| 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 | 38 | Very low | 32.7 | Very low | 248 Ų | 248 | 138.6 Ų | 138.6 | 100% | 1.222 | 83% | 0.831 | S | S | * | * | 0 | 108.1 | 0 | -75.5 | -165.4 | -106.8 | 0 | 0 | 107.6 | |||||
| 2 | G | 33 | Very low | 32.8 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | trans | -85.1 | 155.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 3 | L | 30.4 | Very low | 33.2 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -154.5 | 88.5 | 147.4 | -94.9 | 169.6 | 0 | 0 | 0 | 106.1 | Q5 | L3-Q5 PolarHBondContact O-N 3.21Š| ||
| 4 | G | 27.1 | Very low | 33.7 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -68.9 | 115.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | S6 | G4-S6 VanDerWaalsContact C-N 3.34Å; G4-S6 PolarHBondContact O-N 3.23Å; G4-S6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | Q | 31.5 | Very low | 35.1 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -74.7 | 93.9 | 164 | -75.7 | -176.8 | -2.3 | 0 | 0 | 107.8 | L3 S7 | L3-Q5 PolarHBondContact O-N 3.21Å; Q5-S7 PolarHBondContact O-N 3.29Å | ||
| 6 | S | 30.4 | Very low | 37 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -68.3 | 97.5 | 165.2 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | G4 K8 | G4-S6 VanDerWaalsContact C-N 3.34Å; G4-S6 PolarHBondContact O-N 3.23Å; G4-S6 VanDerWaalsContact O-N 3.09Å; S6-K8 PolarHBondContact O-N 3.31Å | ||
| 7 | S | 35.7 | Very low | 39.8 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -66.4 | 85.1 | 160.2 | 54 | 0 | 0 | 0 | 0 | 107.7 | Q5 T9 | Q5-S7 PolarHBondContact O-N 3.29Å; S7-T9 PolarHBondContact O-N 3.05Å | ||
| 8 | K | 31.7 | Very low | 42.7 | Very low | 182 Ų | 182 | 125.8 Ų | 125.8 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -66.2 | 102.7 | 165.2 | -74.9 | -171.7 | 175.8 | -173.8 | 0 | 107.1 | S6 | S6-K8 PolarHBondContact O-N 3.31Š| ||
| 9 | T | 30.6 | Very low | 45.4 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | trans | -44.4 | 132.8 | 154.6 | 22.9 | 0 | 0 | 0 | 0 | 108 | S7 V11 | S7-T9 PolarHBondContact O-N 3.05Å; T9-V11 PolarHBondContact O-N 3.31Å; T9-V11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | P | 36.5 | Very low | 47.7 | Very low | 113 Ų | 113 | 117.9 Ų | 117.9 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | -59.6 | 123.1 | 173 | 26.1 | -30.4 | 0 | 0 | 0 | 106.3 | T12 | P10-T12 VanDerWaalsContact C-N 3.28Å; P10-T12 PolarHBondContact O-N 3.46Å | ||
| 11 | V | 34.2 | Very low | 49.7 | Very low | 135 Ų | 135 | 115.5 Ų | 115.5 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -58.5 | 99.9 | 170.3 | 179.4 | 0 | 0 | 0 | 0 | 105.3 | T9 D13 | T9-V11 PolarHBondContact O-N 3.31Å; T9-V11 VanDerWaalsContact O-N 3.09Å; V11-D13 PolarHBondContact O-N 2.89Å; V11-D13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | T | 35 | Very low | 52.4 | Low | 118 Ų | 118 | 106.9 Ų | 106.9 | 72% | 0.724 | 62% | 0.623 | S | S | * | * | trans | -65.3 | 107.3 | 161.5 | 43.8 | 0 | 0 | 0 | 0 | 104.4 | P10 D14 | P10-T12 VanDerWaalsContact C-N 3.28Å; P10-T12 PolarHBondContact O-N 3.46Å; T12-D14 PolarHBondContact O-N 3.46Å | ||
