HydrophobicContact CB-CB 4.33Å; V40-M51 HydrophobicContact CB-CE 4.29Å; V40-M51 HydrophobicContact CG1-CB 3.48Å; V40-M51 VanDerWaalsContact CG1-CB 3.48Å; V40-M51 HydrophobicContact CG1-CE 3.97Å; V40-M51 HydrophobicContact CG1-CG 4.39Å; V40-M51 HydrophobicContact CG1-SD 4.15Å; V40-M51 HydrophobicContact CG2-CB 3.87Å; V40-M51 HydrophobicContact CG2-CE 4.05Å; V40-V99 HydrophobicContact CG2-CG1 4.48Å |
| 41 | Q | 95.7 | Very high | 89.9 | Confident | 45 Ų | 45 | 41 Ų | 41 | 21% | 0.21 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.9 | 173.9 | -169.7 | 172.2 | 43.7 | 0 | 0 | 109.8 | F23 E24 L26 N43 K46 M48 | F23-Q41 CarbonylContact C-O 3.57Å; F23-Q41 WeakPolarHBondContact CA-O 3.47Å; E24-Q41 HydrophobicContact CB-CB 4.48Å; E24-Q41 PolarHBondContact N-O 2.88Å; E24-Q41 PolarHBondContact O-N 3.05Å; L26-Q41 HydrophobicContact CD1-CB 4.12Å; Q41-N43 PolarHBondContact O-N 2.65Å; Q41-K46 HydrophobicContact CG-CB 4.5Å; Q41-K46 HydrophobicContact CG-CD 4.46Å; Q41-K46 WeakPolarHBondContact CG-O 3.43Å; Q41-K46 PolarHBondContact NE2-O 3.36Å; Q41-M48 HydrophobicContact CB-SD 3.63Å; Q41-M48 HydrophobicContact CG-SD 3.86Å |
| 42 | K | 95.8 | Very high | 90.5 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.035 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 129.9 | 173.4 | -160.7 | -176.1 | 177.8 | -110.4 | 0 | 109.7 | F23 D44 K46 K47 Y49 Y88 E365 | F23-K42 HydrophobicContact CD1-CB 4.05Å; F23-K42 HydrophobicContact CD1-CG 4.25Å; F23-K42 HydrophobicContact CE1-CB 3.83Å; F23-K42 HydrophobicContact CE1-CD 4.39Å; F23-K42 HydrophobicContact CE1-CG 3.83Å; F23-K42 HydrophobicContact CZ-CD 4.5Å; F23-K42 HydrophobicContact CZ-CG 4.19Å; K42-D44 VanDerWaalsContact CD-OD1 3.29Å; K42-D44 WeakPolarHBondContact CD-OD1 3.46Å; K42-D44 WeakPolarHBondContact CE-OD1 3.45Å; K42-D44 WeakPolarHBondContact CG-OD1 3.44Å; K42-D44 IonicContact NZ-OD1 2.87Å; K42-D44 PolarHBondContact NZ-OD1 3.42Å; K42-D44 IonicContact NZ-OD2 2.81Å; K42-D44 PolarHBondContact NZ-OD2 3.17Å; K42-D44 PolarHBondContact O-N 3.48Å; K42-K46 WeakPolarHBondContact O-CA 3.47Å; K42-K46 PolarHBondContact O-N 3.29Å; K42-K47 PolarHBondContact N-O 2.93Å; K42-Y49 HydrophobicContact CB-CD2 4.44Å; K42-Y49 HydrophobicContact CB-CE2 4.06Å; K42-Y88 HydrophobicContact CD-CE2 4.46Å; K42-Y88 WeakPolarHBondContact CD-OH 3.37Å; K42-E365 IonicContact NZ-OE2 2.65Å |
| 43 | N | 93.7 | Very high | 91.2 | Very high | 28 Ų | 28 | 35.8 Ų | 35.8 | 15% | 0.15 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -36.3 | -165.2 | -76.4 | -26 | 0 | 0 | 0 | 114.5 | F12 D21 H22 Q41 K46 | F12-N43 HydrophobicContact CE2-CB 3.63Å; F12-N43 HydrophobicContact CZ-CB 4.15Å; D21-N43 PolarHBondContact O-ND2 2.81Å; H22-N43 WeakPolarHBondContact O-CB 3.43Å; H22-N43 PolarHBondContact O-N 3.01Å; H22-N43 PolarHBondContact O-ND2 2.7Å; Q41-N43 PolarHBondContact O-N 2.65Å; N43-K46 WeakPolarHBondContact O-CD 3.19Å; N43-K46 WeakPolarHBondContact O-CE 3.35Å; N43-K46 PolarHBondContact O-NZ 3.24Å |
| 44 | D | 91.8 | Very high | 92.1 | Very high | 80 Ų | 80 | 32 Ų | 32 | 43% | 0.428 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -48.2 | -176.6 | 61 | -21.7 | 0 | 0 | 0 | 112.7 | F12 K42 | F12-D44 HydrophobicContact CD2-CB 4.32Å; K42-D44 VanDerWaalsContact CD-OD1 3.29Å; K42-D44 WeakPolarHBondContact CD-OD1 3.46Å; K42-D44 WeakPolarHBondContact CE-OD1 3.45Å; K42-D44 WeakPolarHBondContact CG-OD1 3.44Å; K42-D44 IonicContact NZ-OD1 2.87Å; K42-D44 PolarHBondContact NZ-OD1 3.42Å; K42-D44 IonicContact NZ-OD2 2.81Å; K42-D44 PolarHBondContact NZ-OD2 3.17Å; K42-D44 PolarHBondContact O-N 3.48Å |
| 45 | T | 93.9 | Very high | 92.8 | Very high | 69 Ų | 69 | 32.5 Ų | 32.5 | 42% | 0.423 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -13.9 | -176.3 | 62 | 0 | 0 | 0 | 0 | 113.5 | K47 | T45-K47 PolarHBondContact O-N 2.87Å; T45-K47 WeakPolarHBondContact OG1-CB 3.39Å; T45-K47 PolarHBondContact OG1-N 3.43Å |
| 46 | K | 94.5 | Very high | 93.2 | Very high | 109 Ų | 109 | 31.6 Ų | 31.6 | 47% | 0.474 | 16% | 0.158 | S | C | . | . | trans | 58.9 | 12.2 | -171.5 | -56.2 | -51.6 | -172.6 | -168.9 | 0 | 114.3 | Q41 K42 N43 | Q41-K46 HydrophobicContact CG-CB 4.5Å; Q41-K46 HydrophobicContact CG-CD 4.46Å; Q41-K46 WeakPolarHBondContact CG-O 3.43Å; Q41-K46 PolarHBondContact NE2-O 3.36Å; K42-K46 WeakPolarHBondContact O-CA 3.47Å; K42-K46 PolarHBondContact O-N 3.29Å; N43-K46 WeakPolarHBondContact O-CD 3.19Å; N43-K46 WeakPolarHBondContact O-CE 3.35Å; N43-K46 PolarHBondContact O-NZ 3.24Å | ||
| 47 | K | 95.4 | Very high | 93.5 | Very high | 83 Ų | 83 | 34.8 Ų | 34.8 | 36% | 0.361 | 17% | 0.173 | S | C | . | . | trans | -72.2 | 137.8 | 176.9 | -174.2 | 165.9 | 165.7 | -160.7 | 0 | 110.4 | K42 T45 Y49 W87 | K42-K47 PolarHBondContact N-O 2.93Å; T45-K47 PolarHBondContact O-N 2.87Å; T45-K47 WeakPolarHBondContact OG1-CB 3.39Å; T45-K47 PolarHBondContact OG1-N 3.43Å; K47-Y49 HydrophobicContact CB-CE2 3.9Å; K47-Y49 HydrophobicContact CD-CE1 4.25Å; K47-Y49 HydrophobicContact CD-CE2 4.27Å; K47-Y49 VanDerWaalsContact CD-OH 3.26Å; K47-Y49 WeakPolarHBondContact CD-OH 3.37Å; K47-Y49 WeakPolarHBondContact CE-OH 3.26Å; K47-Y49 HydrophobicContact CG-CE1 4.33Å; K47-Y49 HydrophobicContact CG-CE2 3.81Å; K47-Y49 PolarHBondContact NZ-OH 3.41Å; K47-Y49 WeakPolarHBondContact O-CD2 3.43Å; K47-W87 VanDerWaalsContact NZ-CZ2 3.33Å | ||
| 48 | M | 95.8 | Very high | 93.5 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 36% | 0.355 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 142.2 | -176.9 | -64.5 | -78.6 | -81.1 | 0 | 0 | 110.5 | L26 I39 V40 Q41 L102 | L26-M48 HydrophobicContact CD1-CE 3.46Å; L26-M48 VanDerWaalsContact CD1-CE 3.46Å; L26-M48 HydrophobicContact CD1-SD 3.57Å; L26-M48 VanDerWaalsContact CD1-SD 3.57Å; I39-M48 HydrophobicContact CG2-CE 3.25Å; I39-M48 HydrophobicContact CG2-SD 4.3Å; V40-M48 CarbonylContact O-C 3.52Å; V40-M48 WeakPolarHBondContact O-CA 3.43Å; Q41-M48 HydrophobicContact CB-SD 3.63Å; Q41-M48 HydrophobicContact CG-SD 3.86Å; M48-L102 HydrophobicContact CB-CD2 3.74Å; M48-L102 HydrophobicContact CE-CD2 4.37Å |
| 49 | Y | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 165.6 | -179 | -62.5 | -81.4 | 0 | 0 | 0 | 110.7 | F23 I39 V40 K42 K47 W87 Y88 V99 V100 | F23-Y49 HydrophobicContact CE1-CD2 4.1Å; F23-Y49 HydrophobicContact CE1-CE2 4.48Å; I39-Y49 WeakPolarHBondContact CA-O 3.47Å; V40-Y49 PolarHBondContact N-O 3.35Å; V40-Y49 PolarHBondContact O-N 3.45Å; K42-Y49 HydrophobicContact CB-CD2 4.44Å; K42-Y49 HydrophobicContact CB-CE2 4.06Å; K47-Y49 HydrophobicContact CB-CE2 3.9Å; K47-Y49 HydrophobicContact CD-CE1 4.25Å; K47-Y49 HydrophobicContact CD-CE2 4.27Å; K47-Y49 VanDerWaalsContact CD-OH 3.26Å; K47-Y49 WeakPolarHBondContact CD-OH 3.37Å; K47-Y49 WeakPolarHBondContact CE-OH 3.26Å; K47-Y49 HydrophobicContact CG-CE1 4.33Å; K47-Y49 HydrophobicContact CG-CE2 3.81Å; K47-Y49 PolarHBondContact NZ-OH 3.41Å; K47-Y49 WeakPolarHBondContact O-CD2 3.43Å; Y49-W87 HydrophobicContact CD1-CG 4.25Å; Y49-W87 HydrophobicContact CE1-CB 4.1Å; Y49-W87 AromaticContact CE1-CD1 3.74Å; Y49-W87 AromaticContact CE1-CD2 3.93Å; Y49-W87 HydrophobicContact CE1-CD2 3.93Å; Y49-W87 AromaticContact CE1-CG 3.65Å; Y49-W87 HydrophobicContact CE1-CG 3.65Å; Y49-Y88 HydrophobicContact CE1-CE2 4.3Å; Y49-Y88 HydrophobicContact CE2-CE2 4.02Å; Y49-Y88 AromaticContact CZ-CE2 3.83Å; Y49-Y88 PolarHBondContact OH-OH 2.92Å; Y49-V99 VanDerWaalsContact CB-CG1 3.4Å; Y49-V99 HydrophobicContact CD1-CG1 4.05Å; Y49-V99 HydrophobicContact CD2-CG1 4.15Å; Y49-V99 HydrophobicContact CG-CG1 3.62Å; Y49-V100 WeakPolarHBondContact CB-O 3.12Å |
| 50 | A | 96 | Very high | 93.6 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 7% | 0.066 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | I29 V37 C38 V99 V100 L102 | I29-A50 HydrophobicContact CD1-CB 4.3Å; V37-A50 HydrophobicContact CG1-CB 4.19Å; C38-A50 CarbonylContact O-C 3.57Å; C38-A50 WeakPolarHBondContact O-CA 3.21Å; A50-V99 WeakPolarHBondContact O-CA 3.47Å; A50-V100 HydrophobicContact CB-CG2 3.94Å; A50-V100 PolarHBondContact N-O 2.91Å; A50-V100 PolarHBondContact O-N 3.31Å; A50-L102 HydrophobicContact CB-CD1 4.17Å |
| 51 | M | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.9 | 176.5 | -174.3 | -176.2 | -68.8 | 0 | 0 | 109.9 | F20 F23 I25 V37 C38 V40 Y53 F90 F97 M98 V99 | F20-M51 HydrophobicContact CD2-SD 4.2Å; F20-M51 HydrophobicContact CE2-SD 4.16Å; F23-M51 HydrophobicContact CB-CE 3.79Å; F23-M51 HydrophobicContact CD1-CE 4.18Å; F23-M51 HydrophobicContact CD2-CE 3.74Å; F23-M51 HydrophobicContact CE2-CE 4.38Å; F23-M51 HydrophobicContact CG-CE 3.63Å; I25-M51 HydrophobicContact CD1-CE 4.39Å; I25-M51 HydrophobicContact CD1-SD 4.09Å; V37-M51 VanDerWaalsContact CA-O 3.31Å; V37-M51 WeakPolarHBondContact CA-O 3.48Å; C38-M51 PolarHBondContact N-O 3.19Å; C38-M51 PolarHBondContact O-N 2.96Å; V40-M51 HydrophobicContact CB-CB 4.33Å; V40-M51 HydrophobicContact CB-CE 4.29Å; V40-M51 HydrophobicContact CG1-CB 3.48Å; V40-M51 VanDerWaalsContact CG1-CB 3.48Å; V40-M51 HydrophobicContact CG1-CE 3.97Å; V40-M51 HydrophobicContact CG1-CG 4.39Å; V40-M51 HydrophobicContact CG1-SD 4.15Å; V40-M51 HydrophobicContact CG2-CB 3.87Å; V40-M51 HydrophobicContact CG2-CE 4.05Å; M51-Y53 HydrophobicContact CB-CE1 4.14Å; M51-Y53 HydrophobicContact CG-CD1 3.85Å; M51-Y53 HydrophobicContact CG-CE1 3.79Å; M51-Y53 HydrophobicContact SD-CD1 3.9Å; M51-Y53 HydrophobicContact SD-CE1 3.68Å; M51-F90 HydrophobicContact CE-CZ 3.74Å; M51-F90 HydrophobicContact SD-CZ 4.48Å; M51-F97 HydrophobicContact CG-CD1 4.15Å; M51-F97 HydrophobicContact SD-CD1 3.59Å; M51-F97 VanDerWaalsContact SD-CD1 3.59Å; M51-F97 HydrophobicContact SD-CE1 4.17Å; M51-F97 HydrophobicContact SD-CG 4.44Å; M51-M98 CarbonylContact C-O 3.58Å; M51-M98 VanDerWaalsContact CA-O 3.31Å; M51-M98 WeakPolarHBondContact CA-O 3.21Å; M51-V99 HydrophobicContact CB-CG2 4.4Å; M51-V99 HydrophobicContact CE-CG2 3.72Å; M51-V99 HydrophobicContact CG-CG2 4.03Å |
| 52 | K | 93.4 | Very high | 93.2 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.9 | 170.7 | -179.1 | -174.6 | -179.5 | -170.3 | 0 | 108.4 | K36 V37 M54 E71 F97 M98 N166 | K36-K52 WeakPolarHBondContact O-CA 3.34Å; V37-K52 HydrophobicContact CG2-CB 4.24Å; V37-K52 HydrophobicContact CG2-CG 4.28Å; K52-M54 HydrophobicContact CD-SD 4.33Å; K52-M54 HydrophobicContact CG-CG 4.37Å; K52-E71 VanDerWaalsContact NZ-CD 3.3Å; K52-E71 IonicContact NZ-OE1 2.69Å; K52-E71 PolarHBondContact NZ-OE1 2.71Å; K52-E71 IonicContact NZ-OE2 3.36Å; K52-E71 PolarHBondContact NZ-OE2 3.02Å; K52-F97 WeakPolarHBondContact O-CA 3.18Å; K52-M98 HydrophobicContact CB-CB 4.28Å; K52-M98 HydrophobicContact CD-SD 4.34Å; K52-M98 PolarHBondContact N-O 3.45Å; K52-M98 PolarHBondContact O-N 3.26Å; K52-N166 PolarHBondContact NZ-OD1 3.26Å |
| 53 | Y | 89.6 | Confident | 93 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 138.9 | 172.8 | -12.5 | -77.9 | 0 | 0 | 0 | 110.1 | G35 K36 C38 M51 M96 F97 L323 | G35-Y53 WeakPolarHBondContact CA-O 3.11Å; K36-Y53 HydrophobicContact CB-CD2 3.67Å; K36-Y53 HydrophobicContact CB-CE2 3.58Å; K36-Y53 WeakPolarHBondContact O-CD2 3.45Å; K36-Y53 PolarHBondContact O-N 2.91Å; C38-Y53 HydrophobicContact CB-CE2 4.34Å; C38-Y53 WeakPolarHBondContact CB-OH 3.35Å; C38-Y53 VanDerWaalsContact SG-CE2 3.57Å; C38-Y53 PolarHBondContact SG-OH 3.17Å; M51-Y53 HydrophobicContact CB-CE1 4.14Å; M51-Y53 HydrophobicContact CG-CD1 3.85Å; M51-Y53 HydrophobicContact CG-CE1 3.79Å; M51-Y53 HydrophobicContact SD-CD1 3.9Å; M51-Y53 HydrophobicContact SD-CE1 3.68Å; Y53-M96 WeakPolarHBondContact CA-O 3.49Å; Y53-F97 AromaticContact CD1-CD1 3.76Å; Y53-F97 HydrophobicContact CD1-CD1 3.76Å; Y53-F97 AromaticContact CD1-CE1 3.74Å; Y53-F97 HydrophobicContact CD1-CE1 3.74Å; Y53-F97 HydrophobicContact CG-CE1 4.4Å; Y53-L323 HydrophobicContact CD1-CD2 4.08Å; Y53-L323 HydrophobicContact CD2-CD1 4.19Å; Y53-L323 HydrophobicContact CD2-CD2 4.26Å; Y53-L323 HydrophobicContact CE1-CD2 3.77Å; Y53-L323 HydrophobicContact CE2-CD1 3.61Å; Y53-L323 HydrophobicContact CE2-CD2 3.97Å; Y53-L323 HydrophobicContact CE2-CG 4.46Å; Y53-L323 HydrophobicContact CG-CD2 4.27Å |
| 54 | M | 92.6 | Very high | 93 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 114.5 | 179.6 | -64.7 | 156.8 | -71.2 | 0 | 0 | 108.6 | F34 K52 K56 V68 D95 M96 M98 | F34-M54 HydrophobicContact CB-CB 4.48Å; K52-M54 HydrophobicContact CD-SD 4.33Å; K52-M54 HydrophobicContact CG-CG 4.37Å; M54-K56 PolarHBondContact O-N 2.83Å; M54-V68 HydrophobicContact CE-CG1 4.06Å; M54-V68 HydrophobicContact SD-CB 4.41Å; M54-V68 HydrophobicContact SD-CG1 3.59Å; M54-V68 VanDerWaalsContact SD-CG1 3.59Å; M54-V68 HydrophobicContact SD-CG2 3.95Å; M54-D95 WeakPolarHBondContact O-CA 3.47Å; M54-M96 HydrophobicContact CB-CB 4.44Å; M54-M96 HydrophobicContact CB-CE 4.35Å; M54-M96 HydrophobicContact CE-CB 4.18Å; M54-M96 PolarHBondContact N-O 3.08Å; M54-M96 PolarHBondContact O-N 2.95Å; M54-M98 HydrophobicContact CE-CB 4.33Å; M54-M98 HydrophobicContact CE-CG 3.69Å; M54-M98 HydrophobicContact CE-SD 3.6Å; M54-M98 HydrophobicContact SD-SD 4.09Å |
| 55 | N | 92.1 | Very high | 93.1 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 120.7 | -176.8 | -176.7 | -99.8 | 0 | 0 | 0 | 111.5 | F34 Q57 K58 C59 E94 D95 | F34-N55 WeakPolarHBondContact O-CB 3.23Å; F34-N55 PolarHBondContact O-N 3.41Å; N55-Q57 VanDerWaalsContact C-N 3.31Å; N55-Q57 PolarHBondContact O-N 2.96Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.37Å; N55-Q57 PolarHBondContact OD1-N 3.49Å; N55-K58 HydrophobicContact CB-CB 4.17Å; N55-K58 HydrophobicContact CB-CD 4.11Å; N55-K58 HydrophobicContact CB-CG 4.19Å; N55-K58 PolarHBondContact O-N 2.9Å; N55-K58 PolarHBondContact OD1-N 2.87Å; N55-C59 PolarHBondContact O-N 2.88Å; N55-C59 PolarHBondContact O-SG 2.99Å; N55-E94 PolarHBondContact ND2-O 3.34Å; N55-D95 WeakPolarHBondContact CA-OD1 3.42Å; N55-D95 WeakPolarHBondContact CB-OD1 3.44Å; N55-D95 PolarHBondContact ND2-OD1 3.31Å |
| 56 | K | 92.3 | Very high | 93 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.6 | -44.8 | -175 | -71.2 | 179.1 | 168.8 | -176.7 | 0 | 111.6 | M54 K58 C59 V60 D92 E94 M96 L352 V355 | M54-K56 PolarHBondContact O-N 2.83Å; K56-K58 PolarHBondContact O-N 3.42Å; K56-C59 PolarHBondContact O-N 3.04Å; K56-V60 WeakPolarHBondContact O-CG2 3.44Å; K56-V60 PolarHBondContact O-N 3.41Å; K56-D92 VanDerWaalsContact CE-O 3.24Å; K56-D92 WeakPolarHBondContact CE-O 3.34Å; K56-D92 PolarHBondContact NZ-O 3.46Å; K56-E94 WeakPolarHBondContact CB-O 3.42Å; K56-E94 PolarHBondContact N-O 3.44Å; K56-M96 HydrophobicContact CG-CE 4.4Å; K56-M96 HydrophobicContact CG-CG 3.96Å; K56-L352 HydrophobicContact CB-CD2 3.65Å; K56-V355 HydrophobicContact CD-CG1 4.32Å; K56-V355 HydrophobicContact CG-CG1 4.34Å |
| 57 | Q | 90.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 56.8 Ų | 56.8 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.5 | -50 | 178.9 | 161.7 | 160.1 | 19.1 | 0 | 0 | 111.4 | N55 C59 V60 E61 F348 | N55-Q57 VanDerWaalsContact C-N 3.31Å; N55-Q57 PolarHBondContact O-N 2.96Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.37Å; N55-Q57 PolarHBondContact OD1-N 3.49Å; Q57-C59 VanDerWaalsContact C-N 3.29Å; Q57-C59 PolarHBondContact O-N 3.15Å; Q57-V60 PolarHBondContact O-N 3.4Å; Q57-E61 HydrophobicContact CG-CG 4.47Å; Q57-E61 VanDerWaalsContact CG-OE1 3.22Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.23Å; Q57-E61 PolarHBondContact NE2-OE1 2.74Å; Q57-E61 WeakPolarHBondContact O-CB 3.45Å; Q57-E61 VanDerWaalsContact O-CG 3.3Å; Q57-E61 WeakPolarHBondContact O-CG 3.48Å; Q57-E61 PolarHBondContact O-N 3.16Å; Q57-F348 HydrophobicContact CB-CE1 3.9Å; Q57-F348 HydrophobicContact CB-CZ 3.84Å; Q57-F348 HydrophobicContact CG-CE1 3.79Å; Q57-F348 HydrophobicContact CG-CZ 3.58Å |
| 58 | K | 91.2 | Very high | 92.8 | Very high | 95 Ų | 95 | 53 Ų | 53 | 41% | 0.413 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -35.6 | 176.4 | -69.2 | -179.6 | -177 | 174.7 | 0 | 113 | N55 K56 R62 | N55-K58 HydrophobicContact CB-CB 4.17Å; N55-K58 HydrophobicContact CB-CD 4.11Å; N55-K58 HydrophobicContact CB-CG 4.19Å; N55-K58 PolarHBondContact O-N 2.9Å; N55-K58 PolarHBondContact OD1-N 2.87Å; K56-K58 PolarHBondContact O-N 3.42Å; K58-R62 WeakPolarHBondContact O-CB 3.37Å; K58-R62 WeakPolarHBondContact O-CG 3.43Å; K58-R62 PolarHBondContact O-N 3.17Å |
| 59 | C | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.8 | -41.4 | 177.2 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | N55 K56 Q57 N63 E64 V65 M96 | N55-C59 PolarHBondContact O-N 2.88Å; N55-C59 PolarHBondContact O-SG 2.99Å; K56-C59 PolarHBondContact O-N 3.04Å; Q57-C59 VanDerWaalsContact C-N 3.29Å; Q57-C59 PolarHBondContact O-N 3.15Å; C59-N63 PolarHBondContact O-N 2.66Å; C59-N63 VanDerWaalsContact O-N 3.12Å; C59-E64 PolarHBondContact O-N 2.81Å; C59-V65 HydrophobicContact CB-CG2 3.92Å; C59-M96 HydrophobicContact CB-CE 4.16Å |
| 60 | V | 92.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.2 | -49.1 | 176 | 173 | 0 | 0 | 0 | 0 | 110.5 | K56 Q57 R62 N63 V65 F348 H351 L352 V355 | K56-V60 WeakPolarHBondContact O-CG2 3.44Å; K56-V60 PolarHBondContact O-N 3.41Å; Q57-V60 PolarHBondContact O-N 3.4Å; V60-R62 PolarHBondContact O-N 3.27Å; V60-R62 VanDerWaalsContact O-N 3.17Å; V60-N63 PolarHBondContact O-N 2.86Å; V60-V65 HydrophobicContact CG2-CG2 3.81Å; V60-F348 HydrophobicContact CB-CE2 4Å; V60-F348 HydrophobicContact CB-CZ 4.17Å; V60-F348 HydrophobicContact CG1-CD2 4.14Å; V60-F348 HydrophobicContact CG1-CE2 3.58Å; V60-F348 HydrophobicContact CG1-CZ 4.2Å; V60-H351 HydrophobicContact CG1-CB 3.8Å; V60-H351 HydrophobicContact CG2-CB 4.39Å; V60-L352 HydrophobicContact CG2-CD2 4.16Å; V60-V355 HydrophobicContact CG2-CG2 4.09Å |
| 61 | E | 91.5 | Very high | 92.6 | Very high | 118 Ų | 118 | 54.7 Ų | 54.7 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -57.4 | -32.8 | -180 | -73.5 | 170.5 | -178.6 | 0 | 0 | 113 | Q57 F348 | Q57-E61 HydrophobicContact CG-CG 4.47Å; Q57-E61 VanDerWaalsContact CG-OE1 3.22Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.23Å; Q57-E61 PolarHBondContact NE2-OE1 2.74Å; Q57-E61 WeakPolarHBondContact O-CB 3.45Å; Q57-E61 VanDerWaalsContact O-CG 3.3Å; Q57-E61 WeakPolarHBondContact O-CG 3.48Å; Q57-E61 PolarHBondContact O-N 3.16Å; E61-F348 HydrophobicContact CG-CE2 3.86Å; E61-F348 HydrophobicContact CG-CZ 4.1Å |
| 62 | R | 90.9 | Very high | 92.6 | Very high | 142 Ų | 142 | 55.1 Ų | 55.1 | 54% | 0.536 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 0.7 | 179.7 | -65.3 | 178 | 177.6 | -177.3 | 3.2 | 113.9 | S33 F34 K58 V60 E64 | S33-R62 PolarHBondContact O-NH1 3.34Å; F34-R62 HydrophobicContact CE1-CB 4.25Å; K58-R62 WeakPolarHBondContact O-CB 3.37Å; K58-R62 WeakPolarHBondContact O-CG 3.43Å; K58-R62 PolarHBondContact O-N 3.17Å; V60-R62 PolarHBondContact O-N 3.27Å; V60-R62 VanDerWaalsContact O-N 3.17Å; R62-E64 VanDerWaalsContact C-N 3.33Å; R62-E64 HydrophobicContact CB-CG 3.84Å; R62-E64 PolarHBondContact O-N 2.93Å |
| 63 | N | 91.5 | Very high | 92.8 | Very high | 119 Ų | 119 | 59.3 Ų | 59.3 | 64% | 0.636 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 40.5 | -176.4 | -165.3 | 33.6 | 0 | 0 | 0 | 113.8 | C59 V60 | C59-N63 PolarHBondContact O-N 2.66Å; C59-N63 VanDerWaalsContact O-N 3.12Å; V60-N63 PolarHBondContact O-N 2.86Å |
| 64 | E | 92.7 | Very high | 93.1 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | trans | -107.9 | -4.9 | -172.2 | -72.3 | -77 | 169 | 0 | 0 | 113.2 | F34 C59 R62 R66 N67 V68 | F34-E64 HydrophobicContact CE1-CB 3.85Å; F34-E64 HydrophobicContact CE1-CG 3.64Å; F34-E64 HydrophobicContact CE2-CB 4.24Å; F34-E64 HydrophobicContact CE2-CG 4.35Å; F34-E64 HydrophobicContact CZ-CB 3.62Å; F34-E64 HydrophobicContact CZ-CG 3.37Å; C59-E64 PolarHBondContact O-N 2.81Å; R62-E64 VanDerWaalsContact C-N 3.33Å; R62-E64 HydrophobicContact CB-CG 3.84Å; R62-E64 PolarHBondContact O-N 2.93Å; E64-R66 PolarHBondContact O-N 3.2Å; E64-N67 PolarHBondContact O-N 3.45Å; E64-N67 PolarHBondContact OE2-ND2 2.85Å; E64-V68 PolarHBondContact O-N 2.87Å | ||
| 65 | V | 93.2 | Very high | 93.4 | Very high | 21 Ų | 21 | 59.5 Ų | 59.5 | 13% | 0.127 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -52.8 | -43.2 | 178.5 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | C59 V60 N67 V68 F69 V355 | C59-V65 HydrophobicContact CB-CG2 3.92Å; V60-V65 HydrophobicContact CG2-CG2 3.81Å; V65-N67 VanDerWaalsContact C-N 3.31Å; V65-N67 PolarHBondContact O-N 3.05Å; V65-V68 PolarHBondContact O-N 2.89Å; V65-F69 HydrophobicContact CG1-CD1 4.35Å; V65-F69 HydrophobicContact CG1-CD2 4.37Å; V65-F69 HydrophobicContact CG1-CE1 4.02Å; V65-F69 HydrophobicContact CG1-CE2 4.04Å; V65-F69 HydrophobicContact CG1-CZ 3.88Å; V65-F69 PolarHBondContact O-N 3.22Å; V65-V355 HydrophobicContact CG1-CG1 4.44Å; V65-V355 HydrophobicContact CG1-CG2 3.77Å; V65-V355 HydrophobicContact CG2-CG2 3.95Å |
| 66 | R | 92.6 | Very high | 93.6 | Very high | 199 Ų | 199 | 60.2 Ų | 60.2 | 75% | 0.751 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.2 | -37.6 | 178.8 | -68 | -177.2 | 179.2 | 173.3 | 0.7 | 112.6 | E64 K70 | E64-R66 PolarHBondContact O-N 3.2Å; R66-K70 VanDerWaalsContact O-CB 3.3Å; R66-K70 WeakPolarHBondContact O-CB 3.21Å; R66-K70 PolarHBondContact O-N 3.23Å |
| 67 | N | 92.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 62.4 Ų | 62.4 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.7 | -40.3 | 178.6 | -67.1 | -27.3 | 0 | 0 | 0 | 110.8 | E64 V65 K70 E71 | E64-N67 PolarHBondContact O-N 3.45Å; E64-N67 PolarHBondContact OE2-ND2 2.85Å; V65-N67 VanDerWaalsContact C-N 3.31Å; V65-N67 PolarHBondContact O-N 3.05Å; N67-K70 PolarHBondContact O-N 3.21Å; N67-E71 WeakPolarHBondContact O-CB 3.34Å; N67-E71 PolarHBondContact O-N 3.3Å |
| 68 | V | 93.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 173.9 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | M54 E64 V65 K70 E71 L72 M96 | M54-V68 HydrophobicContact CE-CG1 4.06Å; M54-V68 HydrophobicContact SD-CB 4.41Å; M54-V68 HydrophobicContact SD-CG1 3.59Å; M54-V68 VanDerWaalsContact SD-CG1 3.59Å; M54-V68 HydrophobicContact SD-CG2 3.95Å; E64-V68 PolarHBondContact O-N 2.87Å; V65-V68 PolarHBondContact O-N 2.89Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 2.81Å; V68-E71 PolarHBondContact O-N 2.82Å; V68-L72 HydrophobicContact CG1-CD1 4.24Å; V68-L72 PolarHBondContact O-N 2.92Å; V68-M96 HydrophobicContact CB-CE 4.4Å; V68-M96 HydrophobicContact CG1-CE 3.94Å; V68-M96 HydrophobicContact CG1-SD 4.15Å; V68-M96 HydrophobicContact CG2-CE 4.47Å |
| 69 | F | 95.3 | Very high | 94.5 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 17% | 0.171 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -38.3 | 178.4 | -74.8 | 7.1 | 0 | 0 | 0 | 112 | V65 L72 Q73 M96 V355 E358 F359 | V65-F69 HydrophobicContact CG1-CD1 4.35Å; V65-F69 HydrophobicContact CG1-CD2 4.37Å; V65-F69 HydrophobicContact CG1-CE1 4.02Å; V65-F69 HydrophobicContact CG1-CE2 4.04Å; V65-F69 HydrophobicContact CG1-CZ 3.88Å; V65-F69 PolarHBondContact O-N 3.22Å; F69-L72 PolarHBondContact O-N 3.28Å; F69-Q73 WeakPolarHBondContact O-CB 3.43Å; F69-Q73 PolarHBondContact O-N 3.5Å; F69-M96 HydrophobicContact CD1-SD 4.44Å; F69-M96 HydrophobicContact CE1-SD 3.71Å; F69-V355 HydrophobicContact CE1-CG1 4.3Å; F69-V355 HydrophobicContact CZ-CG1 4Å; F69-E358 HydrophobicContact CE2-CB 3.69Å; F69-E358 HydrophobicContact CZ-CB 4.29Å; F69-F359 HydrophobicContact CE1-CB 4.38Å; F69-F359 AromaticContact CE1-CD2 3.8Å; F69-F359 HydrophobicContact CE1-CD2 3.8Å; F69-F359 HydrophobicContact CZ-CB 4.22Å; F69-F359 HydrophobicContact CZ-CD2 4.45Å |
| 70 | K | 94.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 58.4 Ų | 58.4 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 174.5 | -173 | -168.6 | -179 | -160.4 | 0 | 112 | R66 N67 V68 Q73 I74 A168 | R66-K70 VanDerWaalsContact O-CB 3.3Å; R66-K70 WeakPolarHBondContact O-CB 3.21Å; R66-K70 PolarHBondContact O-N 3.23Å; N67-K70 PolarHBondContact O-N 3.21Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 2.81Å; K70-Q73 PolarHBondContact O-N 3.41Å; K70-I74 HydrophobicContact CG-CD1 4.19Å; K70-I74 WeakPolarHBondContact O-CG1 3.26Å; K70-I74 PolarHBondContact O-N 3.28Å; K70-A168 WeakPolarHBondContact CE-O 3.3Å; K70-A168 PolarHBondContact NZ-O 3.07Å |
| 71 | E | 95.4 | Very high | 95 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58 | -50 | 175.3 | -174.9 | -173.6 | -165.7 | 0 | 0 | 110.3 | K52 N67 V68 Q73 I74 M75 M98 F165 N166 | K52-E71 VanDerWaalsContact NZ-CD 3.3Å; K52-E71 IonicContact NZ-OE1 2.69Å; K52-E71 PolarHBondContact NZ-OE1 2.71Å; K52-E71 IonicContact NZ-OE2 3.36Å; K52-E71 PolarHBondContact NZ-OE2 3.02Å; N67-E71 WeakPolarHBondContact O-CB 3.34Å; N67-E71 PolarHBondContact O-N 3.3Å; V68-E71 PolarHBondContact O-N 2.82Å; E71-Q73 PolarHBondContact O-N 3.4Å; E71-I74 PolarHBondContact O-N 3.38Å; E71-M75 HydrophobicContact CG-SD 4.13Å; E71-M75 WeakPolarHBondContact O-CG 3.33Å; E71-M75 PolarHBondContact O-N 3.11Å; E71-M98 HydrophobicContact CG-CE 4.09Å; E71-F165 HydrophobicContact CG-CB 4.03Å; E71-N166 PolarHBondContact OE1-OD1 3.43Å; E71-N166 PolarHBondContact OE2-OD1 2.92Å |
| 72 | L | 95.7 | Very high | 95.4 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56 | -50.7 | 175.4 | -83 | 169.3 | 0 | 0 | 0 | 112 | V68 F69 I74 M75 Q76 L86 S89 M98 F359 | V68-L72 HydrophobicContact CG1-CD1 4.24Å; V68-L72 PolarHBondContact O-N 2.92Å; F69-L72 PolarHBondContact O-N 3.28Å; L72-I74 VanDerWaalsContact C-N 3.3Å; L72-I74 PolarHBondContact O-N 3.11Å; L72-M75 PolarHBondContact O-N 3.06Å; L72-Q76 WeakPolarHBondContact O-CB 3.45Å; L72-Q76 WeakPolarHBondContact O-CG 3.32Å; L72-Q76 PolarHBondContact O-N 3.44Å; L72-L86 HydrophobicContact CD2-CD2 4.09Å; L72-S89 VanDerWaalsContact CD2-CB 3.46Å; L72-M98 HydrophobicContact CD2-CE 4.17Å; L72-M98 HydrophobicContact CD2-CG 3.43Å; L72-M98 VanDerWaalsContact CD2-CG 3.43Å; L72-M98 HydrophobicContact CD2-SD 3.93Å; L72-M98 HydrophobicContact CG-CG 4.15Å; L72-M98 HydrophobicContact CG-SD 4.1Å; L72-F359 HydrophobicContact CD1-CD2 4.36Å; L72-F359 HydrophobicContact CD1-CE2 3.55Å; L72-F359 HydrophobicContact CD1-CZ 3.95Å |
| 73 | Q | 96 | Very high | 95.8 | Very high | 124 Ų | 124 | 46.5 Ų | 46.5 | 58% | 0.579 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -58.6 | -42.2 | 179.9 | -175.6 | -174.6 | 6.8 | 0 | 0 | 112 | F69 K70 E71 | F69-Q73 WeakPolarHBondContact O-CB 3.43Å; F69-Q73 PolarHBondContact O-N 3.5Å; K70-Q73 PolarHBondContact O-N 3.41Å; E71-Q73 PolarHBondContact O-N 3.4Å |
| 74 | I | 97.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -54.2 | 175.3 | -71.5 | 171.3 | 0 | 0 | 0 | 109.3 | K70 E71 L72 Q76 G77 L78 I142 F165 A168 | K70-I74 HydrophobicContact CG-CD1 4.19Å; K70-I74 WeakPolarHBondContact O-CG1 3.26Å; K70-I74 PolarHBondContact O-N 3.28Å; E71-I74 PolarHBondContact O-N 3.38Å; L72-I74 VanDerWaalsContact C-N 3.3Å; L72-I74 PolarHBondContact O-N 3.11Å; I74-Q76 VanDerWaalsContact C-N 3.28Å; I74-Q76 PolarHBondContact O-N 3.01Å; I74-G77 PolarHBondContact O-N 3.42Å; I74-G77 VanDerWaalsContact O-N 3.08Å; I74-L78 HydrophobicContact CG2-CD1 3.68Å; I74-L78 HydrophobicContact CG2-CG 4.41Å; I74-L78 WeakPolarHBondContact O-CG 3.2Å; I74-I142 HydrophobicContact CD1-CD1 4.33Å; I74-I142 HydrophobicContact CG1-CD1 3.99Å; I74-I142 HydrophobicContact CG2-CD1 4.03Å; I74-I142 HydrophobicContact CG2-CG1 4.17Å; I74-I142 HydrophobicContact CG2-CG2 4.1Å; I74-F165 HydrophobicContact CG2-CD1 4.05Å; I74-A168 HydrophobicContact CD1-CB 3.92Å |
| 75 | M | 97.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 4% | 0.044 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -26.5 | -173.9 | -67.6 | -172.6 | 76.5 | 0 | 0 | 114.2 | E71 L72 G77 L78 V84 L86 M98 V100 F165 R364 | E71-M75 HydrophobicContact CG-SD 4.13Å; E71-M75 WeakPolarHBondContact O-CG 3.33Å; E71-M75 PolarHBondContact O-N 3.11Å; L72-M75 PolarHBondContact O-N 3.06Å; M75-G77 VanDerWaalsContact C-N 3.28Å; M75-G77 PolarHBondContact O-N 3.15Å; M75-L78 PolarHBondContact O-N 3.14Å; M75-V84 WeakPolarHBondContact CE-O 3.36Å; M75-L86 HydrophobicContact CB-CB 3.88Å; M75-L86 HydrophobicContact CB-CD2 4.06Å; M75-L86 HydrophobicContact CE-CB 4.22Å; M75-M98 HydrophobicContact CE-CE 4.34Å; M75-M98 HydrophobicContact SD-CE 3.22Å; M75-M98 WeakPolarHBondContact SD-CE 3.37Å; M75-V100 HydrophobicContact CE-CG1 4Å; M75-F165 HydrophobicContact CE-CD2 4.39Å; M75-F165 HydrophobicContact CG-CB 4.23Å; M75-F165 HydrophobicContact CG-CD2 4.14Å; M75-F165 HydrophobicContact CG-CG 4.27Å; M75-F165 HydrophobicContact SD-CB 4.49Å; M75-F165 HydrophobicContact SD-CD2 4.29Å; M75-R364 PolarHBondContact O-NH2 3.21Å |
| 76 | Q | 96.8 | Very high | 96.6 | Very high | 49 Ų | 49 | 38.2 Ų | 38.2 | 23% | 0.229 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -35.6 | 173.3 | -75.4 | 173.1 | -2.7 | 0 | 0 | 112.4 | L72 I74 L86 F362 | L72-Q76 WeakPolarHBondContact O-CB 3.45Å; L72-Q76 WeakPolarHBondContact O-CG 3.32Å; L72-Q76 PolarHBondContact O-N 3.44Å; I74-Q76 VanDerWaalsContact C-N 3.28Å; I74-Q76 PolarHBondContact O-N 3.01Å; Q76-L86 HydrophobicContact CG-CD2 3.85Å; Q76-F362 HydrophobicContact CB-CD2 4.14Å; Q76-F362 HydrophobicContact CB-CE2 4.06Å; Q76-F362 HydrophobicContact CB-CZ 4.42Å; Q76-F362 HydrophobicContact CG-CB 4.02Å; Q76-F362 HydrophobicContact CG-CD1 4.13Å; Q76-F362 HydrophobicContact CG-CD2 3.62Å; Q76-F362 HydrophobicContact CG-CE1 4.49Å; Q76-F362 HydrophobicContact CG-CE2 4.03Å; Q76-F362 HydrophobicContact CG-CG 3.67Å; Q76-F362 HydrophobicContact CG-CZ 4.43Å |
| 77 | G | 96.1 | Very high | 96.9 | Very high | 49 Ų | 49 | 30.5 Ų | 30.5 | 51% | 0.505 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I74 M75 | I74-G77 PolarHBondContact O-N 3.42Å; I74-G77 VanDerWaalsContact O-N 3.08Å; M75-G77 VanDerWaalsContact C-N 3.28Å; M75-G77 PolarHBondContact O-N 3.15Å |
| 78 | L | 98.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | trans | -105.1 | 139.6 | -175.7 | -60.3 | 177.7 | 0 | 0 | 0 | 111.9 | I74 M75 L83 Y136 L137 Q140 I142 F165 R364 | I74-L78 HydrophobicContact CG2-CD1 3.68Å; I74-L78 HydrophobicContact CG2-CG 4.41Å; I74-L78 WeakPolarHBondContact O-CG 3.2Å; M75-L78 PolarHBondContact O-N 3.14Å; L78-L83 HydrophobicContact CB-CD1 4.27Å; L78-L83 HydrophobicContact CD1-CD1 4.4Å; L78-Y136 WeakPolarHBondContact CA-OH 3.38Å; L78-Y136 HydrophobicContact CB-CE1 4.27Å; L78-Y136 HydrophobicContact CD2-CE1 3.74Å; L78-L137 HydrophobicContact CD1-CD2 3.59Å; L78-L137 HydrophobicContact CD2-CD2 3.99Å; L78-L137 HydrophobicContact CG-CD2 4.42Å; L78-Q140 HydrophobicContact CD2-CB 3.78Å; L78-Q140 HydrophobicContact CD2-CG 3.76Å; L78-I142 HydrophobicContact CD2-CG1 4.36Å; L78-F165 HydrophobicContact CD1-CD1 4.29Å; L78-F165 HydrophobicContact CD1-CE1 3.75Å; L78-F165 HydrophobicContact CD1-CZ 4.02Å; L78-R364 PolarHBondContact O-NH1 3.35Å; L78-R364 PolarHBondContact O-NH2 3.43Å | ||
| 79 | E | 97.9 | Very high | 97.3 | Very high | 84 Ų | 84 | 27 Ų | 27 | 39% | 0.393 | 14% | 0.141 | S | C | . | . | trans | -154.1 | 115 | 168.5 | -167.7 | 164.8 | 169.8 | 0 | 0 | 110.3 | N85 Y136 R364 K368 | E79-N85 VanDerWaalsContact CA-OD1 3.32Å; E79-N85 WeakPolarHBondContact CA-OD1 3.3Å; E79-Y136 PolarHBondContact N-OH 2.92Å; E79-Y136 PolarHBondContact O-OH 2.85Å; E79-R364 IonicContact OE2-CZ 3.77Å; E79-R364 IonicContact OE2-NH1 3.42Å; E79-R364 PolarHBondContact OE2-NH1 2.83Å; E79-K368 WeakPolarHBondContact OE1-CE 3.31Å; E79-K368 IonicContact OE1-NZ 3.82Å; E79-K368 PolarHBondContact OE1-NZ 3.12Å; E79-K368 IonicContact OE2-NZ 3.64Å | ||
| 80 | H | 98.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 7% | 0.069 | 13% | 0.134 | C | C | . | . | trans | -156.6 | 145.2 | -179.2 | -172 | -94.5 | 0 | 0 | 0 | 111.5 | F82 L83 N85 A133 Y136 F290 | H80-F82 AromaticContact CE1-CD2 3.69Å; H80-F82 PolarHBondContact ND1-N 2.86Å; H80-F82 PolarHBondContact O-N 3.21Å; H80-F82 VanDerWaalsContact O-N 3.13Å; H80-L83 HydrophobicContact CB-CB 4.26Å; H80-L83 HydrophobicContact CB-CD1 3.79Å; H80-L83 HydrophobicContact CB-CG 3.79Å; H80-L83 PolarHBondContact O-N 2.59Å; H80-L83 VanDerWaalsContact O-N 3.12Å; H80-N85 PolarHBondContact N-OD1 3Å; H80-N85 PolarHBondContact O-ND2 3.04Å; H80-N85 VanDerWaalsContact O-ND2 3.16Å; H80-N85 PolarHBondContact O-OD1 3.16Å; H80-A133 PolarHBondContact CE1-N 2.81Å; H80-Y136 HydrophobicContact CB-CD1 3.64Å; H80-Y136 HydrophobicContact CB-CE1 3.78Å; H80-Y136 HydrophobicContact CB-CG 4.17Å; H80-Y136 AromaticContact CD2-CD1 3.99Å; H80-Y136 AromaticContact CD2-CG 3.64Å; H80-Y136 AromaticContact CG-CD1 3.9Å; H80-F290 AromaticContact NE2-CE2 3.87Å | ||