| 13 | D | 38 | Very low | 55.3 | Low | 111 Ų | 111 | 103.6 Ų | 103.6 | 59% | 0.594 | 59% | 0.587 | S | S | * | * | trans | -55.9 | 125.1 | 171.2 | -141.6 | -11.1 | 0 | 0 | 0 | 106.5 | V11 T15 | V11-D13 PolarHBondContact O-N 2.89Å; V11-D13 VanDerWaalsContact O-N 3.15Å; D13-T15 PolarHBondContact O-N 3.25Å | ||
| 14 | D | 40.2 | Very low | 58.3 | Low | 168 Ų | 168 | 99 Ų | 99 | 90% | 0.898 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -70.9 | 24.1 | -173.3 | -115.4 | -18.1 | 0 | 0 | 0 | 112.7 | T12 | T12-D14 PolarHBondContact O-N 3.46Š|
| 15 | T | 53.8 | Low | 61.3 | Low | 75 Ų | 75 | 96.4 Ų | 96.4 | 46% | 0.46 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -114.7 | 115.9 | 169.8 | 55.1 | 0 | 0 | 0 | 0 | 106.9 | D13 E17 | D13-T15 PolarHBondContact O-N 3.25Å; T15-E17 PolarHBondContact O-N 3.03Å |
| 16 | D | 66 | Low | 64 | Low | 144 Ų | 144 | 90.9 Ų | 90.9 | 77% | 0.77 | 51% | 0.505 | S | S | * | . | trans | -60.4 | 12.9 | 174.4 | -83.7 | -38.9 | 0 | 0 | 0 | 113.5 | K368 | D16-K368 VanDerWaalsContact C-NZ 3.28Å; D16-K368 WeakPolarHBondContact O-CE 3.46Å; D16-K368 PolarHBondContact O-NZ 3.27Å | ||
| 17 | E | 84.9 | Confident | 66.6 | Low | 107 Ų | 107 | 91.2 Ų | 91.2 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | trans | -87.7 | 122.7 | -174.4 | -64.8 | -164.5 | 163.1 | 0 | 0 | 111.7 | T15 N19 | T15-E17 PolarHBondContact O-N 3.03Å; E17-N19 PolarHBondContact O-N 3.01Å | ||
| 18 | V | 91.8 | Very high | 68.9 | Low | 16 Ų | 16 | 86 Ų | 86 | 10% | 0.097 | 46% | 0.455 | C | S | . | . | trans | -67.9 | 125.2 | 178 | 172 | 0 | 0 | 0 | 0 | 109 | H22 F23 Y88 F90 N365 | V18-H22 HydrophobicContact CG1-CB 4.42Å; V18-F23 HydrophobicContact CG1-CE2 3.5Å; V18-F23 VanDerWaalsContact CG1-CE2 3.5Å; V18-F23 HydrophobicContact CG1-CZ 3.87Å; V18-Y88 HydrophobicContact CB-CD1 4.23Å; V18-Y88 HydrophobicContact CG1-CD1 3.96Å; V18-Y88 HydrophobicContact CG1-CE1 4.4Å; V18-Y88 HydrophobicContact CG1-CG 4.24Å; V18-Y88 HydrophobicContact CG2-CD1 4.28Å; V18-Y88 HydrophobicContact CG2-CE1 4.24Å; V18-F90 HydrophobicContact CG1-CD1 4.38Å; V18-F90 HydrophobicContact CG1-CE1 4.3Å; V18-F90 WeakPolarHBondContact O-CD1 3.3Å; V18-N365 VanDerWaalsContact CG2-ND2 3.33Å; V18-N365 WeakPolarHBondContact CG2-ND2 3.32Å | ||
| 19 | N | 92.8 | Very high | 71.4 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 22% | 0.219 | 43% | 0.425 | C | S | . | . | trans | -132.1 | -178.3 | 179.5 | 68.4 | 35 | 0 | 0 | 0 | 111.5 | E17 D21 H22 F23 | E17-N19 PolarHBondContact O-N 3.01Å; N19-D21 VanDerWaalsContact C-N 3.25Å; N19-D21 PolarHBondContact O-N 3.18Å; N19-D21 WeakPolarHBondContact OD1-CB 3.32Å; N19-D21 PolarHBondContact OD1-N 3.34Å; N19-H22 PolarHBondContact N-ND1 2.87Å; N19-H22 VanDerWaalsContact N-ND1 3.17Å; N19-H22 WeakPolarHBondContact O-CB 3.47Å; N19-H22 PolarHBondContact O-N 3.15Å; N19-H22 VanDerWaalsContact O-N 3.09Å; N19-H22 PolarHBondContact O-ND1 3.49Å; N19-H22 PolarHBondContact OD1-CE1 3.47Å; N19-H22 PolarHBondContact OD1-ND1 3.19Å; N19-F23 WeakPolarHBondContact O-CD2 3.45Å | ||