| 81 | P | 98.4 | Very high | 97.4 | Very high | 35 Ų | 35 | 23.4 Ų | 23.4 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.3 | -175.7 | 21.7 | -35.4 | 0 | 0 | 0 | 115.1 | H161 F290 K292 | P81-H161 PolarHBondContact O-CD2 3.38Å; P81-H161 PolarHBondContact O-NE2 3.36Å; P81-H161 VanDerWaalsContact O-NE2 3.08Å; P81-F290 HydrophobicContact CG-CD2 3.76Å; P81-F290 HydrophobicContact CG-CE2 3.56Å; P81-F290 HydrophobicContact CG-CG 4.36Å; P81-F290 HydrophobicContact CG-CZ 3.98Å; P81-K292 WeakPolarHBondContact O-CE 3.34Å; P81-K292 PolarHBondContact O-NZ 2.59Å |
| 82 | F | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 22.5 | -179.5 | -55.4 | -56.4 | 0 | 0 | 0 | 112.9 | H80 E129 M132 A133 H159 V160 H161 I162 V289 K292 | H80-F82 AromaticContact CE1-CD2 3.69Å; H80-F82 PolarHBondContact ND1-N 2.86Å; H80-F82 PolarHBondContact O-N 3.21Å; H80-F82 VanDerWaalsContact O-N 3.13Å; F82-E129 HydrophobicContact CD1-CB 3.79Å; F82-E129 HydrophobicContact CD1-CG 4.04Å; F82-E129 HydrophobicContact CD2-CB 4.01Å; F82-E129 VanDerWaalsContact CD2-O 3.23Å; F82-E129 WeakPolarHBondContact CD2-O 3.34Å; F82-E129 HydrophobicContact CE1-CB 3.78Å; F82-E129 HydrophobicContact CE1-CG 3.5Å; F82-E129 VanDerWaalsContact CE1-CG 3.5Å; F82-E129 HydrophobicContact CE2-CB 4.03Å; F82-E129 HydrophobicContact CE2-CG 4.07Å; F82-E129 HydrophobicContact CG-CB 3.9Å; F82-E129 HydrophobicContact CZ-CB 3.9Å; F82-E129 HydrophobicContact CZ-CG 3.52Å; F82-M132 HydrophobicContact CD2-CB 4.31Å; F82-M132 HydrophobicContact CE2-SD 4.21Å; F82-A133 HydrophobicContact CB-CB 4.02Å; F82-H159 HydrophobicContact CE1-CB 4.42Å; F82-V160 WeakPolarHBondContact CD1-O 3.32Å; F82-H161 VanDerWaalsContact O-CA 3.3Å; F82-H161 WeakPolarHBondContact O-CA 3.13Å; F82-I162 PolarHBondContact O-N 3.34Å; F82-V289 HydrophobicContact CE2-CG1 3.95Å; F82-V289 HydrophobicContact CZ-CG1 3.99Å; F82-V289 VanDerWaalsContact CZ-O 3.22Å; F82-V289 WeakPolarHBondContact CZ-O 3.46Å; F82-K292 HydrophobicContact CE1-CG 3.89Å; F82-K292 HydrophobicContact CZ-CG 4.22Å |
| 83 | L | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -115.4 | 151.1 | 167.3 | -64.1 | -176.3 | 0 | 0 | 0 | 109.2 | L78 H80 N85 A133 Y136 L137 I162 F165 | L78-L83 HydrophobicContact CB-CD1 4.27Å; L78-L83 HydrophobicContact CD1-CD1 4.4Å; H80-L83 HydrophobicContact CB-CB 4.26Å; H80-L83 HydrophobicContact CB-CD1 3.79Å; H80-L83 HydrophobicContact CB-CG 3.79Å; H80-L83 PolarHBondContact O-N 2.59Å; H80-L83 VanDerWaalsContact O-N 3.12Å; L83-N85 PolarHBondContact O-N 3.08Å; L83-N85 PolarHBondContact O-ND2 2.98Å; L83-A133 HydrophobicContact CD2-CB 4.01Å; L83-Y136 HydrophobicContact CD1-CD1 3.85Å; L83-Y136 HydrophobicContact CD1-CE1 3.78Å; L83-L137 HydrophobicContact CD1-CD2 3.93Å; L83-L137 HydrophobicContact CD2-CD1 4.4Å; L83-I162 HydrophobicContact CD2-CB 3.67Å; L83-I162 HydrophobicContact CD2-CD1 4.09Å; L83-I162 HydrophobicContact CD2-CG1 4.19Å; L83-I162 HydrophobicContact CD2-CG2 4.42Å; L83-F165 HydrophobicContact CD1-CZ 4.37Å; L83-F165 HydrophobicContact CD2-CZ 4.01Å |
| 84 | V | 98.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | trans | -76.3 | 106.4 | 163 | 173 | 0 | 0 | 0 | 0 | 108.1 | M75 V100 D101 L103 L153 H161 I162 | M75-V84 WeakPolarHBondContact CE-O 3.36Å; V84-V100 HydrophobicContact CG1-CB 3.67Å; V84-V100 HydrophobicContact CG1-CG1 4.47Å; V84-V100 HydrophobicContact CG1-CG2 3.58Å; V84-D101 HydrophobicContact CG1-CB 4.34Å; V84-L103 HydrophobicContact CG2-CD1 3.52Å; V84-L103 HydrophobicContact CG2-CG 4.35Å; V84-L153 HydrophobicContact CG2-CD1 4.15Å; V84-H161 HydrophobicContact CG2-CB 4.05Å; V84-I162 PolarHBondContact N-O 3.28Å | ||
| 85 | N | 98.4 | Very high | 96.1 | Very high | 21 Ų | 21 | 24.4 Ų | 24.4 | 11% | 0.112 | 13% | 0.131 | C | C | . | . | trans | -86.7 | 140.1 | -171.4 | -55.2 | -77.2 | 0 | 0 | 0 | 111.5 | E79 H80 L83 V100 D101 | E79-N85 VanDerWaalsContact CA-OD1 3.32Å; E79-N85 WeakPolarHBondContact CA-OD1 3.3Å; H80-N85 PolarHBondContact N-OD1 3Å; H80-N85 PolarHBondContact O-ND2 3.04Å; H80-N85 VanDerWaalsContact O-ND2 3.16Å; H80-N85 PolarHBondContact O-OD1 3.16Å; L83-N85 PolarHBondContact O-N 3.08Å; L83-N85 PolarHBondContact O-ND2 2.98Å; N85-V100 WeakPolarHBondContact O-CA 3.36Å; N85-V100 WeakPolarHBondContact O-CB 3.19Å; N85-D101 VanDerWaalsContact CB-OD2 3.23Å; N85-D101 WeakPolarHBondContact CB-OD2 3.22Å; N85-D101 PolarHBondContact N-OD2 3.31Å; N85-D101 PolarHBondContact ND2-OD2 3.37Å; N85-D101 PolarHBondContact O-N 2.95Å; N85-D101 VanDerWaalsContact O-N 3.11Å | ||
| 86 | L | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 127.3 | 171.3 | 179 | 71 | 0 | 0 | 0 | 110.5 | L72 M75 Q76 Y88 M98 V100 F362 R364 | L72-L86 HydrophobicContact CD2-CD2 4.09Å; M75-L86 HydrophobicContact CB-CB 3.88Å; M75-L86 HydrophobicContact CB-CD2 4.06Å; M75-L86 HydrophobicContact CE-CB 4.22Å; Q76-L86 HydrophobicContact CG-CD2 3.85Å; L86-Y88 WeakPolarHBondContact CD1-O 3.46Å; L86-M98 HydrophobicContact CD1-CB 4.12Å; L86-M98 HydrophobicContact CD1-CE 4.42Å; L86-M98 HydrophobicContact CD1-CG 4.27Å; L86-V100 HydrophobicContact CD1-CG1 4.08Å; L86-F362 HydrophobicContact CD2-CD1 3.69Å; L86-F362 HydrophobicContact CD2-CE1 4.06Å; L86-F362 HydrophobicContact CD2-CG 4.42Å; L86-F362 HydrophobicContact CG-CD1 3.92Å; L86-F362 HydrophobicContact CG-CE1 4.1Å; L86-R364 PolarHBondContact O-NE 3.04Å; L86-R364 PolarHBondContact O-NH2 3.1Å |
| 87 | W | 98.1 | Very high | 95.8 | Very high | 36 Ų | 36 | 21.6 Ų | 21.6 | 14% | 0.136 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -43.7 | 174.9 | -74.5 | 84.8 | 0 | 0 | 0 | 112.7 | K47 Y49 V99 D101 R364 E365 | K47-W87 VanDerWaalsContact NZ-CZ2 3.33Å; Y49-W87 HydrophobicContact CD1-CG 4.25Å; Y49-W87 HydrophobicContact CE1-CB 4.1Å; Y49-W87 AromaticContact CE1-CD1 3.74Å; Y49-W87 AromaticContact CE1-CD2 3.93Å; Y49-W87 HydrophobicContact CE1-CD2 3.93Å; Y49-W87 AromaticContact CE1-CG 3.65Å; Y49-W87 HydrophobicContact CE1-CG 3.65Å; W87-V99 PolarHBondContact N-O 3.08Å; W87-D101 PolarHBondContact NE1-OD1 2.92Å; W87-R364 HydrophobicContact CE3-CB 4.26Å; W87-R364 WeakPolarHBondContact O-CB 3.5Å; W87-R364 PolarHBondContact O-N 3.42Å; W87-E365 HydrophobicContact CE3-CG 4.3Å; W87-E365 HydrophobicContact CZ3-CG 4.29Å |
| 88 | Y | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145 | -177.6 | -42.8 | -87.1 | 0 | 0 | 0 | 111.3 | V18 F23 K42 Y49 L86 V99 F362 N363 E365 | V18-Y88 HydrophobicContact CB-CD1 4.19Å; V18-Y88 HydrophobicContact CG1-CD1 3.93Å; V18-Y88 HydrophobicContact CG1-CE1 4.39Å; V18-Y88 HydrophobicContact CG1-CG 4.22Å; V18-Y88 HydrophobicContact CG2-CD1 4.19Å; V18-Y88 HydrophobicContact CG2-CE1 4.19Å; F23-Y88 HydrophobicContact CE1-CD2 4.39Å; F23-Y88 HydrophobicContact CE1-CE2 4.36Å; F23-Y88 AromaticContact CZ-CD2 3.78Å; F23-Y88 HydrophobicContact CZ-CD2 3.78Å; F23-Y88 AromaticContact CZ-CE2 4Å; F23-Y88 HydrophobicContact CZ-CE2 4Å; F23-Y88 HydrophobicContact CZ-CG 4.28Å; K42-Y88 HydrophobicContact CD-CE2 4.46Å; K42-Y88 WeakPolarHBondContact CD-OH 3.37Å; Y49-Y88 HydrophobicContact CE1-CE2 4.3Å; Y49-Y88 HydrophobicContact CE2-CE2 4.02Å; Y49-Y88 AromaticContact CZ-CE2 3.83Å; Y49-Y88 PolarHBondContact OH-OH 2.92Å; L86-Y88 WeakPolarHBondContact CD1-O 3.46Å; Y88-V99 HydrophobicContact CD2-CB 3.81Å; Y88-V99 HydrophobicContact CD2-CG1 3.73Å; Y88-V99 HydrophobicContact CD2-CG2 4.46Å; Y88-V99 HydrophobicContact CE2-CG1 4.38Å; Y88-V99 HydrophobicContact CG-CB 4.43Å; Y88-V99 PolarHBondContact N-O 2.78Å; Y88-V99 PolarHBondContact O-N 3.41Å; Y88-F362 CarbonylContact C-O 3.56Å; Y88-F362 VanDerWaalsContact CA-O 3.26Å; Y88-F362 WeakPolarHBondContact CA-O 3.36Å; Y88-N363 HydrophobicContact CD1-CB 4.32Å; Y88-E365 HydrophobicContact CE1-CG 4.24Å; Y88-E365 WeakPolarHBondContact CE1-OE2 2.87Å; Y88-E365 PolarHBondContact OH-OE1 2.79Å; Y88-E365 PolarHBondContact OH-OE2 2.84Å |
| 89 | S | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 133.4 | 164 | 69.5 | 0 | 0 | 0 | 0 | 110.5 | L72 F97 I360 I361 F362 | L72-S89 VanDerWaalsContact CD2-CB 3.46Å; S89-F97 VanDerWaalsContact CA-O 3.3Å; S89-F97 WeakPolarHBondContact CA-O 3.47Å; S89-I360 PolarHBondContact OG-O 2.9Å; S89-I361 WeakPolarHBondContact O-CA 3.34Å; S89-I361 WeakPolarHBondContact O-CG2 3.34Å; S89-F362 PolarHBondContact N-O 3.4Å; S89-F362 PolarHBondContact O-N 3.3Å; S89-F362 WeakPolarHBondContact OG-CB 3.4Å; S89-F362 PolarHBondContact OG-N 3.33Å |
| 90 | F | 96.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.018 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 177.1 | 178.8 | 50.9 | -96.3 | 0 | 0 | 0 | 109.1 | V18 F20 F23 M51 F97 V99 F359 | V18-F90 HydrophobicContact CG1-CD1 4.4Å; V18-F90 HydrophobicContact CG1-CE1 4.29Å; F20-F90 VanDerWaalsContact CA-CE2 3.49Å; F20-F90 HydrophobicContact CB-CE2 3.87Å; F20-F90 HydrophobicContact CD2-CE2 4.39Å; F20-F90 VanDerWaalsContact N-CE2 3.31Å; F23-F90 HydrophobicContact CD2-CE1 4.19Å; F23-F90 AromaticContact CD2-CZ 3.9Å; F23-F90 HydrophobicContact CD2-CZ 3.9Å; F23-F90 AromaticContact CE2-CE1 3.58Å; F23-F90 HydrophobicContact CE2-CE1 3.58Å; F23-F90 AromaticContact CE2-CZ 3.79Å; F23-F90 HydrophobicContact CE2-CZ 3.79Å; F23-F90 HydrophobicContact CZ-CE1 4.36Å; M51-F90 HydrophobicContact CE-CZ 3.74Å; M51-F90 HydrophobicContact SD-CZ 4.48Å; F90-F97 HydrophobicContact CD2-CB 3.71Å; F90-F97 AromaticContact CD2-CD2 3.48Å; F90-F97 HydrophobicContact CD2-CD2 3.48Å; F90-F97 VanDerWaalsContact CD2-CD2 3.48Å; F90-F97 HydrophobicContact CD2-CE2 4.33Å; F90-F97 AromaticContact CD2-CG 3.79Å; F90-F97 HydrophobicContact CD2-CG 3.79Å; F90-F97 HydrophobicContact CE1-CB 4.48Å; F90-F97 HydrophobicContact CE2-CB 3.48Å; F90-F97 VanDerWaalsContact CE2-CB 3.48Å; F90-F97 HydrophobicContact CE2-CD1 4.14Å; F90-F97 AromaticContact CE2-CD2 3.51Å; F90-F97 HydrophobicContact CE2-CD2 3.51Å; F90-F97 HydrophobicContact CE2-CE2 4.26Å; F90-F97 AromaticContact CE2-CG 3.44Å; F90-F97 HydrophobicContact CE2-CG 3.44Å; F90-F97 VanDerWaalsContact CE2-CG 3.44Å; F90-F97 HydrophobicContact CG-CB 4.3Å; F90-F97 HydrophobicContact CZ-CB 3.92Å; F90-F97 HydrophobicContact CZ-CG 4.24Å; F90-F97 PolarHBondContact N-O 2.89Å; F90-F97 WeakPolarHBondContact O-CB 3.25Å; F90-F97 PolarHBondContact O-N 2.91Å; F90-V99 HydrophobicContact CE1-CG2 3.76Å; F90-V99 HydrophobicContact CZ-CG2 4.04Å; F90-F359 VanDerWaalsContact O-CZ 3.31Å; F90-F359 WeakPolarHBondContact O-CZ 3.37Å |
| 91 | Q | 94.2 | Very high | 95.8 | Very high | 29 Ų | 29 | 16.8 Ų | 16.8 | 14% | 0.136 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 159.2 | -179.7 | 60.2 | 175.6 | -16.5 | 0 | 0 | 110.3 | D95 M96 Q356 F359 | Q91-D95 WeakPolarHBondContact CA-O 3.38Å; Q91-M96 HydrophobicContact CB-CG 4.29Å; Q91-Q356 VanDerWaalsContact NE2-CD 3.32Å; Q91-Q356 PolarHBondContact NE2-O 3.41Å; Q91-F359 HydrophobicContact CB-CD1 4.31Å; Q91-F359 HydrophobicContact CB-CD2 4.41Å; Q91-F359 HydrophobicContact CB-CE1 4.41Å; Q91-F359 HydrophobicContact CB-CE2 4.5Å; Q91-F359 HydrophobicContact CB-CG 4.33Å; Q91-F359 HydrophobicContact CB-CZ 4.49Å; Q91-F359 VanDerWaalsContact CD-CB 3.45Å; Q91-F359 HydrophobicContact CG-CB 4.41Å; Q91-F359 HydrophobicContact CG-CD1 3.93Å; Q91-F359 HydrophobicContact CG-CE1 4.41Å; Q91-F359 HydrophobicContact CG-CG 4.07Å; Q91-F359 VanDerWaalsContact NE2-CB 3.29Å |
| 92 | D | 90.8 | Very high | 95.6 | Very high | 17 Ų | 17 | 16.4 Ų | 16.4 | 9% | 0.091 | 8% | 0.08 | C | C | . | . | trans | -126.6 | -166.7 | 164.7 | 66.3 | 28.6 | 0 | 0 | 0 | 110.2 | K56 E94 D95 F97 K326 | K56-D92 VanDerWaalsContact CE-O 3.24Å; K56-D92 WeakPolarHBondContact CE-O 3.34Å; K56-D92 PolarHBondContact NZ-O 3.46Å; D92-E94 PolarHBondContact O-N 3.27Å; D92-E94 PolarHBondContact OD1-N 2.71Å; D92-D95 PolarHBondContact N-O 2.87Å; D92-D95 PolarHBondContact OD1-N 3.32Å; D92-F97 HydrophobicContact CB-CE2 4.24Å; D92-F97 WeakPolarHBondContact OD2-CE2 3.49Å; D92-F97 WeakPolarHBondContact OD2-CZ 3.43Å; D92-K326 IonicContact OD1-NZ 3.37Å; D92-K326 PolarHBondContact OD1-NZ 3.2Å; D92-K326 VanDerWaalsContact OD2-CE 3.25Å; D92-K326 WeakPolarHBondContact OD2-CE 3.2Å; D92-K326 IonicContact OD2-NZ 2.71Å; D92-K326 PolarHBondContact OD2-NZ 3.46Å | ||
| 93 | E | 86.1 | Confident | 95.4 | Very high | 112 Ų | 112 | 17.6 Ų | 17.6 | 52% | 0.523 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -64.6 | -24.7 | -176.2 | -56.1 | 74.6 | -158 | 0 | 0 | 113 | L330 | E93-L330 HydrophobicContact CB-CD2 4.36Å; E93-L330 WeakPolarHBondContact OE2-CD1 3.3Å |
| 94 | E | 88.4 | Confident | 95 | Very high | 20 Ų | 20 | 21.1 Ų | 21.1 | 9% | 0.093 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -110 | -34.8 | -173.5 | -67.5 | -172.7 | 155.1 | 0 | 0 | 113.3 | N55 K56 D92 R329 L330 K333 | N55-E94 PolarHBondContact ND2-O 3.34Å; K56-E94 WeakPolarHBondContact CB-O 3.42Å; K56-E94 PolarHBondContact N-O 3.44Å; D92-E94 PolarHBondContact O-N 3.27Å; D92-E94 PolarHBondContact OD1-N 2.71Å; E94-R329 IonicContact OE1-NE 2.81Å; E94-R329 IonicContact OE2-CZ 2.66Å; E94-R329 IonicContact OE2-NE 2.59Å; E94-R329 PolarHBondContact OE2-NE 3.37Å; E94-R329 IonicContact OE2-NH2 3.78Å; E94-R329 PolarHBondContact OE2-NH2 3.33Å; E94-L330 HydrophobicContact CG-CD2 3.76Å; E94-K333 IonicContact OE1-NZ 3.52Å; E94-K333 PolarHBondContact OE1-NZ 3.28Å |
| 95 | D | 91.6 | Very high | 94.6 | Very high | 18 Ų | 18 | 21 Ų | 21 | 10% | 0.096 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 153.5 | -168.7 | -56.6 | -55.2 | 0 | 0 | 0 | 112.8 | M54 N55 Q91 D92 F97 K326 | M54-D95 WeakPolarHBondContact O-CA 3.47Å; N55-D95 WeakPolarHBondContact CA-OD1 3.42Å; N55-D95 WeakPolarHBondContact CB-OD1 3.44Å; N55-D95 PolarHBondContact ND2-OD1 3.31Å; Q91-D95 WeakPolarHBondContact CA-O 3.38Å; D92-D95 PolarHBondContact N-O 2.87Å; D92-D95 PolarHBondContact OD1-N 3.32Å; D95-F97 HydrophobicContact CB-CE1 4.25Å; D95-F97 HydrophobicContact CB-CE2 4.02Å; D95-F97 HydrophobicContact CB-CZ 3.75Å; D95-F97 WeakPolarHBondContact O-CE2 2.92Å; D95-K326 WeakPolarHBondContact OD2-CE 3.27Å; D95-K326 IonicContact OD2-NZ 3.7Å; D95-K326 PolarHBondContact OD2-NZ 3.16Å |
| 96 | M | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 145.4 | 164.3 | -64.5 | 172.8 | -69.7 | 0 | 0 | 109.3 | Y53 M54 K56 C59 V68 F69 Q91 V355 F359 | Y53-M96 WeakPolarHBondContact CA-O 3.49Å; M54-M96 HydrophobicContact CB-CB 4.44Å; M54-M96 HydrophobicContact CB-CE 4.35Å; M54-M96 HydrophobicContact CE-CB 4.18Å; M54-M96 PolarHBondContact N-O 3.08Å; M54-M96 PolarHBondContact O-N 2.95Å; K56-M96 HydrophobicContact CG-CE 4.4Å; K56-M96 HydrophobicContact CG-CG 3.96Å; C59-M96 HydrophobicContact CB-CE 4.16Å; V68-M96 HydrophobicContact CB-CE 4.4Å; V68-M96 HydrophobicContact CG1-CE 3.94Å; V68-M96 HydrophobicContact CG1-SD 4.15Å; V68-M96 HydrophobicContact CG2-CE 4.47Å; F69-M96 HydrophobicContact CD1-SD 4.44Å; F69-M96 HydrophobicContact CE1-SD 3.71Å; Q91-M96 HydrophobicContact CB-CG 4.29Å; M96-V355 HydrophobicContact CG-CG1 4.47Å; M96-V355 HydrophobicContact SD-CG1 3.77Å; M96-F359 HydrophobicContact CB-CD2 4.43Å; M96-F359 HydrophobicContact CB-CE2 3.86Å; M96-F359 HydrophobicContact CG-CD2 3.87Å; M96-F359 HydrophobicContact CG-CE2 3.81Å; M96-F359 HydrophobicContact SD-CD2 3.89Å; M96-F359 HydrophobicContact SD-CE2 4.09Å |
| 97 | F | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137 | -172.5 | -58.6 | -86.9 | 0 | 0 | 0 | 111.9 | F20 M51 K52 Y53 S89 F90 D92 D95 | F20-F97 HydrophobicContact CD2-CD1 4.08Å; F20-F97 AromaticContact CD2-CE1 3.46Å; F20-F97 HydrophobicContact CD2-CE1 3.46Å; F20-F97 VanDerWaalsContact CD2-CE1 3.46Å; F20-F97 HydrophobicContact CD2-CE2 4.26Å; F20-F97 AromaticContact CD2-CZ 3.55Å; F20-F97 HydrophobicContact CD2-CZ 3.55Å; F20-F97 HydrophobicContact CE2-CD1 4.46Å; F20-F97 AromaticContact CE2-CE1 3.66Å; F20-F97 HydrophobicContact CE2-CE1 3.66Å; F20-F97 HydrophobicContact CE2-CZ 4.01Å; F20-F97 HydrophobicContact CG-CZ 4.27Å; M51-F97 HydrophobicContact CG-CD1 4.15Å; M51-F97 HydrophobicContact SD-CD1 3.59Å; M51-F97 VanDerWaalsContact SD-CD1 3.59Å; M51-F97 HydrophobicContact SD-CE1 4.17Å; M51-F97 HydrophobicContact SD-CG 4.44Å; K52-F97 WeakPolarHBondContact O-CA 3.18Å; Y53-F97 AromaticContact CD1-CD1 3.76Å; Y53-F97 HydrophobicContact CD1-CD1 3.76Å; Y53-F97 AromaticContact CD1-CE1 3.74Å; Y53-F97 HydrophobicContact CD1-CE1 3.74Å; Y53-F97 HydrophobicContact CG-CE1 4.4Å; S89-F97 VanDerWaalsContact CA-O 3.3Å; S89-F97 WeakPolarHBondContact CA-O 3.47Å; F90-F97 HydrophobicContact CD2-CB 3.71Å; F90-F97 AromaticContact CD2-CD2 3.48Å; F90-F97 HydrophobicContact CD2-CD2 3.48Å; F90-F97 VanDerWaalsContact CD2-CD2 3.48Å; F90-F97 HydrophobicContact CD2-CE2 4.33Å; F90-F97 AromaticContact CD2-CG 3.79Å; F90-F97 HydrophobicContact CD2-CG 3.79Å; F90-F97 HydrophobicContact CE1-CB 4.48Å; F90-F97 HydrophobicContact CE2-CB 3.48Å; F90-F97 VanDerWaalsContact CE2-CB 3.48Å; F90-F97 HydrophobicContact CE2-CD1 4.14Å; F90-F97 AromaticContact CE2-CD2 3.51Å; F90-F97 HydrophobicContact CE2-CD2 3.51Å; F90-F97 HydrophobicContact CE2-CE2 4.26Å; F90-F97 AromaticContact CE2-CG 3.44Å; F90-F97 HydrophobicContact CE2-CG 3.44Å; F90-F97 VanDerWaalsContact CE2-CG 3.44Å; F90-F97 HydrophobicContact CG-CB 4.3Å; F90-F97 HydrophobicContact CZ-CB 3.92Å; F90-F97 HydrophobicContact CZ-CG 4.24Å; F90-F97 PolarHBondContact N-O 2.89Å; F90-F97 WeakPolarHBondContact O-CB 3.25Å; F90-F97 PolarHBondContact O-N 2.91Å; D92-F97 HydrophobicContact CB-CE2 4.24Å; D92-F97 WeakPolarHBondContact OD2-CE2 3.49Å; D92-F97 WeakPolarHBondContact OD2-CZ 3.43Å; D95-F97 HydrophobicContact CB-CE1 4.25Å; D95-F97 HydrophobicContact CB-CE2 4.02Å; D95-F97 HydrophobicContact CB-CZ 3.75Å; D95-F97 WeakPolarHBondContact O-CE2 2.92Å |
| 98 | M | 96.6 | Very high | 94 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 122 | 168.1 | -74 | 168.6 | 74.9 | 0 | 0 | 108.8 | M51 K52 M54 E71 L72 M75 L86 | M51-M98 CarbonylContact C-O 3.58Å; M51-M98 VanDerWaalsContact CA-O 3.31Å; M51-M98 WeakPolarHBondContact CA-O 3.21Å; K52-M98 HydrophobicContact CB-CB 4.28Å; K52-M98 HydrophobicContact CD-SD 4.34Å; K52-M98 PolarHBondContact N-O 3.45Å; K52-M98 PolarHBondContact O-N 3.26Å; M54-M98 HydrophobicContact CE-CB 4.33Å; M54-M98 HydrophobicContact CE-CG 3.69Å; M54-M98 HydrophobicContact CE-SD 3.6Å; M54-M98 HydrophobicContact SD-SD 4.09Å; E71-M98 HydrophobicContact CG-CE 4.09Å; L72-M98 HydrophobicContact CD2-CE 4.17Å; L72-M98 HydrophobicContact CD2-CG 3.43Å; L72-M98 VanDerWaalsContact CD2-CG 3.43Å; L72-M98 HydrophobicContact CD2-SD 3.93Å; L72-M98 HydrophobicContact CG-CG 4.15Å; L72-M98 HydrophobicContact CG-SD 4.1Å; M75-M98 HydrophobicContact CE-CE 4.34Å; M75-M98 HydrophobicContact SD-CE 3.22Å; M75-M98 WeakPolarHBondContact SD-CE 3.37Å; L86-M98 HydrophobicContact CD1-CB 4.12Å; L86-M98 HydrophobicContact CD1-CE 4.42Å; L86-M98 HydrophobicContact CD1-CG 4.27Å |
| 99 | V | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 117.5 | 176.7 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | F23 V40 Y49 A50 M51 W87 Y88 F90 | F23-V99 HydrophobicContact CE1-CG1 4.02Å; F23-V99 HydrophobicContact CE1-CG2 4.48Å; F23-V99 HydrophobicContact CE2-CG2 4.42Å; F23-V99 HydrophobicContact CZ-CG1 4.25Å; F23-V99 HydrophobicContact CZ-CG2 4.16Å; V40-V99 HydrophobicContact CG2-CG1 4.48Å; Y49-V99 VanDerWaalsContact CB-CG1 3.4Å; Y49-V99 HydrophobicContact CD1-CG1 4.05Å; Y49-V99 HydrophobicContact CD2-CG1 4.15Å; Y49-V99 HydrophobicContact CG-CG1 3.62Å; A50-V99 WeakPolarHBondContact O-CA 3.47Å; M51-V99 HydrophobicContact CB-CG2 4.4Å; M51-V99 HydrophobicContact CE-CG2 3.72Å; M51-V99 HydrophobicContact CG-CG2 4.03Å; W87-V99 PolarHBondContact N-O 3.08Å; Y88-V99 HydrophobicContact CD2-CB 3.81Å; Y88-V99 HydrophobicContact CD2-CG1 3.73Å; Y88-V99 HydrophobicContact CD2-CG2 4.46Å; Y88-V99 HydrophobicContact CE2-CG1 4.38Å; Y88-V99 HydrophobicContact CG-CB 4.43Å; Y88-V99 PolarHBondContact N-O 2.78Å; Y88-V99 PolarHBondContact O-N 3.41Å; F90-V99 HydrophobicContact CE1-CG2 3.76Å; F90-V99 HydrophobicContact CZ-CG2 4.04Å |
| 100 | V | 97.9 | Very high | 93.6 | Very high | 18 Ų | 18 | 23.7 Ų | 23.7 | 11% | 0.109 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 172.1 | -171.6 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | Y49 A50 M75 V84 N85 L86 L102 | Y49-V100 WeakPolarHBondContact CB-O 3.12Å; A50-V100 HydrophobicContact CB-CG2 3.94Å; A50-V100 PolarHBondContact N-O 2.91Å; A50-V100 PolarHBondContact O-N 3.31Å; M75-V100 HydrophobicContact CE-CG1 4Å; V84-V100 HydrophobicContact CG1-CB 3.67Å; V84-V100 HydrophobicContact CG1-CG1 4.47Å; V84-V100 HydrophobicContact CG1-CG2 3.58Å; N85-V100 WeakPolarHBondContact O-CA 3.36Å; N85-V100 WeakPolarHBondContact O-CB 3.19Å; L86-V100 HydrophobicContact CD1-CG1 4.08Å; V100-L102 PolarHBondContact O-N 3.18Å |
| 101 | D | 97.4 | Very high | 93.4 | Very high | 34 Ų | 34 | 23.8 Ų | 23.8 | 18% | 0.182 | 12% | 0.12 | C | C | . | . | trans | -50.5 | 135.3 | 172.6 | -67.8 | -40 | 0 | 0 | 0 | 111.9 | V84 N85 W87 | V84-D101 HydrophobicContact CG1-CB 4.34Å; N85-D101 VanDerWaalsContact CB-OD2 3.23Å; N85-D101 WeakPolarHBondContact CB-OD2 3.22Å; N85-D101 PolarHBondContact N-OD2 3.31Å; N85-D101 PolarHBondContact ND2-OD2 3.37Å; N85-D101 PolarHBondContact O-N 2.95Å; N85-D101 VanDerWaalsContact O-N 3.11Å; W87-D101 PolarHBondContact NE1-OD1 2.92Å | ||
| 102 | L | 95.4 | Very high | 93.3 | Very high | 27 Ų | 27 | 23.4 Ų | 23.4 | 14% | 0.141 | 12% | 0.118 | C | C | . | . | trans | -90.2 | 119.6 | 172.6 | 177.9 | 60.8 | 0 | 0 | 0 | 110.1 | I29 I39 M48 A50 V100 L104 | I29-L102 HydrophobicContact CD1-CD1 4.09Å; I39-L102 HydrophobicContact CD1-CD1 4.41Å; I39-L102 HydrophobicContact CG1-CD1 3.86Å; I39-L102 HydrophobicContact CG1-CD2 4.39Å; I39-L102 HydrophobicContact CG2-CD2 3.87Å; M48-L102 HydrophobicContact CB-CD2 3.74Å; M48-L102 HydrophobicContact CE-CD2 4.37Å; A50-L102 HydrophobicContact CB-CD1 4.17Å; V100-L102 PolarHBondContact O-N 3.18Å; L102-L104 HydrophobicContact CD1-CD2 4.08Å; L102-L104 HydrophobicContact CD2-CD2 3.9Å; L102-L104 HydrophobicContact CD2-CG 4.45Å; L102-L104 HydrophobicContact CG-CD2 3.89Å; L102-L104 HydrophobicContact CG-CG 4.26Å | ||
| 103 | L | 93.9 | Very high | 93.4 | Very high | 24 Ų | 24 | 28.5 Ų | 28.5 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | trans | -115.3 | 111.5 | 177.1 | -60.9 | -174.6 | 0 | 0 | 0 | 110.2 | V84 L153 L154 D155 H161 | V84-L103 HydrophobicContact CG2-CD1 3.52Å; V84-L103 HydrophobicContact CG2-CG 4.35Å; L103-L153 HydrophobicContact CB-CB 4.01Å; L103-L153 HydrophobicContact CB-CD1 4.19Å; L103-L153 HydrophobicContact CD1-CB 3.55Å; L103-L153 HydrophobicContact CD1-CD1 4.17Å; L103-L153 HydrophobicContact CD1-CG 4.45Å; L103-L153 HydrophobicContact CG-CB 4.43Å; L103-L154 WeakPolarHBondContact CB-O 3.5Å; L103-D155 HydrophobicContact CD2-CB 3.83Å; L103-H161 HydrophobicContact CD1-CB 3.42Å; L103-H161 VanDerWaalsContact CD1-CB 3.42Å; L103-H161 VanDerWaalsContact CD1-CG 3.44Å | ||
| 104 | L | 88.9 | Confident | 93.6 | Very high | 76 Ų | 76 | 28.4 Ų | 28.4 | 40% | 0.398 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -11.1 | -170.9 | -64.3 | 175.5 | 0 | 0 | 0 | 113.8 | I39 L102 G106 L305 | I39-L104 HydrophobicContact CD1-CD2 4.42Å; L102-L104 HydrophobicContact CD1-CD2 4.08Å; L102-L104 HydrophobicContact CD2-CD2 3.9Å; L102-L104 HydrophobicContact CD2-CG 4.45Å; L102-L104 HydrophobicContact CG-CD2 3.89Å; L102-L104 HydrophobicContact CG-CG 4.26Å; L104-G106 PolarHBondContact O-N 2.96Å; L104-L305 HydrophobicContact CD2-CD2 3.97Å |
| 105 | G | 91.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -8.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H111 L154 N306 | G105-H111 PolarHBondContact O-NE2 3.1Å; G105-L154 WeakPolarHBondContact CA-O 3.4Å; G105-L154 PolarHBondContact N-O 2.72Å; G105-N306 WeakPolarHBondContact O-CB 3.44Å |
| 106 | G | 91.5 | Very high | 93.6 | Very high | 10 Ų | 10 | 35 Ų | 35 | 10% | 0.103 | 18% | 0.178 | C | C | . | . | trans | 74.6 | 178.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L104 L153 L154 N306 | L104-G106 PolarHBondContact O-N 2.96Å; G106-L153 CarbonylContact O-C 3.53Å; G106-L153 WeakPolarHBondContact O-CA 3.16Å; G106-L154 PolarHBondContact O-N 2.8Å; G106-N306 WeakPolarHBondContact CA-O 3.47Å | ||
| 107 | D | 93.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 46 Ų | 46 | 21% | 0.209 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -84 | 154.9 | 176.4 | 62.7 | 82.6 | 0 | 0 | 0 | 112.4 | R109 Y110 H111 I152 L153 | D107-R109 PolarHBondContact O-N 3.08Å; D107-R109 WeakPolarHBondContact OD1-CA 3.25Å; D107-R109 WeakPolarHBondContact OD1-CB 3.43Å; D107-R109 PolarHBondContact OD1-N 3.14Å; D107-Y110 WeakPolarHBondContact O-CB 3.31Å; D107-Y110 PolarHBondContact O-N 2.9Å; D107-Y110 PolarHBondContact OD1-N 2.79Å; D107-H111 PolarHBondContact O-CD2 2.98Å; D107-I152 CarbonylContact C-O 3.53Å; D107-I152 WeakPolarHBondContact CA-O 3.31Å; D107-L153 HydrophobicContact CB-CD2 3.58Å |
| 108 | L | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.6 | -23.7 | 178.8 | -68.6 | -178 | 0 | 0 | 0 | 112.9 | H111 L112 F118 F126 P149 I152 L154 V160 L216 | L108-H111 PolarHBondContact O-N 3.04Å; L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 2.68Å; L108-L112 VanDerWaalsContact O-N 3.08Å; L108-F118 HydrophobicContact CD2-CE1 4.47Å; L108-F118 HydrophobicContact CD2-CZ 4.08Å; L108-F126 HydrophobicContact CD2-CE2 4.09Å; L108-P149 HydrophobicContact CB-CB 3.87Å; L108-P149 WeakPolarHBondContact CB-O 3.47Å; L108-P149 PolarHBondContact N-O 3.18Å; L108-P149 VanDerWaalsContact N-O 3.09Å; L108-I152 HydrophobicContact CD1-CB 3.83Å; L108-I152 HydrophobicContact CD1-CD1 4.35Å; L108-I152 HydrophobicContact CD1-CG2 3.48Å; L108-I152 VanDerWaalsContact CD1-CG2 3.48Å; L108-I152 HydrophobicContact CG-CB 4.17Å; L108-I152 HydrophobicContact CG-CG2 3.95Å; L108-I152 PolarHBondContact N-O 2.86Å; L108-L154 HydrophobicContact CD2-CD1 3.74Å; L108-L154 HydrophobicContact CD2-CD2 4.11Å; L108-L154 HydrophobicContact CD2-CG 3.89Å; L108-V160 HydrophobicContact CD1-CG1 4.18Å; L108-V160 HydrophobicContact CD2-CG1 4.47Å; L108-L216 HydrophobicContact CB-CD2 4.17Å; L108-L216 HydrophobicContact CD1-CD1 3.9Å; L108-L216 HydrophobicContact CD1-CD2 4.09Å |
| 109 | R | 94.9 | Very high | 93.2 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.3 | 168.3 | 66.5 | 62.8 | -149.5 | -8.9 | 110.8 | D107 H111 L112 Q113 P149 D150 Y186 E215 | D107-R109 PolarHBondContact O-N 3.08Å; D107-R109 WeakPolarHBondContact OD1-CA 3.25Å; D107-R109 WeakPolarHBondContact OD1-CB 3.43Å; D107-R109 PolarHBondContact OD1-N 3.14Å; R109-H111 VanDerWaalsContact C-N 3.29Å; R109-H111 PolarHBondContact O-N 3.43Å; R109-L112 WeakPolarHBondContact O-CB 3.49Å; R109-L112 PolarHBondContact O-N 2.77Å; R109-Q113 HydrophobicContact CG-CG 4.4Å; R109-Q113 WeakPolarHBondContact O-CG 3.46Å; R109-Q113 PolarHBondContact O-N 2.93Å; R109-P149 HydrophobicContact CB-CB 4.04Å; R109-P149 PolarHBondContact N-O 3.4Å; R109-D150 HydrophobicContact CB-CB 4.23Å; R109-D150 WeakPolarHBondContact CG-OD1 3.4Å; R109-D150 IonicContact CZ-OD2 3.63Å; R109-D150 IonicContact NE-OD1 3.65Å; R109-D150 PolarHBondContact NE-OD1 2.71Å; R109-D150 IonicContact NE-OD2 3.63Å; R109-D150 PolarHBondContact NE-OD2 2.97Å; R109-D150 IonicContact NH2-OD2 3.65Å; R109-D150 PolarHBondContact NH2-OD2 3.31Å; R109-Y186 PolarHBondContact NH2-OH 2.8Å; R109-E215 IonicContact CZ-OE1 3.41Å; R109-E215 IonicContact NH1-OE1 3.7Å; R109-E215 PolarHBondContact NH1-OE1 3.16Å; R109-E215 IonicContact NH2-OE1 2.72Å; R109-E215 IonicContact NH2-OE2 2.91Å |
| 110 | Y | 91.9 | Very high | 93.2 | Very high | 26 Ų | 26 | 55.6 Ų | 55.6 | 10% | 0.102 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.2 | -48.3 | 176.3 | 174.8 | -94.8 | 0 | 0 | 0 | 110.6 | D107 L112 Q113 Q114 N306 | D107-Y110 WeakPolarHBondContact O-CB 3.31Å; D107-Y110 PolarHBondContact O-N 2.9Å; D107-Y110 PolarHBondContact OD1-N 2.79Å; Y110-L112 PolarHBondContact O-N 2.8Å; Y110-Q113 WeakPolarHBondContact O-CB 3.23Å; Y110-Q113 PolarHBondContact O-N 3.33Å; Y110-Q113 VanDerWaalsContact O-N 3.12Å; Y110-Q114 HydrophobicContact CD1-CG 4.31Å; Y110-Q114 HydrophobicContact CE1-CG 3.89Å; Y110-Q114 HydrophobicContact CE2-CG 4.44Å; Y110-Q114 WeakPolarHBondContact O-CG 3.46Å; Y110-Q114 PolarHBondContact O-N 2.92Å; Y110-N306 HydrophobicContact CD1-CB 3.85Å; Y110-N306 WeakPolarHBondContact CD1-O 3.37Å; Y110-N306 HydrophobicContact CE1-CB 3.73Å |
| 111 | H | 93.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 3% | 0.032 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 179.5 | -66.5 | -67.4 | 0 | 0 | 0 | 112.7 | G105 D107 L108 R109 Q113 Q114 N115 V116 F118 F298 | G105-H111 PolarHBondContact O-NE2 3.1Å; D107-H111 PolarHBondContact O-CD2 2.98Å; L108-H111 PolarHBondContact O-N 3.04Å; R109-H111 VanDerWaalsContact C-N 3.29Å; R109-H111 PolarHBondContact O-N 3.43Å; H111-Q113 VanDerWaalsContact C-N 3.33Å; H111-Q113 PolarHBondContact O-N 3.27Å; H111-Q114 PolarHBondContact O-N 3.02Å; H111-N115 PolarHBondContact O-N 3.32Å; H111-V116 HydrophobicContact CB-CB 4.18Å; H111-V116 HydrophobicContact CB-CG2 4.08Å; H111-V116 VanDerWaalsContact O-CB 3.26Å; H111-V116 WeakPolarHBondContact O-CB 3.49Å; H111-V116 VanDerWaalsContact O-CG2 3.31Å; H111-V116 WeakPolarHBondContact O-CG2 3.44Å; H111-V116 PolarHBondContact O-N 3.38Å; H111-F118 HydrophobicContact CB-CE2 4.24Å; H111-F118 HydrophobicContact CB-CZ 3.77Å; H111-F298 AromaticContact CE1-CE1 3.79Å; H111-F298 AromaticContact CE1-CZ 3.75Å; H111-F298 AromaticContact ND1-CE1 3.75Å; H111-F298 AromaticContact ND1-CZ 3.41Å; H111-F298 WeakPolarHBondContact ND1-CZ 3.4Å |
| 112 | L | 93.1 | Very high | 93.2 | Very high | 21 Ų | 21 | 60.2 Ų | 60.2 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 172.2 | -77 | 172.7 | 0 | 0 | 0 | 112.3 | L108 R109 Y110 Q114 N115 P149 E215 L216 | L108-L112 WeakPolarHBondContact O-CG 3.41Å; L108-L112 PolarHBondContact O-N 2.68Å; L108-L112 VanDerWaalsContact O-N 3.08Å; R109-L112 WeakPolarHBondContact O-CB 3.49Å; R109-L112 PolarHBondContact O-N 2.77Å; Y110-L112 PolarHBondContact O-N 2.8Å; L112-Q114 VanDerWaalsContact C-N 3.29Å; L112-Q114 PolarHBondContact O-N 3.22Å; L112-N115 WeakPolarHBondContact O-CA 3.47Å; L112-N115 PolarHBondContact O-N 3.38Å; L112-P149 HydrophobicContact CD1-CB 3.89Å; L112-P149 HydrophobicContact CD1-CG 3.74Å; L112-E215 HydrophobicContact CD1-CG 3.91Å; L112-L216 HydrophobicContact CD1-CD2 4.16Å; L112-L216 HydrophobicContact CD2-CD2 4.3Å; L112-L216 HydrophobicContact CG-CD2 4.16Å |
| 113 | Q | 92 | Very high | 93.3 | Very high | 124 Ų | 124 | 58.9 Ų | 58.9 | 58% | 0.579 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67.3 | -29.5 | 178 | -70.9 | 173.5 | -12.2 | 0 | 0 | 112.7 | R109 Y110 H111 N115 | R109-Q113 HydrophobicContact CG-CG 4.4Å; R109-Q113 WeakPolarHBondContact O-CG 3.46Å; R109-Q113 PolarHBondContact O-N 2.93Å; Y110-Q113 WeakPolarHBondContact O-CB 3.23Å; Y110-Q113 PolarHBondContact O-N 3.33Å; Y110-Q113 VanDerWaalsContact O-N 3.12Å; H111-Q113 VanDerWaalsContact C-N 3.33Å; H111-Q113 PolarHBondContact O-N 3.27Å; Q113-N115 PolarHBondContact O-N 3.08Å |
| 114 | Q | 89.1 | Confident | 93.6 | Very high | 110 Ų | 110 | 58.4 Ų | 58.4 | 51% | 0.514 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 8.5 | 170.8 | -59.3 | -49.2 | -53.6 | 0 | 0 | 113.2 | Y110 H111 L112 V116 | Y110-Q114 HydrophobicContact CD1-CG 4.31Å; Y110-Q114 HydrophobicContact CE1-CG 3.89Å; Y110-Q114 HydrophobicContact CE2-CG 4.44Å; Y110-Q114 WeakPolarHBondContact O-CG 3.46Å; Y110-Q114 PolarHBondContact O-N 2.92Å; H111-Q114 PolarHBondContact O-N 3.02Å; L112-Q114 VanDerWaalsContact C-N 3.29Å; L112-Q114 PolarHBondContact O-N 3.22Å; Q114-V116 HydrophobicContact CB-CG2 4.37Å; Q114-V116 PolarHBondContact O-N 3.04Å |
| 115 | N | 89.1 | Confident | 94 | Very high | 138 Ų | 138 | 56.2 Ų | 56.2 | 74% | 0.738 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 28.5 | -177 | -56.8 | -75.5 | 0 | 0 | 0 | 113.8 | H111 L112 Q113 R117 | H111-N115 PolarHBondContact O-N 3.32Å; L112-N115 WeakPolarHBondContact O-CA 3.47Å; L112-N115 PolarHBondContact O-N 3.38Å; Q113-N115 PolarHBondContact O-N 3.08Å; N115-R117 PolarHBondContact O-N 3.18Å |