| 20 | F | 91.5 | Very high | 73.9 | Confident | 53 Ų | 53 | 73.9 Ų | 73.9 | 23% | 0.232 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -56 | -35.2 | -176.5 | -174.1 | -98.3 | 0 | 0 | 0 | 113.9 | H22 F23 I25 M51 F90 F97 | F20-H22 PolarHBondContact O-N 2.87Å; F20-F23 PolarHBondContact O-N 3.26Å; F20-F23 VanDerWaalsContact O-N 3.1Å; F20-I25 HydrophobicContact CE2-CD1 3.8Å; F20-I25 HydrophobicContact CE2-CG1 4.19Å; F20-I25 HydrophobicContact CZ-CD1 3.93Å; F20-I25 HydrophobicContact CZ-CG1 3.79Å; F20-M51 HydrophobicContact CD2-SD 4.14Å; F20-M51 HydrophobicContact CE2-SD 4.06Å; F20-F90 VanDerWaalsContact CA-CE2 3.43Å; F20-F90 HydrophobicContact CB-CD2 4.38Å; F20-F90 HydrophobicContact CB-CE2 3.78Å; F20-F90 HydrophobicContact CD2-CE2 4.28Å; F20-F90 VanDerWaalsContact N-CE2 3.26Å; F20-F97 AromaticContact CD2-CD1 3.9Å; F20-F97 HydrophobicContact CD2-CD1 3.9Å; F20-F97 AromaticContact CD2-CE1 3.41Å; F20-F97 HydrophobicContact CD2-CE1 3.41Å; F20-F97 VanDerWaalsContact CD2-CE1 3.41Å; F20-F97 HydrophobicContact CD2-CE2 4.35Å; F20-F97 AromaticContact CD2-CZ 3.66Å; F20-F97 HydrophobicContact CD2-CZ 3.66Å; F20-F97 HydrophobicContact CE2-CD1 4.27Å; F20-F97 AromaticContact CE2-CE1 3.6Å; F20-F97 HydrophobicContact CE2-CE1 3.6Å; F20-F97 HydrophobicContact CE2-CZ 4.12Å; F20-F97 HydrophobicContact CG-CE1 4.46Å; F20-F97 HydrophobicContact CG-CZ 4.32Å |
| 21 | D | 91.3 | Very high | 76 | Confident | 68 Ų | 68 | 74.1 Ų | 74.1 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -68.8 | -17.1 | -178 | -67.3 | -52.7 | 0 | 0 | 0 | 113.9 | N19 F23 K43 K329 | N19-D21 VanDerWaalsContact C-N 3.25Å; N19-D21 PolarHBondContact O-N 3.18Å; N19-D21 WeakPolarHBondContact OD1-CB 3.32Å; N19-D21 PolarHBondContact OD1-N 3.34Å; D21-F23 PolarHBondContact O-N 3.05Å; D21-K43 WeakPolarHBondContact O-CD 3.29Å; D21-K43 WeakPolarHBondContact O-CE 3.37Å; D21-K43 PolarHBondContact O-NZ 2.97Å; D21-K329 WeakPolarHBondContact OD1-CE 3.4Å; D21-K329 IonicContact OD1-NZ 3.55Å; D21-K329 PolarHBondContact OD1-NZ 3.09Å; D21-K329 IonicContact OD2-NZ 2.65Å; D21-K329 PolarHBondContact OD2-NZ 3.01Å |
| 22 | H | 93.9 | Very high | 78 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 31% | 0.306 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -74.4 | -8.8 | 175.8 | -64.9 | 82.9 | 0 | 0 | 0 | 112.5 | V18 N19 F20 K43 | V18-H22 HydrophobicContact CG1-CB 4.42Å; N19-H22 PolarHBondContact N-ND1 2.87Å; N19-H22 VanDerWaalsContact N-ND1 3.17Å; N19-H22 WeakPolarHBondContact O-CB 3.47Å; N19-H22 PolarHBondContact O-N 3.15Å; N19-H22 VanDerWaalsContact O-N 3.09Å; N19-H22 PolarHBondContact O-ND1 3.49Å; N19-H22 PolarHBondContact OD1-CE1 3.47Å; N19-H22 PolarHBondContact OD1-ND1 3.19Å; F20-H22 PolarHBondContact O-N 2.87Å; H22-K43 WeakPolarHBondContact O-CG 3.34Å; H22-K43 PolarHBondContact O-N 3.04Å |
| 23 | F | 94.1 | Very high | 79.9 | Confident | 7 Ų | 7 | 68 Ų | 68 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 144 | -178.3 | -62.1 | -89.1 | 0 | 0 | 0 | 111.9 | V18 N19 F20 D21 V40 Q41 K42 Y49 M51 Y88 F90 V99 | V18-F23 HydrophobicContact CG1-CE2 3.5Å; V18-F23 VanDerWaalsContact CG1-CE2 3.5Å; V18-F23 HydrophobicContact CG1-CZ 3.87Å; N19-F23 WeakPolarHBondContact O-CD2 3.45Å; F20-F23 PolarHBondContact O-N 3.26Å; F20-F23 VanDerWaalsContact O-N 3.1Å; D21-F23 PolarHBondContact O-N 3.05Å; F23-V40 HydrophobicContact CB-CB 4.3Å; F23-V40 HydrophobicContact CD1-CB 4.28Å; F23-V40 HydrophobicContact CD1-CG2 3.75Å; F23-V40 HydrophobicContact CE1-CG2 4.38Å; F23-V40 HydrophobicContact CG-CG2 4.44Å; F23-Q41 CarbonylContact C-O 3.56Å; F23-Q41 WeakPolarHBondContact CA-O 3.4Å; F23-K42 HydrophobicContact CD1-CB 4.04Å; F23-K42 HydrophobicContact CD1-CG 4.26Å; F23-K42 HydrophobicContact CE1-CB 3.82Å; F23-K42 HydrophobicContact CE1-CD 4.44Å; F23-K42 HydrophobicContact CE1-CG 3.84Å; F23-K42 HydrophobicContact CZ-CG 4.17Å; F23-Y49 HydrophobicContact CE1-CD2 4.18Å; F23-M51 HydrophobicContact CB-CE 3.75Å; F23-M51 HydrophobicContact CD1-CE 4.1Å; F23-M51 HydrophobicContact CD2-CE 3.71Å; F23-M51 HydrophobicContact CE2-CE 4.35Å; F23-M51 HydrophobicContact CG-CE 3.57Å; F23-Y88 HydrophobicContact CE1-CD2 4.4Å; F23-Y88 HydrophobicContact CE1-CE2 4.37Å; F23-Y88 AromaticContact CZ-CD2 3.79Å; F23-Y88 HydrophobicContact CZ-CD2 3.79Å; F23-Y88 HydrophobicContact CZ-CE2 4.01Å; F23-Y88 HydrophobicContact CZ-CG 4.32Å; F23-F90 HydrophobicContact CD2-CE1 4.1Å; F23-F90 AromaticContact CD2-CZ 3.84Å; F23-F90 HydrophobicContact CD2-CZ 3.84Å; F23-F90 AromaticContact CE2-CE1 3.53Å; F23-F90 HydrophobicContact CE2-CE1 3.53Å; F23-F90 AromaticContact CE2-CZ 3.77Å; F23-F90 HydrophobicContact CE2-CZ 3.77Å; F23-F90 HydrophobicContact CZ-CE1 4.33Å; F23-V99 HydrophobicContact CE1-CG1 4.1Å; F23-V99 HydrophobicContact CE1-CG2 4.48Å; F23-V99 HydrophobicContact CE2-CG2 4.46Å; F23-V99 HydrophobicContact CZ-CG1 4.34Å; F23-V99 HydrophobicContact CZ-CG2 4.18Å |
| 24 | Q | 92.6 | Very high | 81.9 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.1 | 165.2 | 179.5 | 176.6 | 2 | 0 | 0 | 108 | L26 V40 Q41 | Q24-L26 HydrophobicContact CG-CD2 4.05Å; Q24-V40 CarbonylContact O-C 3.57Å; Q24-V40 VanDerWaalsContact O-CA 3.28Å; Q24-V40 WeakPolarHBondContact O-CA 3.48Å; Q24-Q41 HydrophobicContact CB-CB 4.49Å; Q24-Q41 PolarHBondContact N-O 3.39Å; Q24-Q41 PolarHBondContact O-N 3.3Å |
| 25 | I | 90.9 | Very high | 84 | Confident | 25 Ų | 25 | 57 Ų | 57 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 134 | 173 | -49 | -55.4 | 0 | 0 | 0 | 108.9 | F20 C38 V40 M51 | F20-I25 HydrophobicContact CE2-CD1 3.8Å; F20-I25 HydrophobicContact CE2-CG1 4.19Å; F20-I25 HydrophobicContact CZ-CD1 3.93Å; F20-I25 HydrophobicContact CZ-CG1 3.79Å; I25-C38 HydrophobicContact CG2-CB 3.95Å; I25-V40 HydrophobicContact CD1-CB 4.33Å; I25-V40 HydrophobicContact CD1-CG1 3.34Å; I25-M51 HydrophobicContact CD1-CE 4.42Å; I25-M51 HydrophobicContact CD1-SD 3.98Å |
| 26 | L | 88 | Confident | 85.5 | Confident | 76 Ų | 76 | 55.4 Ų | 55.4 | 40% | 0.398 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -65.2 | -177.6 | -62.9 | 175.5 | 0 | 0 | 0 | 112.1 | Q24 I39 Q41 M48 | Q24-L26 HydrophobicContact CG-CD2 4.05Å; L26-I39 HydrophobicContact CB-CB 4.44Å; L26-I39 HydrophobicContact CB-CG2 4.27Å; L26-I39 HydrophobicContact CD1-CG2 4.05Å; L26-I39 PolarHBondContact N-O 3.31Å; L26-Q41 HydrophobicContact CD1-CB 4.12Å; L26-M48 HydrophobicContact CD1-CE 3.45Å; L26-M48 VanDerWaalsContact CD1-CE 3.45Å; L26-M48 HydrophobicContact CD1-SD 3.64Å |