| 116 | V | 91.1 | Very high | 94.4 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | trans | -61.4 | 129.4 | 171 | 176 | 0 | 0 | 0 | 0 | 108.7 | H111 Q114 F118 F298 | H111-V116 HydrophobicContact CB-CB 4.18Å; H111-V116 HydrophobicContact CB-CG2 4.08Å; H111-V116 VanDerWaalsContact O-CB 3.26Å; H111-V116 WeakPolarHBondContact O-CB 3.49Å; H111-V116 VanDerWaalsContact O-CG2 3.31Å; H111-V116 WeakPolarHBondContact O-CG2 3.44Å; H111-V116 PolarHBondContact O-N 3.38Å; Q114-V116 HydrophobicContact CB-CG2 4.37Å; Q114-V116 PolarHBondContact O-N 3.04Å; V116-F118 HydrophobicContact CB-CE2 4.31Å; V116-F118 HydrophobicContact CB-CZ 4.46Å; V116-F118 HydrophobicContact CG1-CD1 4.36Å; V116-F118 HydrophobicContact CG1-CD2 4.23Å; V116-F118 HydrophobicContact CG1-CE1 4.07Å; V116-F118 HydrophobicContact CG1-CE2 3.92Å; V116-F118 HydrophobicContact CG1-CG 4.45Å; V116-F118 HydrophobicContact CG1-CZ 3.85Å; V116-F298 HydrophobicContact CG1-CD2 4.07Å; V116-F298 HydrophobicContact CG1-CE2 3.65Å; V116-F298 HydrophobicContact CG1-CZ 4.16Å; V116-F298 HydrophobicContact CG2-CE2 4.32Å; V116-F298 HydrophobicContact CG2-CZ 4.42Å | ||
| 117 | R | 87.1 | Confident | 94.7 | Very high | 232 Ų | 232 | 55.9 Ų | 55.9 | 88% | 0.875 | 26% | 0.255 | S | S | * | . | trans | -104.1 | 107.9 | 172.4 | -66.4 | -172.1 | 179.6 | -168.5 | 1.1 | 108.9 | N115 | N115-R117 PolarHBondContact O-N 3.18Š| ||
| 118 | F | 95.9 | Very high | 95 | Very high | 12 Ų | 12 | 54 Ų | 54 | 5% | 0.053 | 25% | 0.246 | C | C | . | . | trans | -73.6 | 138.3 | 176.8 | -63.7 | -85.4 | 0 | 0 | 0 | 110.2 | L108 H111 V116 T122 V123 F126 L216 F298 | L108-F118 HydrophobicContact CD2-CE1 4.47Å; L108-F118 HydrophobicContact CD2-CZ 4.08Å; H111-F118 HydrophobicContact CB-CE2 4.24Å; H111-F118 HydrophobicContact CB-CZ 3.77Å; V116-F118 HydrophobicContact CB-CE2 4.31Å; V116-F118 HydrophobicContact CB-CZ 4.46Å; V116-F118 HydrophobicContact CG1-CD1 4.36Å; V116-F118 HydrophobicContact CG1-CD2 4.23Å; V116-F118 HydrophobicContact CG1-CE1 4.07Å; V116-F118 HydrophobicContact CG1-CE2 3.92Å; V116-F118 HydrophobicContact CG1-CG 4.45Å; V116-F118 HydrophobicContact CG1-CZ 3.85Å; F118-T122 HydrophobicContact CD1-CG2 4.15Å; F118-V123 HydrophobicContact CB-CG2 3.67Å; F118-F126 AromaticContact CD1-CE2 3.82Å; F118-F126 HydrophobicContact CD1-CE2 3.82Å; F118-F126 HydrophobicContact CD1-CZ 4.33Å; F118-F126 AromaticContact CE1-CE2 3.84Å; F118-F126 HydrophobicContact CE1-CE2 3.84Å; F118-F126 HydrophobicContact CE1-CZ 4.2Å; F118-L216 HydrophobicContact CD2-CB 4.09Å; F118-L216 HydrophobicContact CD2-CD2 3.84Å; F118-L216 HydrophobicContact CE2-CD2 3.67Å; F118-L216 HydrophobicContact CZ-CD2 4.41Å; F118-F298 HydrophobicContact CD1-CB 4.16Å; F118-F298 HydrophobicContact CD1-CD1 4.46Å; F118-F298 HydrophobicContact CD1-CG 4.17Å; F118-F298 HydrophobicContact CE1-CB 4.15Å; F118-F298 AromaticContact CE1-CD1 3.63Å; F118-F298 HydrophobicContact CE1-CD1 3.63Å; F118-F298 HydrophobicContact CE1-CD2 4.25Å; F118-F298 HydrophobicContact CE1-CE1 4.03Å; F118-F298 AromaticContact CE1-CG 3.74Å; F118-F298 HydrophobicContact CE1-CG 3.74Å; F118-F298 HydrophobicContact CZ-CD1 4.46Å; F118-F298 HydrophobicContact CZ-CE1 4.44Å | ||
| 119 | K | 96.7 | Very high | 95.1 | Very high | 151 Ų | 151 | 54.1 Ų | 54.1 | 66% | 0.657 | 25% | 0.246 | S | C | * | . | trans | -74.5 | 154.4 | 172.8 | -63.7 | -179.4 | -178.9 | 178.4 | 0 | 109.8 | E121 T122 V123 | K119-E121 VanDerWaalsContact C-N 3.3Å; K119-E121 PolarHBondContact O-N 3.43Å; K119-T122 WeakPolarHBondContact O-CB 3.22Å; K119-T122 PolarHBondContact O-N 2.99Å; K119-V123 PolarHBondContact O-N 3.11Å | ||
| 120 | E | 97.3 | Very high | 95.3 | Very high | 41 Ų | 41 | 52.4 Ų | 52.4 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.1 | -43 | 177.3 | -78.4 | -179.5 | -130.1 | 0 | 0 | 113 | T122 V123 K124 L217 W249 S250 M253 | E120-T122 VanDerWaalsContact C-N 3.27Å; E120-T122 PolarHBondContact O-N 3.43Å; E120-V123 PolarHBondContact O-N 2.82Å; E120-K124 WeakPolarHBondContact O-CB 3.38Å; E120-K124 PolarHBondContact O-N 2.96Å; E120-L217 HydrophobicContact CB-CD2 4.49Å; E120-L217 HydrophobicContact CG-CD2 3.83Å; E120-W249 WeakPolarHBondContact OE1-CA 3.38Å; E120-S250 PolarHBondContact OE1-N 2.84Å; E120-S250 VanDerWaalsContact OE2-CB 3.24Å; E120-S250 WeakPolarHBondContact OE2-CB 3.47Å; E120-S250 PolarHBondContact OE2-N 2.7Å; E120-S250 VanDerWaalsContact OE2-N 3.1Å; E120-S250 PolarHBondContact OE2-OG 3.34Å; E120-M253 HydrophobicContact CB-CE 4.19Å; E120-M253 HydrophobicContact CG-CE 4.45Å; E120-M253 HydrophobicContact CG-CG 4.26Å; E120-M253 WeakPolarHBondContact O-CE 3.37Å; E120-M253 VanDerWaalsContact OE2-CB 3.27Å; E120-M253 WeakPolarHBondContact OE2-CB 3.42Å |
| 121 | E | 97.1 | Very high | 95.6 | Very high | 145 Ų | 145 | 51.2 Ų | 51.2 | 68% | 0.678 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -59.7 | -37.9 | 177.1 | -64.8 | 171.5 | 177.8 | 0 | 0 | 112.4 | K119 L125 | K119-E121 VanDerWaalsContact C-N 3.3Å; K119-E121 PolarHBondContact O-N 3.43Å; E121-L125 PolarHBondContact O-N 3.01Å; E121-L125 VanDerWaalsContact O-N 3.14Å |
| 122 | T | 98.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67 | -46.5 | 176.4 | -50 | 0 | 0 | 0 | 0 | 110.8 | F118 K119 E120 K124 L125 F126 P296 F298 | F118-T122 HydrophobicContact CD1-CG2 4.15Å; K119-T122 WeakPolarHBondContact O-CB 3.22Å; K119-T122 PolarHBondContact O-N 2.99Å; E120-T122 VanDerWaalsContact C-N 3.27Å; E120-T122 PolarHBondContact O-N 3.43Å; T122-K124 VanDerWaalsContact C-N 3.32Å; T122-K124 PolarHBondContact O-N 3.12Å; T122-L125 PolarHBondContact O-N 2.96Å; T122-F126 HydrophobicContact CG2-CD1 4.47Å; T122-F126 HydrophobicContact CG2-CD2 4.44Å; T122-F126 HydrophobicContact CG2-CE1 3.88Å; T122-F126 HydrophobicContact CG2-CE2 3.86Å; T122-F126 HydrophobicContact CG2-CZ 3.55Å; T122-F126 WeakPolarHBondContact O-CG 3.36Å; T122-F126 PolarHBondContact O-N 2.81Å; T122-P296 HydrophobicContact CG2-CB 4.14Å; T122-F298 HydrophobicContact CG2-CB 3.77Å |
| 123 | V | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.5 | -34.4 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | F118 K119 E120 F126 I127 A213 L216 L217 M253 | F118-V123 HydrophobicContact CB-CG2 3.67Å; K119-V123 PolarHBondContact O-N 3.11Å; E120-V123 PolarHBondContact O-N 2.82Å; V123-F126 PolarHBondContact O-N 2.85Å; V123-I127 HydrophobicContact CG1-CD1 4.19Å; V123-I127 HydrophobicContact CG1-CG1 4.48Å; V123-I127 VanDerWaalsContact O-CG1 3.3Å; V123-I127 WeakPolarHBondContact O-CG1 3.24Å; V123-I127 PolarHBondContact O-N 3.32Å; V123-A213 HydrophobicContact CG1-CB 3.84Å; V123-L216 HydrophobicContact CG2-CB 3.94Å; V123-L217 HydrophobicContact CB-CD2 3.91Å; V123-L217 HydrophobicContact CB-CG 4.18Å; V123-L217 HydrophobicContact CG1-CD1 4.33Å; V123-L217 HydrophobicContact CG1-CD2 4.41Å; V123-L217 HydrophobicContact CG1-CG 4.14Å; V123-L217 HydrophobicContact CG2-CD2 3.55Å; V123-L217 HydrophobicContact CG2-CG 3.92Å; V123-M253 HydrophobicContact CB-CE 4.49Å |
| 124 | K | 98.5 | Very high | 96.5 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.7 | -50.2 | 172.3 | -176.1 | -170 | -174.7 | 179.8 | 0 | 110.6 | E120 T122 I127 C128 M253 Y280 M281 D283 I284 | E120-K124 WeakPolarHBondContact O-CB 3.38Å; E120-K124 PolarHBondContact O-N 2.96Å; T122-K124 VanDerWaalsContact C-N 3.32Å; T122-K124 PolarHBondContact O-N 3.12Å; K124-I127 WeakPolarHBondContact O-CB 3.45Å; K124-I127 PolarHBondContact O-N 3.13Å; K124-C128 PolarHBondContact O-N 3.29Å; K124-C128 PolarHBondContact O-SG 3.35Å; K124-M253 HydrophobicContact CB-CE 4.11Å; K124-Y280 HydrophobicContact CB-CE1 4.23Å; K124-Y280 HydrophobicContact CD-CD1 4.43Å; K124-Y280 HydrophobicContact CD-CE1 3.76Å; K124-Y280 HydrophobicContact CD-CE2 4.09Å; K124-Y280 WeakPolarHBondContact CE-O 3.49Å; K124-Y280 HydrophobicContact CG-CD1 4.42Å; K124-Y280 HydrophobicContact CG-CE1 3.7Å; K124-Y280 PolarHBondContact NZ-O 2.88Å; K124-M281 HydrophobicContact CG-CE 4.2Å; K124-M281 HydrophobicContact CG-SD 4.12Å; K124-D283 IonicContact NZ-OD1 3.47Å; K124-D283 PolarHBondContact NZ-OD1 3.12Å; K124-D283 IonicContact NZ-OD2 3.06Å; K124-D283 PolarHBondContact NZ-OD2 3.44Å; K124-I284 HydrophobicContact CD-CD1 4.43Å |
| 125 | L | 98.5 | Very high | 97 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 15% | 0.152 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.1 | -39.6 | 177.5 | -71.6 | 178.4 | 0 | 0 | 0 | 112.4 | E121 T122 I127 C128 E129 I284 L294 P296 | E121-L125 PolarHBondContact O-N 3.01Å; E121-L125 VanDerWaalsContact O-N 3.14Å; T122-L125 PolarHBondContact O-N 2.96Å; L125-I127 VanDerWaalsContact C-N 3.27Å; L125-I127 PolarHBondContact O-N 2.8Å; L125-C128 WeakPolarHBondContact O-CB 3.38Å; L125-C128 PolarHBondContact O-N 2.86Å; L125-C128 VanDerWaalsContact O-N 3.09Å; L125-E129 WeakPolarHBondContact O-CG 3.37Å; L125-E129 PolarHBondContact O-N 2.62Å; L125-I284 HydrophobicContact CD2-CD1 4.19Å; L125-L294 HydrophobicContact CD2-CB 4.27Å; L125-L294 HydrophobicContact CD2-CD1 4.17Å; L125-P296 HydrophobicContact CB-CG 4.43Å |
| 126 | F | 98.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.6 | -40.6 | 172.7 | -67.2 | -12 | 0 | 0 | 0 | 112.1 | L108 F118 T122 V123 E129 L130 L154 G158 V160 L216 P296 | L108-F126 HydrophobicContact CD2-CE2 4.09Å; F118-F126 AromaticContact CD1-CE2 3.82Å; F118-F126 HydrophobicContact CD1-CE2 3.82Å; F118-F126 HydrophobicContact CD1-CZ 4.33Å; F118-F126 AromaticContact CE1-CE2 3.84Å; F118-F126 HydrophobicContact CE1-CE2 3.84Å; F118-F126 HydrophobicContact CE1-CZ 4.2Å; T122-F126 HydrophobicContact CG2-CD1 4.47Å; T122-F126 HydrophobicContact CG2-CD2 4.44Å; T122-F126 HydrophobicContact CG2-CE1 3.88Å; T122-F126 HydrophobicContact CG2-CE2 3.86Å; T122-F126 HydrophobicContact CG2-CZ 3.55Å; T122-F126 WeakPolarHBondContact O-CG 3.36Å; T122-F126 PolarHBondContact O-N 2.81Å; V123-F126 PolarHBondContact O-N 2.85Å; F126-E129 PolarHBondContact O-N 3.02Å; F126-L130 WeakPolarHBondContact O-CB 3.47Å; F126-L130 WeakPolarHBondContact O-CG 3.43Å; F126-L130 PolarHBondContact O-N 2.7Å; F126-L154 HydrophobicContact CE1-CD2 4.06Å; F126-L154 HydrophobicContact CZ-CD2 3.88Å; F126-G158 WeakPolarHBondContact CE1-O 3.39Å; F126-V160 HydrophobicContact CB-CG1 4.29Å; F126-V160 HydrophobicContact CB-CG2 4.02Å; F126-V160 HydrophobicContact CD1-CB 4.4Å; F126-V160 HydrophobicContact CD1-CG1 3.52Å; F126-V160 HydrophobicContact CD1-CG2 4Å; F126-V160 HydrophobicContact CD2-CG1 4.07Å; F126-V160 HydrophobicContact CE1-CG1 3.7Å; F126-V160 HydrophobicContact CE2-CG1 4.23Å; F126-V160 HydrophobicContact CG-CG1 3.71Å; F126-V160 HydrophobicContact CG-CG2 4.21Å; F126-V160 HydrophobicContact CZ-CG1 4.05Å; F126-L216 HydrophobicContact CD2-CD1 4.09Å; F126-P296 HydrophobicContact CD1-CB 4.09Å; F126-P296 HydrophobicContact CD1-CG 4.14Å; F126-P296 HydrophobicContact CE1-CB 3.55Å; F126-P296 HydrophobicContact CE1-CG 3.88Å; F126-P296 HydrophobicContact CZ-CB 4.47Å |
| 127 | I | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61 | -48.9 | 173.5 | -67.9 | 165.3 | 0 | 0 | 0 | 109.6 | V123 K124 L125 E129 L130 V131 L209 A213 M253 L256 M281 | V123-I127 HydrophobicContact CG1-CD1 4.19Å; V123-I127 HydrophobicContact CG1-CG1 4.48Å; V123-I127 VanDerWaalsContact O-CG1 3.3Å; V123-I127 WeakPolarHBondContact O-CG1 3.24Å; V123-I127 PolarHBondContact O-N 3.32Å; K124-I127 WeakPolarHBondContact O-CB 3.45Å; K124-I127 PolarHBondContact O-N 3.13Å; L125-I127 VanDerWaalsContact C-N 3.27Å; L125-I127 PolarHBondContact O-N 2.8Å; I127-E129 VanDerWaalsContact C-N 3.33Å; I127-E129 PolarHBondContact O-N 2.89Å; I127-L130 PolarHBondContact O-N 2.89Å; I127-V131 HydrophobicContact CG2-CG1 3.87Å; I127-V131 VanDerWaalsContact O-CG1 3.29Å; I127-V131 WeakPolarHBondContact O-CG1 3.33Å; I127-V131 VanDerWaalsContact O-CG2 3.31Å; I127-V131 WeakPolarHBondContact O-CG2 3.48Å; I127-V131 PolarHBondContact O-N 3.24Å; I127-L209 HydrophobicContact CG2-CD2 4.46Å; I127-A213 HydrophobicContact CD1-CB 3.85Å; I127-A213 HydrophobicContact CG1-CB 4.02Å; I127-M253 HydrophobicContact CD1-SD 4.47Å; I127-L256 HydrophobicContact CD1-CD2 3.72Å; I127-L256 HydrophobicContact CG2-CD2 4.31Å; I127-M281 HydrophobicContact CG2-CE 4.4Å |
| 128 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -53.5 | -47 | 178.2 | -64.9 | 0 | 0 | 0 | 0 | 112.6 | K124 L125 V131 M132 W286 V289 | K124-C128 PolarHBondContact O-N 3.29Å; K124-C128 PolarHBondContact O-SG 3.35Å; L125-C128 WeakPolarHBondContact O-CB 3.38Å; L125-C128 PolarHBondContact O-N 2.86Å; L125-C128 VanDerWaalsContact O-N 3.09Å; C128-V131 VanDerWaalsContact O-CG2 3.29Å; C128-V131 WeakPolarHBondContact O-CG2 3.49Å; C128-M132 WeakPolarHBondContact O-CG 3.36Å; C128-M132 PolarHBondContact O-N 2.87Å; C128-W286 HydrophobicContact CB-CH2 4.2Å; C128-W286 HydrophobicContact CB-CZ3 4.03Å; C128-V289 HydrophobicContact CB-CG1 4.21Å; C128-V289 HydrophobicContact CB-CG2 4.27Å |
| 129 | E | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.7 | -45.6 | 179.9 | -65.2 | -177.9 | 165.1 | 0 | 0 | 112 | F82 L125 F126 I127 M132 A133 H159 V160 V289 | F82-E129 HydrophobicContact CD1-CB 3.79Å; F82-E129 HydrophobicContact CD1-CG 4.04Å; F82-E129 HydrophobicContact CD2-CB 4.01Å; F82-E129 VanDerWaalsContact CD2-O 3.23Å; F82-E129 WeakPolarHBondContact CD2-O 3.34Å; F82-E129 HydrophobicContact CE1-CB 3.78Å; F82-E129 HydrophobicContact CE1-CG 3.5Å; F82-E129 VanDerWaalsContact CE1-CG 3.5Å; F82-E129 HydrophobicContact CE2-CB 4.03Å; F82-E129 HydrophobicContact CE2-CG 4.07Å; F82-E129 HydrophobicContact CG-CB 3.9Å; F82-E129 HydrophobicContact CZ-CB 3.9Å; F82-E129 HydrophobicContact CZ-CG 3.52Å; L125-E129 WeakPolarHBondContact O-CG 3.37Å; L125-E129 PolarHBondContact O-N 2.62Å; F126-E129 PolarHBondContact O-N 3.02Å; I127-E129 VanDerWaalsContact C-N 3.33Å; I127-E129 PolarHBondContact O-N 2.89Å; E129-M132 PolarHBondContact O-N 3Å; E129-A133 PolarHBondContact O-N 3.47Å; E129-H159 IonicContact OE1-CE1 3.78Å; E129-H159 IonicContact OE1-CG 2.97Å; E129-H159 IonicContact OE1-ND1 2.66Å; E129-H159 PolarHBondContact OE1-ND1 2.86Å; E129-H159 WeakPolarHBondContact OE2-CA 3.31Å; E129-V160 HydrophobicContact CB-CG2 3.76Å; E129-V160 WeakPolarHBondContact OE2-CG2 3.41Å; E129-V160 PolarHBondContact OE2-N 2.86Å; E129-V289 HydrophobicContact CG-CG1 4.03Å |
| 130 | L | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.7 | -35.4 | -177.2 | -66.1 | 170.4 | 0 | 0 | 0 | 112.5 | F126 I127 M132 A133 L134 M147 I152 V160 I162 L209 | F126-L130 WeakPolarHBondContact O-CB 3.47Å; F126-L130 WeakPolarHBondContact O-CG 3.43Å; F126-L130 PolarHBondContact O-N 2.7Å; I127-L130 PolarHBondContact O-N 2.89Å; L130-M132 VanDerWaalsContact C-N 3.31Å; L130-M132 PolarHBondContact O-N 3.1Å; L130-A133 WeakPolarHBondContact O-CB 3.06Å; L130-A133 PolarHBondContact O-N 3.28Å; L130-A133 VanDerWaalsContact O-N 3.17Å; L130-L134 WeakPolarHBondContact O-CG 3.49Å; L130-L134 PolarHBondContact O-N 3.2Å; L130-M147 HydrophobicContact CD2-CE 4.25Å; L130-I152 HydrophobicContact CD1-CD1 3.88Å; L130-I152 HydrophobicContact CD1-CG2 4.46Å; L130-I152 HydrophobicContact CD2-CG1 4.48Å; L130-I152 HydrophobicContact CD2-CG2 4.3Å; L130-V160 HydrophobicContact CD1-CG2 4.07Å; L130-V160 HydrophobicContact CD2-CB 4.28Å; L130-V160 HydrophobicContact CD2-CG2 3.92Å; L130-V160 HydrophobicContact CG-CB 4.43Å; L130-V160 HydrophobicContact CG-CG2 3.65Å; L130-I162 HydrophobicContact CD2-CD1 4.14Å; L130-I162 HydrophobicContact CD2-CG1 3.56Å; L130-L209 HydrophobicContact CB-CD1 3.9Å; L130-L209 HydrophobicContact CB-CD2 4.24Å; L130-L209 HydrophobicContact CD1-CD1 3.52Å; L130-L209 HydrophobicContact CG-CD1 4.36Å |
| 131 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.4 | -33.1 | 177.6 | -62 | 0 | 0 | 0 | 0 | 111.9 | I127 C128 A133 L134 D135 W206 L209 L272 V275 W286 | I127-V131 HydrophobicContact CG2-CG1 3.87Å; I127-V131 VanDerWaalsContact O-CG1 3.29Å; I127-V131 WeakPolarHBondContact O-CG1 3.33Å; I127-V131 VanDerWaalsContact O-CG2 3.31Å; I127-V131 WeakPolarHBondContact O-CG2 3.48Å; I127-V131 PolarHBondContact O-N 3.24Å; C128-V131 VanDerWaalsContact O-CG2 3.29Å; C128-V131 WeakPolarHBondContact O-CG2 3.49Å; V131-A133 VanDerWaalsContact C-N 3.34Å; V131-L134 PolarHBondContact O-N 2.63Å; V131-D135 VanDerWaalsContact O-CB 3.3Å; V131-D135 WeakPolarHBondContact O-CB 3.48Å; V131-D135 PolarHBondContact O-N 3.35Å; V131-W206 HydrophobicContact CB-CH2 3.84Å; V131-W206 HydrophobicContact CB-CZ3 3.73Å; V131-W206 HydrophobicContact CG1-CE3 4.15Å; V131-W206 HydrophobicContact CG1-CH2 4.19Å; V131-W206 HydrophobicContact CG1-CZ3 3.56Å; V131-L209 HydrophobicContact CG1-CD2 3.51Å; V131-L272 HydrophobicContact CG2-CD1 3.85Å; V131-V275 HydrophobicContact CB-CG2 4.49Å; V131-V275 HydrophobicContact CG1-CG2 4.12Å; V131-V275 HydrophobicContact CG2-CB 4.43Å; V131-V275 HydrophobicContact CG2-CG1 4.24Å; V131-W286 HydrophobicContact CG2-CH2 3.91Å; V131-W286 HydrophobicContact CG2-CZ3 3.84Å |
| 132 | M | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 20.6 Ų | 20.6 | 12% | 0.118 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 171.3 | -66.2 | -167.9 | 80.7 | 0 | 0 | 111.2 | F82 C128 E129 L130 Y136 L272 W286 V289 F290 | F82-M132 HydrophobicContact CD2-CB 4.31Å; F82-M132 HydrophobicContact CE2-SD 4.21Å; C128-M132 WeakPolarHBondContact O-CG 3.36Å; C128-M132 PolarHBondContact O-N 2.87Å; E129-M132 PolarHBondContact O-N 3Å; L130-M132 VanDerWaalsContact C-N 3.31Å; L130-M132 PolarHBondContact O-N 3.1Å; M132-Y136 WeakPolarHBondContact O-CB 3.21Å; M132-Y136 PolarHBondContact O-N 3.03Å; M132-L272 HydrophobicContact CG-CD1 4.01Å; M132-L272 HydrophobicContact CG-CD2 4.45Å; M132-W286 HydrophobicContact CG-CE3 4.01Å; M132-W286 HydrophobicContact CG-CZ3 4.02Å; M132-W286 HydrophobicContact SD-CE3 4.02Å; M132-V289 HydrophobicContact SD-CB 4.16Å; M132-V289 HydrophobicContact SD-CG1 3.71Å; M132-F290 HydrophobicContact CE-CB 3.87Å; M132-F290 HydrophobicContact CE-CD2 3.65Å; M132-F290 HydrophobicContact CE-CG 4.2Å; M132-F290 HydrophobicContact SD-CB 4.29Å |
| 133 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H80 F82 L83 E129 L130 V131 Y136 L137 I162 | H80-A133 PolarHBondContact CE1-N 2.81Å; F82-A133 HydrophobicContact CB-CB 4.02Å; L83-A133 HydrophobicContact CD2-CB 4.01Å; E129-A133 PolarHBondContact O-N 3.47Å; L130-A133 WeakPolarHBondContact O-CB 3.06Å; L130-A133 PolarHBondContact O-N 3.28Å; L130-A133 VanDerWaalsContact O-N 3.17Å; V131-A133 VanDerWaalsContact C-N 3.34Å; A133-Y136 WeakPolarHBondContact O-CB 3.4Å; A133-Y136 PolarHBondContact O-N 2.89Å; A133-L137 VanDerWaalsContact O-CG 3.32Å; A133-L137 WeakPolarHBondContact O-CG 3.33Å; A133-L137 PolarHBondContact O-N 3.28Å; A133-I162 HydrophobicContact CB-CD1 3.63Å; A133-I162 HydrophobicContact CB-CG1 4.33Å |
| 134 | L | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66 | -41.5 | 179.2 | -69.1 | -175.3 | 0 | 0 | 0 | 112.2 | L130 V131 L137 Q138 M147 I162 D205 W206 L209 | L130-L134 WeakPolarHBondContact O-CG 3.49Å; L130-L134 PolarHBondContact O-N 3.2Å; V131-L134 PolarHBondContact O-N 2.63Å; L134-L137 HydrophobicContact CD2-CD1 4.34Å; L134-L137 PolarHBondContact O-N 2.88Å; L134-Q138 WeakPolarHBondContact O-CB 3.2Å; L134-Q138 PolarHBondContact O-N 3.27Å; L134-M147 HydrophobicContact CD2-CE 4.33Å; L134-M147 HydrophobicContact CD2-CG 4.25Å; L134-M147 HydrophobicContact CD2-SD 4.24Å; L134-I162 HydrophobicContact CD2-CD1 3.85Å; L134-I162 HydrophobicContact CG-CD1 4.38Å; L134-D205 HydrophobicContact CD1-CB 4.19Å; L134-D205 HydrophobicContact CD2-CB 3.76Å; L134-W206 HydrophobicContact CB-CZ2 4.15Å; L134-W206 HydrophobicContact CD1-CD2 4.34Å; L134-W206 HydrophobicContact CD1-CG 4.35Å; L134-L209 HydrophobicContact CD1-CB 4.22Å; L134-L209 HydrophobicContact CD1-CD2 4.02Å |
| 135 | D | 98.8 | Very high | 98.5 | Very high | 46 Ų | 46 | 20.8 Ų | 20.8 | 25% | 0.246 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.7 | -166.6 | 82.1 | 0 | 0 | 0 | 111.4 | V131 Q138 S139 W206 L272 | V131-D135 VanDerWaalsContact O-CB 3.3Å; V131-D135 WeakPolarHBondContact O-CB 3.48Å; V131-D135 PolarHBondContact O-N 3.35Å; D135-Q138 WeakPolarHBondContact O-CB 3.5Å; D135-Q138 PolarHBondContact O-N 2.92Å; D135-S139 PolarHBondContact O-N 3.36Å; D135-W206 HydrophobicContact CB-CZ2 4.37Å; D135-L272 HydrophobicContact CB-CB 3.67Å; D135-L272 VanDerWaalsContact CG-CB 3.41Å; D135-L272 WeakPolarHBondContact OD1-CB 3.32Å; D135-L272 PolarHBondContact OD1-N 3.22Å |
| 136 | Y | 98.8 | Very high | 98.5 | Very high | 43 Ų | 43 | 20.1 Ų | 20.1 | 17% | 0.169 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.5 | -49.1 | 170.8 | 170.3 | -104.5 | 0 | 0 | 0 | 111.9 | L78 E79 H80 L83 M132 A133 Q138 S139 Q140 | L78-Y136 WeakPolarHBondContact CA-OH 3.38Å; L78-Y136 HydrophobicContact CB-CE1 4.27Å; L78-Y136 HydrophobicContact CD2-CE1 3.74Å; E79-Y136 PolarHBondContact N-OH 2.92Å; E79-Y136 PolarHBondContact O-OH 2.85Å; H80-Y136 HydrophobicContact CB-CD1 3.64Å; H80-Y136 HydrophobicContact CB-CE1 3.78Å; H80-Y136 HydrophobicContact CB-CG 4.17Å; H80-Y136 AromaticContact CD2-CD1 3.99Å; H80-Y136 AromaticContact CD2-CG 3.64Å; H80-Y136 AromaticContact CG-CD1 3.9Å; L83-Y136 HydrophobicContact CD1-CD1 3.85Å; L83-Y136 HydrophobicContact CD1-CE1 3.78Å; M132-Y136 WeakPolarHBondContact O-CB 3.21Å; M132-Y136 PolarHBondContact O-N 3.03Å; A133-Y136 WeakPolarHBondContact O-CB 3.4Å; A133-Y136 PolarHBondContact O-N 2.89Å; Y136-Q138 VanDerWaalsContact C-N 3.29Å; Y136-Q138 PolarHBondContact O-N 3.28Å; Y136-S139 WeakPolarHBondContact O-CB 3.07Å; Y136-S139 PolarHBondContact O-N 2.96Å; Y136-S139 VanDerWaalsContact O-N 3.1Å; Y136-S139 PolarHBondContact O-OG 2.92Å; Y136-Q140 HydrophobicContact CD2-CG 4.3Å; Y136-Q140 HydrophobicContact CE1-CG 4.15Å; Y136-Q140 HydrophobicContact CE2-CG 3.76Å; Y136-Q140 WeakPolarHBondContact O-CG 3.37Å; Y136-Q140 PolarHBondContact O-N 3.46Å |
| 137 | L | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.2 | -42.8 | 177.1 | -71.4 | 177.6 | 0 | 0 | 0 | 111.8 | L78 L83 A133 L134 S139 Q140 R141 I142 H144 I162 F165 | L78-L137 HydrophobicContact CD1-CD2 3.59Å; L78-L137 HydrophobicContact CD2-CD2 3.99Å; L78-L137 HydrophobicContact CG-CD2 4.42Å; L83-L137 HydrophobicContact CD1-CD2 3.93Å; L83-L137 HydrophobicContact CD2-CD1 4.4Å; A133-L137 VanDerWaalsContact O-CG 3.32Å; A133-L137 WeakPolarHBondContact O-CG 3.33Å; A133-L137 PolarHBondContact O-N 3.28Å; L134-L137 HydrophobicContact CD2-CD1 4.34Å; L134-L137 PolarHBondContact O-N 2.88Å; L137-S139 VanDerWaalsContact C-N 3.34Å; L137-S139 PolarHBondContact O-N 3.36Å; L137-Q140 CarbonylContact O-C 3.59Å; L137-Q140 VanDerWaalsContact O-C 3.3Å; L137-Q140 WeakPolarHBondContact O-CA 3.33Å; L137-Q140 PolarHBondContact O-N 3.47Å; L137-Q140 VanDerWaalsContact O-N 3.08Å; L137-R141 PolarHBondContact O-N 2.96Å; L137-I142 CarbonylContact C-O 3.52Å; L137-I142 HydrophobicContact CB-CB 4.38Å; L137-I142 HydrophobicContact CD2-CB 4.25Å; L137-I142 HydrophobicContact CD2-CG2 4.22Å; L137-I142 PolarHBondContact O-N 3.37Å; L137-H144 HydrophobicContact CD1-CB 4.36Å; L137-I162 HydrophobicContact CD1-CD1 4.45Å; L137-F165 HydrophobicContact CD1-CE1 4.1Å; L137-F165 HydrophobicContact CD1-CZ 4.34Å; L137-F165 HydrophobicContact CD2-CE1 3.71Å; L137-F165 HydrophobicContact CD2-CZ 4.04Å |
| 138 | Q | 98.1 | Very high | 98.4 | Very high | 34 Ų | 34 | 21.3 Ų | 21.3 | 16% | 0.159 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.1 | -39.3 | 175.7 | 175.4 | 165.2 | -33.7 | 0 | 0 | 112.3 | L134 D135 Y136 Q140 R141 F202 S270 | L134-Q138 WeakPolarHBondContact O-CB 3.2Å; L134-Q138 PolarHBondContact O-N 3.27Å; D135-Q138 WeakPolarHBondContact O-CB 3.5Å; D135-Q138 PolarHBondContact O-N 2.92Å; Y136-Q138 VanDerWaalsContact C-N 3.29Å; Y136-Q138 PolarHBondContact O-N 3.28Å; Q138-Q140 VanDerWaalsContact C-N 3.25Å; Q138-Q140 PolarHBondContact O-N 3.44Å; Q138-R141 WeakPolarHBondContact O-CA 3.18Å; Q138-R141 PolarHBondContact O-N 3.46Å; Q138-F202 HydrophobicContact CB-CB 4.38Å; Q138-F202 HydrophobicContact CB-CD1 4.02Å; Q138-F202 HydrophobicContact CB-CG 4.11Å; Q138-F202 HydrophobicContact CG-CB 4.06Å; Q138-F202 HydrophobicContact CG-CD1 3.96Å; Q138-F202 HydrophobicContact CG-CD2 3.78Å; Q138-F202 HydrophobicContact CG-CE1 4.41Å; Q138-F202 HydrophobicContact CG-CE2 4.24Å; Q138-F202 HydrophobicContact CG-CG 3.64Å; Q138-S270 PolarHBondContact NE2-O 2.81Å; Q138-S270 PolarHBondContact OE1-O 2.74Å |
| 139 | S | 97.8 | Very high | 98.4 | Very high | 71 Ų | 71 | 21.3 Ų | 21.3 | 50% | 0.497 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -61.4 | -35.5 | 173 | 84.9 | 0 | 0 | 0 | 0 | 112 | D135 Y136 L137 R141 | D135-S139 PolarHBondContact O-N 3.36Å; Y136-S139 WeakPolarHBondContact O-CB 3.07Å; Y136-S139 PolarHBondContact O-N 2.96Å; Y136-S139 VanDerWaalsContact O-N 3.1Å; Y136-S139 PolarHBondContact O-OG 2.92Å; L137-S139 VanDerWaalsContact C-N 3.34Å; L137-S139 PolarHBondContact O-N 3.36Å; S139-R141 PolarHBondContact O-N 3.43Å |
| 140 | Q | 98.1 | Very high | 98.2 | Very high | 84 Ų | 84 | 24.2 Ų | 24.2 | 39% | 0.393 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 5.9 | 174.6 | -58 | -50.6 | -59.1 | 0 | 0 | 113.1 | L78 Y136 L137 Q138 I142 | L78-Q140 HydrophobicContact CD2-CB 3.78Å; L78-Q140 HydrophobicContact CD2-CG 3.76Å; Y136-Q140 HydrophobicContact CD2-CG 4.3Å; Y136-Q140 HydrophobicContact CE1-CG 4.15Å; Y136-Q140 HydrophobicContact CE2-CG 3.76Å; Y136-Q140 WeakPolarHBondContact O-CG 3.37Å; Y136-Q140 PolarHBondContact O-N 3.46Å; L137-Q140 CarbonylContact O-C 3.59Å; L137-Q140 VanDerWaalsContact O-C 3.3Å; L137-Q140 WeakPolarHBondContact O-CA 3.33Å; L137-Q140 PolarHBondContact O-N 3.47Å; L137-Q140 VanDerWaalsContact O-N 3.08Å; Q138-Q140 VanDerWaalsContact C-N 3.25Å; Q138-Q140 PolarHBondContact O-N 3.44Å; Q140-I142 HydrophobicContact CB-CG1 4.25Å; Q140-I142 PolarHBondContact O-N 3.38Å |
| 141 | R | 97.7 | Very high | 98.2 | Very high | 65 Ų | 65 | 24.6 Ų | 24.6 | 25% | 0.245 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 31.6 | 179.8 | -54.1 | -61.6 | -61.9 | 179.5 | 0.1 | 113.2 | L137 Q138 S139 M170 L171 P172 F202 | L137-R141 PolarHBondContact O-N 2.96Å; Q138-R141 WeakPolarHBondContact O-CA 3.18Å; Q138-R141 PolarHBondContact O-N 3.46Å; S139-R141 PolarHBondContact O-N 3.43Å; R141-M170 CarbonylContact O-C 3.49Å; R141-M170 VanDerWaalsContact O-CA 3.31Å; R141-M170 WeakPolarHBondContact O-CA 3.4Å; R141-L171 PolarHBondContact NE-O 3.31Å; R141-L171 PolarHBondContact NH2-O 2.93Å; R141-L171 VanDerWaalsContact NH2-O 3.14Å; R141-L171 PolarHBondContact O-N 2.86Å; R141-P172 PolarHBondContact NH2-O 3.03Å; R141-F202 VanDerWaalsContact CZ-CZ 3.44Å |
| 142 | I | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.9 | 177.1 | -57.8 | -55.4 | 0 | 0 | 0 | 109.9 | I74 L78 L137 Q140 F165 A168 A169 M170 | I74-I142 HydrophobicContact CD1-CD1 4.33Å; I74-I142 HydrophobicContact CG1-CD1 3.99Å; I74-I142 HydrophobicContact CG2-CD1 4.03Å; I74-I142 HydrophobicContact CG2-CG1 4.17Å; I74-I142 HydrophobicContact CG2-CG2 4.1Å; L78-I142 HydrophobicContact CD2-CG1 4.36Å; L137-I142 CarbonylContact C-O 3.52Å; L137-I142 HydrophobicContact CB-CB 4.38Å; L137-I142 HydrophobicContact CD2-CB 4.25Å; L137-I142 HydrophobicContact CD2-CG2 4.22Å; L137-I142 PolarHBondContact O-N 3.37Å; Q140-I142 HydrophobicContact CB-CG1 4.25Å; Q140-I142 PolarHBondContact O-N 3.38Å; I142-F165 HydrophobicContact CG2-CD1 4.49Å; I142-F165 HydrophobicContact CG2-CE1 4.43Å; I142-A168 HydrophobicContact CG2-CB 4.22Å; I142-A169 WeakPolarHBondContact CA-O 3.37Å; I142-M170 HydrophobicContact CD1-CB 3.99Å; I142-M170 HydrophobicContact CD1-CE 4.26Å; I142-M170 HydrophobicContact CD1-CG 4.17Å |
| 143 | I | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.2 | 165.2 | -42.9 | -180 | 0 | 0 | 0 | 107.4 | R145 A168 A169 L171 I177 F202 V204 D205 | I143-R145 HydrophobicContact CB-CG 4.04Å; I143-R145 HydrophobicContact CG2-CG 3.56Å; I143-A168 CarbonylContact O-C 3.51Å; I143-A168 VanDerWaalsContact O-CA 3.25Å; I143-A168 WeakPolarHBondContact O-CA 3.45Å; I143-A169 PolarHBondContact N-O 3.3Å; I143-A169 PolarHBondContact O-N 2.89Å; I143-L171 HydrophobicContact CD1-CB 4.16Å; I143-L171 HydrophobicContact CD1-CD2 4.1Å; I143-L171 HydrophobicContact CD1-CG 4.49Å; I143-L171 HydrophobicContact CG1-CB 4.26Å; I143-I177 HydrophobicContact CD1-CD1 3.7Å; I143-I177 HydrophobicContact CD1-CG1 4.22Å; I143-F202 HydrophobicContact CD1-CD1 4.49Å; I143-F202 HydrophobicContact CG1-CD1 3.67Å; I143-F202 HydrophobicContact CG1-CE1 3.83Å; I143-V204 HydrophobicContact CG2-CG2 3.59Å; I143-D205 VanDerWaalsContact CG2-OD2 3.32Å; I143-D205 WeakPolarHBondContact CG2-OD2 3.42Å |
| 144 | H | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -73.1 | -46.6 | -179.2 | -173.8 | -94.6 | 0 | 0 | 0 | 111.9 | L137 D146 M147 I162 T163 D164 F165 D205 | L137-H144 HydrophobicContact CD1-CB 4.36Å; H144-D146 PolarHBondContact CE1-O 3.43Å; H144-D146 VanDerWaalsContact ND1-C 3.29Å; H144-D146 PolarHBondContact ND1-N 3.11Å; H144-D146 PolarHBondContact O-N 3.39Å; H144-D146 VanDerWaalsContact O-N 3.16Å; H144-M147 HydrophobicContact CB-CG 4.34Å; H144-M147 PolarHBondContact ND1-N 3.34Å; H144-I162 WeakPolarHBondContact NE2-CG2 3.49Å; H144-T163 PolarHBondContact NE2-O 3.42Å; H144-D164 PolarHBondContact NE2-O 2.97Å; H144-D164 VanDerWaalsContact NE2-O 3.11Å; H144-F165 AromaticContact CD2-CD1 3.93Å; H144-F165 AromaticContact CD2-CE1 3.81Å; H144-D205 PolarHBondContact N-OD2 2.91Å | ||
| 145 | R | 97.9 | Very high | 97.7 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 8% | 0.083 | 13% | 0.126 | C | C | . | . | trans | 67.5 | -4.4 | 177.9 | -52.6 | -168.1 | -66.9 | 172.7 | -0.1 | 117 | I143 I167 T179 G182 Y200 D205 | I143-R145 HydrophobicContact CB-CG 4.04Å; I143-R145 HydrophobicContact CG2-CG 3.56Å; R145-I167 HydrophobicContact CB-CD1 4.08Å; R145-I167 HydrophobicContact CB-CG1 4.34Å; R145-I167 PolarHBondContact NE-O 3.01Å; R145-I167 PolarHBondContact NH2-O 2.99Å; R145-T179 PolarHBondContact NH1-OG1 3.32Å; R145-G182 WeakPolarHBondContact O-CA 3.15Å; R145-Y200 VanDerWaalsContact CD-OH 3.29Å; R145-Y200 WeakPolarHBondContact CD-OH 3.47Å; R145-Y200 HydrophobicContact CG-CE2 4.42Å; R145-Y200 PolarHBondContact NH1-OH 2.92Å; R145-D205 WeakPolarHBondContact CA-OD1 3.42Å; R145-D205 PolarHBondContact N-OD1 2.89Å | ||
| 146 | D | 97.6 | Very high | 97.3 | Very high | 16 Ų | 16 | 27 Ų | 27 | 9% | 0.086 | 13% | 0.133 | C | C | . | . | trans | -134.6 | 42.2 | 177.2 | -148.7 | 28.4 | 0 | 0 | 0 | 113.7 | H144 K148 N151 I167 T183 | H144-D146 PolarHBondContact CE1-O 3.43Å; H144-D146 VanDerWaalsContact ND1-C 3.29Å; H144-D146 PolarHBondContact ND1-N 3.11Å; H144-D146 PolarHBondContact O-N 3.39Å; H144-D146 VanDerWaalsContact O-N 3.16Å; D146-K148 PolarHBondContact O-N 2.93Å; D146-K148 IonicContact OD1-NZ 2.68Å; D146-K148 PolarHBondContact OD1-NZ 3.29Å; D146-K148 WeakPolarHBondContact OD2-CE 3.35Å; D146-K148 IonicContact OD2-NZ 3.94Å; D146-K148 PolarHBondContact OD2-NZ 3.24Å; D146-N151 PolarHBondContact O-ND2 3.1Å; D146-N151 PolarHBondContact OD2-ND2 3.03Å; D146-N151 VanDerWaalsContact OD2-ND2 3.08Å; D146-I167 HydrophobicContact CB-CD1 3.78Å; D146-I167 HydrophobicContact CB-CG1 3.9Å; D146-T183 WeakPolarHBondContact OD1-CB 3.46Å; D146-T183 PolarHBondContact OD1-N 2.96Å; D146-T183 PolarHBondContact OD1-OG1 2.86Å | ||
| 147 | M | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -69.4 | 116.2 | 173.8 | -73.7 | -59.5 | -71.6 | 0 | 0 | 110.7 | L130 L134 H144 I152 I162 D205 S208 | L130-M147 HydrophobicContact CD2-CE 4.25Å; L134-M147 HydrophobicContact CD2-CE 4.33Å; L134-M147 HydrophobicContact CD2-CG 4.25Å; L134-M147 HydrophobicContact CD2-SD 4.24Å; H144-M147 HydrophobicContact CB-CG 4.34Å; H144-M147 PolarHBondContact ND1-N 3.34Å; M147-I152 HydrophobicContact CE-CD1 4.03Å; M147-I152 HydrophobicContact CE-CG1 4.26Å; M147-I162 HydrophobicContact CE-CD1 3.66Å; M147-I162 HydrophobicContact CE-CG1 3.8Å; M147-I162 HydrophobicContact SD-CB 4.42Å; M147-I162 HydrophobicContact SD-CD1 3.71Å; M147-I162 HydrophobicContact SD-CG1 3.93Å; M147-I162 HydrophobicContact SD-CG2 3.66Å; M147-D205 HydrophobicContact CG-CB 4.23Å; M147-S208 WeakPolarHBondContact O-CB 3.5Å | ||
| 148 | K | 98.4 | Very high | 96.9 | Very high | 29 Ų | 29 | 28.8 Ų | 28.8 | 13% | 0.126 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -163.1 | 164.5 | -179.2 | 61.4 | -175.2 | 168 | -167.8 | 0 | 110 | D146 D150 N151 I152 T183 Y186 | D146-K148 PolarHBondContact O-N 2.93Å; D146-K148 IonicContact OD1-NZ 2.68Å; D146-K148 PolarHBondContact OD1-NZ 3.29Å; D146-K148 WeakPolarHBondContact OD2-CE 3.35Å; D146-K148 IonicContact OD2-NZ 3.94Å; D146-K148 PolarHBondContact OD2-NZ 3.24Å; K148-D150 HydrophobicContact CD-CB 4.1Å; K148-D150 HydrophobicContact CG-CB 4.04Å; K148-D150 PolarHBondContact O-N 3.23Å; K148-D150 VanDerWaalsContact O-N 3.11Å; K148-N151 WeakPolarHBondContact CE-ND2 3.07Å; K148-N151 HydrophobicContact CG-CB 4.23Å; K148-N151 PolarHBondContact O-N 2.91Å; K148-I152 PolarHBondContact O-N 2.83Å; K148-T183 HydrophobicContact CD-CG2 4.3Å; K148-T183 PolarHBondContact NZ-OG1 3.23Å; K148-Y186 HydrophobicContact CB-CD1 3.97Å; K148-Y186 HydrophobicContact CB-CD2 3.81Å; K148-Y186 HydrophobicContact CB-CE1 3.94Å; K148-Y186 HydrophobicContact CB-CE2 3.76Å; K148-Y186 HydrophobicContact CB-CG 3.94Å |