| 27 | R | 84.3 | Confident | 86.7 | Confident | 104 Ų | 104 | 50.4 Ų | 50.4 | 39% | 0.392 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 137.6 | -169.4 | -178.7 | -177 | -73 | -151.9 | 3.1 | 111.7 | C38 I39 L307 E314 | R27-C38 CarbonylContact O-C 3.57Å; R27-C38 VanDerWaalsContact O-CA 3.23Å; R27-C38 WeakPolarHBondContact O-CA 3.46Å; R27-I39 PolarHBondContact O-N 2.91Å; R27-L307 VanDerWaalsContact CD-CD1 3.4Å; R27-E314 VanDerWaalsContact CD-OE1 3.26Å; R27-E314 WeakPolarHBondContact CD-OE1 3.22Å; R27-E314 HydrophobicContact CG-CG 4.13Å; R27-E314 IonicContact CZ-OE1 3.58Å; R27-E314 IonicContact CZ-OE2 2.66Å; R27-E314 IonicContact NE-OE1 3.75Å; R27-E314 VanDerWaalsContact NH1-CD 3.26Å; R27-E314 IonicContact NH1-OE1 2.64Å; R27-E314 PolarHBondContact NH1-OE1 3.02Å; R27-E314 IonicContact NH1-OE2 3.77Å; R27-E314 PolarHBondContact NH1-OE2 2.93Å |
| 28 | A | 85.2 | Confident | 87 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 134.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E317 | A28-E317 HydrophobicContact CB-CB 4.48Å; A28-E317 WeakPolarHBondContact CB-OE2 3.27Å; A28-E317 PolarHBondContact N-OE2 3.09Å |
| 29 | I | 83.8 | Confident | 87 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 16% | 0.164 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | -6.9 | -177.8 | 57.1 | 168.9 | 0 | 0 | 0 | 113.5 | V37 I39 A50 L102 L307 F313 | I29-V37 HydrophobicContact CD1-CG1 4.04Å; I29-V37 HydrophobicContact CG1-CB 4.26Å; I29-V37 HydrophobicContact CG1-CG1 3.91Å; I29-V37 WeakPolarHBondContact CG1-O 3.38Å; I29-V37 PolarHBondContact N-O 3.14Å; I29-I39 HydrophobicContact CD1-CG1 3.97Å; I29-I39 HydrophobicContact CG1-CG1 4.39Å; I29-I39 HydrophobicContact CG2-CD1 3.58Å; I29-I39 HydrophobicContact CG2-CG1 3.56Å; I29-A50 HydrophobicContact CD1-CB 4.29Å; I29-L102 HydrophobicContact CD1-CD1 4.1Å; I29-L307 HydrophobicContact CB-CD2 4.45Å; I29-L307 HydrophobicContact CG2-CD2 3.54Å; I29-F313 WeakPolarHBondContact O-CD2 3.35Å |
| 30 | G | 82.9 | Confident | 87.1 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 162.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | K36 V37 | G30-K36 WeakPolarHBondContact O-CA 3.41Å; G30-K36 WeakPolarHBondContact O-CB 3.44Å; G30-V37 PolarHBondContact N-O 2.66Å; G30-V37 PolarHBondContact O-N 2.85Å |
| 31 | K | 81.9 | Confident | 87.3 | Confident | 117 Ų | 117 | 42.8 Ų | 42.8 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.9 | 178.5 | -171.9 | 175.3 | -175.8 | 168.1 | 0 | 109.1 | F313 E316 | K31-F313 HydrophobicContact CB-CD1 3.92Å; K31-F313 HydrophobicContact CB-CE1 3.6Å; K31-E316 VanDerWaalsContact NZ-CD 3.32Å; K31-E316 IonicContact NZ-OE1 3.22Å; K31-E316 PolarHBondContact NZ-OE1 2.88Å; K31-E316 IonicContact NZ-OE2 2.7Å; K31-E316 PolarHBondContact NZ-OE2 3.45Å |
| 32 | G | 75.1 | Confident | 87.5 | Confident | 36 Ų | 36 | 40 Ų | 40 | 37% | 0.371 | 21% | 0.214 | S | C | . | . | trans | -98.2 | 171.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | F34 G35 | G32-F34 PolarHBondContact O-N 3.25Å; G32-G35 CarbonylContact C-O 3.59Å; G32-G35 PolarHBondContact N-O 3.34Å; G32-G35 VanDerWaalsContact O-O 3.04Å | ||
| 33 | S | 74.8 | Confident | 87.5 | Confident | 88 Ų | 88 | 41.3 Ų | 41.3 | 62% | 0.615 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -59 | -28.4 | 178.4 | -58.4 | 0 | 0 | 0 | 0 | 114 | R62 | S33-R62 PolarHBondContact O-NH1 2.82Š|
| 34 | F | 80.4 | Confident | 87.5 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -122.1 | 1.4 | -172.1 | -44.1 | -71.2 | 0 | 0 | 0 | 113.8 | G32 M54 N55 R62 E64 | G32-F34 PolarHBondContact O-N 3.25Å; F34-M54 HydrophobicContact CB-CB 4.4Å; F34-N55 PolarHBondContact O-N 2.75Å; F34-R62 HydrophobicContact CE1-CB 4.15Å; F34-R62 HydrophobicContact CE1-CG 4.5Å; F34-E64 HydrophobicContact CE1-CB 3.94Å; F34-E64 HydrophobicContact CE1-CG 3.68Å; F34-E64 HydrophobicContact CE2-CB 4.22Å; F34-E64 HydrophobicContact CE2-CG 4.3Å; F34-E64 HydrophobicContact CZ-CB 3.67Å; F34-E64 HydrophobicContact CZ-CG 3.37Å |
| 35 | G | 83.8 | Confident | 87.6 | Confident | 19 Ų | 19 | 45.6 Ų | 45.6 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.4 | -149.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | G32 Y53 | G32-G35 CarbonylContact C-O 3.59Å; G32-G35 PolarHBondContact N-O 3.34Å; G32-G35 VanDerWaalsContact O-O 3.04Å; G35-Y53 VanDerWaalsContact CA-O 3.31Å; G35-Y53 WeakPolarHBondContact CA-O 2.95Å |
| 36 | K | 86.1 | Confident | 87.8 | Confident | 41 Ų | 41 | 50.2 Ų | 50.2 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 168.6 | -179.1 | -33.7 | -175.8 | -169.5 | 163.8 | 0 | 111.4 | G30 Y53 E321 | G30-K36 WeakPolarHBondContact O-CA 3.41Å; G30-K36 WeakPolarHBondContact O-CB 3.44Å; K36-Y53 HydrophobicContact CB-CE1 3.98Å; K36-Y53 HydrophobicContact CB-CE2 3.83Å; K36-Y53 VanDerWaalsContact CB-CZ 3.4Å; K36-Y53 VanDerWaalsContact CB-OH 3.23Å; K36-Y53 WeakPolarHBondContact CB-OH 3.45Å; K36-Y53 WeakPolarHBondContact CD-OH 3.35Å; K36-Y53 HydrophobicContact CG-CE2 3.77Å; K36-Y53 VanDerWaalsContact CG-OH 3.25Å; K36-Y53 WeakPolarHBondContact CG-OH 3.47Å; K36-Y53 PolarHBondContact N-O 2.81Å; K36-Y53 VanDerWaalsContact O-CD1 3.32Å; K36-Y53 WeakPolarHBondContact O-CD1 3.33Å; K36-Y53 WeakPolarHBondContact O-CE1 3.46Å; K36-Y53 PolarHBondContact O-N 3.46Å; K36-E321 IonicContact NZ-OE1 3.58Å; K36-E321 PolarHBondContact NZ-OE1 2.71Å |
| 37 | V | 90.4 | Very high | 88.2 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.5 | 173.4 | -173.3 | 0 | 0 | 0 | 0 | 107.8 | I29 G30 A50 M51 K52 | I29-V37 HydrophobicContact CD1-CG1 4.04Å; I29-V37 HydrophobicContact CG1-CB 4.26Å; I29-V37 HydrophobicContact CG1-CG1 3.91Å; I29-V37 WeakPolarHBondContact CG1-O 3.38Å; I29-V37 PolarHBondContact N-O 3.14Å; G30-V37 PolarHBondContact N-O 2.66Å; G30-V37 PolarHBondContact O-N 2.85Å; V37-A50 HydrophobicContact CG1-CB 4.2Å; V37-M51 CarbonylContact C-O 3.46Å; V37-M51 WeakPolarHBondContact CA-O 3.44Å; V37-K52 HydrophobicContact CG2-CB 4.24Å; V37-K52 HydrophobicContact CG2-CG 4.3Å |