| 149 | P | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -53 | -34.3 | 178.6 | -27.6 | 33.8 | 0 | 0 | 0 | 114.7 | L108 R109 L112 N151 I152 T212 | L108-P149 HydrophobicContact CB-CB 3.87Å; L108-P149 WeakPolarHBondContact CB-O 3.47Å; L108-P149 PolarHBondContact N-O 3.18Å; L108-P149 VanDerWaalsContact N-O 3.09Å; R109-P149 HydrophobicContact CB-CB 4.04Å; R109-P149 PolarHBondContact N-O 3.4Å; L112-P149 HydrophobicContact CD1-CB 3.89Å; L112-P149 HydrophobicContact CD1-CG 3.74Å; P149-N151 PolarHBondContact O-N 3.22Å; P149-I152 PolarHBondContact O-N 2.86Å; P149-T212 HydrophobicContact CG-CG2 4.11Å |
| 150 | D | 95.4 | Very high | 96.9 | Very high | 64 Ų | 64 | 24 Ų | 24 | 34% | 0.342 | 11% | 0.112 | S | C | . | . | G | 310 helix | trans | -65.2 | -25.9 | 179.7 | -49.5 | -117.2 | 0 | 0 | 0 | 112.9 | R109 K148 | R109-D150 HydrophobicContact CB-CB 4.23Å; R109-D150 WeakPolarHBondContact CG-OD1 3.4Å; R109-D150 IonicContact CZ-OD2 3.63Å; R109-D150 IonicContact NE-OD1 3.65Å; R109-D150 PolarHBondContact NE-OD1 2.71Å; R109-D150 IonicContact NE-OD2 3.63Å; R109-D150 PolarHBondContact NE-OD2 2.97Å; R109-D150 IonicContact NH2-OD2 3.65Å; R109-D150 PolarHBondContact NH2-OD2 3.31Å; K148-D150 HydrophobicContact CD-CB 4.1Å; K148-D150 HydrophobicContact CG-CB 4.04Å; K148-D150 PolarHBondContact O-N 3.23Å; K148-D150 VanDerWaalsContact O-N 3.11Å |
| 151 | N | 97.4 | Very high | 97 | Very high | 10 Ų | 10 | 20.2 Ų | 20.2 | 5% | 0.053 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -109.5 | 17.9 | -176.5 | -68.5 | -4 | 0 | 0 | 0 | 112.5 | D146 K148 P149 T163 | D146-N151 PolarHBondContact O-ND2 3.1Å; D146-N151 PolarHBondContact OD2-ND2 3.03Å; D146-N151 VanDerWaalsContact OD2-ND2 3.08Å; K148-N151 WeakPolarHBondContact CE-ND2 3.07Å; K148-N151 HydrophobicContact CG-CB 4.23Å; K148-N151 PolarHBondContact O-N 2.91Å; P149-N151 PolarHBondContact O-N 3.22Å; N151-T163 PolarHBondContact O-N 3.46Å |
| 152 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 113.8 | 175.3 | -62.1 | 163 | 0 | 0 | 0 | 107.9 | D107 L108 L130 M147 K148 P149 V160 H161 T212 | D107-I152 CarbonylContact C-O 3.53Å; D107-I152 WeakPolarHBondContact CA-O 3.31Å; L108-I152 HydrophobicContact CD1-CB 3.83Å; L108-I152 HydrophobicContact CD1-CD1 4.35Å; L108-I152 HydrophobicContact CD1-CG2 3.48Å; L108-I152 VanDerWaalsContact CD1-CG2 3.48Å; L108-I152 HydrophobicContact CG-CB 4.17Å; L108-I152 HydrophobicContact CG-CG2 3.95Å; L108-I152 PolarHBondContact N-O 2.86Å; L130-I152 HydrophobicContact CD1-CD1 3.88Å; L130-I152 HydrophobicContact CD1-CG2 4.46Å; L130-I152 HydrophobicContact CD2-CG1 4.48Å; L130-I152 HydrophobicContact CD2-CG2 4.3Å; M147-I152 HydrophobicContact CE-CD1 4.03Å; M147-I152 HydrophobicContact CE-CG1 4.26Å; K148-I152 PolarHBondContact O-N 2.83Å; P149-I152 PolarHBondContact O-N 2.86Å; I152-V160 HydrophobicContact CG2-CB 3.63Å; I152-V160 HydrophobicContact CG2-CG1 3.76Å; I152-H161 CarbonylContact C-O 3.59Å; I152-H161 WeakPolarHBondContact CA-O 3.49Å; I152-T212 HydrophobicContact CD1-CG2 3.81Å |
| 153 | L | 96.6 | Very high | 97 | Very high | 34 Ų | 34 | 18.3 Ų | 18.3 | 18% | 0.178 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 150.8 | -177 | -58.1 | -172.5 | 0 | 0 | 0 | 111.2 | V84 L103 G106 D107 V160 H161 T163 | V84-L153 HydrophobicContact CG2-CD1 4.15Å; L103-L153 HydrophobicContact CB-CB 4.01Å; L103-L153 HydrophobicContact CB-CD1 4.19Å; L103-L153 HydrophobicContact CD1-CB 3.55Å; L103-L153 HydrophobicContact CD1-CD1 4.17Å; L103-L153 HydrophobicContact CD1-CG 4.45Å; L103-L153 HydrophobicContact CG-CB 4.43Å; G106-L153 CarbonylContact O-C 3.53Å; G106-L153 WeakPolarHBondContact O-CA 3.16Å; D107-L153 HydrophobicContact CB-CD2 3.58Å; L153-V160 CarbonylContact O-C 3.55Å; L153-V160 WeakPolarHBondContact O-CA 3.3Å; L153-H161 PolarHBondContact N-O 3.13Å; L153-H161 PolarHBondContact O-N 2.95Å; L153-T163 HydrophobicContact CD1-CG2 3.95Å; L153-T163 HydrophobicContact CD2-CG2 4.26Å; L153-T163 HydrophobicContact CG-CG2 3.74Å |
| 154 | L | 96.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139 | 173.6 | -68.1 | 169 | 0 | 0 | 0 | 111 | L103 G105 G106 L108 F126 G158 H159 V160 F298 P300 | L103-L154 WeakPolarHBondContact CB-O 3.5Å; G105-L154 WeakPolarHBondContact CA-O 3.4Å; G105-L154 PolarHBondContact N-O 2.72Å; G106-L154 PolarHBondContact O-N 2.8Å; L108-L154 HydrophobicContact CD2-CD1 3.74Å; L108-L154 HydrophobicContact CD2-CD2 4.11Å; L108-L154 HydrophobicContact CD2-CG 3.89Å; F126-L154 HydrophobicContact CE1-CD2 4.06Å; F126-L154 HydrophobicContact CZ-CD2 3.88Å; L154-G158 WeakPolarHBondContact CD2-O 3.29Å; L154-H159 WeakPolarHBondContact CA-O 3.48Å; L154-V160 HydrophobicContact CD2-CG1 3.51Å; L154-F298 HydrophobicContact CD1-CD1 3.96Å; L154-F298 HydrophobicContact CD1-CE1 3.74Å; L154-P300 HydrophobicContact CB-CG 3.88Å; L154-P300 HydrophobicContact CD1-CG 3.8Å; L154-P300 HydrophobicContact CG-CG 4.47Å |
| 155 | D | 94.1 | Very high | 96.6 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 4% | 0.043 | 10% | 0.102 | C | C | . | . | trans | -81.3 | 178.9 | 164.5 | 73 | 17.2 | 0 | 0 | 0 | 111.9 | L103 H157 G158 H159 H161 K292 | L103-D155 HydrophobicContact CD2-CB 3.83Å; D155-H157 PolarHBondContact O-N 2.97Å; D155-H157 WeakPolarHBondContact OD1-CA 3.37Å; D155-H157 WeakPolarHBondContact OD1-CB 3.29Å; D155-H157 PolarHBondContact OD1-N 3.09Å; D155-G158 PolarHBondContact O-N 2.82Å; D155-G158 VanDerWaalsContact O-N 3.08Å; D155-G158 PolarHBondContact OD1-N 2.82Å; D155-H159 PolarHBondContact N-O 3.04Å; D155-H159 IonicContact OD1-CD2 3.94Å; D155-H159 IonicContact OD1-CG 2.84Å; D155-H159 PolarHBondContact OD1-N 2.84Å; D155-H159 WeakPolarHBondContact OD2-CB 3.48Å; D155-H159 IonicContact OD2-CD2 2.74Å; D155-H159 PolarHBondContact OD2-CD2 2.89Å; D155-H159 IonicContact OD2-CG 2.72Å; D155-H161 IonicContact OD2-CE1 2.8Å; D155-H161 PolarHBondContact OD2-CE1 2.66Å; D155-K292 IonicContact OD2-NZ 3.57Å; D155-K292 PolarHBondContact OD2-NZ 3.35Å; D155-K292 VanDerWaalsContact OD2-NZ 3.14Å | ||
| 156 | E | 91 | Very high | 96.3 | Very high | 83 Ų | 83 | 22.1 Ų | 22.1 | 39% | 0.388 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -9.5 | -179.6 | 66.6 | -83.2 | -176.9 | 0 | 0 | 115.1 | ||
| 157 | H | 93.3 | Very high | 96.2 | Very high | 80 Ų | 80 | 23.9 Ų | 23.9 | 37% | 0.37 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -5.8 | 174.8 | -54.2 | 98.4 | 0 | 0 | 0 | 111.9 | D155 I295 | D155-H157 PolarHBondContact O-N 2.97Å; D155-H157 WeakPolarHBondContact OD1-CA 3.37Å; D155-H157 WeakPolarHBondContact OD1-CB 3.29Å; D155-H157 PolarHBondContact OD1-N 3.09Å; H157-I295 WeakPolarHBondContact O-CG2 3.46Å |
| 158 | G | 95.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | 90.6 | 12.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F126 L154 D155 P296 | F126-G158 WeakPolarHBondContact CE1-O 3.39Å; L154-G158 WeakPolarHBondContact CD2-O 3.29Å; D155-G158 PolarHBondContact O-N 2.82Å; D155-G158 VanDerWaalsContact O-N 3.08Å; D155-G158 PolarHBondContact OD1-N 2.82Å; G158-P296 WeakPolarHBondContact O-CG 3.19Å | ||
| 159 | H | 98.1 | Very high | 96 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.019 | 12% | 0.117 | C | C | . | . | trans | -76 | 140.1 | 174 | -57.4 | -74.6 | 0 | 0 | 0 | 111.1 | F82 E129 L154 D155 H161 K292 L294 | F82-H159 HydrophobicContact CE1-CB 4.42Å; E129-H159 IonicContact OE1-CE1 3.78Å; E129-H159 IonicContact OE1-CG 2.97Å; E129-H159 IonicContact OE1-ND1 2.66Å; E129-H159 PolarHBondContact OE1-ND1 2.86Å; E129-H159 WeakPolarHBondContact OE2-CA 3.31Å; L154-H159 WeakPolarHBondContact CA-O 3.48Å; D155-H159 PolarHBondContact N-O 3.04Å; D155-H159 IonicContact OD1-CD2 3.94Å; D155-H159 IonicContact OD1-CG 2.84Å; D155-H159 PolarHBondContact OD1-N 2.84Å; D155-H159 WeakPolarHBondContact OD2-CB 3.48Å; D155-H159 IonicContact OD2-CD2 2.74Å; D155-H159 PolarHBondContact OD2-CD2 2.89Å; D155-H159 IonicContact OD2-CG 2.72Å; H159-H161 PolarHBondContact O-CE1 3.15Å; H159-H161 PolarHBondContact O-ND1 2.99Å; H159-K292 PolarHBondContact NE2-O 3.39Å; H159-L294 PolarHBondContact CE1-O 2.92Å; H159-L294 VanDerWaalsContact CE1-O 3.31Å | ||
| 160 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 142.1 | -178.6 | -72 | 0 | 0 | 0 | 0 | 112.3 | F82 L108 F126 E129 L130 I152 L153 L154 | F82-V160 WeakPolarHBondContact CD1-O 3.32Å; L108-V160 HydrophobicContact CD1-CG1 4.18Å; L108-V160 HydrophobicContact CD2-CG1 4.47Å; F126-V160 HydrophobicContact CB-CG1 4.29Å; F126-V160 HydrophobicContact CB-CG2 4.02Å; F126-V160 HydrophobicContact CD1-CB 4.4Å; F126-V160 HydrophobicContact CD1-CG1 3.52Å; F126-V160 HydrophobicContact CD1-CG2 4Å; F126-V160 HydrophobicContact CD2-CG1 4.07Å; F126-V160 HydrophobicContact CE1-CG1 3.7Å; F126-V160 HydrophobicContact CE2-CG1 4.23Å; F126-V160 HydrophobicContact CG-CG1 3.71Å; F126-V160 HydrophobicContact CG-CG2 4.21Å; F126-V160 HydrophobicContact CZ-CG1 4.05Å; E129-V160 HydrophobicContact CB-CG2 3.76Å; E129-V160 WeakPolarHBondContact OE2-CG2 3.41Å; E129-V160 PolarHBondContact OE2-N 2.86Å; L130-V160 HydrophobicContact CD1-CG2 4.07Å; L130-V160 HydrophobicContact CD2-CB 4.28Å; L130-V160 HydrophobicContact CD2-CG2 3.92Å; L130-V160 HydrophobicContact CG-CB 4.43Å; L130-V160 HydrophobicContact CG-CG2 3.65Å; I152-V160 HydrophobicContact CG2-CB 3.63Å; I152-V160 HydrophobicContact CG2-CG1 3.76Å; L153-V160 CarbonylContact O-C 3.55Å; L153-V160 WeakPolarHBondContact O-CA 3.3Å; L154-V160 HydrophobicContact CD2-CG1 3.51Å |
| 161 | H | 98.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 2% | 0.023 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 134.9 | 179.4 | -57.7 | 68.4 | 0 | 0 | 0 | 110.8 | P81 F82 V84 L103 I152 L153 D155 H159 K292 | P81-H161 PolarHBondContact O-CD2 3.38Å; P81-H161 PolarHBondContact O-NE2 3.36Å; P81-H161 VanDerWaalsContact O-NE2 3.08Å; F82-H161 VanDerWaalsContact O-CA 3.3Å; F82-H161 WeakPolarHBondContact O-CA 3.13Å; V84-H161 HydrophobicContact CG2-CB 4.05Å; L103-H161 HydrophobicContact CD1-CB 3.42Å; L103-H161 VanDerWaalsContact CD1-CB 3.42Å; L103-H161 VanDerWaalsContact CD1-CG 3.44Å; I152-H161 CarbonylContact C-O 3.59Å; I152-H161 WeakPolarHBondContact CA-O 3.49Å; L153-H161 PolarHBondContact N-O 3.13Å; L153-H161 PolarHBondContact O-N 2.95Å; D155-H161 IonicContact OD2-CE1 2.8Å; D155-H161 PolarHBondContact OD2-CE1 2.66Å; H159-H161 PolarHBondContact O-CE1 3.15Å; H159-H161 PolarHBondContact O-ND1 2.99Å; H161-K292 PolarHBondContact CE1-NZ 3.1Å; H161-K292 PolarHBondContact NE2-NZ 3.22Å |
| 162 | I | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 134.3 | 173.6 | -52.7 | 175.4 | 0 | 0 | 0 | 109.1 | F82 L83 V84 L130 A133 L134 L137 H144 M147 F165 | F82-I162 PolarHBondContact O-N 3.34Å; L83-I162 HydrophobicContact CD2-CB 3.67Å; L83-I162 HydrophobicContact CD2-CD1 4.09Å; L83-I162 HydrophobicContact CD2-CG1 4.19Å; L83-I162 HydrophobicContact CD2-CG2 4.42Å; V84-I162 PolarHBondContact N-O 3.28Å; L130-I162 HydrophobicContact CD2-CD1 4.14Å; L130-I162 HydrophobicContact CD2-CG1 3.56Å; A133-I162 HydrophobicContact CB-CD1 3.63Å; A133-I162 HydrophobicContact CB-CG1 4.33Å; L134-I162 HydrophobicContact CD2-CD1 3.85Å; L134-I162 HydrophobicContact CG-CD1 4.38Å; L137-I162 HydrophobicContact CD1-CD1 4.45Å; H144-I162 WeakPolarHBondContact NE2-CG2 3.49Å; M147-I162 HydrophobicContact CE-CD1 3.66Å; M147-I162 HydrophobicContact CE-CG1 3.8Å; M147-I162 HydrophobicContact SD-CB 4.42Å; M147-I162 HydrophobicContact SD-CD1 3.71Å; M147-I162 HydrophobicContact SD-CG1 3.93Å; M147-I162 HydrophobicContact SD-CG2 3.66Å; I162-F165 HydrophobicContact CG2-CZ 4.49Å |
| 163 | T | 96.9 | Very high | 95 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | trans | -132.4 | 176.5 | 174.4 | -164.2 | 0 | 0 | 0 | 0 | 110.9 | H144 N151 L153 | H144-T163 PolarHBondContact NE2-O 3.42Å; N151-T163 PolarHBondContact O-N 3.46Å; L153-T163 HydrophobicContact CD1-CG2 3.95Å; L153-T163 HydrophobicContact CD2-CG2 4.26Å; L153-T163 HydrophobicContact CG-CG2 3.74Å | ||
| 164 | D | 93.5 | Very high | 94.5 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 25% | 0.246 | 22% | 0.22 | C | C | . | . | trans | 62.7 | 81.6 | 175.8 | -166.7 | -9.1 | 0 | 0 | 0 | 114.7 | H144 N166 | H144-D164 PolarHBondContact NE2-O 2.97Å; H144-D164 VanDerWaalsContact NE2-O 3.11Å; D164-N166 VanDerWaalsContact C-N 3.28Å; D164-N166 PolarHBondContact O-N 3.45Å; D164-N166 WeakPolarHBondContact OD1-CB 3.47Å; D164-N166 PolarHBondContact OD1-N 2.96Å; D164-N166 VanDerWaalsContact OD1-N 3.12Å; D164-N166 PolarHBondContact OD1-ND2 2.87Å; D164-N166 PolarHBondContact OD2-ND2 3.26Å | ||
| 165 | F | 96.2 | Very high | 94.2 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | trans | -89 | 17.1 | 177 | -72.4 | -97.7 | 0 | 0 | 0 | 113.2 | E71 I74 M75 L78 L83 L137 I142 H144 I162 I167 A168 | E71-F165 HydrophobicContact CG-CB 4.03Å; I74-F165 HydrophobicContact CG2-CD1 4.05Å; M75-F165 HydrophobicContact CE-CD2 4.39Å; M75-F165 HydrophobicContact CG-CB 4.23Å; M75-F165 HydrophobicContact CG-CD2 4.14Å; M75-F165 HydrophobicContact CG-CG 4.27Å; M75-F165 HydrophobicContact SD-CB 4.49Å; M75-F165 HydrophobicContact SD-CD2 4.29Å; L78-F165 HydrophobicContact CD1-CD1 4.29Å; L78-F165 HydrophobicContact CD1-CE1 3.75Å; L78-F165 HydrophobicContact CD1-CZ 4.02Å; L83-F165 HydrophobicContact CD1-CZ 4.37Å; L83-F165 HydrophobicContact CD2-CZ 4.01Å; L137-F165 HydrophobicContact CD1-CE1 4.1Å; L137-F165 HydrophobicContact CD1-CZ 4.34Å; L137-F165 HydrophobicContact CD2-CE1 3.71Å; L137-F165 HydrophobicContact CD2-CZ 4.04Å; I142-F165 HydrophobicContact CG2-CD1 4.49Å; I142-F165 HydrophobicContact CG2-CE1 4.43Å; H144-F165 AromaticContact CD2-CD1 3.93Å; H144-F165 AromaticContact CD2-CE1 3.81Å; I162-F165 HydrophobicContact CG2-CZ 4.49Å; F165-I167 PolarHBondContact O-N 3.01Å; F165-I167 VanDerWaalsContact O-N 3.11Å; F165-A168 HydrophobicContact CB-CB 3.95Å; F165-A168 HydrophobicContact CD1-CB 3.73Å; F165-A168 HydrophobicContact CG-CB 4.33Å; F165-A168 VanDerWaalsContact O-CB 3.32Å; F165-A168 WeakPolarHBondContact O-CB 3.38Å; F165-A168 PolarHBondContact O-N 3.27Å | ||
| 166 | N | 91.9 | Very high | 93.9 | Very high | 54 Ų | 54 | 53.7 Ų | 53.7 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -39.2 | -174.4 | -78.3 | -39.2 | 0 | 0 | 0 | 113.1 | K52 E71 D164 | K52-N166 PolarHBondContact NZ-OD1 3.26Å; E71-N166 PolarHBondContact OE1-OD1 3.43Å; E71-N166 PolarHBondContact OE2-OD1 2.92Å; D164-N166 VanDerWaalsContact C-N 3.28Å; D164-N166 PolarHBondContact O-N 3.45Å; D164-N166 WeakPolarHBondContact OD1-CB 3.47Å; D164-N166 PolarHBondContact OD1-N 2.96Å; D164-N166 VanDerWaalsContact OD1-N 3.12Å; D164-N166 PolarHBondContact OD1-ND2 2.87Å; D164-N166 PolarHBondContact OD2-ND2 3.26Å |
| 167 | I | 94.4 | Very high | 93.9 | Very high | 53 Ų | 53 | 50.6 Ų | 50.6 | 27% | 0.272 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 12.7 | 179.1 | 69.6 | 162.9 | 0 | 0 | 0 | 113.2 | R145 D146 F165 A181 | R145-I167 HydrophobicContact CB-CD1 4.08Å; R145-I167 HydrophobicContact CB-CG1 4.34Å; R145-I167 PolarHBondContact NE-O 3.01Å; R145-I167 PolarHBondContact NH2-O 2.99Å; D146-I167 HydrophobicContact CB-CD1 3.78Å; D146-I167 HydrophobicContact CB-CG1 3.9Å; F165-I167 PolarHBondContact O-N 3.01Å; F165-I167 VanDerWaalsContact O-N 3.11Å; I167-A181 HydrophobicContact CD1-CB 4.22Å |
| 168 | A | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | trans | -62.5 | 155.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K70 I74 I142 I143 F165 | K70-A168 WeakPolarHBondContact CE-O 3.3Å; K70-A168 PolarHBondContact NZ-O 3.07Å; I74-A168 HydrophobicContact CD1-CB 3.92Å; I142-A168 HydrophobicContact CG2-CB 4.22Å; I143-A168 CarbonylContact O-C 3.51Å; I143-A168 VanDerWaalsContact O-CA 3.25Å; I143-A168 WeakPolarHBondContact O-CA 3.45Å; F165-A168 HydrophobicContact CB-CB 3.95Å; F165-A168 HydrophobicContact CD1-CB 3.73Å; F165-A168 HydrophobicContact CG-CB 4.33Å; F165-A168 VanDerWaalsContact O-CB 3.32Å; F165-A168 WeakPolarHBondContact O-CB 3.38Å; F165-A168 PolarHBondContact O-N 3.27Å | ||
| 169 | A | 95.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 137.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I142 I143 I177 | I142-A169 WeakPolarHBondContact CA-O 3.37Å; I143-A169 PolarHBondContact N-O 3.3Å; I143-A169 PolarHBondContact O-N 2.89Å; A169-I177 HydrophobicContact CB-CD1 3.45Å; A169-I177 VanDerWaalsContact CB-CD1 3.45Å |
| 170 | M | 95.4 | Very high | 93.3 | Very high | 104 Ų | 104 | 60.3 Ų | 60.3 | 51% | 0.512 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.8 | 167.1 | -167.9 | 179.4 | -67.6 | 0 | 0 | 108.9 | R141 I142 P172 | R141-M170 CarbonylContact O-C 3.49Å; R141-M170 VanDerWaalsContact O-CA 3.31Å; R141-M170 WeakPolarHBondContact O-CA 3.4Å; I142-M170 HydrophobicContact CD1-CB 3.99Å; I142-M170 HydrophobicContact CD1-CE 4.26Å; I142-M170 HydrophobicContact CD1-CG 4.17Å; M170-P172 WeakPolarHBondContact O-CD 3.3Å |
| 171 | L | 93.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | trans | -108.9 | 100.6 | 179.3 | -175.5 | 72 | 0 | 0 | 0 | 110 | R141 I143 T175 I177 S201 F202 | R141-L171 PolarHBondContact NE-O 3.31Å; R141-L171 PolarHBondContact NH2-O 2.93Å; R141-L171 VanDerWaalsContact NH2-O 3.14Å; R141-L171 PolarHBondContact O-N 2.86Å; I143-L171 HydrophobicContact CD1-CB 4.16Å; I143-L171 HydrophobicContact CD1-CD2 4.1Å; I143-L171 HydrophobicContact CD1-CG 4.49Å; I143-L171 HydrophobicContact CG1-CB 4.26Å; L171-T175 WeakPolarHBondContact CD1-O 3.32Å; L171-I177 HydrophobicContact CD1-CD1 4.29Å; L171-I177 HydrophobicContact CD1-CG1 3.57Å; L171-S201 WeakPolarHBondContact CD2-OG 3.3Å; L171-F202 HydrophobicContact CB-CE1 4.18Å; L171-F202 HydrophobicContact CB-CZ 3.96Å; L171-F202 HydrophobicContact CD2-CD2 4.36Å; L171-F202 HydrophobicContact CD2-CE1 4.23Å; L171-F202 HydrophobicContact CD2-CE2 3.68Å; L171-F202 HydrophobicContact CD2-CZ 3.6Å; L171-F202 HydrophobicContact CG-CZ 4.29Å | ||
| 172 | P | 91.2 | Very high | 92.9 | Very high | 80 Ų | 80 | 62.6 Ų | 62.6 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | trans | -51.8 | 153.9 | 172 | -24.2 | 32.8 | 0 | 0 | 0 | 112 | R141 M170 T175 | R141-P172 PolarHBondContact NH2-O 3.03Å; M170-P172 WeakPolarHBondContact O-CD 3.3Å; P172-T175 HydrophobicContact CB-CG2 3.98Å; P172-T175 WeakPolarHBondContact CD-OG1 3.49Å; P172-T175 PolarHBondContact O-N 3.35Å; P172-T175 PolarHBondContact O-OG1 3.01Å | ||
| 173 | R | 88.6 | Confident | 92.8 | Very high | 198 Ų | 198 | 64.6 Ų | 64.6 | 75% | 0.747 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 143.7 | 176.5 | -68.1 | -177.3 | -176.4 | -88.8 | -1.8 | 109.9 | T175 | R173-T175 PolarHBondContact O-N 3.41Š|
| 174 | E | 84.6 | Confident | 92.8 | Very high | 203 Ų | 203 | 66.1 Ų | 66.1 | 95% | 0.949 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 17.2 | 176.4 | -56.6 | 174.3 | -172.1 | 0 | 0 | 115.1 | ||
| 175 | T | 90.1 | Very high | 93.1 | Very high | 61 Ų | 61 | 64.4 Ų | 64.4 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | trans | -110.7 | 162 | 173.3 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | L171 P172 R173 | L171-T175 WeakPolarHBondContact CD1-O 3.32Å; P172-T175 HydrophobicContact CB-CG2 3.98Å; P172-T175 WeakPolarHBondContact CD-OG1 3.49Å; P172-T175 PolarHBondContact O-N 3.35Å; P172-T175 PolarHBondContact O-OG1 3.01Å; R173-T175 PolarHBondContact O-N 3.41Å | ||
| 176 | Q | 88.3 | Confident | 93.2 | Very high | 116 Ų | 116 | 64.5 Ų | 64.5 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | trans | -126.7 | 150.8 | 172 | -61.7 | -172.3 | -38.6 | 0 | 0 | 110 | G199 | Q176-G199 VanDerWaalsContact OE1-N 3.09Š| ||
| 177 | I | 91.6 | Very high | 93.5 | Very high | 19 Ų | 19 | 62.2 Ų | 62.2 | 10% | 0.097 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -89.8 | 135.2 | 172 | -55.2 | -170.8 | 0 | 0 | 0 | 109.1 | I143 A169 L171 T179 G199 Y200 | I143-I177 HydrophobicContact CD1-CD1 3.7Å; I143-I177 HydrophobicContact CD1-CG1 4.22Å; A169-I177 HydrophobicContact CB-CD1 3.45Å; A169-I177 VanDerWaalsContact CB-CD1 3.45Å; L171-I177 HydrophobicContact CD1-CD1 4.29Å; L171-I177 HydrophobicContact CD1-CG1 3.57Å; I177-T179 VanDerWaalsContact CG2-OG1 3.28Å; I177-T179 WeakPolarHBondContact CG2-OG1 3.33Å; I177-G199 CarbonylContact O-C 3.51Å; I177-G199 WeakPolarHBondContact O-CA 3.43Å; I177-Y200 HydrophobicContact CB-CD2 4.35Å; I177-Y200 HydrophobicContact CB-CE1 4.15Å; I177-Y200 HydrophobicContact CB-CE2 3.84Å; I177-Y200 HydrophobicContact CG2-CE1 3.96Å; I177-Y200 HydrophobicContact CG2-CE2 4.04Å; I177-Y200 VanDerWaalsContact CG2-CZ 3.48Å; I177-Y200 WeakPolarHBondContact CG2-OH 3.31Å; I177-Y200 PolarHBondContact N-O 3.29Å; I177-Y200 VanDerWaalsContact N-O 3.09Å; I177-Y200 WeakPolarHBondContact O-CD1 3.47Å; I177-Y200 WeakPolarHBondContact O-CE1 3.38Å; I177-Y200 PolarHBondContact O-N 3.48Å |
| 178 | T | 91.2 | Very high | 93.7 | Very high | 105 Ų | 105 | 59.7 Ų | 59.7 | 64% | 0.644 | 31% | 0.313 | S | S | * | . | trans | -113.8 | -12.4 | 175.3 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | M180 | T178-M180 PolarHBondContact O-N 3.43Š| ||
| 179 | T | 91.4 | Very high | 93.7 | Very high | 83 Ų | 83 | 60.7 Ų | 60.7 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | trans | -68.2 | 127.4 | -179.9 | 58 | 0 | 0 | 0 | 0 | 111 | R145 I177 A181 Y200 | R145-T179 PolarHBondContact NH1-OG1 3.32Å; I177-T179 VanDerWaalsContact CG2-OG1 3.28Å; I177-T179 WeakPolarHBondContact CG2-OG1 3.33Å; T179-A181 PolarHBondContact O-N 3.47Å; T179-Y200 WeakPolarHBondContact O-CE1 3.45Å; T179-Y200 PolarHBondContact O-OH 3.2Å | ||
| 180 | M | 91.5 | Very high | 93.7 | Very high | 100 Ų | 100 | 61.8 Ų | 61.8 | 49% | 0.493 | 32% | 0.324 | S | S | . | . | trans | -79.1 | 106.5 | 175.9 | -173.2 | 75.9 | 67.8 | 0 | 0 | 109.7 | T178 M187 M191 F192 | T178-M180 PolarHBondContact O-N 3.43Å; M180-M187 HydrophobicContact CG-CE 3.96Å; M180-M187 HydrophobicContact SD-CE 3.25Å; M180-M187 WeakPolarHBondContact SD-CE 3.35Å; M180-M191 WeakPolarHBondContact CE-O 3.35Å; M180-M191 HydrophobicContact SD-CB 4.27Å; M180-F192 HydrophobicContact CE-CD1 3.97Å; M180-F192 HydrophobicContact CE-CE1 4.4Å; M180-F192 HydrophobicContact SD-CD1 4.18Å; M180-F192 HydrophobicContact SD-CE1 4.06Å | ||
| 181 | A | 93.4 | Very high | 93.7 | Very high | 24 Ų | 24 | 57.5 Ų | 57.5 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | trans | -144.5 | 142.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I167 T179 M187 M191 | I167-A181 HydrophobicContact CD1-CB 4.22Å; T179-A181 PolarHBondContact O-N 3.47Å; A181-M187 WeakPolarHBondContact O-CE 3.46Å; A181-M191 VanDerWaalsContact O-CE 3.3Å; A181-M191 WeakPolarHBondContact O-CE 3.38Å | ||
| 182 | G | 95.3 | Very high | 93.7 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 135.1 | 170.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | R145 K184 | R145-G182 WeakPolarHBondContact O-CA 3.15Å; G182-K184 PolarHBondContact O-N 2.9Å |
| 183 | T | 96.9 | Very high | 93.5 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | trans | -84.6 | 104 | 176.5 | -56.7 | 0 | 0 | 0 | 0 | 109.8 | D146 K148 P185 Y186 M187 | D146-T183 WeakPolarHBondContact OD1-CB 3.46Å; D146-T183 PolarHBondContact OD1-N 2.96Å; D146-T183 PolarHBondContact OD1-OG1 2.86Å; K148-T183 HydrophobicContact CD-CG2 4.3Å; K148-T183 PolarHBondContact NZ-OG1 3.23Å; T183-P185 VanDerWaalsContact C-N 3.32Å; T183-P185 VanDerWaalsContact O-CD 3.3Å; T183-P185 WeakPolarHBondContact O-CD 3.32Å; T183-Y186 HydrophobicContact CG2-CD2 3.87Å; T183-Y186 HydrophobicContact CG2-CE2 4.19Å; T183-Y186 PolarHBondContact O-N 3.45Å; T183-M187 PolarHBondContact O-N 3.43Å | ||
| 184 | K | 97.8 | Very high | 92.8 | Very high | 61 Ų | 61 | 52.6 Ų | 52.6 | 27% | 0.265 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -36.1 | -46.1 | -171 | -69.4 | -175.5 | -178 | 173.5 | 0 | 116.9 | G182 Y186 M187 I225 S227 T229 I234 | G182-K184 PolarHBondContact O-N 2.9Å; K184-Y186 PolarHBondContact O-N 2.93Å; K184-M187 VanDerWaalsContact CA-SD 3.57Å; K184-M187 HydrophobicContact CB-SD 4.42Å; K184-M187 HydrophobicContact CG-SD 4.14Å; K184-M187 PolarHBondContact O-N 2.85Å; K184-I225 HydrophobicContact CB-CG2 4Å; K184-S227 WeakPolarHBondContact CD-O 3.5Å; K184-S227 WeakPolarHBondContact CE-O 3.35Å; K184-S227 PolarHBondContact NZ-O 3.38Å; K184-T229 PolarHBondContact NZ-O 3.15Å; K184-I234 HydrophobicContact CB-CD1 4.34Å; K184-I234 HydrophobicContact CD-CD1 4.03Å; K184-I234 HydrophobicContact CG-CD1 4.47Å |
| 185 | P | 98.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 7% | 0.065 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -65.3 | -15 | -179.6 | -20.9 | 34.4 | 0 | 0 | 0 | 116 | T183 I225 | T183-P185 VanDerWaalsContact C-N 3.32Å; T183-P185 VanDerWaalsContact O-CD 3.3Å; T183-P185 WeakPolarHBondContact O-CD 3.32Å; P185-I225 HydrophobicContact CB-CB 4.24Å; P185-I225 HydrophobicContact CB-CG2 4.37Å; P185-I225 HydrophobicContact CG-CB 4.43Å; P185-I225 HydrophobicContact CG-CG2 4.18Å; P185-I225 VanDerWaalsContact CG-O 3.31Å; P185-I225 WeakPolarHBondContact CG-O 3.3Å |
| 186 | Y | 98.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 60 Ų | 60 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -106.7 | -12.6 | 177 | -59.1 | -88.3 | 0 | 0 | 0 | 112.4 | R109 K148 T183 K184 S208 V211 E215 | R109-Y186 PolarHBondContact NH2-OH 2.8Å; K148-Y186 HydrophobicContact CB-CD1 3.97Å; K148-Y186 HydrophobicContact CB-CD2 3.81Å; K148-Y186 HydrophobicContact CB-CE1 3.94Å; K148-Y186 HydrophobicContact CB-CE2 3.76Å; K148-Y186 HydrophobicContact CB-CG 3.94Å; T183-Y186 HydrophobicContact CG2-CD2 3.87Å; T183-Y186 HydrophobicContact CG2-CE2 4.19Å; T183-Y186 PolarHBondContact O-N 3.45Å; K184-Y186 PolarHBondContact O-N 2.93Å; Y186-S208 PolarHBondContact O-OG 2.97Å; Y186-V211 HydrophobicContact CD1-CB 3.97Å; Y186-V211 HydrophobicContact CD1-CG1 3.42Å; Y186-V211 VanDerWaalsContact CD1-CG1 3.42Å; Y186-V211 HydrophobicContact CE1-CG1 3.69Å; Y186-V211 HydrophobicContact CG-CG1 4.24Å; Y186-E215 WeakPolarHBondContact CE1-OE2 3.1Å; Y186-E215 PolarHBondContact OH-OE1 3.28Å; Y186-E215 PolarHBondContact OH-OE2 3.23Å |
| 187 | M | 98.4 | Very high | 90.5 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.03 | 33% | 0.329 | C | S | . | . | trans | -68.4 | 140.9 | -177.2 | -66.9 | 175.3 | 76.7 | 0 | 0 | 111.5 | M180 A181 T183 K184 M191 F192 W207 | M180-M187 HydrophobicContact CG-CE 3.96Å; M180-M187 HydrophobicContact SD-CE 3.25Å; M180-M187 WeakPolarHBondContact SD-CE 3.35Å; A181-M187 WeakPolarHBondContact O-CE 3.46Å; T183-M187 PolarHBondContact O-N 3.43Å; K184-M187 VanDerWaalsContact CA-SD 3.57Å; K184-M187 HydrophobicContact CB-SD 4.42Å; K184-M187 HydrophobicContact CG-SD 4.14Å; K184-M187 PolarHBondContact O-N 2.85Å; M187-M191 HydrophobicContact CB-SD 3.75Å; M187-M191 HydrophobicContact CE-CB 4.19Å; M187-M191 HydrophobicContact CE-CE 3.49Å; M187-M191 VanDerWaalsContact CE-CE 3.49Å; M187-M191 HydrophobicContact CE-SD 3.79Å; M187-M191 HydrophobicContact CG-SD 4.04Å; M187-F192 HydrophobicContact CB-CE2 3.59Å; M187-F192 HydrophobicContact CB-CZ 3.69Å; M187-F192 HydrophobicContact CE-CZ 4.29Å; M187-F192 HydrophobicContact CG-CZ 4.43Å; M187-F192 HydrophobicContact SD-CZ 3.97Å; M187-W207 PolarHBondContact O-NE1 3.01Å | ||
| 188 | A | 98.1 | Very high | 90 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -74.9 | 154.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E190 M191 F192 V204 W207 | A188-E190 VanDerWaalsContact C-N 3.3Å; A188-E190 VanDerWaalsContact CB-CD 3.46Å; A188-E190 HydrophobicContact CB-CG 4.49Å; A188-E190 WeakPolarHBondContact CB-OE1 3.4Å; A188-E190 VanDerWaalsContact CB-OE2 3.27Å; A188-E190 WeakPolarHBondContact CB-OE2 3.4Å; A188-E190 PolarHBondContact O-N 3.39Å; A188-M191 HydrophobicContact CB-CG 4.37Å; A188-M191 WeakPolarHBondContact O-CB 3.42Å; A188-M191 WeakPolarHBondContact O-CG 3.32Å; A188-M191 PolarHBondContact O-N 2.9Å; A188-M191 VanDerWaalsContact O-N 3.12Å; A188-F192 WeakPolarHBondContact O-CD2 3.33Å; A188-V204 HydrophobicContact CB-CB 4.11Å; A188-V204 HydrophobicContact CB-CG1 3.99Å; A188-W207 VanDerWaalsContact CA-CD1 3.44Å; A188-W207 HydrophobicContact CB-CB 3.78Å; A188-W207 HydrophobicContact CB-CD2 4.18Å; A188-W207 HydrophobicContact CB-CG 3.6Å | ||
| 189 | P | 97 | Very high | 89.9 | Confident | 21 Ų | 21 | 54.6 Ų | 54.6 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -56.2 | -40.1 | -176.9 | -24.7 | 33.3 | 0 | 0 | 0 | 114 | M191 F192 W207 F238 L263 | P189-M191 PolarHBondContact O-N 2.97Å; P189-M191 VanDerWaalsContact O-N 3.15Å; P189-F192 PolarHBondContact O-N 2.81Å; P189-W207 HydrophobicContact CG-CE3 4.4Å; P189-W207 HydrophobicContact CG-CH2 3.74Å; P189-W207 HydrophobicContact CG-CZ2 4.01Å; P189-W207 HydrophobicContact CG-CZ3 3.93Å; P189-F238 HydrophobicContact CB-CD2 3.68Å; P189-F238 HydrophobicContact CB-CE2 3.98Å; P189-F238 HydrophobicContact CB-CG 4.1Å; P189-F238 HydrophobicContact CG-CD1 4.08Å; P189-F238 HydrophobicContact CG-CD2 3.84Å; P189-F238 HydrophobicContact CG-CE1 4.23Å; P189-F238 HydrophobicContact CG-CE2 3.95Å; P189-F238 HydrophobicContact CG-CG 3.91Å; P189-F238 HydrophobicContact CG-CZ 4.15Å; P189-L263 HydrophobicContact CB-CD2 4.49Å; P189-L263 HydrophobicContact CG-CD2 3.6Å |
| 190 | E | 96.1 | Very high | 90 | Very high | 29 Ų | 29 | 51 Ų | 51 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -61.6 | -24.4 | -178.4 | 64.3 | -88.7 | -156.1 | 0 | 0 | 113.1 | A188 F192 S193 V204 P265 R268 | A188-E190 VanDerWaalsContact C-N 3.3Å; A188-E190 VanDerWaalsContact CB-CD 3.46Å; A188-E190 HydrophobicContact CB-CG 4.49Å; A188-E190 WeakPolarHBondContact CB-OE1 3.4Å; A188-E190 VanDerWaalsContact CB-OE2 3.27Å; A188-E190 WeakPolarHBondContact CB-OE2 3.4Å; A188-E190 PolarHBondContact O-N 3.39Å; E190-F192 PolarHBondContact O-N 3.17Å; E190-S193 WeakPolarHBondContact O-CB 3.48Å; E190-S193 PolarHBondContact O-N 3.37Å; E190-V204 HydrophobicContact CG-CG1 4.25Å; E190-V204 WeakPolarHBondContact OE1-CG1 3.49Å; E190-P265 HydrophobicContact CB-CG 4.39Å; E190-P265 HydrophobicContact CG-CG 4.42Å; E190-R268 IonicContact OE1-CZ 3.46Å; E190-R268 IonicContact OE1-NH1 2.62Å; E190-R268 PolarHBondContact OE1-NH1 2.75Å; E190-R268 IonicContact OE1-NH2 3.94Å; E190-R268 IonicContact OE2-CZ 3.58Å; E190-R268 IonicContact OE2-NH1 3.43Å; E190-R268 PolarHBondContact OE2-NH1 2.79Å; E190-R268 IonicContact OE2-NH2 2.7Å; E190-R268 PolarHBondContact OE2-NH2 2.9Å |
| 191 | M | 95.9 | Very high | 90.3 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 7% | 0.069 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -67 | -25.8 | 176.7 | -55.2 | -177.3 | 81 | 0 | 0 | 111.9 | M180 A181 M187 A188 P189 Y200 V204 | M180-M191 WeakPolarHBondContact CE-O 3.35Å; M180-M191 HydrophobicContact SD-CB 4.27Å; A181-M191 VanDerWaalsContact O-CE 3.3Å; A181-M191 WeakPolarHBondContact O-CE 3.38Å; M187-M191 HydrophobicContact CB-SD 3.75Å; M187-M191 HydrophobicContact CE-CB 4.19Å; M187-M191 HydrophobicContact CE-CE 3.49Å; M187-M191 VanDerWaalsContact CE-CE 3.49Å; M187-M191 HydrophobicContact CE-SD 3.79Å; M187-M191 HydrophobicContact CG-SD 4.04Å; A188-M191 HydrophobicContact CB-CG 4.37Å; A188-M191 WeakPolarHBondContact O-CB 3.42Å; A188-M191 WeakPolarHBondContact O-CG 3.32Å; A188-M191 PolarHBondContact O-N 2.9Å; A188-M191 VanDerWaalsContact O-N 3.12Å; P189-M191 PolarHBondContact O-N 2.97Å; P189-M191 VanDerWaalsContact O-N 3.15Å; M191-Y200 HydrophobicContact CB-CD1 4.42Å; M191-Y200 HydrophobicContact CE-CD1 4.35Å; M191-Y200 HydrophobicContact CE-CD2 4.41Å; M191-Y200 HydrophobicContact CE-CE1 3.85Å; M191-Y200 HydrophobicContact CE-CE2 3.91Å; M191-Y200 HydrophobicContact CG-CD1 3.99Å; M191-Y200 HydrophobicContact CG-CE1 4.37Å; M191-Y200 HydrophobicContact CG-CG 4.11Å; M191-V204 HydrophobicContact CG-CG1 3.86Å; M191-V204 HydrophobicContact SD-CB 4.19Å; M191-V204 HydrophobicContact SD-CG1 4.04Å |