| 38 | C | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 147.2 | 179.5 | -70.7 | 0 | 0 | 0 | 0 | 111.3 | I25 R27 V40 A50 M51 Y53 | I25-C38 HydrophobicContact CG2-CB 3.95Å; R27-C38 CarbonylContact O-C 3.57Å; R27-C38 VanDerWaalsContact O-CA 3.23Å; R27-C38 WeakPolarHBondContact O-CA 3.46Å; C38-V40 HydrophobicContact CB-CG1 4.48Å; C38-A50 CarbonylContact O-C 3.54Å; C38-A50 WeakPolarHBondContact O-CA 3.44Å; C38-M51 PolarHBondContact N-O 2.87Å; C38-M51 PolarHBondContact O-N 3.34Å; C38-Y53 HydrophobicContact CB-CE1 4.34Å |
| 39 | I | 92 | Very high | 89.3 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 131.5 | 161.8 | -63.5 | 175.3 | 0 | 0 | 0 | 108.2 | L26 R27 I29 M48 Y49 L102 L104 L307 | L26-I39 HydrophobicContact CB-CB 4.44Å; L26-I39 HydrophobicContact CB-CG2 4.27Å; L26-I39 HydrophobicContact CD1-CG2 4.05Å; L26-I39 PolarHBondContact N-O 3.31Å; R27-I39 PolarHBondContact O-N 2.91Å; I29-I39 HydrophobicContact CD1-CG1 3.97Å; I29-I39 HydrophobicContact CG1-CG1 4.39Å; I29-I39 HydrophobicContact CG2-CD1 3.58Å; I29-I39 HydrophobicContact CG2-CG1 3.56Å; I39-M48 HydrophobicContact CG2-CE 3.26Å; I39-M48 HydrophobicContact CG2-SD 4.5Å; I39-Y49 WeakPolarHBondContact CA-O 3.36Å; I39-L102 HydrophobicContact CD1-CD1 4.35Å; I39-L102 HydrophobicContact CG1-CD1 3.81Å; I39-L102 HydrophobicContact CG1-CD2 4.29Å; I39-L102 HydrophobicContact CG2-CD2 3.86Å; I39-L104 HydrophobicContact CD1-CD2 4.44Å; I39-L307 HydrophobicContact CD1-CD2 4.26Å |
| 40 | V | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.3 | 177.7 | -55 | 0 | 0 | 0 | 0 | 110.7 | F23 Q24 I25 C38 M48 Y49 M51 | F23-V40 HydrophobicContact CB-CB 4.3Å; F23-V40 HydrophobicContact CD1-CB 4.28Å; F23-V40 HydrophobicContact CD1-CG2 3.75Å; F23-V40 HydrophobicContact CE1-CG2 4.38Å; F23-V40 HydrophobicContact CG-CG2 4.44Å; Q24-V40 CarbonylContact O-C 3.57Å; Q24-V40 VanDerWaalsContact O-CA 3.28Å; Q24-V40 WeakPolarHBondContact O-CA 3.48Å; I25-V40 HydrophobicContact CD1-CB 4.33Å; I25-V40 HydrophobicContact CD1-CG1 3.34Å; C38-V40 HydrophobicContact CB-CG1 4.48Å; V40-M48 CarbonylContact O-C 3.58Å; V40-M48 WeakPolarHBondContact O-CA 3.46Å; V40-Y49 PolarHBondContact N-O 3.47Å; V40-Y49 PolarHBondContact O-N 2.69Å; V40-M51 HydrophobicContact CB-CB 4.33Å; V40-M51 HydrophobicContact CB-CE 4.33Å; V40-M51 HydrophobicContact CG1-CB 3.46Å; V40-M51 VanDerWaalsContact CG1-CB 3.46Å; V40-M51 HydrophobicContact CG1-CE 3.99Å; V40-M51 HydrophobicContact CG1-CG 4.37Å; V40-M51 HydrophobicContact CG1-SD 4.1Å; V40-M51 HydrophobicContact CG2-CB 3.88Å; V40-M51 HydrophobicContact CG2-CE 4.08Å |
| 41 | Q | 95.9 | Very high | 90.5 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.2 | 172.3 | -170.5 | 175.5 | 55.7 | 0 | 0 | 109.9 | F23 Q24 L26 K43 K46 K47 M48 | F23-Q41 CarbonylContact C-O 3.56Å; F23-Q41 WeakPolarHBondContact CA-O 3.4Å; Q24-Q41 HydrophobicContact CB-CB 4.49Å; Q24-Q41 PolarHBondContact N-O 3.39Å; Q24-Q41 PolarHBondContact O-N 3.3Å; L26-Q41 HydrophobicContact CD1-CB 4.12Å; Q41-K43 PolarHBondContact O-N 3.11Å; Q41-K46 WeakPolarHBondContact CG-O 3.36Å; Q41-K46 PolarHBondContact NE2-O 2.68Å; Q41-K47 WeakPolarHBondContact CA-O 3.24Å; Q41-M48 HydrophobicContact CB-SD 3.61Å; Q41-M48 HydrophobicContact CG-SD 3.81Å |