| 192 | F | 94.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -95.5 | 1.2 | -179.2 | -57.6 | -83 | 0 | 0 | 0 | 113.9 | M180 M187 A188 P189 E190 S194 I234 V235 F238 | M180-F192 HydrophobicContact CE-CD1 3.97Å; M180-F192 HydrophobicContact CE-CE1 4.4Å; M180-F192 HydrophobicContact SD-CD1 4.18Å; M180-F192 HydrophobicContact SD-CE1 4.06Å; M187-F192 HydrophobicContact CB-CE2 3.59Å; M187-F192 HydrophobicContact CB-CZ 3.69Å; M187-F192 HydrophobicContact CE-CZ 4.29Å; M187-F192 HydrophobicContact CG-CZ 4.43Å; M187-F192 HydrophobicContact SD-CZ 3.97Å; A188-F192 WeakPolarHBondContact O-CD2 3.33Å; P189-F192 PolarHBondContact O-N 2.81Å; E190-F192 PolarHBondContact O-N 3.17Å; F192-S194 PolarHBondContact O-N 2.98Å; F192-I234 HydrophobicContact CD1-CB 4.5Å; F192-I234 HydrophobicContact CD1-CD1 4.25Å; F192-I234 HydrophobicContact CD1-CG2 4.18Å; F192-I234 HydrophobicContact CD2-CG2 3.69Å; F192-I234 HydrophobicContact CE1-CD1 3.61Å; F192-I234 HydrophobicContact CE1-CG2 4.2Å; F192-I234 HydrophobicContact CE2-CG2 3.71Å; F192-I234 HydrophobicContact CG-CG2 3.93Å; F192-I234 HydrophobicContact CZ-CD1 3.81Å; F192-I234 HydrophobicContact CZ-CG2 3.97Å; F192-V235 HydrophobicContact CB-CG2 3.71Å; F192-F238 HydrophobicContact CD2-CE2 4Å; F192-F238 HydrophobicContact CE2-CE2 4.2Å |
| 193 | S | 85.8 | Confident | 90.6 | Very high | 50 Ų | 50 | 47 Ų | 47 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | trans | -61.3 | 124.2 | 178.5 | -174.6 | 0 | 0 | 0 | 0 | 110.9 | E190 R195 | E190-S193 WeakPolarHBondContact O-CB 3.48Å; E190-S193 PolarHBondContact O-N 3.37Å; S193-R195 VanDerWaalsContact C-N 3.27Å; S193-R195 PolarHBondContact OG-N 2.86Å | ||
| 194 | S | 75.1 | Confident | 90.7 | Very high | 121 Ų | 121 | 45.1 Ų | 45.1 | 85% | 0.846 | 26% | 0.256 | S | S | * | . | trans | -86.8 | 5.8 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 113.1 | F192 K196 | F192-S194 PolarHBondContact O-N 2.98Å; S194-K196 PolarHBondContact O-N 3.28Å | ||
| 195 | R | 77.1 | Confident | 90.7 | Very high | 204 Ų | 204 | 42.4 Ų | 42.4 | 77% | 0.77 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -70.3 | 126.4 | -179.7 | -65 | -176.6 | -176 | 177.8 | 2.5 | 109.6 | S193 G197 A198 | S193-R195 VanDerWaalsContact C-N 3.27Å; S193-R195 PolarHBondContact OG-N 2.86Å; R195-G197 PolarHBondContact O-N 3.19Å; R195-A198 HydrophobicContact CB-CB 4Å; R195-A198 VanDerWaalsContact O-CB 3.27Å; R195-A198 WeakPolarHBondContact O-CB 3.48Å; R195-A198 PolarHBondContact O-N 2.9Å |
| 196 | K | 67.8 | Low | 90.8 | Very high | 215 Ų | 215 | 42 Ų | 42 | 94% | 0.935 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 130.1 | 175 | -72.2 | -175.3 | 178.3 | -179.1 | 0 | 109.7 | S194 A198 | S194-K196 PolarHBondContact O-N 3.28Å; K196-A198 VanDerWaalsContact C-N 3.3Å |
| 197 | G | 68.1 | Low | 90.8 | Very high | 74 Ų | 74 | 41.8 Ų | 41.8 | 76% | 0.763 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -0.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R195 | R195-G197 PolarHBondContact O-N 3.19Š|
| 198 | A | 80.9 | Confident | 90.8 | Very high | 39 Ų | 39 | 41.7 Ų | 41.7 | 32% | 0.322 | 24% | 0.241 | S | C | . | . | trans | -77.3 | 123.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | R195 K196 | R195-A198 HydrophobicContact CB-CB 4Å; R195-A198 VanDerWaalsContact O-CB 3.27Å; R195-A198 WeakPolarHBondContact O-CB 3.48Å; R195-A198 PolarHBondContact O-N 2.9Å; K196-A198 VanDerWaalsContact C-N 3.3Å | ||
| 199 | G | 89.6 | Confident | 90.9 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | trans | -124.3 | -178.4 | 164 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q176 I177 | Q176-G199 VanDerWaalsContact OE1-N 3.09Å; I177-G199 CarbonylContact O-C 3.51Å; I177-G199 WeakPolarHBondContact O-CA 3.43Å | ||
| 200 | Y | 94.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -123.7 | 166.4 | 177.6 | 63.3 | -93.5 | 0 | 0 | 0 | 111.1 | R145 I177 T179 M191 V204 | R145-Y200 VanDerWaalsContact CD-OH 3.29Å; R145-Y200 WeakPolarHBondContact CD-OH 3.47Å; R145-Y200 HydrophobicContact CG-CE2 4.42Å; R145-Y200 PolarHBondContact NH1-OH 2.92Å; I177-Y200 HydrophobicContact CB-CD2 4.35Å; I177-Y200 HydrophobicContact CB-CE1 4.15Å; I177-Y200 HydrophobicContact CB-CE2 3.84Å; I177-Y200 HydrophobicContact CG2-CE1 3.96Å; I177-Y200 HydrophobicContact CG2-CE2 4.04Å; I177-Y200 VanDerWaalsContact CG2-CZ 3.48Å; I177-Y200 WeakPolarHBondContact CG2-OH 3.31Å; I177-Y200 PolarHBondContact N-O 3.29Å; I177-Y200 VanDerWaalsContact N-O 3.09Å; I177-Y200 WeakPolarHBondContact O-CD1 3.47Å; I177-Y200 WeakPolarHBondContact O-CE1 3.38Å; I177-Y200 PolarHBondContact O-N 3.48Å; T179-Y200 WeakPolarHBondContact O-CE1 3.45Å; T179-Y200 PolarHBondContact O-OH 3.2Å; M191-Y200 HydrophobicContact CB-CD1 4.42Å; M191-Y200 HydrophobicContact CE-CD1 4.35Å; M191-Y200 HydrophobicContact CE-CD2 4.41Å; M191-Y200 HydrophobicContact CE-CE1 3.85Å; M191-Y200 HydrophobicContact CE-CE2 3.91Å; M191-Y200 HydrophobicContact CG-CD1 3.99Å; M191-Y200 HydrophobicContact CG-CE1 4.37Å; M191-Y200 HydrophobicContact CG-CG 4.11Å; Y200-V204 HydrophobicContact CD2-CB 4.46Å; Y200-V204 HydrophobicContact CD2-CG1 3.6Å; Y200-V204 HydrophobicContact CD2-CG2 4.05Å; Y200-V204 HydrophobicContact CE2-CG2 4.37Å; Y200-V204 HydrophobicContact CG-CG1 3.87Å |
| 201 | S | 96.3 | Very high | 91.1 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | trans | -137.1 | -160.5 | -176.8 | -168 | 0 | 0 | 0 | 0 | 109.7 | L171 A203 V204 | L171-S201 WeakPolarHBondContact CD2-OG 3.3Å; S201-A203 PolarHBondContact O-N 3.29Å; S201-A203 VanDerWaalsContact O-N 3.13Å; S201-V204 WeakPolarHBondContact O-CG2 3.39Å; S201-V204 PolarHBondContact O-N 3.28Å | ||
| 202 | F | 97.8 | Very high | 91.2 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 6% | 0.057 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -28 | -173.2 | -50.6 | -75.4 | 0 | 0 | 0 | 114.8 | Q138 R141 I143 L171 V204 D205 | Q138-F202 HydrophobicContact CB-CB 4.38Å; Q138-F202 HydrophobicContact CB-CD1 4.02Å; Q138-F202 HydrophobicContact CB-CG 4.11Å; Q138-F202 HydrophobicContact CG-CB 4.06Å; Q138-F202 HydrophobicContact CG-CD1 3.96Å; Q138-F202 HydrophobicContact CG-CD2 3.78Å; Q138-F202 HydrophobicContact CG-CE1 4.41Å; Q138-F202 HydrophobicContact CG-CE2 4.24Å; Q138-F202 HydrophobicContact CG-CG 3.64Å; R141-F202 VanDerWaalsContact CZ-CZ 3.44Å; I143-F202 HydrophobicContact CD1-CD1 4.49Å; I143-F202 HydrophobicContact CG1-CD1 3.67Å; I143-F202 HydrophobicContact CG1-CE1 3.83Å; L171-F202 HydrophobicContact CB-CE1 4.18Å; L171-F202 HydrophobicContact CB-CZ 3.96Å; L171-F202 HydrophobicContact CD2-CD2 4.36Å; L171-F202 HydrophobicContact CD2-CE1 4.23Å; L171-F202 HydrophobicContact CD2-CE2 3.68Å; L171-F202 HydrophobicContact CD2-CZ 3.6Å; L171-F202 HydrophobicContact CG-CZ 4.29Å; F202-V204 PolarHBondContact O-N 3.33Å; F202-D205 PolarHBondContact O-N 2.94Å; F202-D205 VanDerWaalsContact O-N 3.08Å |
| 203 | A | 98.1 | Very high | 91.4 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.2 | -16.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S201 D205 W207 P265 R268 | S201-A203 PolarHBondContact O-N 3.29Å; S201-A203 VanDerWaalsContact O-N 3.13Å; A203-D205 VanDerWaalsContact C-N 3.35Å; A203-W207 PolarHBondContact O-N 2.84Å; A203-P265 HydrophobicContact CB-CB 4.03Å; A203-R268 PolarHBondContact O-NH1 3.13Å |
| 204 | V | 98.5 | Very high | 92 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.8 | -32.7 | 176.2 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | I143 A188 E190 M191 Y200 S201 F202 S208 | I143-V204 HydrophobicContact CG2-CG2 3.59Å; A188-V204 HydrophobicContact CB-CB 4.11Å; A188-V204 HydrophobicContact CB-CG1 3.99Å; E190-V204 HydrophobicContact CG-CG1 4.25Å; E190-V204 WeakPolarHBondContact OE1-CG1 3.49Å; M191-V204 HydrophobicContact CG-CG1 3.86Å; M191-V204 HydrophobicContact SD-CB 4.19Å; M191-V204 HydrophobicContact SD-CG1 4.04Å; Y200-V204 HydrophobicContact CD2-CB 4.46Å; Y200-V204 HydrophobicContact CD2-CG1 3.6Å; Y200-V204 HydrophobicContact CD2-CG2 4.05Å; Y200-V204 HydrophobicContact CE2-CG2 4.37Å; Y200-V204 HydrophobicContact CG-CG1 3.87Å; S201-V204 WeakPolarHBondContact O-CG2 3.39Å; S201-V204 PolarHBondContact O-N 3.28Å; F202-V204 PolarHBondContact O-N 3.33Å; V204-S208 WeakPolarHBondContact O-CB 3.36Å; V204-S208 PolarHBondContact O-N 3.08Å; V204-S208 VanDerWaalsContact O-N 3.1Å; V204-S208 PolarHBondContact O-OG 3.11Å |
| 205 | D | 98.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.2 | -35.1 | 179.6 | -70.5 | -28.3 | 0 | 0 | 0 | 110.8 | L134 I143 H144 R145 M147 F202 A203 S208 L209 | L134-D205 HydrophobicContact CD1-CB 4.19Å; L134-D205 HydrophobicContact CD2-CB 3.76Å; I143-D205 VanDerWaalsContact CG2-OD2 3.32Å; I143-D205 WeakPolarHBondContact CG2-OD2 3.42Å; H144-D205 PolarHBondContact N-OD2 2.91Å; R145-D205 WeakPolarHBondContact CA-OD1 3.42Å; R145-D205 PolarHBondContact N-OD1 2.89Å; M147-D205 HydrophobicContact CG-CB 4.23Å; F202-D205 PolarHBondContact O-N 2.94Å; F202-D205 VanDerWaalsContact O-N 3.08Å; A203-D205 VanDerWaalsContact C-N 3.35Å; D205-S208 WeakPolarHBondContact O-CB 3.37Å; D205-S208 PolarHBondContact O-N 3.46Å; D205-L209 PolarHBondContact O-N 3.31Å |
| 206 | W | 98.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.1 | -39.1 | 175.1 | -63.6 | 81 | 0 | 0 | 0 | 112.5 | V131 L134 D135 L209 G210 L260 F269 S270 Q271 V275 | V131-W206 HydrophobicContact CB-CH2 3.84Å; V131-W206 HydrophobicContact CB-CZ3 3.73Å; V131-W206 HydrophobicContact CG1-CE3 4.15Å; V131-W206 HydrophobicContact CG1-CH2 4.19Å; V131-W206 HydrophobicContact CG1-CZ3 3.56Å; L134-W206 HydrophobicContact CB-CZ2 4.15Å; L134-W206 HydrophobicContact CD1-CD2 4.34Å; L134-W206 HydrophobicContact CD1-CG 4.35Å; D135-W206 HydrophobicContact CB-CZ2 4.37Å; W206-L209 WeakPolarHBondContact O-CB 3.34Å; W206-L209 PolarHBondContact O-N 2.87Å; W206-G210 PolarHBondContact O-N 2.99Å; W206-L260 HydrophobicContact CB-CD2 4.42Å; W206-L260 HydrophobicContact CE3-CD2 4.06Å; W206-F269 WeakPolarHBondContact CB-O 3.14Å; W206-S270 VanDerWaalsContact CZ2-C 3.45Å; W206-S270 PolarHBondContact NE1-O 3.01Å; W206-Q271 WeakPolarHBondContact CH2-O 3.24Å; W206-V275 HydrophobicContact CZ3-CG2 3.81Å |
| 207 | W | 98.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.9 | -48.7 | 170.2 | 170.3 | -84.9 | 0 | 0 | 0 | 111.5 | M187 A188 P189 A203 L209 G210 V211 Y223 F238 L260 L261 E262 L263 | M187-W207 PolarHBondContact O-NE1 3.01Å; A188-W207 VanDerWaalsContact CA-CD1 3.44Å; A188-W207 HydrophobicContact CB-CB 3.78Å; A188-W207 HydrophobicContact CB-CD2 4.18Å; A188-W207 HydrophobicContact CB-CG 3.6Å; P189-W207 HydrophobicContact CG-CE3 4.4Å; P189-W207 HydrophobicContact CG-CH2 3.74Å; P189-W207 HydrophobicContact CG-CZ2 4.01Å; P189-W207 HydrophobicContact CG-CZ3 3.93Å; A203-W207 PolarHBondContact O-N 2.84Å; W207-L209 VanDerWaalsContact C-N 3.26Å; W207-L209 PolarHBondContact O-N 3.45Å; W207-G210 CarbonylContact O-C 3.34Å; W207-G210 WeakPolarHBondContact O-CA 3.36Å; W207-G210 PolarHBondContact O-N 2.95Å; W207-V211 PolarHBondContact O-N 3.06Å; W207-Y223 AromaticContact CH2-CE2 3.87Å; W207-Y223 HydrophobicContact CH2-CE2 3.87Å; W207-Y223 HydrophobicContact CZ2-CD2 4.36Å; W207-Y223 AromaticContact CZ2-CE2 3.72Å; W207-Y223 HydrophobicContact CZ2-CE2 3.72Å; W207-F238 HydrophobicContact CH2-CD1 4.33Å; W207-F238 HydrophobicContact CH2-CE1 4.14Å; W207-F238 HydrophobicContact CZ2-CD1 4.22Å; W207-F238 AromaticContact CZ2-CE1 3.58Å; W207-F238 HydrophobicContact CZ2-CE1 3.58Å; W207-F238 HydrophobicContact CZ2-CZ 4.12Å; W207-L260 WeakPolarHBondContact CA-O 3.41Å; W207-L261 HydrophobicContact CD2-CD2 4.21Å; W207-L261 HydrophobicContact CE3-CD2 4.32Å; W207-L261 HydrophobicContact CH2-CD2 4.38Å; W207-L261 HydrophobicContact CZ2-CD2 4.27Å; W207-L261 HydrophobicContact CZ3-CB 4.29Å; W207-L261 HydrophobicContact CZ3-CD2 4.43Å; W207-L261 VanDerWaalsContact CZ3-O 3.23Å; W207-L261 WeakPolarHBondContact CZ3-O 3.38Å; W207-E262 WeakPolarHBondContact CZ3-O 3.33Å; W207-L263 HydrophobicContact CH2-CD2 3.62Å; W207-L263 HydrophobicContact CZ3-CD2 3.88Å |
| 208 | S | 98.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 13.2 Ų | 13.2 | 3% | 0.028 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62 | -35.9 | -179.3 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | M147 Y186 V204 D205 V211 T212 | M147-S208 WeakPolarHBondContact O-CB 3.5Å; Y186-S208 PolarHBondContact O-OG 2.97Å; V204-S208 WeakPolarHBondContact O-CB 3.36Å; V204-S208 PolarHBondContact O-N 3.08Å; V204-S208 VanDerWaalsContact O-N 3.1Å; V204-S208 PolarHBondContact O-OG 3.11Å; D205-S208 WeakPolarHBondContact O-CB 3.37Å; D205-S208 PolarHBondContact O-N 3.46Å; S208-V211 PolarHBondContact O-N 3.26Å; S208-T212 WeakPolarHBondContact O-CB 3.27Å; S208-T212 PolarHBondContact O-N 3.38Å; S208-T212 PolarHBondContact O-OG1 3.48Å |
| 209 | L | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 169.1 | 174.5 | 61.5 | 0 | 0 | 0 | 111.6 | I127 L130 V131 L134 D205 W206 W207 V211 T212 A213 | I127-L209 HydrophobicContact CG2-CD2 4.46Å; L130-L209 HydrophobicContact CB-CD1 3.9Å; L130-L209 HydrophobicContact CB-CD2 4.24Å; L130-L209 HydrophobicContact CD1-CD1 3.52Å; L130-L209 HydrophobicContact CG-CD1 4.36Å; V131-L209 HydrophobicContact CG1-CD2 3.51Å; L134-L209 HydrophobicContact CD1-CB 4.22Å; L134-L209 HydrophobicContact CD1-CD2 4.02Å; D205-L209 PolarHBondContact O-N 3.31Å; W206-L209 WeakPolarHBondContact O-CB 3.34Å; W206-L209 PolarHBondContact O-N 2.87Å; W207-L209 VanDerWaalsContact C-N 3.26Å; W207-L209 PolarHBondContact O-N 3.45Å; L209-V211 PolarHBondContact O-N 3.32Å; L209-T212 WeakPolarHBondContact O-CB 3.49Å; L209-T212 PolarHBondContact O-N 3.09Å; L209-A213 WeakPolarHBondContact O-CB 3.38Å; L209-A213 PolarHBondContact O-N 2.86Å |
| 210 | G | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | W206 W207 T212 Y214 | W206-G210 PolarHBondContact O-N 2.99Å; W207-G210 CarbonylContact O-C 3.34Å; W207-G210 WeakPolarHBondContact O-CA 3.36Å; W207-G210 PolarHBondContact O-N 2.95Å; G210-T212 VanDerWaalsContact C-N 3.34Å; G210-T212 PolarHBondContact O-N 3.11Å; G210-Y214 WeakPolarHBondContact O-CB 3.46Å; G210-Y214 PolarHBondContact O-N 2.94Å |
| 211 | V | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62 | -44.3 | 175.9 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | Y186 W207 S208 L209 E215 R221 P222 L261 | Y186-V211 HydrophobicContact CD1-CB 3.97Å; Y186-V211 HydrophobicContact CD1-CG1 3.42Å; Y186-V211 VanDerWaalsContact CD1-CG1 3.42Å; Y186-V211 HydrophobicContact CE1-CG1 3.69Å; Y186-V211 HydrophobicContact CG-CG1 4.24Å; W207-V211 PolarHBondContact O-N 3.06Å; S208-V211 PolarHBondContact O-N 3.26Å; L209-V211 PolarHBondContact O-N 3.32Å; V211-E215 WeakPolarHBondContact O-CB 3.5Å; V211-E215 PolarHBondContact O-N 3.31Å; V211-R221 HydrophobicContact CG1-CG 4.32Å; V211-P222 HydrophobicContact CG1-CG 4.32Å; V211-P222 HydrophobicContact CG2-CG 4.26Å; V211-L261 HydrophobicContact CB-CD2 4.45Å; V211-L261 HydrophobicContact CG2-CD2 3.6Å |
| 212 | T | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.2 | -50.6 | 178.8 | -63 | 0 | 0 | 0 | 0 | 111.3 | P149 I152 S208 L209 G210 Y214 E215 L216 | P149-T212 HydrophobicContact CG-CG2 4.11Å; I152-T212 HydrophobicContact CD1-CG2 3.81Å; S208-T212 WeakPolarHBondContact O-CB 3.27Å; S208-T212 PolarHBondContact O-N 3.38Å; S208-T212 PolarHBondContact O-OG1 3.48Å; L209-T212 WeakPolarHBondContact O-CB 3.49Å; L209-T212 PolarHBondContact O-N 3.09Å; G210-T212 VanDerWaalsContact C-N 3.34Å; G210-T212 PolarHBondContact O-N 3.11Å; T212-Y214 VanDerWaalsContact C-N 3.35Å; T212-Y214 PolarHBondContact O-N 2.95Å; T212-E215 WeakPolarHBondContact O-CB 3.39Å; T212-E215 PolarHBondContact O-N 3.32Å; T212-E215 VanDerWaalsContact O-N 3.08Å; T212-L216 HydrophobicContact CG2-CD1 4.16Å; T212-L216 HydrophobicContact CG2-CG 4.46Å; T212-L216 WeakPolarHBondContact O-CG 3.38Å; T212-L216 PolarHBondContact O-N 3.11Å |
| 213 | A | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 2% | 0.017 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V123 I127 L209 E215 L216 L217 L257 | V123-A213 HydrophobicContact CG1-CB 3.84Å; I127-A213 HydrophobicContact CD1-CB 3.85Å; I127-A213 HydrophobicContact CG1-CB 4.02Å; L209-A213 WeakPolarHBondContact O-CB 3.38Å; L209-A213 PolarHBondContact O-N 2.86Å; A213-E215 VanDerWaalsContact C-N 3.32Å; A213-E215 PolarHBondContact O-N 2.79Å; A213-L216 PolarHBondContact O-N 3.15Å; A213-L217 PolarHBondContact O-N 3.39Å; A213-L257 HydrophobicContact CB-CD2 3.66Å |
| 214 | Y | 98.7 | Very high | 98 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 2% | 0.02 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 172.9 | -179.4 | -77.8 | 0 | 0 | 0 | 111.4 | G210 T212 L217 R218 R220 P222 V243 T244 Y245 W249 L257 | G210-Y214 WeakPolarHBondContact O-CB 3.46Å; G210-Y214 PolarHBondContact O-N 2.94Å; T212-Y214 VanDerWaalsContact C-N 3.35Å; T212-Y214 PolarHBondContact O-N 2.95Å; Y214-L217 PolarHBondContact O-N 3.38Å; Y214-R218 HydrophobicContact CD1-CB 4.1Å; Y214-R218 HydrophobicContact CE1-CB 3.77Å; Y214-R218 HydrophobicContact CE1-CG 3.87Å; Y214-R218 VanDerWaalsContact O-CB 3.24Å; Y214-R218 WeakPolarHBondContact O-CB 3.35Å; Y214-R218 PolarHBondContact O-N 3.14Å; Y214-R220 VanDerWaalsContact CD1-O 3.32Å; Y214-R220 WeakPolarHBondContact CD1-O 3.45Å; Y214-R220 VanDerWaalsContact CE1-O 3.25Å; Y214-R220 WeakPolarHBondContact CE1-O 3.39Å; Y214-P222 HydrophobicContact CD1-CB 3.84Å; Y214-P222 VanDerWaalsContact CD1-CD 3.48Å; Y214-P222 HydrophobicContact CD1-CG 4.09Å; Y214-P222 HydrophobicContact CD2-CB 4.26Å; Y214-P222 HydrophobicContact CE1-CB 3.88Å; Y214-P222 HydrophobicContact CE2-CB 4.31Å; Y214-P222 HydrophobicContact CG-CB 4.05Å; Y214-P222 HydrophobicContact CG-CG 4.24Å; Y214-V243 HydrophobicContact CD2-CG1 4.24Å; Y214-V243 HydrophobicContact CE2-CG1 3.72Å; Y214-T244 PolarHBondContact OH-O 3.48Å; Y214-Y245 HydrophobicContact CD2-CE1 4.18Å; Y214-Y245 HydrophobicContact CE2-CD1 4.37Å; Y214-Y245 HydrophobicContact CE2-CE1 4.34Å; Y214-W249 AromaticContact CD2-CH2 3.68Å; Y214-W249 HydrophobicContact CD2-CH2 3.68Å; Y214-W249 AromaticContact CD2-CZ3 3.72Å; Y214-W249 HydrophobicContact CD2-CZ3 3.72Å; Y214-W249 AromaticContact CE2-CH2 3.64Å; Y214-W249 HydrophobicContact CE2-CH2 3.64Å; Y214-W249 AromaticContact CE2-CZ3 3.74Å; Y214-W249 HydrophobicContact CE2-CZ3 3.74Å; Y214-W249 HydrophobicContact CG-CH2 4.2Å; Y214-L257 HydrophobicContact CD2-CD1 4.35Å |
| 215 | E | 98.3 | Very high | 98 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 5% | 0.051 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 179.3 | -174.5 | 177.6 | -166.3 | 0 | 0 | 112.3 | R109 L112 Y186 V211 T212 A213 L217 R218 G219 R221 | R109-E215 IonicContact CZ-OE1 3.41Å; R109-E215 IonicContact NH1-OE1 3.7Å; R109-E215 PolarHBondContact NH1-OE1 3.16Å; R109-E215 IonicContact NH2-OE1 2.72Å; R109-E215 IonicContact NH2-OE2 2.91Å; L112-E215 HydrophobicContact CD1-CG 3.91Å; Y186-E215 WeakPolarHBondContact CE1-OE2 3.1Å; Y186-E215 PolarHBondContact OH-OE1 3.28Å; Y186-E215 PolarHBondContact OH-OE2 3.23Å; V211-E215 WeakPolarHBondContact O-CB 3.5Å; V211-E215 PolarHBondContact O-N 3.31Å; T212-E215 WeakPolarHBondContact O-CB 3.39Å; T212-E215 PolarHBondContact O-N 3.32Å; T212-E215 VanDerWaalsContact O-N 3.08Å; A213-E215 VanDerWaalsContact C-N 3.32Å; A213-E215 PolarHBondContact O-N 2.79Å; E215-L217 VanDerWaalsContact C-N 3.31Å; E215-L217 PolarHBondContact O-N 2.76Å; E215-R218 PolarHBondContact O-N 2.99Å; E215-G219 VanDerWaalsContact O-CA 3.25Å; E215-G219 WeakPolarHBondContact O-CA 3.39Å; E215-G219 PolarHBondContact O-N 2.79Å; E215-R221 HydrophobicContact CB-CG 4.38Å; E215-R221 HydrophobicContact CG-CG 4.2Å |
| 216 | L | 98.1 | Very high | 97.8 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -38.5 | 176.5 | -66.6 | 171.2 | 0 | 0 | 0 | 112.6 | L108 L112 F118 V123 F126 T212 A213 | L108-L216 HydrophobicContact CB-CD2 4.17Å; L108-L216 HydrophobicContact CD1-CD1 3.9Å; L108-L216 HydrophobicContact CD1-CD2 4.09Å; L112-L216 HydrophobicContact CD1-CD2 4.16Å; L112-L216 HydrophobicContact CD2-CD2 4.3Å; L112-L216 HydrophobicContact CG-CD2 4.16Å; F118-L216 HydrophobicContact CD2-CB 4.09Å; F118-L216 HydrophobicContact CD2-CD2 3.84Å; F118-L216 HydrophobicContact CE2-CD2 3.67Å; F118-L216 HydrophobicContact CZ-CD2 4.41Å; V123-L216 HydrophobicContact CG2-CB 3.94Å; F126-L216 HydrophobicContact CD2-CD1 4.09Å; T212-L216 HydrophobicContact CG2-CD1 4.16Å; T212-L216 HydrophobicContact CG2-CG 4.46Å; T212-L216 WeakPolarHBondContact O-CG 3.38Å; T212-L216 PolarHBondContact O-N 3.11Å; A213-L216 PolarHBondContact O-N 3.15Å |
| 217 | L | 97.5 | Very high | 97.6 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -78.3 | -39.3 | 177.7 | -66.7 | 172.9 | 0 | 0 | 0 | 112.8 | E120 V123 A213 Y214 E215 W249 M253 L257 | E120-L217 HydrophobicContact CB-CD2 4.49Å; E120-L217 HydrophobicContact CG-CD2 3.83Å; V123-L217 HydrophobicContact CB-CD2 3.91Å; V123-L217 HydrophobicContact CB-CG 4.18Å; V123-L217 HydrophobicContact CG1-CD1 4.33Å; V123-L217 HydrophobicContact CG1-CD2 4.41Å; V123-L217 HydrophobicContact CG1-CG 4.14Å; V123-L217 HydrophobicContact CG2-CD2 3.55Å; V123-L217 HydrophobicContact CG2-CG 3.92Å; A213-L217 PolarHBondContact O-N 3.39Å; Y214-L217 PolarHBondContact O-N 3.38Å; E215-L217 VanDerWaalsContact C-N 3.31Å; E215-L217 PolarHBondContact O-N 2.76Å; L217-W249 HydrophobicContact CB-CH2 3.99Å; L217-W249 HydrophobicContact CB-CZ2 3.45Å; L217-W249 VanDerWaalsContact CB-CZ2 3.45Å; L217-W249 HydrophobicContact CD1-CZ2 4.43Å; L217-M253 HydrophobicContact CD1-CE 4.39Å; L217-M253 HydrophobicContact CD1-CG 3.67Å; L217-M253 HydrophobicContact CD1-SD 3.85Å; L217-L257 HydrophobicContact CD1-CD1 4.09Å |
| 218 | R | 96.4 | Very high | 97.4 | Very high | 82 Ų | 82 | 45 Ų | 45 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -92.7 | -22.4 | -171.1 | -163.1 | 72.9 | -165.1 | -120.4 | 12.2 | 113.4 | Y214 E215 R220 T244 P246 W249 | Y214-R218 HydrophobicContact CD1-CB 4.1Å; Y214-R218 HydrophobicContact CE1-CB 3.77Å; Y214-R218 HydrophobicContact CE1-CG 3.87Å; Y214-R218 VanDerWaalsContact O-CB 3.24Å; Y214-R218 WeakPolarHBondContact O-CB 3.35Å; Y214-R218 PolarHBondContact O-N 3.14Å; E215-R218 PolarHBondContact O-N 2.99Å; R218-R220 HydrophobicContact CB-CG 4.42Å; R218-R220 HydrophobicContact CG-CG 3.76Å; R218-R220 PolarHBondContact O-N 3.04Å; R218-T244 PolarHBondContact NH1-O 2.89Å; R218-T244 VanDerWaalsContact NH1-O 3.1Å; R218-P246 VanDerWaalsContact NH1-CD 3.32Å; R218-P246 VanDerWaalsContact NH1-CG 3.27Å; R218-W249 HydrophobicContact CB-CH2 4.03Å; R218-W249 HydrophobicContact CB-CZ2 3.87Å; R218-W249 HydrophobicContact CG-CZ2 4.42Å |
| 219 | G | 96.1 | Very high | 97.4 | Very high | 55 Ų | 55 | 45.5 Ų | 45.5 | 57% | 0.567 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 73.2 | 6.6 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114 | E215 | E215-G219 VanDerWaalsContact O-CA 3.25Å; E215-G219 WeakPolarHBondContact O-CA 3.39Å; E215-G219 PolarHBondContact O-N 2.79Å |
| 220 | R | 96.2 | Very high | 97.2 | Very high | 126 Ų | 126 | 47.8 Ų | 47.8 | 48% | 0.475 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -153.1 | 151.7 | 175.8 | 66.6 | -178.9 | -173.4 | -179.1 | 4.2 | 110.7 | Y214 R218 | Y214-R220 VanDerWaalsContact CD1-O 3.32Å; Y214-R220 WeakPolarHBondContact CD1-O 3.45Å; Y214-R220 VanDerWaalsContact CE1-O 3.25Å; Y214-R220 WeakPolarHBondContact CE1-O 3.39Å; R218-R220 HydrophobicContact CB-CG 4.42Å; R218-R220 HydrophobicContact CG-CG 3.76Å; R218-R220 PolarHBondContact O-N 3.04Å |
| 221 | R | 97.8 | Very high | 97 | Very high | 79 Ų | 79 | 50.3 Ų | 50.3 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | trans | -65.1 | 155.8 | 177.7 | -66.7 | 173.9 | -62.5 | -143.3 | -2.8 | 112.8 | V211 E215 Y223 | V211-R221 HydrophobicContact CG1-CG 4.32Å; E215-R221 HydrophobicContact CB-CG 4.38Å; E215-R221 HydrophobicContact CG-CG 4.2Å; R221-Y223 VanDerWaalsContact C-N 3.34Å | ||
| 222 | P | 97.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -69.3 | -28.5 | 178.6 | 25.8 | -31.7 | 0 | 0 | 0 | 113.5 | V211 Y214 V243 L261 | V211-P222 HydrophobicContact CG1-CG 4.32Å; V211-P222 HydrophobicContact CG2-CG 4.26Å; Y214-P222 HydrophobicContact CD1-CB 3.84Å; Y214-P222 VanDerWaalsContact CD1-CD 3.48Å; Y214-P222 HydrophobicContact CD1-CG 4.09Å; Y214-P222 HydrophobicContact CD2-CB 4.26Å; Y214-P222 HydrophobicContact CE1-CB 3.88Å; Y214-P222 HydrophobicContact CE2-CB 4.31Å; Y214-P222 HydrophobicContact CG-CB 4.05Å; Y214-P222 HydrophobicContact CG-CG 4.24Å; P222-V243 HydrophobicContact CB-CG1 3.72Å; P222-V243 HydrophobicContact CB-CG2 4.12Å; P222-L261 HydrophobicContact CB-CD1 4.47Å; P222-L261 HydrophobicContact CG-CD1 4.26Å |
| 223 | Y | 97.8 | Very high | 96.7 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -118.6 | 145 | 178.8 | -58.7 | -85.2 | 0 | 0 | 0 | 111.8 | W207 R221 I225 F238 T241 V243 | W207-Y223 AromaticContact CH2-CE2 3.87Å; W207-Y223 HydrophobicContact CH2-CE2 3.87Å; W207-Y223 HydrophobicContact CZ2-CD2 4.36Å; W207-Y223 AromaticContact CZ2-CE2 3.72Å; W207-Y223 HydrophobicContact CZ2-CE2 3.72Å; R221-Y223 VanDerWaalsContact C-N 3.34Å; Y223-I225 PolarHBondContact O-N 2.99Å; Y223-F238 HydrophobicContact CD1-CD1 4.07Å; Y223-F238 HydrophobicContact CD1-CE1 4.25Å; Y223-F238 HydrophobicContact CD2-CD1 4.33Å; Y223-F238 AromaticContact CD2-CE1 3.84Å; Y223-F238 HydrophobicContact CD2-CE1 3.84Å; Y223-F238 AromaticContact CE1-CD1 3.78Å; Y223-F238 HydrophobicContact CE1-CD1 3.78Å; Y223-F238 HydrophobicContact CE1-CE1 4.26Å; Y223-F238 HydrophobicContact CE2-CD1 4.08Å; Y223-F238 AromaticContact CE2-CE1 3.87Å; Y223-F238 HydrophobicContact CE2-CE1 3.87Å; Y223-F238 HydrophobicContact CG-CD1 4.34Å; Y223-F238 HydrophobicContact CG-CE1 4.05Å; Y223-F238 AromaticContact CZ-CD1 3.79Å; Y223-T241 HydrophobicContact CD1-CG2 4.23Å; Y223-T241 HydrophobicContact CE1-CG2 4.36Å; Y223-V243 HydrophobicContact CE1-CG2 3.96Å; Y223-V243 HydrophobicContact CE2-CG2 3.91Å; Y223-V243 VanDerWaalsContact CZ-CG2 3.46Å; Y223-V243 WeakPolarHBondContact OH-CG2 3.48Å |
| 224 | H | 95.8 | Very high | 96.6 | Very high | 147 Ų | 147 | 63.7 Ų | 63.7 | 68% | 0.681 | 33% | 0.325 | S | S | * | . | trans | -85.7 | 56.7 | 178.1 | -69.7 | -62.7 | 0 | 0 | 0 | 112.5 | ||||
| 225 | I | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | trans | -94.5 | 139.8 | 177.9 | -61.7 | 168.1 | 0 | 0 | 0 | 109.5 | K184 P185 Y223 I234 M237 F238 | K184-I225 HydrophobicContact CB-CG2 4Å; P185-I225 HydrophobicContact CB-CB 4.24Å; P185-I225 HydrophobicContact CB-CG2 4.37Å; P185-I225 HydrophobicContact CG-CB 4.43Å; P185-I225 HydrophobicContact CG-CG2 4.18Å; P185-I225 VanDerWaalsContact CG-O 3.31Å; P185-I225 WeakPolarHBondContact CG-O 3.3Å; Y223-I225 PolarHBondContact O-N 2.99Å; I225-I234 HydrophobicContact CD1-CG1 4.33Å; I225-I234 HydrophobicContact CD1-CG2 3.96Å; I225-I234 HydrophobicContact CG1-CG1 4.24Å; I225-I234 HydrophobicContact CG2-CD1 3.81Å; I225-I234 HydrophobicContact CG2-CG1 3.93Å; I225-M237 HydrophobicContact CG1-SD 3.94Å; I225-F238 HydrophobicContact CD1-CE1 4.03Å; I225-F238 HydrophobicContact CD1-CE2 4.49Å; I225-F238 HydrophobicContact CD1-CZ 3.78Å | ||
| 226 | R | 95.8 | Very high | 96.4 | Very high | 176 Ų | 176 | 73.4 Ų | 73.4 | 66% | 0.664 | 37% | 0.366 | S | S | * | . | trans | -120.8 | 165.6 | 173.3 | -60.4 | -177.5 | -179.2 | -177.6 | 0.1 | 110 | S228 T229 | R226-S228 PolarHBondContact O-N 3.26Å; R226-T229 PolarHBondContact N-OG1 3.31Å; R226-T229 WeakPolarHBondContact O-CB 3.33Å; R226-T229 PolarHBondContact O-N 3.13Å; R226-T229 VanDerWaalsContact O-N 3.12Å; R226-T229 PolarHBondContact O-OG1 2.86Å | ||
| 227 | S | 93.8 | Very high | 96.3 | Very high | 99 Ų | 99 | 75.6 Ų | 75.6 | 69% | 0.692 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31.4 | 173.6 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | K184 | K184-S227 WeakPolarHBondContact CD-O 3.5Å; K184-S227 WeakPolarHBondContact CE-O 3.35Å; K184-S227 PolarHBondContact NZ-O 3.38Å |
| 228 | S | 96.1 | Very high | 96.2 | Very high | 100 Ų | 100 | 75 Ų | 75 | 70% | 0.699 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -13.2 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | R226 S230 | R226-S228 PolarHBondContact O-N 3.26Å; S228-S230 PolarHBondContact O-N 3.4Å |
| 229 | T | 96.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 78.2 Ų | 78.2 | 8% | 0.08 | 39% | 0.392 | C | S | . | . | trans | -63.6 | 135.6 | -179.2 | -51.5 | 0 | 0 | 0 | 0 | 110.3 | K184 R226 E233 I234 M237 | K184-T229 PolarHBondContact NZ-O 3.15Å; R226-T229 PolarHBondContact N-OG1 3.31Å; R226-T229 WeakPolarHBondContact O-CB 3.33Å; R226-T229 PolarHBondContact O-N 3.13Å; R226-T229 VanDerWaalsContact O-N 3.12Å; R226-T229 PolarHBondContact O-OG1 2.86Å; T229-E233 HydrophobicContact CG2-CB 3.78Å; T229-I234 HydrophobicContact CG2-CD1 4.42Å; T229-I234 HydrophobicContact CG2-CG1 3.73Å; T229-M237 HydrophobicContact CG2-CE 4.37Å | ||
| 230 | S | 96.3 | Very high | 96.1 | Very high | 51 Ų | 51 | 80.1 Ų | 80.1 | 36% | 0.357 | 39% | 0.392 | S | S | . | . | trans | -74.7 | 152.3 | -179.4 | 69.5 | 0 | 0 | 0 | 0 | 111.4 | S228 K232 E233 I234 | S228-S230 PolarHBondContact O-N 3.4Å; S230-K232 PolarHBondContact O-N 3.29Å; S230-E233 PolarHBondContact N-OE2 3.26Å; S230-E233 PolarHBondContact O-N 3.06Å; S230-E233 VanDerWaalsContact O-N 3.16Å; S230-E233 WeakPolarHBondContact OG-CB 3.21Å; S230-E233 VanDerWaalsContact OG-CG 3.23Å; S230-E233 WeakPolarHBondContact OG-CG 3.21Å; S230-E233 PolarHBondContact OG-N 3.31Å; S230-E233 PolarHBondContact OG-OE2 3.1Å; S230-I234 WeakPolarHBondContact O-CG1 3.38Å; S230-I234 PolarHBondContact O-N 3.03Å | ||
| 231 | S | 94.8 | Very high | 96.1 | Very high | 52 Ų | 52 | 76.8 Ų | 76.8 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.8 | -34.5 | 178.9 | -51.6 | 0 | 0 | 0 | 0 | 112.5 | I234 V235 | S231-I234 PolarHBondContact O-N 3.37Å; S231-V235 WeakPolarHBondContact O-CG2 3.48Å; S231-V235 PolarHBondContact O-N 3.44Å |
| 232 | K | 94.8 | Very high | 96 | Very high | 183 Ų | 183 | 79.1 Ų | 79.1 | 80% | 0.796 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.2 | -42.5 | 177.6 | -68.1 | -176.8 | 179.3 | 179.3 | 0 | 112.2 | S230 R236 | S230-K232 PolarHBondContact O-N 3.29Å; K232-R236 PolarHBondContact O-N 3.14Å; K232-R236 VanDerWaalsContact O-N 3.1Å |
| 233 | E | 96.6 | Very high | 96 | Very high | 102 Ų | 102 | 79.4 Ų | 79.4 | 48% | 0.477 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 175.9 | -71.9 | 164.2 | 153.9 | 0 | 0 | 111.6 | T229 S230 R236 M237 | T229-E233 HydrophobicContact CG2-CB 3.78Å; S230-E233 PolarHBondContact N-OE2 3.26Å; S230-E233 PolarHBondContact O-N 3.06Å; S230-E233 VanDerWaalsContact O-N 3.16Å; S230-E233 WeakPolarHBondContact OG-CB 3.21Å; S230-E233 VanDerWaalsContact OG-CG 3.23Å; S230-E233 WeakPolarHBondContact OG-CG 3.21Å; S230-E233 PolarHBondContact OG-N 3.31Å; S230-E233 PolarHBondContact OG-OE2 3.1Å; E233-R236 PolarHBondContact O-N 3.33Å; E233-M237 WeakPolarHBondContact O-CG 3.41Å; E233-M237 PolarHBondContact O-N 3.33Å |
| 234 | I | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 176.7 | -69.8 | 171 | 0 | 0 | 0 | 110.7 | K184 F192 I225 T229 S230 S231 R236 M237 F238 | K184-I234 HydrophobicContact CB-CD1 4.34Å; K184-I234 HydrophobicContact CD-CD1 4.03Å; K184-I234 HydrophobicContact CG-CD1 4.47Å; F192-I234 HydrophobicContact CD1-CB 4.5Å; F192-I234 HydrophobicContact CD1-CD1 4.25Å; F192-I234 HydrophobicContact CD1-CG2 4.18Å; F192-I234 HydrophobicContact CD2-CG2 3.69Å; F192-I234 HydrophobicContact CE1-CD1 3.61Å; F192-I234 HydrophobicContact CE1-CG2 4.2Å; F192-I234 HydrophobicContact CE2-CG2 3.71Å; F192-I234 HydrophobicContact CG-CG2 3.93Å; F192-I234 HydrophobicContact CZ-CD1 3.81Å; F192-I234 HydrophobicContact CZ-CG2 3.97Å; I225-I234 HydrophobicContact CD1-CG1 4.33Å; I225-I234 HydrophobicContact CD1-CG2 3.96Å; I225-I234 HydrophobicContact CG1-CG1 4.24Å; I225-I234 HydrophobicContact CG2-CD1 3.81Å; I225-I234 HydrophobicContact CG2-CG1 3.93Å; T229-I234 HydrophobicContact CG2-CD1 4.42Å; T229-I234 HydrophobicContact CG2-CG1 3.73Å; S230-I234 WeakPolarHBondContact O-CG1 3.38Å; S230-I234 PolarHBondContact O-N 3.03Å; S231-I234 PolarHBondContact O-N 3.37Å; I234-R236 VanDerWaalsContact C-N 3.33Å; I234-R236 PolarHBondContact O-N 3.06Å; I234-M237 WeakPolarHBondContact O-CB 3.14Å; I234-M237 PolarHBondContact O-N 3.17Å; I234-M237 VanDerWaalsContact O-N 3.12Å; I234-F238 HydrophobicContact CG2-CD2 3.84Å; I234-F238 HydrophobicContact CG2-CE2 3.31Å; I234-F238 HydrophobicContact CG2-CZ 4Å; I234-F238 WeakPolarHBondContact O-CD2 3.42Å; I234-F238 PolarHBondContact O-N 2.78Å |
| 235 | V | 95.5 | Very high | 96 | Very high | 45 Ų | 45 | 78.3 Ų | 78.3 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.5 | -48.1 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | F192 S231 M237 F238 E239 | F192-V235 HydrophobicContact CB-CG2 3.71Å; S231-V235 WeakPolarHBondContact O-CG2 3.48Å; S231-V235 PolarHBondContact O-N 3.44Å; V235-M237 VanDerWaalsContact C-N 3.3Å; V235-M237 PolarHBondContact O-N 3.28Å; V235-F238 PolarHBondContact O-N 2.77Å; V235-F238 VanDerWaalsContact O-N 3.16Å; V235-E239 WeakPolarHBondContact O-CG 3.24Å; V235-E239 PolarHBondContact O-N 3.31Å; V235-E239 VanDerWaalsContact O-N 3.13Å |
| 236 | R | 95.7 | Very high | 95.9 | Very high | 175 Ų | 175 | 79.6 Ų | 79.6 | 66% | 0.66 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -57.7 | -42.5 | 175.9 | -174.6 | -177.4 | 179.1 | -170.8 | 1.2 | 111.9 | K232 E233 I234 F238 E239 T240 | K232-R236 PolarHBondContact O-N 3.14Å; K232-R236 VanDerWaalsContact O-N 3.1Å; E233-R236 PolarHBondContact O-N 3.33Å; I234-R236 VanDerWaalsContact C-N 3.33Å; I234-R236 PolarHBondContact O-N 3.06Å; R236-F238 VanDerWaalsContact C-N 3.34Å; R236-F238 PolarHBondContact O-N 3.19Å; R236-E239 PolarHBondContact O-N 2.95Å; R236-T240 HydrophobicContact CG-CG2 4.19Å; R236-T240 WeakPolarHBondContact O-CG2 3.22Å; R236-T240 PolarHBondContact O-N 3.29Å; R236-T240 PolarHBondContact O-OG1 3.23Å |
| 237 | M | 96.4 | Very high | 95.9 | Very high | 53 Ų | 53 | 77 Ų | 77 | 26% | 0.261 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 178 | -75.7 | -178.8 | -173 | 0 | 0 | 111.8 | I225 T229 E233 I234 V235 E239 T241 | I225-M237 HydrophobicContact CG1-SD 3.94Å; T229-M237 HydrophobicContact CG2-CE 4.37Å; E233-M237 WeakPolarHBondContact O-CG 3.41Å; E233-M237 PolarHBondContact O-N 3.33Å; I234-M237 WeakPolarHBondContact O-CB 3.14Å; I234-M237 PolarHBondContact O-N 3.17Å; I234-M237 VanDerWaalsContact O-N 3.12Å; V235-M237 VanDerWaalsContact C-N 3.3Å; V235-M237 PolarHBondContact O-N 3.28Å; M237-E239 VanDerWaalsContact C-N 3.31Å; M237-E239 PolarHBondContact O-N 3.28Å; M237-T241 WeakPolarHBondContact O-CB 3.3Å; M237-T241 PolarHBondContact O-N 3.25Å; M237-T241 PolarHBondContact O-OG1 3Å |
| 238 | F | 96.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 76.5 Ų | 76.5 | 5% | 0.048 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.4 | -35 | 176.6 | -69.1 | -45.3 | 0 | 0 | 0 | 112.8 | P189 F192 W207 Y223 I225 I234 V235 R236 L263 | P189-F238 HydrophobicContact CB-CD2 3.68Å; P189-F238 HydrophobicContact CB-CE2 3.98Å; P189-F238 HydrophobicContact CB-CG 4.1Å; P189-F238 HydrophobicContact CG-CD1 4.08Å; P189-F238 HydrophobicContact CG-CD2 3.84Å; P189-F238 HydrophobicContact CG-CE1 4.23Å; P189-F238 HydrophobicContact CG-CE2 3.95Å; P189-F238 HydrophobicContact CG-CG 3.91Å; P189-F238 HydrophobicContact CG-CZ 4.15Å; F192-F238 HydrophobicContact CD2-CE2 4Å; F192-F238 HydrophobicContact CE2-CE2 4.2Å; W207-F238 HydrophobicContact CH2-CD1 4.33Å; W207-F238 HydrophobicContact CH2-CE1 4.14Å; W207-F238 HydrophobicContact CZ2-CD1 4.22Å; W207-F238 AromaticContact CZ2-CE1 3.58Å; W207-F238 HydrophobicContact CZ2-CE1 3.58Å; W207-F238 HydrophobicContact CZ2-CZ 4.12Å; Y223-F238 HydrophobicContact CD1-CD1 4.07Å; Y223-F238 HydrophobicContact CD1-CE1 4.25Å; Y223-F238 HydrophobicContact CD2-CD1 4.33Å; Y223-F238 AromaticContact CD2-CE1 3.84Å; Y223-F238 HydrophobicContact CD2-CE1 3.84Å; Y223-F238 AromaticContact CE1-CD1 3.78Å; Y223-F238 HydrophobicContact CE1-CD1 3.78Å; Y223-F238 HydrophobicContact CE1-CE1 4.26Å; Y223-F238 HydrophobicContact CE2-CD1 4.08Å; Y223-F238 AromaticContact CE2-CE1 3.87Å; Y223-F238 HydrophobicContact CE2-CE1 3.87Å; Y223-F238 HydrophobicContact CG-CD1 4.34Å; Y223-F238 HydrophobicContact CG-CE1 4.05Å; Y223-F238 AromaticContact CZ-CD1 3.79Å; I225-F238 HydrophobicContact CD1-CE1 4.03Å; I225-F238 HydrophobicContact CD1-CE2 4.49Å; I225-F238 HydrophobicContact CD1-CZ 3.78Å; I234-F238 HydrophobicContact CG2-CD2 3.84Å; I234-F238 HydrophobicContact CG2-CE2 3.31Å; I234-F238 HydrophobicContact CG2-CZ 4Å; I234-F238 WeakPolarHBondContact O-CD2 3.42Å; I234-F238 PolarHBondContact O-N 2.78Å; V235-F238 PolarHBondContact O-N 2.77Å; V235-F238 VanDerWaalsContact O-N 3.16Å; R236-F238 VanDerWaalsContact C-N 3.34Å; R236-F238 PolarHBondContact O-N 3.19Å; F238-L263 HydrophobicContact CB-CD2 4.11Å; F238-L263 HydrophobicContact CD1-CD2 4.22Å; F238-L263 HydrophobicContact CG-CD2 4.38Å; F238-L263 WeakPolarHBondContact O-CD1 3.15Å |
| 239 | E | 94.6 | Very high | 96 | Very high | 149 Ų | 149 | 73 Ų | 73 | 70% | 0.696 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -76.3 | -35.4 | 180 | -69 | 172.2 | 170.9 | 0 | 0 | 113.2 | V235 R236 M237 | V235-E239 WeakPolarHBondContact O-CG 3.24Å; V235-E239 PolarHBondContact O-N 3.31Å; V235-E239 VanDerWaalsContact O-N 3.13Å; R236-E239 PolarHBondContact O-N 2.95Å; M237-E239 VanDerWaalsContact C-N 3.31Å; M237-E239 PolarHBondContact O-N 3.28Å |
| 240 | T | 95.6 | Very high | 96.1 | Very high | 95 Ų | 95 | 74 Ų | 74 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -103.4 | -20 | -170.7 | 64.8 | 0 | 0 | 0 | 0 | 114.7 | R236 | R236-T240 HydrophobicContact CG-CG2 4.19Å; R236-T240 WeakPolarHBondContact O-CG2 3.22Å; R236-T240 PolarHBondContact O-N 3.29Å; R236-T240 PolarHBondContact O-OG1 3.23Å |
| 241 | T | 95.5 | Very high | 96.1 | Very high | 57 Ų | 57 | 77.9 Ų | 77.9 | 35% | 0.35 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 123.6 | -171.4 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | Y223 M237 | Y223-T241 HydrophobicContact CD1-CG2 4.23Å; Y223-T241 HydrophobicContact CE1-CG2 4.36Å; M237-T241 WeakPolarHBondContact O-CB 3.3Å; M237-T241 PolarHBondContact O-N 3.25Å; M237-T241 PolarHBondContact O-OG1 3Å |
| 242 | V | 95.3 | Very high | 96.3 | Very high | 127 Ų | 127 | 80 Ų | 80 | 77% | 0.77 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -89.1 | 116.7 | 169.2 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | T244 | V242-T244 PolarHBondContact O-N 3.29Š|
| 243 | V | 97 | Very high | 96.5 | Very high | 19 Ų | 19 | 71.3 Ų | 71.3 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 126.8 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | Y214 P222 Y223 Y245 | Y214-V243 HydrophobicContact CD2-CG1 4.24Å; Y214-V243 HydrophobicContact CE2-CG1 3.72Å; P222-V243 HydrophobicContact CB-CG1 3.72Å; P222-V243 HydrophobicContact CB-CG2 4.12Å; Y223-V243 HydrophobicContact CE1-CG2 3.96Å; Y223-V243 HydrophobicContact CE2-CG2 3.91Å; Y223-V243 VanDerWaalsContact CZ-CG2 3.46Å; Y223-V243 WeakPolarHBondContact OH-CG2 3.48Å; V243-Y245 HydrophobicContact CB-CE2 3.9Å; V243-Y245 HydrophobicContact CG1-CD2 4.4Å; V243-Y245 HydrophobicContact CG1-CE1 4.28Å; V243-Y245 HydrophobicContact CG1-CE2 3.76Å; V243-Y245 WeakPolarHBondContact O-CD2 3.48Å; V243-Y245 WeakPolarHBondContact O-CE2 3.32Å |
| 244 | T | 97 | Very high | 96.6 | Very high | 86 Ų | 86 | 66.7 Ų | 66.7 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | trans | -90.8 | 113.1 | -178.3 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | Y214 R218 V242 | Y214-T244 PolarHBondContact OH-O 3.48Å; R218-T244 PolarHBondContact NH1-O 2.89Å; R218-T244 VanDerWaalsContact NH1-O 3.1Å; V242-T244 PolarHBondContact O-N 3.29Å | ||
| 245 | Y | 97.4 | Very high | 96.6 | Very high | 51 Ų | 51 | 68.7 Ų | 68.7 | 20% | 0.2 | 38% | 0.381 | C | S | . | . | trans | -93.7 | 117.6 | 172.2 | -60.4 | -88 | 0 | 0 | 0 | 109.5 | Y214 V243 W249 A254 L257 K258 | Y214-Y245 HydrophobicContact CD2-CE1 4.18Å; Y214-Y245 HydrophobicContact CE2-CD1 4.37Å; Y214-Y245 HydrophobicContact CE2-CE1 4.34Å; V243-Y245 HydrophobicContact CB-CE2 3.9Å; V243-Y245 HydrophobicContact CG1-CD2 4.4Å; V243-Y245 HydrophobicContact CG1-CE1 4.28Å; V243-Y245 HydrophobicContact CG1-CE2 3.76Å; V243-Y245 WeakPolarHBondContact O-CD2 3.48Å; V243-Y245 WeakPolarHBondContact O-CE2 3.32Å; Y245-W249 HydrophobicContact CD1-CE3 4.08Å; Y245-W249 AromaticContact CD1-CZ3 3.84Å; Y245-W249 HydrophobicContact CD1-CZ3 3.84Å; Y245-A254 HydrophobicContact CD1-CB 4.13Å; Y245-A254 HydrophobicContact CG-CB 4.32Å; Y245-L257 HydrophobicContact CD1-CD1 4.45Å; Y245-L257 HydrophobicContact CE1-CB 3.76Å; Y245-L257 HydrophobicContact CE1-CD1 4.22Å; Y245-K258 HydrophobicContact CE1-CG 4.33Å; Y245-K258 HydrophobicContact CE2-CD 4.4Å; Y245-K258 HydrophobicContact CE2-CG 3.75Å | ||
| 246 | P | 95.8 | Very high | 96.8 | Very high | 27 Ų | 27 | 66.6 Ų | 66.6 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | trans | -51.6 | 138.7 | 174.4 | -27.9 | 35 | 0 | 0 | 0 | 112.9 | R218 A248 W249 | R218-P246 VanDerWaalsContact NH1-CD 3.32Å; R218-P246 VanDerWaalsContact NH1-CG 3.27Å; P246-A248 PolarHBondContact O-N 2.94Å; P246-W249 HydrophobicContact CB-CD2 4.21Å; P246-W249 HydrophobicContact CB-CG 4.14Å; P246-W249 HydrophobicContact CG-CD2 3.91Å; P246-W249 HydrophobicContact CG-CE3 4.42Å; P246-W249 HydrophobicContact CG-CG 4.34Å; P246-W249 HydrophobicContact CG-CH2 4.29Å; P246-W249 HydrophobicContact CG-CZ2 3.77Å; P246-W249 PolarHBondContact O-N 3.09Å | ||
| 247 | S | 94.9 | Very high | 96.9 | Very high | 122 Ų | 122 | 58.2 Ų | 58.2 | 85% | 0.853 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.2 | 172.6 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 248 | A | 95.4 | Very high | 97 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 74% | 0.736 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -15.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | P246 | P246-A248 PolarHBondContact O-N 2.94Š|
| 249 | W | 97.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 64 Ų | 64 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -80.5 | 148 | 176.6 | -63.3 | -11.4 | 0 | 0 | 0 | 111.5 | E120 Y214 L217 R218 Y245 P246 L257 | E120-W249 WeakPolarHBondContact OE1-CA 3.38Å; Y214-W249 AromaticContact CD2-CH2 3.68Å; Y214-W249 HydrophobicContact CD2-CH2 3.68Å; Y214-W249 AromaticContact CD2-CZ3 3.72Å; Y214-W249 HydrophobicContact CD2-CZ3 3.72Å; Y214-W249 AromaticContact CE2-CH2 3.64Å; Y214-W249 HydrophobicContact CE2-CH2 3.64Å; Y214-W249 AromaticContact CE2-CZ3 3.74Å; Y214-W249 HydrophobicContact CE2-CZ3 3.74Å; Y214-W249 HydrophobicContact CG-CH2 4.2Å; L217-W249 HydrophobicContact CB-CH2 3.99Å; L217-W249 HydrophobicContact CB-CZ2 3.45Å; L217-W249 VanDerWaalsContact CB-CZ2 3.45Å; L217-W249 HydrophobicContact CD1-CZ2 4.43Å; R218-W249 HydrophobicContact CB-CH2 4.03Å; R218-W249 HydrophobicContact CB-CZ2 3.87Å; R218-W249 HydrophobicContact CG-CZ2 4.42Å; Y245-W249 HydrophobicContact CD1-CE3 4.08Å; Y245-W249 AromaticContact CD1-CZ3 3.84Å; Y245-W249 HydrophobicContact CD1-CZ3 3.84Å; P246-W249 HydrophobicContact CB-CD2 4.21Å; P246-W249 HydrophobicContact CB-CG 4.14Å; P246-W249 HydrophobicContact CG-CD2 3.91Å; P246-W249 HydrophobicContact CG-CE3 4.42Å; P246-W249 HydrophobicContact CG-CG 4.34Å; P246-W249 HydrophobicContact CG-CH2 4.29Å; P246-W249 HydrophobicContact CG-CZ2 3.77Å; P246-W249 PolarHBondContact O-N 3.09Å; W249-L257 HydrophobicContact CE3-CD1 4.1Å; W249-L257 HydrophobicContact CH2-CD1 4.46Å; W249-L257 HydrophobicContact CZ3-CD1 3.66Å |
| 250 | S | 98.1 | Very high | 97.3 | Very high | 33 Ų | 33 | 56.9 Ų | 56.9 | 23% | 0.231 | 33% | 0.327 | C | S | . | . | trans | -58.9 | 146.7 | 170.8 | 67 | 0 | 0 | 0 | 0 | 110.8 | E120 E252 M253 A254 | E120-S250 PolarHBondContact OE1-N 2.84Å; E120-S250 VanDerWaalsContact OE2-CB 3.24Å; E120-S250 WeakPolarHBondContact OE2-CB 3.47Å; E120-S250 PolarHBondContact OE2-N 2.7Å; E120-S250 VanDerWaalsContact OE2-N 3.1Å; E120-S250 PolarHBondContact OE2-OG 3.34Å; S250-E252 WeakPolarHBondContact CB-OE2 3.34Å; S250-E252 PolarHBondContact O-N 3.41Å; S250-M253 PolarHBondContact O-N 3.06Å; S250-M253 WeakPolarHBondContact OG-CB 3.25Å; S250-M253 PolarHBondContact OG-N 2.91Å; S250-M253 VanDerWaalsContact OG-N 3.1Å; S250-A254 PolarHBondContact O-N 3.48Å | ||
| 251 | Q | 98 | Very high | 97.5 | Very high | 132 Ų | 132 | 52.8 Ų | 52.8 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.8 | -33.6 | 177.8 | -70.2 | -58.5 | -38.8 | 0 | 0 | 110.5 | A254 S255 | Q251-A254 PolarHBondContact O-N 2.85Å; Q251-S255 VanDerWaalsContact O-CB 3.23Å; Q251-S255 WeakPolarHBondContact O-CB 3.41Å; Q251-S255 PolarHBondContact O-N 3.31Å; Q251-S255 PolarHBondContact O-OG 3.48Å; Q251-S255 VanDerWaalsContact O-OG 3.1Å |
| 252 | E | 98 | Very high | 97.6 | Very high | 97 Ų | 97 | 53.1 Ų | 53.1 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.9 | -51.4 | 177.3 | -60.9 | 76.3 | -169.4 | 0 | 0 | 111.2 | S250 A254 S255 L256 Y280 | S250-E252 WeakPolarHBondContact CB-OE2 3.34Å; S250-E252 PolarHBondContact O-N 3.41Å; E252-A254 PolarHBondContact O-N 3.23Å; E252-S255 WeakPolarHBondContact CA-OG 3.26Å; E252-S255 PolarHBondContact O-N 2.81Å; E252-S255 PolarHBondContact O-OG 3.18Å; E252-L256 PolarHBondContact O-N 2.97Å; E252-Y280 HydrophobicContact CB-CD1 4.29Å; E252-Y280 HydrophobicContact CB-CD2 3.26Å; E252-Y280 HydrophobicContact CB-CE2 3.69Å; E252-Y280 HydrophobicContact CB-CG 3.59Å; E252-Y280 HydrophobicContact CG-CD2 3.89Å; E252-Y280 HydrophobicContact CG-CE2 4.47Å; E252-Y280 HydrophobicContact CG-CG 4.45Å |
| 253 | M | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 175.5 | 178.1 | 58.3 | 73.2 | 0 | 0 | 111.6 | E120 V123 K124 I127 L217 S250 S255 L256 L257 Y280 | E120-M253 HydrophobicContact CB-CE 4.19Å; E120-M253 HydrophobicContact CG-CE 4.45Å; E120-M253 HydrophobicContact CG-CG 4.26Å; E120-M253 WeakPolarHBondContact O-CE 3.37Å; E120-M253 VanDerWaalsContact OE2-CB 3.27Å; E120-M253 WeakPolarHBondContact OE2-CB 3.42Å; V123-M253 HydrophobicContact CB-CE 4.49Å; K124-M253 HydrophobicContact CB-CE 4.11Å; I127-M253 HydrophobicContact CD1-SD 4.47Å; L217-M253 HydrophobicContact CD1-CE 4.39Å; L217-M253 HydrophobicContact CD1-CG 3.67Å; L217-M253 HydrophobicContact CD1-SD 3.85Å; S250-M253 PolarHBondContact O-N 3.06Å; S250-M253 WeakPolarHBondContact OG-CB 3.25Å; S250-M253 PolarHBondContact OG-N 2.91Å; S250-M253 VanDerWaalsContact OG-N 3.1Å; M253-S255 VanDerWaalsContact C-N 3.28Å; M253-S255 PolarHBondContact O-N 3.08Å; M253-L256 PolarHBondContact O-N 3.39Å; M253-L257 HydrophobicContact CG-CD1 4.26Å; M253-L257 WeakPolarHBondContact O-CG 3.49Å; M253-L257 PolarHBondContact O-N 3.27Å; M253-L257 HydrophobicContact SD-CD1 4.35Å; M253-L257 HydrophobicContact SD-CG 4.15Å; M253-Y280 HydrophobicContact CE-CE1 4.04Å |
| 254 | A | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y245 S250 Q251 E252 K258 | Y245-A254 HydrophobicContact CD1-CB 4.13Å; Y245-A254 HydrophobicContact CG-CB 4.32Å; S250-A254 PolarHBondContact O-N 3.48Å; Q251-A254 PolarHBondContact O-N 2.85Å; E252-A254 PolarHBondContact O-N 3.23Å; A254-K258 VanDerWaalsContact O-CG 3.29Å; A254-K258 WeakPolarHBondContact O-CG 3.36Å; A254-K258 PolarHBondContact O-N 2.97Å |
| 255 | S | 98.4 | Very high | 97.6 | Very high | 43 Ų | 43 | 50 Ų | 50 | 30% | 0.301 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.2 | -38.7 | 177.8 | 67.9 | 0 | 0 | 0 | 0 | 113 | Q251 E252 M253 K258 K259 F278 | Q251-S255 VanDerWaalsContact O-CB 3.23Å; Q251-S255 WeakPolarHBondContact O-CB 3.41Å; Q251-S255 PolarHBondContact O-N 3.31Å; Q251-S255 PolarHBondContact O-OG 3.48Å; Q251-S255 VanDerWaalsContact O-OG 3.1Å; E252-S255 WeakPolarHBondContact CA-OG 3.26Å; E252-S255 PolarHBondContact O-N 2.81Å; E252-S255 PolarHBondContact O-OG 3.18Å; M253-S255 VanDerWaalsContact C-N 3.28Å; M253-S255 PolarHBondContact O-N 3.08Å; S255-K258 PolarHBondContact O-N 3.36Å; S255-K259 PolarHBondContact O-N 2.65Å; S255-F278 VanDerWaalsContact OG-CZ 3.31Å; S255-F278 WeakPolarHBondContact OG-CZ 3.31Å |
| 256 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 172.3 | 177.7 | 65.1 | 0 | 0 | 0 | 111.4 | I127 E252 M253 K258 K259 L260 F269 F278 Y280 M281 | I127-L256 HydrophobicContact CD1-CD2 3.72Å; I127-L256 HydrophobicContact CG2-CD2 4.31Å; E252-L256 PolarHBondContact O-N 2.97Å; M253-L256 PolarHBondContact O-N 3.39Å; L256-K258 VanDerWaalsContact C-N 3.29Å; L256-K258 PolarHBondContact O-N 3.12Å; L256-K259 WeakPolarHBondContact O-CB 3.43Å; L256-K259 PolarHBondContact O-N 3.11Å; L256-L260 HydrophobicContact CG-CD1 4.49Å; L256-L260 PolarHBondContact O-N 3.39Å; L256-L260 VanDerWaalsContact O-N 3.11Å; L256-F269 HydrophobicContact CD1-CD2 4.25Å; L256-F269 HydrophobicContact CD1-CE2 4.08Å; L256-F278 HydrophobicContact CB-CD1 4.38Å; L256-F278 HydrophobicContact CB-CE1 3.85Å; L256-F278 HydrophobicContact CD1-CD1 4.01Å; L256-F278 HydrophobicContact CD1-CE1 4.28Å; L256-Y280 HydrophobicContact CD2-CD1 4.08Å; L256-Y280 HydrophobicContact CD2-CE1 4.32Å; L256-M281 HydrophobicContact CD1-CE 4.36Å; L256-M281 HydrophobicContact CD2-CE 3.51Å |
| 257 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 178.6 | -70.4 | 176.1 | 0 | 0 | 0 | 111.9 | A213 Y214 L217 Y245 W249 M253 K259 L260 L261 | A213-L257 HydrophobicContact CB-CD2 3.66Å; Y214-L257 HydrophobicContact CD2-CD1 4.35Å; L217-L257 HydrophobicContact CD1-CD1 4.09Å; Y245-L257 HydrophobicContact CD1-CD1 4.45Å; Y245-L257 HydrophobicContact CE1-CB 3.76Å; Y245-L257 HydrophobicContact CE1-CD1 4.22Å; W249-L257 HydrophobicContact CE3-CD1 4.1Å; W249-L257 HydrophobicContact CH2-CD1 4.46Å; W249-L257 HydrophobicContact CZ3-CD1 3.66Å; M253-L257 HydrophobicContact CG-CD1 4.26Å; M253-L257 WeakPolarHBondContact O-CG 3.49Å; M253-L257 PolarHBondContact O-N 3.27Å; M253-L257 HydrophobicContact SD-CD1 4.35Å; M253-L257 HydrophobicContact SD-CG 4.15Å; L257-K259 VanDerWaalsContact C-N 3.3Å; L257-K259 PolarHBondContact O-N 3.35Å; L257-L260 PolarHBondContact O-N 2.87Å; L257-L261 VanDerWaalsContact O-CB 3.24Å; L257-L261 WeakPolarHBondContact O-CB 3.5Å; L257-L261 WeakPolarHBondContact O-CG 3.45Å; L257-L261 PolarHBondContact O-N 3.26Å |
| 258 | K | 98.6 | Very high | 97.8 | Very high | 103 Ų | 103 | 53.3 Ų | 53.3 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 173.7 | -74.8 | 169.8 | -176 | 175.3 | 0 | 112.2 | Y245 A254 S255 L256 L261 E262 | Y245-K258 HydrophobicContact CE1-CG 4.33Å; Y245-K258 HydrophobicContact CE2-CD 4.4Å; Y245-K258 HydrophobicContact CE2-CG 3.75Å; A254-K258 VanDerWaalsContact O-CG 3.29Å; A254-K258 WeakPolarHBondContact O-CG 3.36Å; A254-K258 PolarHBondContact O-N 2.97Å; S255-K258 PolarHBondContact O-N 3.36Å; L256-K258 VanDerWaalsContact C-N 3.29Å; L256-K258 PolarHBondContact O-N 3.12Å; K258-L261 CarbonylContact O-C 3.3Å; K258-L261 PolarHBondContact O-N 3.12Å; K258-E262 PolarHBondContact O-N 3.41Å; K258-E262 VanDerWaalsContact O-N 3.13Å |
| 259 | K | 98.6 | Very high | 98 | Very high | 82 Ų | 82 | 50.2 Ų | 50.2 | 36% | 0.357 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.1 | -32.1 | 177.9 | -72.9 | -62.9 | -171.8 | -177.7 | 0 | 113.9 | S255 L256 L257 R268 F269 | S255-K259 PolarHBondContact O-N 2.65Å; L256-K259 WeakPolarHBondContact O-CB 3.43Å; L256-K259 PolarHBondContact O-N 3.11Å; L257-K259 VanDerWaalsContact C-N 3.3Å; L257-K259 PolarHBondContact O-N 3.35Å; K259-R268 WeakPolarHBondContact O-CA 3.44Å; K259-R268 WeakPolarHBondContact O-CG 3.26Å; K259-F269 HydrophobicContact CB-CD1 3.89Å; K259-F269 HydrophobicContact CB-CD2 3.78Å; K259-F269 HydrophobicContact CB-CE1 3.91Å; K259-F269 HydrophobicContact CB-CE2 3.8Å; K259-F269 HydrophobicContact CB-CG 3.85Å; K259-F269 HydrophobicContact CB-CZ 3.88Å; K259-F269 HydrophobicContact CD-CD1 4.31Å; K259-F269 HydrophobicContact CD-CE1 3.91Å; K259-F269 HydrophobicContact CD-CZ 4.31Å; K259-F269 HydrophobicContact CG-CD1 4.31Å; K259-F269 HydrophobicContact CG-CE1 3.87Å; K259-F269 HydrophobicContact CG-CE2 4.16Å; K259-F269 HydrophobicContact CG-CZ 3.79Å; K259-F269 PolarHBondContact O-N 3.2Å; K259-F269 VanDerWaalsContact O-N 3.12Å |
| 260 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.9 | -36.9 | 172 | -68.3 | 170.1 | 0 | 0 | 0 | 111.9 | W206 W207 L256 L257 E262 R268 F269 | W206-L260 HydrophobicContact CB-CD2 4.42Å; W206-L260 HydrophobicContact CE3-CD2 4.06Å; W207-L260 WeakPolarHBondContact CA-O 3.41Å; L256-L260 HydrophobicContact CG-CD1 4.49Å; L256-L260 PolarHBondContact O-N 3.39Å; L256-L260 VanDerWaalsContact O-N 3.11Å; L257-L260 PolarHBondContact O-N 2.87Å; L260-E262 PolarHBondContact O-N 2.95Å; L260-R268 WeakPolarHBondContact O-CD 3.42Å; L260-R268 VanDerWaalsContact O-CG 3.27Å; L260-R268 WeakPolarHBondContact O-CG 3.3Å; L260-F269 HydrophobicContact CD2-CB 4.13Å |
| 261 | L | 98.7 | Very high | 98 | Very high | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 29.4 | 178.4 | -64.6 | 175.1 | 0 | 0 | 0 | 112.5 | W207 V211 P222 L257 K258 | W207-L261 HydrophobicContact CD2-CD2 4.21Å; W207-L261 HydrophobicContact CE3-CD2 4.32Å; W207-L261 HydrophobicContact CH2-CD2 4.38Å; W207-L261 HydrophobicContact CZ2-CD2 4.27Å; W207-L261 HydrophobicContact CZ3-CB 4.29Å; W207-L261 HydrophobicContact CZ3-CD2 4.43Å; W207-L261 VanDerWaalsContact CZ3-O 3.23Å; W207-L261 WeakPolarHBondContact CZ3-O 3.38Å; V211-L261 HydrophobicContact CB-CD2 4.45Å; V211-L261 HydrophobicContact CG2-CD2 3.6Å; P222-L261 HydrophobicContact CB-CD1 4.47Å; P222-L261 HydrophobicContact CG-CD1 4.26Å; L257-L261 VanDerWaalsContact O-CB 3.24Å; L257-L261 WeakPolarHBondContact O-CB 3.5Å; L257-L261 WeakPolarHBondContact O-CG 3.45Å; L257-L261 PolarHBondContact O-N 3.26Å; K258-L261 CarbonylContact O-C 3.3Å; K258-L261 PolarHBondContact O-N 3.12Å |
| 262 | E | 98.3 | Very high | 98 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | trans | -73.5 | 132.4 | 173.7 | -96.6 | -55.8 | -173.2 | 0 | 0 | 111.2 | W207 K258 L260 R268 | W207-E262 WeakPolarHBondContact CZ3-O 3.33Å; K258-E262 PolarHBondContact O-N 3.41Å; K258-E262 VanDerWaalsContact O-N 3.13Å; L260-E262 PolarHBondContact O-N 2.95Å; E262-R268 HydrophobicContact CB-CB 4Å; E262-R268 HydrophobicContact CB-CG 4.29Å; E262-R268 VanDerWaalsContact O-CZ 3.23Å; E262-R268 PolarHBondContact O-NE 3.08Å; E262-R268 PolarHBondContact O-NH2 3.12Å | ||
| 263 | L | 97 | Very high | 98 | Very high | 69 Ų | 69 | 45.2 Ų | 45.2 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -69.8 | -37.1 | -175.6 | -65.1 | 179.6 | 0 | 0 | 0 | 111.7 | P189 W207 F238 P265 R268 | P189-L263 HydrophobicContact CB-CD2 4.49Å; P189-L263 HydrophobicContact CG-CD2 3.6Å; W207-L263 HydrophobicContact CH2-CD2 3.62Å; W207-L263 HydrophobicContact CZ3-CD2 3.88Å; F238-L263 HydrophobicContact CB-CD2 4.11Å; F238-L263 HydrophobicContact CD1-CD2 4.22Å; F238-L263 HydrophobicContact CG-CD2 4.38Å; F238-L263 WeakPolarHBondContact O-CD1 3.15Å; L263-P265 WeakPolarHBondContact O-CD 3.38Å; L263-R268 PolarHBondContact O-NH2 2.78Å |
| 264 | N | 96 | Very high | 98 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 34% | 0.337 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -82.4 | 115.9 | 174.6 | -176 | -4.4 | 0 | 0 | 0 | 109.7 | D266 Q267 R268 | N264-D266 PolarHBondContact O-N 2.93Å; N264-D266 PolarHBondContact OD1-N 3.02Å; N264-Q267 HydrophobicContact CB-CB 4.39Å; N264-Q267 HydrophobicContact CB-CG 4.36Å; N264-Q267 PolarHBondContact O-N 3.32Å; N264-Q267 VanDerWaalsContact O-N 3.07Å; N264-R268 PolarHBondContact O-N 3.26Å |
| 265 | P | 96.6 | Very high | 98 | Very high | 36 Ų | 36 | 47.3 Ų | 47.3 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -59.9 | -27.3 | 179.9 | 25.2 | -35.1 | 0 | 0 | 0 | 113.4 | E190 A203 L263 Q267 R268 | E190-P265 HydrophobicContact CB-CG 4.39Å; E190-P265 HydrophobicContact CG-CG 4.42Å; A203-P265 HydrophobicContact CB-CB 4.03Å; L263-P265 WeakPolarHBondContact O-CD 3.38Å; P265-Q267 PolarHBondContact O-N 3.28Å; P265-R268 PolarHBondContact O-N 2.95Å |
| 266 | D | 95.9 | Very high | 98 | Very high | 146 Ų | 146 | 48.6 Ų | 48.6 | 78% | 0.781 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -73.4 | -17.1 | 179.7 | -58.8 | -32.4 | 0 | 0 | 0 | 113.1 | N264 | N264-D266 PolarHBondContact O-N 2.93Å; N264-D266 PolarHBondContact OD1-N 3.02Å |
| 267 | Q | 97.6 | Very high | 97.9 | Very high | 118 Ų | 118 | 54.7 Ų | 54.7 | 55% | 0.551 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -105.8 | -6.7 | 176.9 | -63.2 | -177 | -3.2 | 0 | 0 | 112.6 | N264 P265 | N264-Q267 HydrophobicContact CB-CB 4.39Å; N264-Q267 HydrophobicContact CB-CG 4.36Å; N264-Q267 PolarHBondContact O-N 3.32Å; N264-Q267 VanDerWaalsContact O-N 3.07Å; P265-Q267 PolarHBondContact O-N 3.28Å |
| 268 | R | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -80.1 | 142.9 | 179.8 | -166.4 | -174.2 | -61.3 | 143.9 | 4.6 | 109.8 | E190 A203 K259 L260 E262 L263 N264 P265 S270 | E190-R268 IonicContact OE1-CZ 3.46Å; E190-R268 IonicContact OE1-NH1 2.62Å; E190-R268 PolarHBondContact OE1-NH1 2.75Å; E190-R268 IonicContact OE1-NH2 3.94Å; E190-R268 IonicContact OE2-CZ 3.58Å; E190-R268 IonicContact OE2-NH1 3.43Å; E190-R268 PolarHBondContact OE2-NH1 2.79Å; E190-R268 IonicContact OE2-NH2 2.7Å; E190-R268 PolarHBondContact OE2-NH2 2.9Å; A203-R268 PolarHBondContact O-NH1 3.13Å; K259-R268 WeakPolarHBondContact O-CA 3.44Å; K259-R268 WeakPolarHBondContact O-CG 3.26Å; L260-R268 WeakPolarHBondContact O-CD 3.42Å; L260-R268 VanDerWaalsContact O-CG 3.27Å; L260-R268 WeakPolarHBondContact O-CG 3.3Å; E262-R268 HydrophobicContact CB-CB 4Å; E262-R268 HydrophobicContact CB-CG 4.29Å; E262-R268 VanDerWaalsContact O-CZ 3.23Å; E262-R268 PolarHBondContact O-NE 3.08Å; E262-R268 PolarHBondContact O-NH2 3.12Å; L263-R268 PolarHBondContact O-NH2 2.78Å; N264-R268 PolarHBondContact O-N 3.26Å; P265-R268 PolarHBondContact O-N 2.95Å; R268-S270 PolarHBondContact O-N 2.7Å |
| 269 | F | 98.6 | Very high | 97.9 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | trans | -58 | 127.6 | 166.9 | -75.6 | 1.9 | 0 | 0 | 0 | 109.7 | W206 L256 K259 L260 D274 V275 F278 | W206-F269 WeakPolarHBondContact CB-O 3.14Å; L256-F269 HydrophobicContact CD1-CD2 4.25Å; L256-F269 HydrophobicContact CD1-CE2 4.08Å; K259-F269 HydrophobicContact CB-CD1 3.89Å; K259-F269 HydrophobicContact CB-CD2 3.78Å; K259-F269 HydrophobicContact CB-CE1 3.91Å; K259-F269 HydrophobicContact CB-CE2 3.8Å; K259-F269 HydrophobicContact CB-CG 3.85Å; K259-F269 HydrophobicContact CB-CZ 3.88Å; K259-F269 HydrophobicContact CD-CD1 4.31Å; K259-F269 HydrophobicContact CD-CE1 3.91Å; K259-F269 HydrophobicContact CD-CZ 4.31Å; K259-F269 HydrophobicContact CG-CD1 4.31Å; K259-F269 HydrophobicContact CG-CE1 3.87Å; K259-F269 HydrophobicContact CG-CE2 4.16Å; K259-F269 HydrophobicContact CG-CZ 3.79Å; K259-F269 PolarHBondContact O-N 3.2Å; K259-F269 VanDerWaalsContact O-N 3.12Å; L260-F269 HydrophobicContact CD2-CB 4.13Å; F269-D274 HydrophobicContact CB-CB 4.08Å; F269-D274 HydrophobicContact CD1-CB 3.64Å; F269-D274 HydrophobicContact CD2-CB 4.21Å; F269-D274 HydrophobicContact CE1-CB 4.01Å; F269-D274 HydrophobicContact CG-CB 3.73Å; F269-D274 HydrophobicContact CZ-CB 4.44Å; F269-D274 WeakPolarHBondContact CZ-O 3.46Å; F269-V275 HydrophobicContact CD2-CG2 3.89Å; F269-V275 HydrophobicContact CE2-CG2 4.5Å; F269-F278 HydrophobicContact CE2-CB 4.16Å; F269-F278 HydrophobicContact CE2-CD2 4.06Å; F269-F278 HydrophobicContact CE2-CG 4.05Å; F269-F278 HydrophobicContact CZ-CB 4.32Å; F269-F278 AromaticContact CZ-CD2 3.74Å; F269-F278 HydrophobicContact CZ-CD2 3.74Å; F269-F278 HydrophobicContact CZ-CE2 4.36Å; F269-F278 HydrophobicContact CZ-CG 4.17Å | ||
| 270 | S | 97.9 | Very high | 97.9 | Very high | 28 Ų | 28 | 53.5 Ų | 53.5 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | trans | -146.3 | 10.7 | -174.6 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | Q138 W206 R268 D274 | Q138-S270 PolarHBondContact NE2-O 2.81Å; Q138-S270 PolarHBondContact OE1-O 2.74Å; W206-S270 VanDerWaalsContact CZ2-C 3.45Å; W206-S270 PolarHBondContact NE1-O 3.01Å; R268-S270 PolarHBondContact O-N 2.7Å; S270-D274 PolarHBondContact N-OD2 3.12Å | ||
| 271 | Q | 98.1 | Very high | 97.8 | Very high | 89 Ų | 89 | 53.6 Ų | 53.6 | 42% | 0.416 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -144 | 154 | 176.4 | -60 | -175.8 | 10.2 | 0 | 0 | 110.7 | W206 S273 D274 | W206-Q271 WeakPolarHBondContact CH2-O 3.24Å; Q271-S273 PolarHBondContact O-N 3.49Å; Q271-D274 PolarHBondContact N-OD2 3.17Å; Q271-D274 VanDerWaalsContact N-OD2 3.12Å; Q271-D274 WeakPolarHBondContact O-CB 3.27Å; Q271-D274 PolarHBondContact O-N 2.84Å; Q271-D274 VanDerWaalsContact O-N 3.13Å |
| 272 | L | 98.3 | Very high | 97.7 | Very high | 23 Ų | 23 | 59.3 Ų | 59.3 | 12% | 0.12 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.4 | -39 | 177.4 | 177.4 | 60.7 | 0 | 0 | 0 | 111.8 | V131 M132 D135 D274 V275 Q276 W286 | V131-L272 HydrophobicContact CG2-CD1 3.85Å; M132-L272 HydrophobicContact CG-CD1 4.01Å; M132-L272 HydrophobicContact CG-CD2 4.45Å; D135-L272 HydrophobicContact CB-CB 3.67Å; D135-L272 VanDerWaalsContact CG-CB 3.41Å; D135-L272 WeakPolarHBondContact OD1-CB 3.32Å; D135-L272 PolarHBondContact OD1-N 3.22Å; L272-D274 VanDerWaalsContact C-N 3.26Å; L272-D274 PolarHBondContact O-N 3.01Å; L272-V275 PolarHBondContact O-N 2.83Å; L272-V275 VanDerWaalsContact O-N 3.12Å; L272-Q276 HydrophobicContact CD1-CG 4.05Å; L272-Q276 HydrophobicContact CG-CG 3.99Å; L272-Q276 WeakPolarHBondContact O-CG 3.41Å; L272-Q276 PolarHBondContact O-N 3.1Å; L272-W286 HydrophobicContact CD1-CE3 3.95Å; L272-W286 HydrophobicContact CD1-CH2 4.03Å; L272-W286 HydrophobicContact CD1-CZ3 3.57Å |
| 273 | S | 98.2 | Very high | 97.7 | Very high | 43 Ų | 43 | 61.7 Ų | 61.7 | 30% | 0.301 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.8 | -33.6 | 178.6 | 53.5 | 0 | 0 | 0 | 0 | 113.3 | Q271 V275 Q276 N277 | Q271-S273 PolarHBondContact O-N 3.49Å; S273-V275 VanDerWaalsContact C-N 3.25Å; S273-V275 PolarHBondContact O-N 2.76Å; S273-Q276 PolarHBondContact O-N 3.48Å; S273-N277 VanDerWaalsContact O-CB 3.32Å; S273-N277 WeakPolarHBondContact O-CB 3.31Å; S273-N277 VanDerWaalsContact O-CG 3.26Å; S273-N277 PolarHBondContact O-N 3.21Å; S273-N277 PolarHBondContact O-ND2 3.34Å |
| 274 | D | 98.3 | Very high | 97.7 | Very high | 50 Ų | 50 | 59.3 Ų | 59.3 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 178.5 | -60.9 | -28.7 | 0 | 0 | 0 | 110.8 | F269 S270 Q271 L272 | F269-D274 HydrophobicContact CB-CB 4.08Å; F269-D274 HydrophobicContact CD1-CB 3.64Å; F269-D274 HydrophobicContact CD2-CB 4.21Å; F269-D274 HydrophobicContact CE1-CB 4.01Å; F269-D274 HydrophobicContact CG-CB 3.73Å; F269-D274 HydrophobicContact CZ-CB 4.44Å; F269-D274 WeakPolarHBondContact CZ-O 3.46Å; S270-D274 PolarHBondContact N-OD2 3.12Å; Q271-D274 PolarHBondContact N-OD2 3.17Å; Q271-D274 VanDerWaalsContact N-OD2 3.12Å; Q271-D274 WeakPolarHBondContact O-CB 3.27Å; Q271-D274 PolarHBondContact O-N 2.84Å; Q271-D274 VanDerWaalsContact O-N 3.13Å; L272-D274 VanDerWaalsContact C-N 3.26Å; L272-D274 PolarHBondContact O-N 3.01Å |
| 275 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -80.2 | -41 | -179.5 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | V131 W206 F269 L272 S273 N277 F278 M281 W286 | V131-V275 HydrophobicContact CB-CG2 4.49Å; V131-V275 HydrophobicContact CG1-CG2 4.12Å; V131-V275 HydrophobicContact CG2-CB 4.43Å; V131-V275 HydrophobicContact CG2-CG1 4.24Å; W206-V275 HydrophobicContact CZ3-CG2 3.81Å; F269-V275 HydrophobicContact CD2-CG2 3.89Å; F269-V275 HydrophobicContact CE2-CG2 4.5Å; L272-V275 PolarHBondContact O-N 2.83Å; L272-V275 VanDerWaalsContact O-N 3.12Å; S273-V275 VanDerWaalsContact C-N 3.25Å; S273-V275 PolarHBondContact O-N 2.76Å; V275-N277 VanDerWaalsContact C-N 3.31Å; V275-N277 PolarHBondContact O-N 3.13Å; V275-F278 VanDerWaalsContact O-CB 3.3Å; V275-F278 WeakPolarHBondContact O-CB 3.39Å; V275-F278 PolarHBondContact O-N 3.34Å; V275-F278 VanDerWaalsContact O-N 3.15Å; V275-M281 HydrophobicContact CG1-CE 3.81Å; V275-M281 HydrophobicContact CG1-CG 3.94Å; V275-M281 WeakPolarHBondContact O-CB 3.39Å; V275-M281 WeakPolarHBondContact O-CG 3.38Å; V275-W286 HydrophobicContact CB-CH2 4.48Å; V275-W286 HydrophobicContact CG1-CH2 3.88Å; V275-W286 HydrophobicContact CG1-CZ2 4.23Å |
| 276 | Q | 98.1 | Very high | 97.9 | Very high | 69 Ų | 69 | 60.5 Ų | 60.5 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.5 | -41 | 176.9 | -75 | -177.8 | -38.2 | 0 | 0 | 112.5 | L272 S273 F278 W286 | L272-Q276 HydrophobicContact CD1-CG 4.05Å; L272-Q276 HydrophobicContact CG-CG 3.99Å; L272-Q276 WeakPolarHBondContact O-CG 3.41Å; L272-Q276 PolarHBondContact O-N 3.1Å; S273-Q276 PolarHBondContact O-N 3.48Å; Q276-F278 PolarHBondContact O-N 3.14Å; Q276-W286 HydrophobicContact CB-CZ2 4.4Å; Q276-W286 HydrophobicContact CG-CD2 3.83Å; Q276-W286 VanDerWaalsContact CG-CE2 3.45Å; Q276-W286 HydrophobicContact CG-CE3 4.42Å; Q276-W286 HydrophobicContact CG-CG 4.2Å; Q276-W286 HydrophobicContact CG-CH2 4.29Å; Q276-W286 HydrophobicContact CG-CZ2 3.7Å |
| 277 | N | 97.9 | Very high | 98 | Very high | 128 Ų | 128 | 59 Ų | 59 | 68% | 0.684 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.6 | -179.7 | -65.4 | -39.6 | 0 | 0 | 0 | 113.3 | S273 V275 | S273-N277 VanDerWaalsContact O-CB 3.32Å; S273-N277 WeakPolarHBondContact O-CB 3.31Å; S273-N277 VanDerWaalsContact O-CG 3.26Å; S273-N277 PolarHBondContact O-N 3.21Å; S273-N277 PolarHBondContact O-ND2 3.34Å; V275-N277 VanDerWaalsContact C-N 3.31Å; V275-N277 PolarHBondContact O-N 3.13Å |
| 278 | F | 98.3 | Very high | 98 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -77.7 | 129.5 | -179.5 | -167.9 | -117.6 | 0 | 0 | 0 | 110.3 | S255 L256 F269 V275 Q276 Y280 M281 | S255-F278 VanDerWaalsContact OG-CZ 3.31Å; S255-F278 WeakPolarHBondContact OG-CZ 3.31Å; L256-F278 HydrophobicContact CB-CD1 4.38Å; L256-F278 HydrophobicContact CB-CE1 3.85Å; L256-F278 HydrophobicContact CD1-CD1 4.01Å; L256-F278 HydrophobicContact CD1-CE1 4.28Å; F269-F278 HydrophobicContact CE2-CB 4.16Å; F269-F278 HydrophobicContact CE2-CD2 4.06Å; F269-F278 HydrophobicContact CE2-CG 4.05Å; F269-F278 HydrophobicContact CZ-CB 4.32Å; F269-F278 AromaticContact CZ-CD2 3.74Å; F269-F278 HydrophobicContact CZ-CD2 3.74Å; F269-F278 HydrophobicContact CZ-CE2 4.36Å; F269-F278 HydrophobicContact CZ-CG 4.17Å; V275-F278 VanDerWaalsContact O-CB 3.3Å; V275-F278 WeakPolarHBondContact O-CB 3.39Å; V275-F278 PolarHBondContact O-N 3.34Å; V275-F278 VanDerWaalsContact O-N 3.15Å; Q276-F278 PolarHBondContact O-N 3.14Å; F278-Y280 PolarHBondContact O-N 3.31Å; F278-M281 WeakPolarHBondContact O-CB 3.4Å; F278-M281 PolarHBondContact O-N 3.47Å |
| 279 | P | 97.8 | Very high | 98 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 60% | 0.597 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -54.6 | -29.9 | -172.1 | -30.5 | 36 | 0 | 0 | 0 | 115.5 | M281 N282 | P279-M281 PolarHBondContact O-N 3.05Å; P279-N282 WeakPolarHBondContact O-CB 3.12Å; P279-N282 VanDerWaalsContact O-CG 3.31Å; P279-N282 PolarHBondContact O-N 3.23Å; P279-N282 PolarHBondContact O-ND2 3.45Å |
| 280 | Y | 98.1 | Very high | 98 | Very high | 36 Ų | 36 | 57 Ų | 57 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -64.9 | -18.4 | 176.1 | -175 | -137.6 | 0 | 0 | 0 | 113.7 | K124 E252 M253 L256 F278 D283 | K124-Y280 HydrophobicContact CB-CE1 4.23Å; K124-Y280 HydrophobicContact CD-CD1 4.43Å; K124-Y280 HydrophobicContact CD-CE1 3.76Å; K124-Y280 HydrophobicContact CD-CE2 4.09Å; K124-Y280 WeakPolarHBondContact CE-O 3.49Å; K124-Y280 HydrophobicContact CG-CD1 4.42Å; K124-Y280 HydrophobicContact CG-CE1 3.7Å; K124-Y280 PolarHBondContact NZ-O 2.88Å; E252-Y280 HydrophobicContact CB-CD1 4.29Å; E252-Y280 HydrophobicContact CB-CD2 3.26Å; E252-Y280 HydrophobicContact CB-CE2 3.69Å; E252-Y280 HydrophobicContact CB-CG 3.59Å; E252-Y280 HydrophobicContact CG-CD2 3.89Å; E252-Y280 HydrophobicContact CG-CE2 4.47Å; E252-Y280 HydrophobicContact CG-CG 4.45Å; M253-Y280 HydrophobicContact CE-CE1 4.04Å; L256-Y280 HydrophobicContact CD2-CD1 4.08Å; L256-Y280 HydrophobicContact CD2-CE1 4.32Å; F278-Y280 PolarHBondContact O-N 3.31Å; Y280-D283 VanDerWaalsContact O-OD1 3.09Å |
| 281 | M | 98 | Very high | 98 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -101.4 | 5.6 | -177.8 | -59.3 | -58.5 | -173.9 | 0 | 0 | 113.6 | K124 I127 L256 V275 F278 P279 D283 I284 W286 | K124-M281 HydrophobicContact CG-CE 4.2Å; K124-M281 HydrophobicContact CG-SD 4.12Å; I127-M281 HydrophobicContact CG2-CE 4.4Å; L256-M281 HydrophobicContact CD1-CE 4.36Å; L256-M281 HydrophobicContact CD2-CE 3.51Å; V275-M281 HydrophobicContact CG1-CE 3.81Å; V275-M281 HydrophobicContact CG1-CG 3.94Å; V275-M281 WeakPolarHBondContact O-CB 3.39Å; V275-M281 WeakPolarHBondContact O-CG 3.38Å; F278-M281 WeakPolarHBondContact O-CB 3.4Å; F278-M281 PolarHBondContact O-N 3.47Å; P279-M281 PolarHBondContact O-N 3.05Å; M281-D283 PolarHBondContact O-N 3.01Å; M281-D283 VanDerWaalsContact O-N 3.15Å; M281-I284 HydrophobicContact CB-CG1 4.35Å; M281-I284 WeakPolarHBondContact O-CB 3.48Å; M281-I284 PolarHBondContact O-N 2.66Å; M281-I284 HydrophobicContact SD-CG1 3.97Å; M281-W286 HydrophobicContact CB-CZ2 4.19Å; M281-W286 HydrophobicContact CG-CZ2 4.35Å |
| 282 | N | 96.5 | Very high | 98 | Very high | 130 Ų | 130 | 58.8 Ų | 58.8 | 70% | 0.695 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.2 | -178 | -74.4 | -10.9 | 0 | 0 | 0 | 113.9 | P279 | P279-N282 WeakPolarHBondContact O-CB 3.12Å; P279-N282 VanDerWaalsContact O-CG 3.31Å; P279-N282 PolarHBondContact O-N 3.23Å; P279-N282 PolarHBondContact O-ND2 3.45Å |
| 283 | D | 96.9 | Very high | 98 | Very high | 113 Ų | 113 | 66.1 Ų | 66.1 | 60% | 0.604 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -4.5 | 177.2 | 62.3 | -42.3 | 0 | 0 | 0 | 113.5 | K124 Y280 M281 | K124-D283 IonicContact NZ-OD1 3.47Å; K124-D283 PolarHBondContact NZ-OD1 3.12Å; K124-D283 IonicContact NZ-OD2 3.06Å; K124-D283 PolarHBondContact NZ-OD2 3.44Å; Y280-D283 VanDerWaalsContact O-OD1 3.09Å; M281-D283 PolarHBondContact O-N 3.01Å; M281-D283 VanDerWaalsContact O-N 3.15Å |
| 284 | I | 98.2 | Very high | 97.9 | Very high | 19 Ų | 19 | 66.7 Ų | 66.7 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | trans | -90 | 120.5 | -175.6 | -57.8 | -58.1 | 0 | 0 | 0 | 110.9 | K124 L125 M281 W286 V289 | K124-I284 HydrophobicContact CD-CD1 4.43Å; L125-I284 HydrophobicContact CD2-CD1 4.19Å; M281-I284 HydrophobicContact CB-CG1 4.35Å; M281-I284 WeakPolarHBondContact O-CB 3.48Å; M281-I284 PolarHBondContact O-N 2.66Å; M281-I284 HydrophobicContact SD-CG1 3.97Å; I284-W286 HydrophobicContact CG2-CD2 4.08Å; I284-W286 HydrophobicContact CG2-CG 4.34Å; I284-W286 HydrophobicContact CG2-CZ2 4.31Å; I284-W286 PolarHBondContact O-N 3.4Å; I284-V289 HydrophobicContact CG2-CG2 3.64Å | ||
| 285 | N | 98.1 | Very high | 97.6 | Very high | 90 Ų | 90 | 68.9 Ų | 68.9 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | trans | -84.8 | 103.4 | 166.1 | -178.4 | -26.1 | 0 | 0 | 0 | 109.9 | D287 A288 V289 | N285-D287 PolarHBondContact O-N 2.91Å; N285-D287 PolarHBondContact OD1-N 3.06Å; N285-D287 VanDerWaalsContact OD1-N 3.14Å; N285-A288 HydrophobicContact CB-CB 3.89Å; N285-A288 WeakPolarHBondContact O-CB 3.37Å; N285-A288 PolarHBondContact O-N 3.08Å; N285-A288 VanDerWaalsContact O-N 3.15Å; N285-A288 PolarHBondContact OD1-N 3.21Å; N285-V289 WeakPolarHBondContact O-CG2 3.46Å; N285-V289 PolarHBondContact O-N 3.42Å | ||
| 286 | W | 98.3 | Very high | 97.3 | Very high | 33 Ų | 33 | 68.9 Ų | 68.9 | 13% | 0.125 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.3 | -29.5 | -175.3 | -67 | 90.6 | 0 | 0 | 0 | 114.3 | C128 V131 M132 L272 V275 Q276 M281 I284 A288 V289 F290 | C128-W286 HydrophobicContact CB-CH2 4.2Å; C128-W286 HydrophobicContact CB-CZ3 4.03Å; V131-W286 HydrophobicContact CG2-CH2 3.91Å; V131-W286 HydrophobicContact CG2-CZ3 3.84Å; M132-W286 HydrophobicContact CG-CE3 4.01Å; M132-W286 HydrophobicContact CG-CZ3 4.02Å; M132-W286 HydrophobicContact SD-CE3 4.02Å; L272-W286 HydrophobicContact CD1-CE3 3.95Å; L272-W286 HydrophobicContact CD1-CH2 4.03Å; L272-W286 HydrophobicContact CD1-CZ3 3.57Å; V275-W286 HydrophobicContact CB-CH2 4.48Å; V275-W286 HydrophobicContact CG1-CH2 3.88Å; V275-W286 HydrophobicContact CG1-CZ2 4.23Å; Q276-W286 HydrophobicContact CB-CZ2 4.4Å; Q276-W286 HydrophobicContact CG-CD2 3.83Å; Q276-W286 VanDerWaalsContact CG-CE2 3.45Å; Q276-W286 HydrophobicContact CG-CE3 4.42Å; Q276-W286 HydrophobicContact CG-CG 4.2Å; Q276-W286 HydrophobicContact CG-CH2 4.29Å; Q276-W286 HydrophobicContact CG-CZ2 3.7Å; M281-W286 HydrophobicContact CB-CZ2 4.19Å; M281-W286 HydrophobicContact CG-CZ2 4.35Å; I284-W286 HydrophobicContact CG2-CD2 4.08Å; I284-W286 HydrophobicContact CG2-CG 4.34Å; I284-W286 HydrophobicContact CG2-CZ2 4.31Å; I284-W286 PolarHBondContact O-N 3.4Å; W286-A288 VanDerWaalsContact C-N 3.31Å; W286-V289 WeakPolarHBondContact O-CB 3.49Å; W286-V289 PolarHBondContact O-N 3.39Å; W286-F290 PolarHBondContact O-N 2.95Å |
| 287 | D | 98.3 | Very high | 96.7 | Very high | 116 Ų | 116 | 68.9 Ų | 68.9 | 62% | 0.62 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.8 | -38.5 | 172 | -66.2 | -46.9 | 0 | 0 | 0 | 110.8 | N285 F290 Q291 | N285-D287 PolarHBondContact O-N 2.91Å; N285-D287 PolarHBondContact OD1-N 3.06Å; N285-D287 VanDerWaalsContact OD1-N 3.14Å; D287-F290 PolarHBondContact O-N 3.05Å; D287-Q291 WeakPolarHBondContact O-CB 3.46Å; D287-Q291 WeakPolarHBondContact O-CG 3.48Å; D287-Q291 PolarHBondContact O-N 3.24Å |
| 288 | A | 98.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 64.9 Ų | 64.9 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.1 | -35.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N285 W286 K292 R293 L294 | N285-A288 HydrophobicContact CB-CB 3.89Å; N285-A288 WeakPolarHBondContact O-CB 3.37Å; N285-A288 PolarHBondContact O-N 3.08Å; N285-A288 VanDerWaalsContact O-N 3.15Å; N285-A288 PolarHBondContact OD1-N 3.21Å; W286-A288 VanDerWaalsContact C-N 3.31Å; A288-K292 PolarHBondContact O-N 2.75Å; A288-R293 HydrophobicContact CB-CB 4.12Å; A288-R293 PolarHBondContact O-N 3.35Å; A288-L294 HydrophobicContact CB-CD1 4.48Å; A288-L294 HydrophobicContact CB-CD2 4.13Å; A288-L294 HydrophobicContact CB-CG 3.97Å |
| 289 | V | 98.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.3 | -58.9 | 169.1 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | F82 C128 E129 M132 I284 N285 W286 Q291 K292 L294 | F82-V289 HydrophobicContact CE2-CG1 3.95Å; F82-V289 HydrophobicContact CZ-CG1 3.99Å; F82-V289 VanDerWaalsContact CZ-O 3.22Å; F82-V289 WeakPolarHBondContact CZ-O 3.46Å; C128-V289 HydrophobicContact CB-CG1 4.21Å; C128-V289 HydrophobicContact CB-CG2 4.27Å; E129-V289 HydrophobicContact CG-CG1 4.03Å; M132-V289 HydrophobicContact SD-CB 4.16Å; M132-V289 HydrophobicContact SD-CG1 3.71Å; I284-V289 HydrophobicContact CG2-CG2 3.64Å; N285-V289 WeakPolarHBondContact O-CG2 3.46Å; N285-V289 PolarHBondContact O-N 3.42Å; W286-V289 WeakPolarHBondContact O-CB 3.49Å; W286-V289 PolarHBondContact O-N 3.39Å; V289-Q291 PolarHBondContact O-N 2.75Å; V289-Q291 VanDerWaalsContact O-N 3.1Å; V289-K292 WeakPolarHBondContact O-CA 3.47Å; V289-K292 PolarHBondContact O-N 3.1Å; V289-L294 HydrophobicContact CG2-CD1 3.75Å; V289-L294 HydrophobicContact CG2-CG 4.49Å |
| 290 | F | 98.2 | Very high | 95.1 | Very high | 92 Ų | 92 | 63.5 Ų | 63.5 | 40% | 0.404 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53.5 | -38.2 | -177.4 | -171.1 | -100.2 | 0 | 0 | 0 | 113.6 | H80 P81 M132 W286 D287 K292 | H80-F290 AromaticContact NE2-CE2 3.87Å; P81-F290 HydrophobicContact CG-CD2 3.76Å; P81-F290 HydrophobicContact CG-CE2 3.56Å; P81-F290 HydrophobicContact CG-CG 4.36Å; P81-F290 HydrophobicContact CG-CZ 3.98Å; M132-F290 HydrophobicContact CE-CB 3.87Å; M132-F290 HydrophobicContact CE-CD2 3.65Å; M132-F290 HydrophobicContact CE-CG 4.2Å; M132-F290 HydrophobicContact SD-CB 4.29Å; W286-F290 PolarHBondContact O-N 2.95Å; D287-F290 PolarHBondContact O-N 3.05Å; F290-K292 PolarHBondContact O-N 3.1Å |
| 291 | Q | 98.1 | Very high | 94.3 | Very high | 95 Ų | 95 | 67.8 Ų | 67.8 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 9.7 | -179.8 | -63.9 | 168.4 | 14 | 0 | 0 | 113.3 | D287 V289 R293 | D287-Q291 WeakPolarHBondContact O-CB 3.46Å; D287-Q291 WeakPolarHBondContact O-CG 3.48Å; D287-Q291 PolarHBondContact O-N 3.24Å; V289-Q291 PolarHBondContact O-N 2.75Å; V289-Q291 VanDerWaalsContact O-N 3.1Å; Q291-R293 HydrophobicContact CB-CG 4.09Å; Q291-R293 PolarHBondContact O-N 3.45Å |
| 292 | K | 97.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 75.6 Ų | 75.6 | 26% | 0.261 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 33.6 | -179.8 | -64.3 | -174.4 | 171.4 | -169 | 0 | 113.8 | P81 F82 D155 H159 H161 A288 V289 F290 | P81-K292 WeakPolarHBondContact O-CE 3.34Å; P81-K292 PolarHBondContact O-NZ 2.59Å; F82-K292 HydrophobicContact CE1-CG 3.89Å; F82-K292 HydrophobicContact CZ-CG 4.22Å; D155-K292 IonicContact OD2-NZ 3.57Å; D155-K292 PolarHBondContact OD2-NZ 3.35Å; D155-K292 VanDerWaalsContact OD2-NZ 3.14Å; H159-K292 PolarHBondContact NE2-O 3.39Å; H161-K292 PolarHBondContact CE1-NZ 3.1Å; H161-K292 PolarHBondContact NE2-NZ 3.22Å; A288-K292 PolarHBondContact O-N 2.75Å; V289-K292 WeakPolarHBondContact O-CA 3.47Å; V289-K292 PolarHBondContact O-N 3.1Å; F290-K292 PolarHBondContact O-N 3.1Å |
| 293 | R | 97.4 | Very high | 91 | Very high | 176 Ų | 176 | 73.5 Ų | 73.5 | 66% | 0.664 | 39% | 0.393 | S | S | * | . | trans | -85.2 | -22.4 | 177.8 | -62.7 | -176.5 | -172.2 | 172.8 | 1 | 112.7 | A288 Q291 | A288-R293 HydrophobicContact CB-CB 4.12Å; A288-R293 PolarHBondContact O-N 3.35Å; Q291-R293 HydrophobicContact CB-CG 4.09Å; Q291-R293 PolarHBondContact O-N 3.45Å | ||
| 294 | L | 96.1 | Very high | 89.5 | Confident | 55 Ų | 55 | 76 Ų | 76 | 29% | 0.288 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -91.4 | 99.9 | 174.8 | -57.6 | -170.4 | 0 | 0 | 0 | 109.3 | L125 H159 A288 V289 P296 | L125-L294 HydrophobicContact CD2-CB 4.27Å; L125-L294 HydrophobicContact CD2-CD1 4.17Å; H159-L294 PolarHBondContact CE1-O 2.92Å; H159-L294 VanDerWaalsContact CE1-O 3.31Å; A288-L294 HydrophobicContact CB-CD1 4.48Å; A288-L294 HydrophobicContact CB-CD2 4.13Å; A288-L294 HydrophobicContact CB-CG 3.97Å; V289-L294 HydrophobicContact CG2-CD1 3.75Å; V289-L294 HydrophobicContact CG2-CG 4.49Å; L294-P296 WeakPolarHBondContact O-CD 3.37Å |
| 295 | I | 93.5 | Very high | 88.1 | Confident | 96 Ų | 96 | 76.8 Ų | 76.8 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | trans | -78.9 | 124 | -177.6 | -56.3 | 177.3 | 0 | 0 | 0 | 109.5 | H157 I299 | H157-I295 WeakPolarHBondContact O-CG2 3.46Å; I295-I299 HydrophobicContact CG2-CD1 4.39Å | ||
| 296 | P | 91.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | trans | -61.2 | 144.5 | 174.3 | -25.7 | 37.7 | 0 | 0 | 0 | 112.2 | T122 L125 F126 G158 L294 F298 | T122-P296 HydrophobicContact CG2-CB 4.14Å; L125-P296 HydrophobicContact CB-CG 4.43Å; F126-P296 HydrophobicContact CD1-CB 4.09Å; F126-P296 HydrophobicContact CD1-CG 4.14Å; F126-P296 HydrophobicContact CE1-CB 3.55Å; F126-P296 HydrophobicContact CE1-CG 3.88Å; F126-P296 HydrophobicContact CZ-CB 4.47Å; G158-P296 WeakPolarHBondContact O-CG 3.19Å; L294-P296 WeakPolarHBondContact O-CD 3.37Å; P296-F298 PolarHBondContact O-N 3.08Å | ||
| 297 | G | 86.4 | Confident | 85.5 | Confident | 69 Ų | 69 | 72.3 Ų | 72.3 | 71% | 0.711 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -65.2 | -5.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 298 | F | 89.6 | Confident | 84 | Confident | 43 Ų | 43 | 70.3 Ų | 70.3 | 19% | 0.189 | 37% | 0.367 | C | S | . | . | trans | -110.2 | 118 | 174.9 | 177.1 | -98.3 | 0 | 0 | 0 | 110.2 | H111 V116 F118 T122 L154 P296 P300 | H111-F298 AromaticContact CE1-CE1 3.79Å; H111-F298 AromaticContact CE1-CZ 3.75Å; H111-F298 AromaticContact ND1-CE1 3.75Å; H111-F298 AromaticContact ND1-CZ 3.41Å; H111-F298 WeakPolarHBondContact ND1-CZ 3.4Å; V116-F298 HydrophobicContact CG1-CD2 4.07Å; V116-F298 HydrophobicContact CG1-CE2 3.65Å; V116-F298 HydrophobicContact CG1-CZ 4.16Å; V116-F298 HydrophobicContact CG2-CE2 4.32Å; V116-F298 HydrophobicContact CG2-CZ 4.42Å; F118-F298 HydrophobicContact CD1-CB 4.16Å; F118-F298 HydrophobicContact CD1-CD1 4.46Å; F118-F298 HydrophobicContact CD1-CG 4.17Å; F118-F298 HydrophobicContact CE1-CB 4.15Å; F118-F298 AromaticContact CE1-CD1 3.63Å; F118-F298 HydrophobicContact CE1-CD1 3.63Å; F118-F298 HydrophobicContact CE1-CD2 4.25Å; F118-F298 HydrophobicContact CE1-CE1 4.03Å; F118-F298 AromaticContact CE1-CG 3.74Å; F118-F298 HydrophobicContact CE1-CG 3.74Å; F118-F298 HydrophobicContact CZ-CD1 4.46Å; F118-F298 HydrophobicContact CZ-CE1 4.44Å; T122-F298 HydrophobicContact CG2-CB 3.77Å; L154-F298 HydrophobicContact CD1-CD1 3.96Å; L154-F298 HydrophobicContact CD1-CE1 3.74Å; P296-F298 PolarHBondContact O-N 3.08Å; F298-P300 HydrophobicContact CE1-CG 4.07Å | ||
| 299 | I | 86.8 | Confident | 82.3 | Confident | 89 Ų | 89 | 73.2 Ų | 73.2 | 46% | 0.456 | 39% | 0.385 | S | S | . | . | trans | -112.6 | 121.8 | 175.7 | -58.8 | 177.6 | 0 | 0 | 0 | 108.1 | I295 | I295-I299 HydrophobicContact CG2-CD1 4.39Š| ||
| 300 | P | 83.9 | Confident | 80.8 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 5% | 0.045 | 40% | 0.404 | C | S | . | . | trans | -59.5 | 150 | 176.1 | -24.3 | 34 | 0 | 0 | 0 | 112.8 | L154 F298 K302 N306 | L154-P300 HydrophobicContact CB-CG 3.88Å; L154-P300 HydrophobicContact CD1-CG 3.8Å; L154-P300 HydrophobicContact CG-CG 4.47Å; F298-P300 HydrophobicContact CE1-CG 4.07Å; P300-K302 PolarHBondContact O-N 3.41Å; P300-N306 WeakPolarHBondContact CB-ND2 3.3Å | ||
| 301 | N | 80.2 | Confident | 79.3 | Confident | 126 Ų | 126 | 74.2 Ų | 74.2 | 67% | 0.674 | 40% | 0.395 | S | S | * | . | trans | -65.8 | 121 | 179.8 | -74.3 | -35.7 | 0 | 0 | 0 | 111.2 | G303 | N301-G303 VanDerWaalsContact C-N 3.25Å; N301-G303 PolarHBondContact O-N 2.93Å | ||
| 302 | K | 66.4 | Low | 77.6 | Confident | 166 Ų | 166 | 72 Ų | 72 | 72% | 0.722 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -8.7 | -174.4 | -64.6 | -171.2 | 175.9 | -171.6 | 0 | 115.5 | P300 | P300-K302 PolarHBondContact O-N 3.41Š|
| 303 | G | 59.7 | Low | 75.7 | Confident | 85 Ų | 85 | 74 Ų | 74 | 88% | 0.876 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -6.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N301 | N301-G303 VanDerWaalsContact C-N 3.25Å; N301-G303 PolarHBondContact O-N 2.93Å |
| 304 | R | 65.8 | Low | 74 | Confident | 166 Ų | 166 | 68.4 Ų | 68.4 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -138 | 137.4 | -178.3 | -163.7 | 177.6 | -176.2 | -179.2 | 0.7 | 108.6 | N306 | R304-N306 PolarHBondContact O-N 3.06Š|
| 305 | L | 67.5 | Low | 72.4 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 18% | 0.183 | 37% | 0.373 | C | S | . | . | trans | -63 | 124 | 167.2 | -77 | 163 | 0 | 0 | 0 | 108 | R27 I29 I39 L104 C307 | R27-L305 HydrophobicContact CG-CD1 4.48Å; I29-L305 HydrophobicContact CG2-CD1 4.18Å; I29-L305 HydrophobicContact CG2-CD2 4.35Å; I39-L305 HydrophobicContact CD1-CD1 4.32Å; I39-L305 HydrophobicContact CD1-CD2 4.04Å; L104-L305 HydrophobicContact CD2-CD2 3.97Å; L305-C307 PolarHBondContact O-N 3.47Å | ||
| 306 | N | 73 | Confident | 70.7 | Confident | 10 Ų | 10 | 70.3 Ų | 70.3 | 5% | 0.053 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -83.1 | 45.1 | 178.2 | -58.8 | -63.1 | 0 | 0 | 0 | 110 | G105 G106 Y110 P300 R304 | G105-N306 WeakPolarHBondContact O-CB 3.44Å; G106-N306 WeakPolarHBondContact CA-O 3.47Å; Y110-N306 HydrophobicContact CD1-CB 3.85Å; Y110-N306 WeakPolarHBondContact CD1-O 3.37Å; Y110-N306 HydrophobicContact CE1-CB 3.73Å; P300-N306 WeakPolarHBondContact CB-ND2 3.3Å; R304-N306 PolarHBondContact O-N 3.06Å |
| 307 | C | 68.2 | Low | 69.1 | Low | 19 Ų | 19 | 76.1 Ų | 76.1 | 13% | 0.128 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -122.5 | 166.7 | 176.1 | 68.2 | 0 | 0 | 0 | 0 | 109.7 | L305 P309 | L305-C307 PolarHBondContact O-N 3.47Å; C307-P309 WeakPolarHBondContact O-CD 3.18Å |
| 308 | D | 67 | Low | 67.6 | Low | 74 Ų | 74 | 79.1 Ų | 79.1 | 40% | 0.396 | 42% | 0.415 | S | S | . | . | trans | -65.4 | 118.8 | 178.3 | -168.9 | -32.7 | 0 | 0 | 0 | 110.4 | T310 F311 | D308-T310 PolarHBondContact O-N 3.11Å; D308-T310 VanDerWaalsContact O-N 3.13Å; D308-T310 VanDerWaalsContact OD1-CB 3.3Å; D308-T310 WeakPolarHBondContact OD1-CB 3.29Å; D308-T310 VanDerWaalsContact OD1-CG2 3.26Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.41Å; D308-T310 PolarHBondContact OD1-N 3.24Å; D308-T310 PolarHBondContact OD1-OG1 3.47Å; D308-T310 PolarHBondContact OD2-OG1 2.95Å; D308-F311 HydrophobicContact CB-CD2 3.86Å; D308-F311 HydrophobicContact CB-CE2 3.61Å; D308-F311 HydrophobicContact CB-CZ 4.32Å; D308-F311 VanDerWaalsContact O-CD2 3.27Å; D308-F311 WeakPolarHBondContact O-CD2 3.21Å; D308-F311 PolarHBondContact O-N 2.98Å | ||
| 309 | P | 63.9 | Low | 66.1 | Low | 70 Ų | 70 | 80 Ų | 80 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.6 | -178.1 | 27.3 | -35 | 0 | 0 | 0 | 113.4 | C307 F311 E312 L313 | C307-P309 WeakPolarHBondContact O-CD 3.18Å; P309-F311 PolarHBondContact O-N 3.3Å; P309-E312 PolarHBondContact O-N 2.7Å; P309-L313 PolarHBondContact O-N 3.1Å |
| 310 | T | 65.3 | Low | 64.5 | Low | 68 Ų | 68 | 81.4 Ų | 81.4 | 42% | 0.417 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.4 | -27.5 | 175.4 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | D308 L313 E314 | D308-T310 PolarHBondContact O-N 3.11Å; D308-T310 VanDerWaalsContact O-N 3.13Å; D308-T310 VanDerWaalsContact OD1-CB 3.3Å; D308-T310 WeakPolarHBondContact OD1-CB 3.29Å; D308-T310 VanDerWaalsContact OD1-CG2 3.26Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.41Å; D308-T310 PolarHBondContact OD1-N 3.24Å; D308-T310 PolarHBondContact OD1-OG1 3.47Å; D308-T310 PolarHBondContact OD2-OG1 2.95Å; T310-L313 PolarHBondContact O-N 2.94Å; T310-E314 WeakPolarHBondContact O-CB 3.47Å; T310-E314 WeakPolarHBondContact O-CG 3.35Å; T310-E314 PolarHBondContact O-N 3.45Å |
| 311 | F | 67.5 | Low | 63.4 | Low | 49 Ų | 49 | 87.1 Ų | 87.1 | 22% | 0.215 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 179.1 | -61.7 | -50 | 0 | 0 | 0 | 113 | I29 K31 D308 P309 L313 E315 | I29-F311 WeakPolarHBondContact O-CD2 3.28Å; K31-F311 HydrophobicContact CB-CD1 3.77Å; K31-F311 HydrophobicContact CB-CE1 3.41Å; K31-F311 VanDerWaalsContact CB-CE1 3.41Å; K31-F311 HydrophobicContact CB-CZ 4.28Å; K31-F311 HydrophobicContact CD-CE1 4.39Å; D308-F311 HydrophobicContact CB-CD2 3.86Å; D308-F311 HydrophobicContact CB-CE2 3.61Å; D308-F311 HydrophobicContact CB-CZ 4.32Å; D308-F311 VanDerWaalsContact O-CD2 3.27Å; D308-F311 WeakPolarHBondContact O-CD2 3.21Å; D308-F311 PolarHBondContact O-N 2.98Å; P309-F311 PolarHBondContact O-N 3.3Å; F311-L313 VanDerWaalsContact C-N 3.32Å; F311-E315 PolarHBondContact O-N 3.36Å |
| 312 | E | 63.1 | Low | 62.5 | Low | 47 Ų | 47 | 82.2 Ų | 82.2 | 22% | 0.22 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 174.1 | -66.5 | -176.3 | -157.9 | 0 | 0 | 110.8 | R27 P309 E315 M316 | R27-E312 WeakPolarHBondContact CD-OE1 3.18Å; R27-E312 HydrophobicContact CG-CG 3.87Å; R27-E312 IonicContact CZ-OE1 3.14Å; R27-E312 IonicContact CZ-OE2 2.81Å; R27-E312 IonicContact NE-OE1 3.76Å; R27-E312 IonicContact NE-OE2 3.1Å; R27-E312 VanDerWaalsContact NH1-CD 3.29Å; R27-E312 IonicContact NH1-OE1 3.4Å; R27-E312 PolarHBondContact NH1-OE1 3.1Å; R27-E312 IonicContact NH1-OE2 2.75Å; R27-E312 PolarHBondContact NH1-OE2 3.49Å; P309-E312 PolarHBondContact O-N 2.7Å; E312-E315 PolarHBondContact O-N 2.81Å; E312-M316 WeakPolarHBondContact O-CG 3.24Å; E312-M316 PolarHBondContact O-N 3.22Å |
| 313 | L | 58 | Low | 62.4 | Low | 103 Ų | 103 | 75.2 Ų | 75.2 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.4 | -39.7 | -177.8 | -148.9 | 76.4 | 0 | 0 | 0 | 112.2 | P309 T310 F311 E315 M316 I317 | P309-L313 PolarHBondContact O-N 3.1Å; T310-L313 PolarHBondContact O-N 2.94Å; F311-L313 VanDerWaalsContact C-N 3.32Å; L313-E315 VanDerWaalsContact C-N 3.3Å; L313-E315 PolarHBondContact O-N 2.69Å; L313-M316 PolarHBondContact O-N 3.36Å; L313-I317 HydrophobicContact CD1-CD1 4.01Å; L313-I317 HydrophobicContact CD2-CD1 4.23Å; L313-I317 HydrophobicContact CG-CD1 3.7Å; L313-I317 HydrophobicContact CG-CG1 4.43Å; L313-I317 WeakPolarHBondContact O-CB 3.41Å; L313-I317 WeakPolarHBondContact O-CG1 3.37Å; L313-I317 PolarHBondContact O-N 2.96Å |
| 314 | E | 61.8 | Low | 62.6 | Low | 58 Ų | 58 | 77.4 Ų | 77.4 | 27% | 0.271 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.2 | -38.9 | 173 | -78.3 | -168.3 | 173.4 | 0 | 0 | 111.8 | K31 T310 L318 | K31-E314 VanDerWaalsContact NZ-CD 3.34Å; K31-E314 IonicContact NZ-OE1 2.75Å; K31-E314 PolarHBondContact NZ-OE1 2.86Å; K31-E314 VanDerWaalsContact NZ-OE1 3.1Å; K31-E314 IonicContact NZ-OE2 3.95Å; K31-E314 PolarHBondContact NZ-OE2 3.3Å; T310-E314 WeakPolarHBondContact O-CB 3.47Å; T310-E314 WeakPolarHBondContact O-CG 3.35Å; T310-E314 PolarHBondContact O-N 3.45Å; E314-L318 HydrophobicContact CB-CD1 4.44Å; E314-L318 HydrophobicContact CG-CD1 4.05Å; E314-L318 WeakPolarHBondContact O-CB 3.19Å; E314-L318 PolarHBondContact O-N 3.05Å; E314-L318 VanDerWaalsContact O-N 3.1Å |
| 315 | E | 61.6 | Low | 62.4 | Low | 33 Ų | 33 | 75.6 Ų | 75.6 | 15% | 0.154 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.8 | -45 | 176.6 | -174.5 | 173.7 | -160.4 | 0 | 0 | 112 | A28 F311 E312 L313 | A28-E315 HydrophobicContact CB-CB 4.28Å; A28-E315 WeakPolarHBondContact CB-OE2 3.25Å; A28-E315 PolarHBondContact N-OE2 2.89Å; F311-E315 PolarHBondContact O-N 3.36Å; E312-E315 PolarHBondContact O-N 2.81Å; L313-E315 VanDerWaalsContact C-N 3.3Å; L313-E315 PolarHBondContact O-N 2.69Å |
| 316 | M | 57.3 | Low | 62.5 | Low | 159 Ų | 159 | 74 Ų | 74 | 78% | 0.783 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -70.6 | -33.1 | -176.9 | -70.9 | -177.5 | 67.5 | 0 | 0 | 113.7 | E312 L313 | E312-M316 WeakPolarHBondContact O-CG 3.24Å; E312-M316 PolarHBondContact O-N 3.22Å; L313-M316 PolarHBondContact O-N 3.36Å |
| 317 | I | 58.8 | Low | 62.2 | Low | 123 Ų | 123 | 80 Ų | 80 | 63% | 0.631 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -109.5 | -38.3 | -167.4 | -54.8 | -177.6 | 0 | 0 | 0 | 113.1 | L313 | L313-I317 HydrophobicContact CD1-CD1 4.01Å; L313-I317 HydrophobicContact CD2-CD1 4.23Å; L313-I317 HydrophobicContact CG-CD1 3.7Å; L313-I317 HydrophobicContact CG-CG1 4.43Å; L313-I317 WeakPolarHBondContact O-CB 3.41Å; L313-I317 WeakPolarHBondContact O-CG1 3.37Å; L313-I317 PolarHBondContact O-N 2.96Å |
| 318 | L | 55.3 | Low | 61.9 | Low | 132 Ų | 132 | 87.7 Ų | 87.7 | 69% | 0.691 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -101.6 | -15 | -165.4 | -80.1 | 149.7 | 0 | 0 | 0 | 114.3 | E314 S320 | E314-L318 HydrophobicContact CB-CD1 4.44Å; E314-L318 HydrophobicContact CG-CD1 4.05Å; E314-L318 WeakPolarHBondContact O-CB 3.19Å; E314-L318 PolarHBondContact O-N 3.05Å; E314-L318 VanDerWaalsContact O-N 3.1Å; L318-S320 PolarHBondContact O-N 2.97Å |
| 319 | E | 57.9 | Low | 62.2 | Low | 62 Ų | 62 | 87 Ų | 87 | 29% | 0.29 | 43% | 0.431 | S | S | . | . | trans | -87.8 | 103.5 | -168.2 | -158.1 | 152.4 | -123.6 | 0 | 0 | 112.9 | K36 K321 | K36-E319 WeakPolarHBondContact CE-OE1 3.23Å; K36-E319 IonicContact NZ-OE1 2.93Å; K36-E319 PolarHBondContact NZ-OE1 3.11Å; K36-E319 IonicContact NZ-OE2 3.46Å; K36-E319 PolarHBondContact NZ-OE2 3.31Å; E319-K321 PolarHBondContact O-N 3.36Å; E319-K321 VanDerWaalsContact O-N 3.1Å | ||
| 320 | S | 52.2 | Low | 62.4 | Low | 117 Ų | 117 | 85 Ų | 85 | 82% | 0.818 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -64.2 | -12.7 | 175.5 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | L318 | L318-S320 PolarHBondContact O-N 2.97Š|
| 321 | K | 60.8 | Low | 62.3 | Low | 128 Ų | 128 | 84.2 Ų | 84.2 | 56% | 0.557 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -142.8 | 57 | -165.6 | -97.9 | -171.2 | -173.1 | 179.9 | 0 | 112.1 | E319 R329 | E319-K321 PolarHBondContact O-N 3.36Å; E319-K321 VanDerWaalsContact O-N 3.1Å; K321-R329 VanDerWaalsContact CG-NH1 3.25Å; K321-R329 PolarHBondContact O-NH1 3.02Å |
| 322 | P | 60.8 | Low | 62.1 | Low | 23 Ų | 23 | 88.7 Ų | 88.7 | 15% | 0.149 | 44% | 0.437 | C | S | . | . | trans | -65.9 | 144 | -166.9 | 27.7 | -35.6 | 0 | 0 | 0 | 113.2 | H324 K325 | P322-H324 VanDerWaalsContact C-N 3.34Å; P322-H324 VanDerWaalsContact CB-CE1 3.43Å; P322-H324 WeakPolarHBondContact CB-CE1 3.38Å; P322-H324 PolarHBondContact O-N 2.9Å; P322-K325 HydrophobicContact CG-CB 4.35Å; P322-K325 HydrophobicContact CG-CD 3.98Å; P322-K325 HydrophobicContact CG-CG 4.15Å; P322-K325 PolarHBondContact O-N 3.3Å | ||
| 323 | L | 64.4 | Low | 62.2 | Low | 18 Ų | 18 | 91.1 Ų | 91.1 | 9% | 0.094 | 45% | 0.446 | C | S | . | . | G | 310 helix | trans | -58.2 | -39.4 | -174.3 | -88.9 | 119.9 | 0 | 0 | 0 | 113.4 | F20 Y53 K325 K326 | F20-L323 HydrophobicContact CE2-CD2 4.27Å; F20-L323 HydrophobicContact CZ-CD2 4.25Å; Y53-L323 HydrophobicContact CD1-CD2 4.08Å; Y53-L323 HydrophobicContact CD2-CD1 4.19Å; Y53-L323 HydrophobicContact CD2-CD2 4.26Å; Y53-L323 HydrophobicContact CE1-CD2 3.77Å; Y53-L323 HydrophobicContact CE2-CD1 3.61Å; Y53-L323 HydrophobicContact CE2-CD2 3.97Å; Y53-L323 HydrophobicContact CE2-CG 4.46Å; Y53-L323 HydrophobicContact CG-CD2 4.27Å; L323-K325 PolarHBondContact O-N 3.35Å; L323-K326 WeakPolarHBondContact O-CB 3.29Å; L323-K326 PolarHBondContact O-N 3.4Å |
| 324 | H | 64.6 | Low | 62.3 | Low | 132 Ų | 132 | 92.6 Ų | 92.6 | 61% | 0.611 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -63.8 | -13.6 | 178 | 66.9 | -91.8 | 0 | 0 | 0 | 113.8 | P322 | P322-H324 VanDerWaalsContact C-N 3.34Å; P322-H324 VanDerWaalsContact CB-CE1 3.43Å; P322-H324 WeakPolarHBondContact CB-CE1 3.38Å; P322-H324 PolarHBondContact O-N 2.9Å |
| 325 | K | 62.2 | Low | 62 | Low | 127 Ų | 127 | 97.9 Ų | 97.9 | 55% | 0.552 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -103.5 | 5.6 | 173.7 | -60.2 | -175.1 | -177.5 | 169.6 | 0 | 113 | P322 L323 K327 K328 R329 | P322-K325 HydrophobicContact CG-CB 4.35Å; P322-K325 HydrophobicContact CG-CD 3.98Å; P322-K325 HydrophobicContact CG-CG 4.15Å; P322-K325 PolarHBondContact O-N 3.3Å; L323-K325 PolarHBondContact O-N 3.35Å; K325-K327 PolarHBondContact O-N 3.1Å; K325-K328 PolarHBondContact O-N 3.19Å; K325-R329 PolarHBondContact O-N 2.96Å |
| 326 | K | 69.3 | Low | 61.7 | Low | 2 Ų | 2 | 101.5 Ų | 101.5 | 1% | 0.009 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -59.7 | -45.7 | -172.9 | -169.5 | 176.4 | -176.4 | -171.2 | 0 | 112.7 | D92 D95 L323 K328 R329 L330 | D92-K326 IonicContact OD1-NZ 3.37Å; D92-K326 PolarHBondContact OD1-NZ 3.2Å; D92-K326 VanDerWaalsContact OD2-CE 3.25Å; D92-K326 WeakPolarHBondContact OD2-CE 3.2Å; D92-K326 IonicContact OD2-NZ 2.71Å; D92-K326 PolarHBondContact OD2-NZ 3.46Å; D95-K326 WeakPolarHBondContact OD2-CE 3.27Å; D95-K326 IonicContact OD2-NZ 3.7Å; D95-K326 PolarHBondContact OD2-NZ 3.16Å; L323-K326 WeakPolarHBondContact O-CB 3.29Å; L323-K326 PolarHBondContact O-N 3.4Å; K326-K328 VanDerWaalsContact C-N 3.28Å; K326-K328 PolarHBondContact O-N 3.4Å; K326-R329 WeakPolarHBondContact O-CA 3.38Å; K326-R329 WeakPolarHBondContact O-CB 3.24Å; K326-R329 PolarHBondContact O-N 2.77Å; K326-L330 HydrophobicContact CD-CD1 4.41Å; K326-L330 HydrophobicContact CG-CD1 3.95Å; K326-L330 HydrophobicContact CG-CG 4.15Å; K326-L330 PolarHBondContact O-N 2.6Å |
| 327 | K | 65.6 | Low | 61.6 | Low | 137 Ų | 137 | 99.8 Ų | 99.8 | 60% | 0.596 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -51.8 | -44.7 | 176.1 | -174.9 | 165.1 | -174.3 | 149.3 | 0 | 113.2 | D21 K325 R329 A331 | D21-K327 IonicContact OD1-NZ 3.23Å; D21-K327 IonicContact OD2-NZ 2.81Å; D21-K327 PolarHBondContact OD2-NZ 3.12Å; K325-K327 PolarHBondContact O-N 3.1Å; K327-R329 VanDerWaalsContact C-N 3.29Å; K327-R329 PolarHBondContact O-N 2.95Å; K327-A331 PolarHBondContact O-N 3.18Å |
| 328 | K | 62.7 | Low | 61.3 | Low | 180 Ų | 180 | 105 Ų | 105 | 78% | 0.783 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70 | -26.3 | 179.5 | -145 | 175 | -172.1 | 175.2 | 0 | 112.4 | K325 K326 | K325-K328 PolarHBondContact O-N 3.19Å; K326-K328 VanDerWaalsContact C-N 3.28Å; K326-K328 PolarHBondContact O-N 3.4Å |
| 329 | R | 73.1 | Confident | 61.1 | Low | 60 Ų | 60 | 107.9 Ų | 107.9 | 23% | 0.226 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -79.8 | -46.6 | 177.6 | -177.4 | 175.5 | 72.6 | -144.7 | 8.7 | 112 | E94 K321 K325 K326 K327 A331 K332 K333 | E94-R329 IonicContact OE1-NE 2.81Å; E94-R329 IonicContact OE2-CZ 2.66Å; E94-R329 IonicContact OE2-NE 2.59Å; E94-R329 PolarHBondContact OE2-NE 3.37Å; E94-R329 IonicContact OE2-NH2 3.78Å; E94-R329 PolarHBondContact OE2-NH2 3.33Å; K321-R329 VanDerWaalsContact CG-NH1 3.25Å; K321-R329 PolarHBondContact O-NH1 3.02Å; K325-R329 PolarHBondContact O-N 2.96Å; K326-R329 WeakPolarHBondContact O-CA 3.38Å; K326-R329 WeakPolarHBondContact O-CB 3.24Å; K326-R329 PolarHBondContact O-N 2.77Å; K327-R329 VanDerWaalsContact C-N 3.29Å; K327-R329 PolarHBondContact O-N 2.95Å; R329-A331 PolarHBondContact O-N 3.07Å; R329-K332 WeakPolarHBondContact O-CB 3.41Å; R329-K332 PolarHBondContact O-N 2.63Å; R329-K332 VanDerWaalsContact O-N 3.11Å; R329-K333 PolarHBondContact O-N 3.07Å |
| 330 | L | 68.4 | Low | 60.7 | Low | 26 Ų | 26 | 109.8 Ų | 109.8 | 14% | 0.136 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -59.3 | -48 | 179.2 | -67.8 | 171.9 | 0 | 0 | 0 | 110.8 | E93 E94 K326 K332 K333 E334 | E93-L330 HydrophobicContact CB-CD2 4.36Å; E93-L330 WeakPolarHBondContact OE2-CD1 3.3Å; E94-L330 HydrophobicContact CG-CD2 3.76Å; K326-L330 HydrophobicContact CD-CD1 4.41Å; K326-L330 HydrophobicContact CG-CD1 3.95Å; K326-L330 HydrophobicContact CG-CG 4.15Å; K326-L330 PolarHBondContact O-N 2.6Å; L330-K332 PolarHBondContact O-N 3.02Å; L330-K332 VanDerWaalsContact O-N 3.11Å; L330-K333 PolarHBondContact O-N 2.89Å; L330-E334 PolarHBondContact O-N 3.22Å; L330-E334 VanDerWaalsContact O-N 3.08Å |
| 331 | A | 63.2 | Low | 60.8 | Low | 53 Ų | 53 | 112.6 Ų | 112.6 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -23.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K327 R329 | K327-A331 PolarHBondContact O-N 3.18Å; R329-A331 PolarHBondContact O-N 3.07Å |
| 332 | K | 64.1 | Low | 61.1 | Low | 143 Ų | 143 | 109.2 Ų | 109.2 | 62% | 0.622 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -81.6 | -38.3 | 173.6 | -171.2 | 178.1 | 177.9 | -177.8 | 0 | 111.2 | R329 L330 K335 D336 | R329-K332 WeakPolarHBondContact O-CB 3.41Å; R329-K332 PolarHBondContact O-N 2.63Å; R329-K332 VanDerWaalsContact O-N 3.11Å; L330-K332 PolarHBondContact O-N 3.02Å; L330-K332 VanDerWaalsContact O-N 3.11Å; K332-K335 PolarHBondContact O-N 3.06Å; K332-D336 PolarHBondContact O-N 3.09Å |
| 333 | K | 63.7 | Low | 61.3 | Low | 98 Ų | 98 | 113.2 Ų | 113.2 | 43% | 0.426 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.1 | -37 | -177.2 | -160.7 | -177.9 | -177.9 | -171.6 | 0 | 112.7 | E94 R329 L330 K335 D336 M337 | E94-K333 IonicContact OE1-NZ 3.52Å; E94-K333 PolarHBondContact OE1-NZ 3.28Å; R329-K333 PolarHBondContact O-N 3.07Å; L330-K333 PolarHBondContact O-N 2.89Å; K333-K335 PolarHBondContact O-N 3.44Å; K333-D336 PolarHBondContact O-N 3.06Å; K333-M337 PolarHBondContact O-N 3.01Å |
| 334 | E | 60 | Low | 61.3 | Low | 133 Ų | 133 | 120.2 Ų | 120.2 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60 | -30.5 | 172.9 | -71.9 | -177.9 | 141.2 | 0 | 0 | 112.8 | L330 | L330-E334 PolarHBondContact O-N 3.22Å; L330-E334 VanDerWaalsContact O-N 3.08Å |
| 335 | K | 55.4 | Low | 61.5 | Low | 170 Ų | 170 | 117 Ų | 117 | 74% | 0.739 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -76.4 | -28.4 | 174.8 | -69.2 | -176.3 | 178.5 | -178.2 | 0 | 112.9 | K332 K333 | K332-K335 PolarHBondContact O-N 3.06Å; K333-K335 PolarHBondContact O-N 3.44Å |
| 336 | D | 56.2 | Low | 62 | Low | 109 Ų | 109 | 114.3 Ų | 114.3 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -90.7 | -17.7 | -175.5 | -69.3 | -22.9 | 0 | 0 | 0 | 113.3 | K332 K333 R338 | K332-D336 PolarHBondContact O-N 3.09Å; K333-D336 PolarHBondContact O-N 3.06Å; D336-R338 PolarHBondContact O-N 3.29Å |
| 337 | M | 55 | Low | 62.4 | Low | 122 Ų | 122 | 118.7 Ų | 118.7 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 13.8 | -175.1 | -97.6 | -157.7 | 74.7 | 0 | 0 | 116.7 | K333 | K333-M337 PolarHBondContact O-N 3.01Š|
| 338 | R | 52.7 | Low | 63.1 | Low | 232 Ų | 232 | 114.5 Ų | 114.5 | 88% | 0.875 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 11.1 | 176.2 | -63.2 | -169.7 | -163.8 | -168.8 | 3.2 | 114.8 | D336 | D336-R338 PolarHBondContact O-N 3.29Š|
| 339 | K | 51.8 | Low | 64 | Low | 194 Ų | 194 | 109.3 Ų | 109.3 | 84% | 0.843 | 55% | 0.551 | S | S | * | * | trans | -148.8 | 85.7 | -179.1 | -74.2 | -173.9 | 176.6 | 178.4 | 0 | 112.6 | ||||
| 340 | C | 47.9 | Very low | 64.6 | Low | 101 Ų | 101 | 112 Ų | 112 | 68% | 0.682 | 57% | 0.566 | S | S | * | * | trans | -161.1 | 105.1 | 152.8 | -150.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 341 | D | 56.1 | Low | 65.6 | Low | 177 Ų | 177 | 115 Ų | 115 | 95% | 0.947 | 58% | 0.579 | S | S | * | * | trans | -105.2 | 96.6 | 174.3 | -85.5 | -36.9 | 0 | 0 | 0 | 109.1 | ||||
| 342 | S | 65.3 | Low | 66.7 | Low | 56 Ų | 56 | 113.7 Ų | 113.7 | 39% | 0.392 | 56% | 0.564 | S | S | . | * | trans | -142.4 | 144.2 | 159 | 76.8 | 0 | 0 | 0 | 0 | 110.4 | Q344 T345 C346 | S342-Q344 PolarHBondContact O-N 2.91Å; S342-T345 PolarHBondContact N-OG1 3.36Å; S342-T345 PolarHBondContact O-N 2.76Å; S342-T345 VanDerWaalsContact O-N 3.1Å; S342-T345 PolarHBondContact O-OG1 3.42Å; S342-T345 WeakPolarHBondContact OG-CG2 3.23Å; S342-T345 PolarHBondContact OG-N 3.35Å; S342-T345 PolarHBondContact OG-OG1 3Å; S342-C346 PolarHBondContact O-N 2.5Å; S342-C346 VanDerWaalsContact O-N 3.11Å | ||
| 343 | S | 64.9 | Low | 67.9 | Low | 108 Ų | 108 | 111.1 Ų | 111.1 | 76% | 0.755 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.1 | -32.3 | -175.2 | 51 | 0 | 0 | 0 | 0 | 113.6 | L347 | S343-L347 PolarHBondContact O-N 2.75Å |
| 344 | Q | 64.6 | Low | 69.2 | Low | 165 Ų | 165 | 108.6 Ų | 108.6 | 77% | 0.771 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.7 | -35.6 | 175.6 | -72.8 | -175.6 | -12.5 | 0 | 0 | 113.2 | S342 C346 F348 | S342-Q344 PolarHBondContact O-N 2.91Å; Q344-C346 VanDerWaalsContact C-N 3.33Å; Q344-F348 WeakPolarHBondContact O-CB 3.27Å; Q344-F348 PolarHBondContact O-N 3.41Å; Q344-F348 VanDerWaalsContact O-N 3.14Å |
| 345 | T | 69.8 | Low | 70.6 | Confident | 63 Ų | 63 | 102.5 Ų | 102.5 | 39% | 0.387 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71 | -32.2 | 175.9 | 45.5 | 0 | 0 | 0 | 0 | 111.5 | S342 F348 Q349 | S342-T345 PolarHBondContact N-OG1 3.36Å; S342-T345 PolarHBondContact O-N 2.76Å; S342-T345 VanDerWaalsContact O-N 3.1Å; S342-T345 PolarHBondContact O-OG1 3.42Å; S342-T345 WeakPolarHBondContact OG-CG2 3.23Å; S342-T345 PolarHBondContact OG-N 3.35Å; S342-T345 PolarHBondContact OG-OG1 3Å; T345-F348 PolarHBondContact O-N 3.06Å; T345-Q349 WeakPolarHBondContact O-CB 3.42Å; T345-Q349 PolarHBondContact O-N 3.47Å |
| 346 | C | 72.1 | Confident | 72.2 | Confident | 71 Ų | 71 | 98.6 Ų | 98.6 | 48% | 0.48 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -52.1 | 173.8 | -165 | 0 | 0 | 0 | 0 | 112.2 | S342 Q344 F348 Q349 E350 | S342-C346 PolarHBondContact O-N 2.5Å; S342-C346 VanDerWaalsContact O-N 3.11Å; Q344-C346 VanDerWaalsContact C-N 3.33Å; C346-F348 VanDerWaalsContact C-N 3.27Å; C346-F348 PolarHBondContact O-N 2.78Å; C346-Q349 WeakPolarHBondContact O-CB 3.41Å; C346-Q349 PolarHBondContact O-N 3.05Å; C346-Q349 VanDerWaalsContact O-N 3.11Å; C346-E350 WeakPolarHBondContact O-CG 3.35Å; C346-E350 PolarHBondContact O-N 2.92Å |
| 347 | L | 79.1 | Confident | 73.9 | Confident | 94 Ų | 94 | 102.3 Ų | 102.3 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 177.5 | -176.4 | 69.2 | 0 | 0 | 0 | 112 | S343 E350 H351 | S343-L347 PolarHBondContact O-N 2.75Å; L347-E350 PolarHBondContact O-N 3.2Å; L347-H351 PolarHBondContact O-CD2 3.4Å; L347-H351 PolarHBondContact O-N 3.42Å; L347-H351 VanDerWaalsContact O-N 3.15Å |
| 348 | F | 78.9 | Confident | 75.7 | Confident | 49 Ų | 49 | 102 Ų | 102 | 22% | 0.215 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 176.8 | -164.3 | -100.7 | 0 | 0 | 0 | 112.2 | Q57 V60 E61 Q344 T345 C346 H351 L352 | Q57-F348 HydrophobicContact CB-CE1 3.9Å; Q57-F348 HydrophobicContact CB-CZ 3.84Å; Q57-F348 HydrophobicContact CG-CE1 3.79Å; Q57-F348 HydrophobicContact CG-CZ 3.58Å; V60-F348 HydrophobicContact CB-CE2 4Å; V60-F348 HydrophobicContact CB-CZ 4.17Å; V60-F348 HydrophobicContact CG1-CD2 4.14Å; V60-F348 HydrophobicContact CG1-CE2 3.58Å; V60-F348 HydrophobicContact CG1-CZ 4.2Å; E61-F348 HydrophobicContact CG-CE2 3.86Å; E61-F348 HydrophobicContact CG-CZ 4.1Å; Q344-F348 WeakPolarHBondContact O-CB 3.27Å; Q344-F348 PolarHBondContact O-N 3.41Å; Q344-F348 VanDerWaalsContact O-N 3.14Å; T345-F348 PolarHBondContact O-N 3.06Å; C346-F348 VanDerWaalsContact C-N 3.27Å; C346-F348 PolarHBondContact O-N 2.78Å; F348-H351 PolarHBondContact O-N 2.85Å; F348-L352 HydrophobicContact CD1-CD1 3.93Å; F348-L352 HydrophobicContact CD1-CG 4.26Å; F348-L352 HydrophobicContact CE1-CD1 3.78Å; F348-L352 HydrophobicContact CE1-CD2 4.3Å; F348-L352 HydrophobicContact CE1-CG 4.05Å; F348-L352 WeakPolarHBondContact O-CG 3.25Å; F348-L352 PolarHBondContact O-N 3.13Å; F348-L352 VanDerWaalsContact O-N 3.09Å |
| 349 | Q | 81.8 | Confident | 77.7 | Confident | 72 Ų | 72 | 91.7 Ų | 91.7 | 34% | 0.336 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 175.4 | -170.1 | 61 | 52 | 0 | 0 | 111.5 | T345 C346 H351 L352 D353 | T345-Q349 WeakPolarHBondContact O-CB 3.42Å; T345-Q349 PolarHBondContact O-N 3.47Å; C346-Q349 WeakPolarHBondContact O-CB 3.41Å; C346-Q349 PolarHBondContact O-N 3.05Å; C346-Q349 VanDerWaalsContact O-N 3.11Å; Q349-H351 VanDerWaalsContact C-N 3.28Å; Q349-H351 PolarHBondContact O-N 3.01Å; Q349-L352 PolarHBondContact O-N 3.39Å; Q349-L352 VanDerWaalsContact O-N 3.11Å; Q349-D353 PolarHBondContact NE2-OD1 3.31Å; Q349-D353 WeakPolarHBondContact O-CB 3.49Å; Q349-D353 PolarHBondContact O-N 3.4Å |
| 350 | E | 86.4 | Confident | 79.7 | Confident | 115 Ų | 115 | 88.2 Ų | 88.2 | 54% | 0.537 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58 | -40.6 | 174.1 | -71.3 | 176.6 | 178 | 0 | 0 | 112.1 | C346 L347 D353 S354 | C346-E350 WeakPolarHBondContact O-CG 3.35Å; C346-E350 PolarHBondContact O-N 2.92Å; L347-E350 PolarHBondContact O-N 3.2Å; E350-D353 PolarHBondContact O-N 2.82Å; E350-S354 WeakPolarHBondContact O-CB 3.45Å; E350-S354 PolarHBondContact O-N 3.22Å |
| 351 | H | 88.5 | Confident | 81.9 | Confident | 91 Ų | 91 | 87.2 Ų | 87.2 | 42% | 0.421 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 174.1 | -73.3 | -53.8 | 0 | 0 | 0 | 112.2 | V60 L347 F348 Q349 D353 S354 V355 | V60-H351 HydrophobicContact CG1-CB 3.8Å; V60-H351 HydrophobicContact CG2-CB 4.39Å; L347-H351 PolarHBondContact O-CD2 3.4Å; L347-H351 PolarHBondContact O-N 3.42Å; L347-H351 VanDerWaalsContact O-N 3.15Å; F348-H351 PolarHBondContact O-N 2.85Å; Q349-H351 VanDerWaalsContact C-N 3.28Å; Q349-H351 PolarHBondContact O-N 3.01Å; H351-D353 VanDerWaalsContact C-N 3.31Å; H351-D353 PolarHBondContact O-N 3.37Å; H351-S354 WeakPolarHBondContact O-CB 3.38Å; H351-S354 PolarHBondContact O-N 3.43Å; H351-V355 WeakPolarHBondContact O-CG2 3.25Å; H351-V355 PolarHBondContact O-N 2.84Å |
| 352 | L | 87.3 | Confident | 83.9 | Confident | 24 Ų | 24 | 80 Ų | 80 | 13% | 0.126 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 176.6 | -68.6 | 177.1 | 0 | 0 | 0 | 112.2 | K56 V60 F348 Q349 V355 Q356 | K56-L352 HydrophobicContact CB-CD2 3.65Å; V60-L352 HydrophobicContact CG2-CD2 4.16Å; F348-L352 HydrophobicContact CD1-CD1 3.93Å; F348-L352 HydrophobicContact CD1-CG 4.26Å; F348-L352 HydrophobicContact CE1-CD1 3.78Å; F348-L352 HydrophobicContact CE1-CD2 4.3Å; F348-L352 HydrophobicContact CE1-CG 4.05Å; F348-L352 WeakPolarHBondContact O-CG 3.25Å; F348-L352 PolarHBondContact O-N 3.13Å; F348-L352 VanDerWaalsContact O-N 3.09Å; Q349-L352 PolarHBondContact O-N 3.39Å; Q349-L352 VanDerWaalsContact O-N 3.11Å; L352-V355 WeakPolarHBondContact O-CB 3.27Å; L352-V355 PolarHBondContact O-N 3.42Å; L352-Q356 PolarHBondContact O-N 2.84Å |
| 353 | D | 88.3 | Confident | 85.3 | Confident | 90 Ų | 90 | 78.5 Ų | 78.5 | 48% | 0.481 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.9 | -37 | 177.1 | -66.3 | -9.9 | 0 | 0 | 0 | 111.3 | Q349 E350 H351 Q356 K357 | Q349-D353 PolarHBondContact NE2-OD1 3.31Å; Q349-D353 WeakPolarHBondContact O-CB 3.49Å; Q349-D353 PolarHBondContact O-N 3.4Å; E350-D353 PolarHBondContact O-N 2.82Å; H351-D353 VanDerWaalsContact C-N 3.31Å; H351-D353 PolarHBondContact O-N 3.37Å; D353-Q356 WeakPolarHBondContact O-CB 3.32Å; D353-Q356 PolarHBondContact O-N 2.91Å; D353-K357 WeakPolarHBondContact O-CB 3.49Å; D353-K357 PolarHBondContact O-N 2.72Å |
| 354 | S | 90.3 | Very high | 86.8 | Confident | 44 Ų | 44 | 74 Ų | 74 | 31% | 0.308 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 169.8 | 157.7 | 0 | 0 | 0 | 0 | 111.3 | E350 H351 Q356 K357 E358 | E350-S354 WeakPolarHBondContact O-CB 3.45Å; E350-S354 PolarHBondContact O-N 3.22Å; H351-S354 WeakPolarHBondContact O-CB 3.38Å; H351-S354 PolarHBondContact O-N 3.43Å; S354-Q356 VanDerWaalsContact C-N 3.3Å; S354-Q356 PolarHBondContact O-N 3.39Å; S354-K357 PolarHBondContact O-N 3.12Å; S354-E358 WeakPolarHBondContact O-CB 3.37Å; S354-E358 WeakPolarHBondContact O-CG 3.31Å; S354-E358 PolarHBondContact O-N 3.27Å; S354-E358 PolarHBondContact OG-OE1 3.19Å |
| 355 | V | 90.4 | Very high | 88.1 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.03 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.3 | -45.7 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | K56 V60 V65 F69 M96 H351 L352 K357 E358 F359 | K56-V355 HydrophobicContact CD-CG1 4.32Å; K56-V355 HydrophobicContact CG-CG1 4.34Å; V60-V355 HydrophobicContact CG2-CG2 4.09Å; V65-V355 HydrophobicContact CG1-CG1 4.44Å; V65-V355 HydrophobicContact CG1-CG2 3.77Å; V65-V355 HydrophobicContact CG2-CG2 3.95Å; F69-V355 HydrophobicContact CE1-CG1 4.3Å; F69-V355 HydrophobicContact CZ-CG1 4Å; M96-V355 HydrophobicContact CG-CG1 4.47Å; M96-V355 HydrophobicContact SD-CG1 3.77Å; H351-V355 WeakPolarHBondContact O-CG2 3.25Å; H351-V355 PolarHBondContact O-N 2.84Å; L352-V355 WeakPolarHBondContact O-CB 3.27Å; L352-V355 PolarHBondContact O-N 3.42Å; V355-K357 VanDerWaalsContact C-N 3.3Å; V355-K357 PolarHBondContact O-N 3.39Å; V355-E358 PolarHBondContact O-N 2.81Å; V355-F359 WeakPolarHBondContact O-CB 3.33Å; V355-F359 PolarHBondContact O-N 3.31Å; V355-F359 VanDerWaalsContact O-N 3.08Å |
| 356 | Q | 89.8 | Confident | 89.1 | Confident | 88 Ų | 88 | 69.6 Ų | 69.6 | 41% | 0.411 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 179 | -175.6 | 67.1 | 22.4 | 0 | 0 | 111.9 | Q91 L352 D353 S354 | Q91-Q356 VanDerWaalsContact NE2-CD 3.32Å; Q91-Q356 PolarHBondContact NE2-O 3.41Å; L352-Q356 PolarHBondContact O-N 2.84Å; D353-Q356 WeakPolarHBondContact O-CB 3.32Å; D353-Q356 PolarHBondContact O-N 2.91Å; S354-Q356 VanDerWaalsContact C-N 3.3Å; S354-Q356 PolarHBondContact O-N 3.39Å |
| 357 | K | 91.3 | Very high | 90 | Very high | 187 Ų | 187 | 70.1 Ų | 70.1 | 81% | 0.813 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -75.5 | -36.1 | -177.5 | -175.1 | 176.9 | 179.7 | -177.9 | 0 | 113.4 | D353 S354 V355 | D353-K357 WeakPolarHBondContact O-CB 3.49Å; D353-K357 PolarHBondContact O-N 2.72Å; S354-K357 PolarHBondContact O-N 3.12Å; V355-K357 VanDerWaalsContact C-N 3.3Å; V355-K357 PolarHBondContact O-N 3.39Å |
| 358 | E | 93.6 | Very high | 90.6 | Very high | 116 Ų | 116 | 69.3 Ų | 69.3 | 54% | 0.542 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -85.1 | -20.7 | -174.7 | -70.4 | 175.2 | -153.4 | 0 | 0 | 113.5 | F69 S354 V355 I360 | F69-E358 HydrophobicContact CE2-CB 3.69Å; F69-E358 HydrophobicContact CZ-CB 4.29Å; S354-E358 WeakPolarHBondContact O-CB 3.37Å; S354-E358 WeakPolarHBondContact O-CG 3.31Å; S354-E358 PolarHBondContact O-N 3.27Å; S354-E358 PolarHBondContact OG-OE1 3.19Å; V355-E358 PolarHBondContact O-N 2.81Å; E358-I360 PolarHBondContact O-N 3.15Å |
| 359 | F | 94.2 | Very high | 91.1 | Very high | 16 Ų | 16 | 71.2 Ų | 71.2 | 7% | 0.07 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 129.2 | 179.6 | -172.1 | -79.2 | 0 | 0 | 0 | 111.6 | F69 L72 F90 Q91 M96 V355 | F69-F359 HydrophobicContact CE1-CB 4.38Å; F69-F359 AromaticContact CE1-CD2 3.8Å; F69-F359 HydrophobicContact CE1-CD2 3.8Å; F69-F359 HydrophobicContact CZ-CB 4.22Å; F69-F359 HydrophobicContact CZ-CD2 4.45Å; L72-F359 HydrophobicContact CD1-CD2 4.36Å; L72-F359 HydrophobicContact CD1-CE2 3.55Å; L72-F359 HydrophobicContact CD1-CZ 3.95Å; F90-F359 VanDerWaalsContact O-CZ 3.31Å; F90-F359 WeakPolarHBondContact O-CZ 3.37Å; Q91-F359 HydrophobicContact CB-CD1 4.31Å; Q91-F359 HydrophobicContact CB-CD2 4.41Å; Q91-F359 HydrophobicContact CB-CE1 4.41Å; Q91-F359 HydrophobicContact CB-CE2 4.5Å; Q91-F359 HydrophobicContact CB-CG 4.33Å; Q91-F359 HydrophobicContact CB-CZ 4.49Å; Q91-F359 VanDerWaalsContact CD-CB 3.45Å; Q91-F359 HydrophobicContact CG-CB 4.41Å; Q91-F359 HydrophobicContact CG-CD1 3.93Å; Q91-F359 HydrophobicContact CG-CE1 4.41Å; Q91-F359 HydrophobicContact CG-CG 4.07Å; Q91-F359 VanDerWaalsContact NE2-CB 3.29Å; M96-F359 HydrophobicContact CB-CD2 4.43Å; M96-F359 HydrophobicContact CB-CE2 3.86Å; M96-F359 HydrophobicContact CG-CD2 3.87Å; M96-F359 HydrophobicContact CG-CE2 3.81Å; M96-F359 HydrophobicContact SD-CD2 3.89Å; M96-F359 HydrophobicContact SD-CE2 4.09Å; V355-F359 WeakPolarHBondContact O-CB 3.33Å; V355-F359 PolarHBondContact O-N 3.31Å; V355-F359 VanDerWaalsContact O-N 3.08Å |
| 360 | I | 93.4 | Very high | 91.3 | Very high | 120 Ų | 120 | 70.6 Ų | 70.6 | 62% | 0.615 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -100.8 | 120.5 | 178.7 | -59.6 | 173.3 | 0 | 0 | 0 | 109.2 | S89 E358 | S89-I360 PolarHBondContact OG-O 2.9Å; E358-I360 PolarHBondContact O-N 3.15Å |
| 361 | I | 95.2 | Very high | 91.3 | Very high | 80 Ų | 80 | 71 Ų | 71 | 41% | 0.41 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 134.4 | 172.7 | -63.7 | 176.2 | 0 | 0 | 0 | 109 | D17 S89 | D17-I361 HydrophobicContact CB-CD1 4.39Å; S89-I361 WeakPolarHBondContact O-CA 3.34Å; S89-I361 WeakPolarHBondContact O-CG2 3.34Å |
| 362 | F | 96.3 | Very high | 91.1 | Very high | 26 Ų | 26 | 71.5 Ų | 71.5 | 11% | 0.114 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.1 | 175.3 | 179.3 | -106.7 | 0 | 0 | 0 | 110.8 | Q76 L86 Y88 S89 R364 V367 | Q76-F362 HydrophobicContact CB-CD2 4.14Å; Q76-F362 HydrophobicContact CB-CE2 4.06Å; Q76-F362 HydrophobicContact CB-CZ 4.42Å; Q76-F362 HydrophobicContact CG-CB 4.02Å; Q76-F362 HydrophobicContact CG-CD1 4.13Å; Q76-F362 HydrophobicContact CG-CD2 3.62Å; Q76-F362 HydrophobicContact CG-CE1 4.49Å; Q76-F362 HydrophobicContact CG-CE2 4.03Å; Q76-F362 HydrophobicContact CG-CG 3.67Å; Q76-F362 HydrophobicContact CG-CZ 4.43Å; L86-F362 HydrophobicContact CD2-CD1 3.69Å; L86-F362 HydrophobicContact CD2-CE1 4.06Å; L86-F362 HydrophobicContact CD2-CG 4.42Å; L86-F362 HydrophobicContact CG-CD1 3.92Å; L86-F362 HydrophobicContact CG-CE1 4.1Å; Y88-F362 CarbonylContact C-O 3.56Å; Y88-F362 VanDerWaalsContact CA-O 3.26Å; Y88-F362 WeakPolarHBondContact CA-O 3.36Å; S89-F362 PolarHBondContact N-O 3.4Å; S89-F362 PolarHBondContact O-N 3.3Å; S89-F362 WeakPolarHBondContact OG-CB 3.4Å; S89-F362 PolarHBondContact OG-N 3.33Å; F362-R364 HydrophobicContact CE1-CB 3.91Å; F362-R364 HydrophobicContact CZ-CB 4.08Å; F362-V367 HydrophobicContact CE2-CG2 4.15Å |
| 363 | N | 96.1 | Very high | 90.8 | Very high | 24 Ų | 24 | 76.8 Ų | 76.8 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 106.1 | 174.8 | -179.9 | -18 | 0 | 0 | 0 | 109.5 | V18 Y88 E365 K366 V367 | V18-N363 WeakPolarHBondContact CG2-ND2 3.45Å; Y88-N363 HydrophobicContact CD1-CB 4.32Å; N363-E365 VanDerWaalsContact C-N 3.31Å; N363-E365 PolarHBondContact O-N 2.91Å; N363-E365 WeakPolarHBondContact OD1-CB 3.39Å; N363-E365 PolarHBondContact OD1-N 3.05Å; N363-K366 HydrophobicContact CB-CB 4.03Å; N363-K366 WeakPolarHBondContact O-CB 3.04Å; N363-K366 PolarHBondContact O-N 3.27Å; N363-K366 PolarHBondContact OD1-N 3.01Å; N363-V367 PolarHBondContact O-N 3.43Å |
| 364 | R | 95.1 | Very high | 90.1 | Very high | 13 Ų | 13 | 81.1 Ų | 81.1 | 5% | 0.049 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.1 | -32.9 | -179.5 | -170.9 | 174.8 | -62.3 | -87.3 | -2.4 | 112.8 | M75 L78 E79 L86 W87 F362 K366 V367 K368 | M75-R364 PolarHBondContact O-NH2 3.21Å; L78-R364 PolarHBondContact O-NH1 3.35Å; L78-R364 PolarHBondContact O-NH2 3.43Å; E79-R364 IonicContact OE2-CZ 3.77Å; E79-R364 IonicContact OE2-NH1 3.42Å; E79-R364 PolarHBondContact OE2-NH1 2.83Å; L86-R364 PolarHBondContact O-NE 3.04Å; L86-R364 PolarHBondContact O-NH2 3.1Å; W87-R364 HydrophobicContact CE3-CB 4.26Å; W87-R364 WeakPolarHBondContact O-CB 3.5Å; W87-R364 PolarHBondContact O-N 3.42Å; F362-R364 HydrophobicContact CE1-CB 3.91Å; F362-R364 HydrophobicContact CZ-CB 4.08Å; R364-K366 VanDerWaalsContact C-N 3.3Å; R364-K366 PolarHBondContact O-N 3.48Å; R364-V367 PolarHBondContact O-N 3.34Å; R364-K368 HydrophobicContact CG-CD 4.35Å; R364-K368 HydrophobicContact CG-CG 4.39Å; R364-K368 WeakPolarHBondContact O-CG 3.32Å; R364-K368 PolarHBondContact O-N 2.93Å |
| 365 | E | 92.6 | Very high | 88.8 | Confident | 47 Ų | 47 | 83.9 Ų | 83.9 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 177.1 | -63.7 | -180 | 142.4 | 0 | 0 | 111 | K42 W87 Y88 N363 K368 R369 | K42-E365 IonicContact NZ-OE2 2.65Å; W87-E365 HydrophobicContact CE3-CG 4.3Å; W87-E365 HydrophobicContact CZ3-CG 4.29Å; Y88-E365 HydrophobicContact CE1-CG 4.24Å; Y88-E365 WeakPolarHBondContact CE1-OE2 2.87Å; Y88-E365 PolarHBondContact OH-OE1 2.79Å; Y88-E365 PolarHBondContact OH-OE2 2.84Å; N363-E365 VanDerWaalsContact C-N 3.31Å; N363-E365 PolarHBondContact O-N 2.91Å; N363-E365 WeakPolarHBondContact OD1-CB 3.39Å; N363-E365 PolarHBondContact OD1-N 3.05Å; E365-K368 PolarHBondContact O-N 2.69Å; E365-R369 VanDerWaalsContact O-CB 3.3Å; E365-R369 WeakPolarHBondContact O-CB 3.42Å; E365-R369 PolarHBondContact O-N 3.27Å |
| 366 | K | 91.3 | Very high | 87.1 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 39% | 0.391 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 174.9 | -168.1 | 173.4 | -176.4 | 172 | 0 | 111 | D17 N363 R364 K368 R369 D370 | D17-K366 IonicContact OD1-NZ 3.47Å; N363-K366 HydrophobicContact CB-CB 4.03Å; N363-K366 WeakPolarHBondContact O-CB 3.04Å; N363-K366 PolarHBondContact O-N 3.27Å; N363-K366 PolarHBondContact OD1-N 3.01Å; R364-K366 VanDerWaalsContact C-N 3.3Å; R364-K366 PolarHBondContact O-N 3.48Å; K366-K368 PolarHBondContact O-N 3.46Å; K366-R369 PolarHBondContact O-N 3.47Å; K366-D370 WeakPolarHBondContact O-CB 3.44Å; K366-D370 VanDerWaalsContact O-CG 3.26Å; K366-D370 PolarHBondContact O-N 3.16Å |
| 367 | V | 91 | Very high | 85 | Confident | 81 Ų | 81 | 87.7 Ų | 87.7 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -57.1 | -47.6 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | F362 N363 R364 D370 F371 | F362-V367 HydrophobicContact CE2-CG2 4.15Å; N363-V367 PolarHBondContact O-N 3.43Å; R364-V367 PolarHBondContact O-N 3.34Å; V367-D370 PolarHBondContact O-N 3.46Å; V367-F371 WeakPolarHBondContact O-CB 3.34Å; V367-F371 PolarHBondContact O-N 3.03Å |
| 368 | K | 91.1 | Very high | 83 | Confident | 77 Ų | 77 | 84.3 Ų | 84.3 | 34% | 0.335 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 178.8 | -74.2 | -175.1 | 173 | -174.3 | 0 | 112.3 | E79 R364 E365 K366 F371 N372 | E79-K368 WeakPolarHBondContact OE1-CE 3.31Å; E79-K368 IonicContact OE1-NZ 3.82Å; E79-K368 PolarHBondContact OE1-NZ 3.12Å; E79-K368 IonicContact OE2-NZ 3.64Å; R364-K368 HydrophobicContact CG-CD 4.35Å; R364-K368 HydrophobicContact CG-CG 4.39Å; R364-K368 WeakPolarHBondContact O-CG 3.32Å; R364-K368 PolarHBondContact O-N 2.93Å; E365-K368 PolarHBondContact O-N 2.69Å; K366-K368 PolarHBondContact O-N 3.46Å; K368-F371 PolarHBondContact O-N 2.98Å; K368-N372 VanDerWaalsContact O-CG 3.28Å; K368-N372 PolarHBondContact O-N 3.3Å |
| 369 | R | 88.7 | Confident | 80.6 | Confident | 90 Ų | 90 | 83.5 Ų | 83.5 | 34% | 0.34 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 177.2 | -169.7 | -171.9 | -61 | 132.1 | -4.5 | 111.4 | E365 K366 N372 K373 | E365-R369 VanDerWaalsContact O-CB 3.3Å; E365-R369 WeakPolarHBondContact O-CB 3.42Å; E365-R369 PolarHBondContact O-N 3.27Å; K366-R369 PolarHBondContact O-N 3.47Å; R369-N372 PolarHBondContact O-N 3.13Å; R369-K373 WeakPolarHBondContact O-CG 3.4Å; R369-K373 PolarHBondContact O-N 3.23Å |
| 370 | D | 87.8 | Confident | 78.1 | Confident | 59 Ų | 59 | 88.1 Ų | 88.1 | 32% | 0.316 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.7 | -36 | -179.5 | -67.7 | -18 | 0 | 0 | 0 | 111.8 | K366 V367 K373 R374 | K366-D370 WeakPolarHBondContact O-CB 3.44Å; K366-D370 VanDerWaalsContact O-CG 3.26Å; K366-D370 PolarHBondContact O-N 3.16Å; V367-D370 PolarHBondContact O-N 3.46Å; D370-K373 PolarHBondContact O-N 2.84Å; D370-R374 WeakPolarHBondContact O-CG 3.47Å; D370-R374 PolarHBondContact O-N 3.43Å |
| 371 | F | 85.4 | Confident | 75.7 | Confident | 124 Ų | 124 | 90.1 Ų | 90.1 | 54% | 0.544 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 171.6 | -176 | -103.3 | 0 | 0 | 0 | 111.7 | V367 K368 K373 R374 Q375 | V367-F371 WeakPolarHBondContact O-CB 3.34Å; V367-F371 PolarHBondContact O-N 3.03Å; K368-F371 PolarHBondContact O-N 2.98Å; F371-K373 VanDerWaalsContact C-N 3.32Å; F371-K373 PolarHBondContact O-N 3.12Å; F371-R374 PolarHBondContact O-N 3.34Å; F371-R374 VanDerWaalsContact O-N 3.12Å; F371-Q375 HydrophobicContact CE1-CG 4.43Å; F371-Q375 PolarHBondContact O-N 3.1Å |
| 372 | N | 83.4 | Confident | 73.1 | Confident | 101 Ų | 101 | 94.6 Ų | 94.6 | 54% | 0.54 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.3 | -34.1 | 178.7 | -70 | -11.1 | 0 | 0 | 0 | 112.7 | K368 R369 R374 P376 | K368-N372 VanDerWaalsContact O-CG 3.28Å; K368-N372 PolarHBondContact O-N 3.3Å; R369-N372 PolarHBondContact O-N 3.13Å; N372-R374 VanDerWaalsContact C-N 3.31Å; N372-R374 PolarHBondContact O-N 3.34Å; N372-P376 WeakPolarHBondContact O-CD 3.23Å |
| 373 | K | 81.5 | Confident | 70.4 | Confident | 135 Ų | 135 | 98.4 Ų | 98.4 | 59% | 0.587 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.1 | -26.8 | 174.5 | -74.7 | 175.6 | 178.9 | 178.4 | 0 | 113.3 | R369 D370 F371 P376 | R369-K373 WeakPolarHBondContact O-CG 3.4Å; R369-K373 PolarHBondContact O-N 3.23Å; D370-K373 PolarHBondContact O-N 2.84Å; F371-K373 VanDerWaalsContact C-N 3.32Å; F371-K373 PolarHBondContact O-N 3.12Å; K373-P376 WeakPolarHBondContact O-CD 3.49Å; K373-P376 WeakPolarHBondContact O-CG 3.46Å |
| 374 | R | 73.6 | Confident | 67.7 | Low | 181 Ų | 181 | 106.2 Ų | 106.2 | 68% | 0.683 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -83 | -27.5 | 179.9 | -71.7 | 174.2 | -174.9 | -172.1 | 2.9 | 113.5 | D370 F371 N372 N377 | D370-R374 WeakPolarHBondContact O-CG 3.47Å; D370-R374 PolarHBondContact O-N 3.43Å; F371-R374 PolarHBondContact O-N 3.34Å; F371-R374 VanDerWaalsContact O-N 3.12Å; N372-R374 VanDerWaalsContact C-N 3.31Å; N372-R374 PolarHBondContact O-N 3.34Å; R374-N377 PolarHBondContact O-N 3.16Å |
| 375 | Q | 62.4 | Low | 64.8 | Low | 102 Ų | 102 | 113 Ų | 113 | 48% | 0.477 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.7 | -39.8 | 178.8 | -71.8 | -164.1 | -4.4 | 0 | 0 | 116 | F371 N377 L378 T379 | F371-Q375 HydrophobicContact CE1-CG 4.43Å; F371-Q375 PolarHBondContact O-N 3.1Å; Q375-N377 PolarHBondContact O-N 3.02Å; Q375-L378 PolarHBondContact O-N 3.37Å; Q375-T379 PolarHBondContact O-OG1 2.85Å |
| 376 | P | 55.2 | Low | 62.4 | Low | 67 Ų | 67 | 116.4 Ų | 116.4 | 44% | 0.435 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.5 | -18.7 | 177.9 | 22.6 | -31.4 | 0 | 0 | 0 | 113.9 | N372 K373 T379 | N372-P376 WeakPolarHBondContact O-CD 3.23Å; K373-P376 WeakPolarHBondContact O-CD 3.49Å; K373-P376 WeakPolarHBondContact O-CG 3.46Å; P376-T379 PolarHBondContact O-OG1 3.02Å |
| 377 | N | 47.1 | Very low | 59.7 | Low | 105 Ų | 105 | 121.1 Ų | 121.1 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -83.8 | -22.9 | 178.1 | -77.7 | -7.2 | 0 | 0 | 0 | 113.7 | R374 Q375 E381 | R374-N377 PolarHBondContact O-N 3.16Å; Q375-N377 PolarHBondContact O-N 3.02Å; N377-E381 PolarHBondContact O-N 3.22Å |
| 378 | L | 47.2 | Very low | 57 | Low | 117 Ų | 117 | 124.6 Ų | 124.6 | 61% | 0.613 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.6 | -23.8 | 177.2 | -81.9 | 151.7 | 0 | 0 | 0 | 113.1 | Q375 | Q375-L378 PolarHBondContact O-N 3.37Å |
| 379 | T | 43.8 | Very low | 54.2 | Low | 98 Ų | 98 | 127.7 Ų | 127.7 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -83.4 | -21.3 | 175 | 29.2 | 0 | 0 | 0 | 0 | 112.9 | Q375 P376 | Q375-T379 PolarHBondContact O-OG1 2.85Å; P376-T379 PolarHBondContact O-OG1 3.02Å |
| 380 | L | 42.9 | Very low | 51.6 | Low | 114 Ų | 114 | 130.7 Ų | 130.7 | 60% | 0.597 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -87.4 | -22.4 | 177.2 | -85.3 | 155.6 | 0 | 0 | 0 | 113.8 | T383 | L380-T383 PolarHBondContact O-OG1 2.98Å |
| 381 | E | 42.4 | Very low | 48.8 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -16.2 | 174.6 | -77.1 | -173.6 | 159.8 | 0 | 0 | 113.7 | N377 | N377-E381 PolarHBondContact O-N 3.22Š|
| 382 | Q | 41 | Very low | 46.2 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 3.7 | 174.6 | -70.1 | -174.7 | -14.8 | 0 | 0 | 114.2 | ||
| 383 | T | 38.1 | Very low | 43.7 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 64% | 0.644 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -114.4 | 9.4 | -179.6 | 44.7 | 0 | 0 | 0 | 0 | 114.7 | L380 D385 | L380-T383 PolarHBondContact O-OG1 2.98Å; T383-D385 PolarHBondContact O-N 3.05Å |
| 384 | K | 39.4 | Very low | 41.3 | Very low | 189 Ų | 189 | 139 Ų | 139 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -99 | 77.2 | 170 | -75.4 | -173.7 | 177.5 | 177.9 | 0 | 111.2 | ||||
| 385 | D | 35.3 | Very low | 39.3 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 137.8 | 156.3 | -101.2 | -29 | 0 | 0 | 0 | 109.9 | T383 Q387 | T383-D385 PolarHBondContact O-N 3.05Å; D385-Q387 PolarHBondContact O-N 3.35Å |
| 386 | P | 41.1 | Very low | 37.8 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 116.9 | 176.9 | 29.4 | -29.2 | 0 | 0 | 0 | 111 | M388 | P386-M388 PolarHBondContact O-N 2.98Š|
| 387 | Q | 35.6 | Very low | 36.7 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 118.4 | 167.6 | -83.7 | -178.4 | -14.8 | 0 | 0 | 111.4 | D385 | D385-Q387 PolarHBondContact O-N 3.35Š|
| 388 | M | 33.4 | Very low | 36 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | 39.8 | 110.3 | 126.8 | -67.1 | -88.5 | -89.6 | 0 | 0 | 118.2 | P386 | P386-M388 PolarHBondContact O-N 2.98Š| |||
| 389 | T | 33.1 | Very low | 35.3 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -122.2 | 112.3 | 146 | 48 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 390 | N | 33.4 | Very low | 34.8 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -68.3 | 143.2 | 167 | -90.6 | -20.9 | 0 | 0 | 0 | 111 | ||||
| 391 | G | 29.5 | Very low | 34.3 | Very low | 80 Ų | 80 | 144.9 Ų | 144.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -167.8 | 112.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 392 | Q | 31.7 | Very low | 34 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 153.4 | -175.9 | -66 | 163.4 | -55 | 0 | 0 | 114.6 | ||||
| 393 | M | 30.3 | Very low | 33.6 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | trans | 156.9 | 105.9 | 131.4 | -87.9 | -171.2 | -81.5 | 0 | 0 | 108.2 | ||||
| 394 | D | 30.4 | Very low | 33.4 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | 87.4 | 135.9 | 73.4 | -155 | 17.7 | 0 | 0 | 0 | 114.4 | |||||
| 395 | T | 32.8 | Very low | 33.4 | Very low | 127 Ų | 127 | 142 Ų | 142 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 83.5 | 125.3 | 165.4 | 73 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 396 | G | 29.5 | Very low | 33.8 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 138.2 | 89.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 397 | L | 32.2 | Very low | 34 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | 20.6 | 135.2 | 130.3 | -64.8 | 154.4 | 0 | 0 | 0 | 117 | ||||
| 398 | S | 32.2 | Very low | 33.9 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | cis | 177.7 | 146.4 | 46.4 | 43.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 399 | E | 33.9 | Very low | 34 | Very low | 175 Ų | 175 | 140.7 Ų | 140.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 39.3 | 143.5 | 132.7 | -61.8 | -172.7 | 149.2 | 0 | 0 | 119.7 | ||||
| 400 | T | 32.2 | Very low | 34 | Very low | 101 Ų | 101 | 140.6 Ų | 140.6 | 62% | 0.62 | 80% | 0.804 | S | S | * | * | cis | 171 | 177.4 | 10.6 | 27.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 401 | F | 33.4 | Very low | 34 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | 84.6 | 104.1 | 162 | -73.1 | -84.8 | 0 | 0 | 0 | 117.1 | ||||
| 402 | Q | 35.2 | Very low | 34.3 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | 99.3 | 106.4 | 72.7 | -102.8 | -167.2 | -8.2 | 0 | 0 | 110.8 | |||||
| 403 | T | 32.9 | Very low | 34.5 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | 65.9 | 116 | 104.8 | 59.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 404 | S | 34.3 | Very low | 34.8 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 166.5 | 108.5 | 123.8 | 51.7 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 405 | K | 38.3 | Very low | 35.1 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | 68.2 | 115.8 | 90.3 | -89.5 | -162 | 173.8 | 177.5 | 0 | 115.5 | |||||
| 406 | V | 44.3 | Very low | 35.3 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | 67.7 | 107.6 | 127.7 | -171.5 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 407 | S | 45.6 | Very low | 35.9 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 100% | 1.315 | 80% | 0.801 | S | S | * | * | -164.8 | 0 | 90.9 | -65 | 0 | 0 | 0 | 0 | 110 |
Retrieved 407 of 407 residues in 2809.4 ms
(Link to these results)