| 42 | K | 96.2 | Very high | 91 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 127.5 | 172.2 | -160.3 | -172.4 | 176.3 | -123.5 | 0 | 109.2 | F23 D44 K46 K47 Y49 E367 | F23-K42 HydrophobicContact CD1-CB 4.04Å; F23-K42 HydrophobicContact CD1-CG 4.26Å; F23-K42 HydrophobicContact CE1-CB 3.82Å; F23-K42 HydrophobicContact CE1-CD 4.44Å; F23-K42 HydrophobicContact CE1-CG 3.84Å; F23-K42 HydrophobicContact CZ-CG 4.17Å; K42-D44 VanDerWaalsContact CD-OD1 3.24Å; K42-D44 WeakPolarHBondContact CD-OD1 3.3Å; K42-D44 WeakPolarHBondContact CE-OD1 3.49Å; K42-D44 WeakPolarHBondContact CG-OD1 3.19Å; K42-D44 VanDerWaalsContact NZ-CG 3.27Å; K42-D44 IonicContact NZ-OD1 3.04Å; K42-D44 PolarHBondContact NZ-OD1 3.37Å; K42-D44 IonicContact NZ-OD2 2.75Å; K42-D44 PolarHBondContact NZ-OD2 2.96Å; K42-D44 PolarHBondContact O-N 3.49Å; K42-K46 WeakPolarHBondContact O-CA 3.21Å; K42-K46 PolarHBondContact O-N 3.39Å; K42-K47 PolarHBondContact N-O 2.98Å; K42-Y49 HydrophobicContact CB-CD2 4.44Å; K42-Y49 HydrophobicContact CB-CE2 4.01Å; K42-E367 IonicContact NZ-OE2 2.68Å; K42-E367 PolarHBondContact NZ-OE2 2.77Å |
| 43 | K | 94.8 | Very high | 91.7 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -34.7 | -164.4 | -74.2 | 177.6 | -178.1 | 170.1 | 0 | 114.3 | D21 H22 Q41 K46 | D21-K43 WeakPolarHBondContact O-CD 3.29Å; D21-K43 WeakPolarHBondContact O-CE 3.37Å; D21-K43 PolarHBondContact O-NZ 2.97Å; H22-K43 WeakPolarHBondContact O-CG 3.34Å; H22-K43 PolarHBondContact O-N 3.04Å; Q41-K43 PolarHBondContact O-N 3.11Å; K43-K46 WeakPolarHBondContact O-CD 3.45Å; K43-K46 VanDerWaalsContact O-CE 3.3Å; K43-K46 WeakPolarHBondContact O-CE 3.32Å; K43-K46 PolarHBondContact O-NZ 3.15Å |
| 44 | D | 93.8 | Very high | 92.5 | Very high | 103 Ų | 103 | 39.3 Ų | 39.3 | 55% | 0.551 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -49.5 | -176.7 | 59.9 | -17.8 | 0 | 0 | 0 | 112.2 | K42 | K42-D44 VanDerWaalsContact CD-OD1 3.24Å; K42-D44 WeakPolarHBondContact CD-OD1 3.3Å; K42-D44 WeakPolarHBondContact CE-OD1 3.49Å; K42-D44 WeakPolarHBondContact CG-OD1 3.19Å; K42-D44 VanDerWaalsContact NZ-CG 3.27Å; K42-D44 IonicContact NZ-OD1 3.04Å; K42-D44 PolarHBondContact NZ-OD1 3.37Å; K42-D44 IonicContact NZ-OD2 2.75Å; K42-D44 PolarHBondContact NZ-OD2 2.96Å; K42-D44 PolarHBondContact O-N 3.49Å |
| 45 | T | 94.8 | Very high | 93.1 | Very high | 70 Ų | 70 | 39.5 Ų | 39.5 | 43% | 0.429 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -14.8 | -175.9 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | K47 | T45-K47 PolarHBondContact O-N 2.73Å; T45-K47 VanDerWaalsContact O-N 3.08Å; T45-K47 PolarHBondContact OG1-N 2.74Å |
| 46 | K | 95.1 | Very high | 93.6 | Very high | 123 Ų | 123 | 38.9 Ų | 38.9 | 54% | 0.535 | 19% | 0.189 | S | C | . | . | trans | 59.6 | 10.2 | -170.2 | -52.8 | -54.6 | -174.9 | -165.8 | 0 | 114.5 | Q41 K42 K43 | Q41-K46 WeakPolarHBondContact CG-O 3.36Å; Q41-K46 PolarHBondContact NE2-O 2.68Å; K42-K46 WeakPolarHBondContact O-CA 3.21Å; K42-K46 PolarHBondContact O-N 3.39Å; K43-K46 WeakPolarHBondContact O-CD 3.45Å; K43-K46 VanDerWaalsContact O-CE 3.3Å; K43-K46 WeakPolarHBondContact O-CE 3.32Å; K43-K46 PolarHBondContact O-NZ 3.15Å | ||
| 47 | K | 95.6 | Very high | 93.8 | Very high | 86 Ų | 86 | 40.1 Ų | 40.1 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | trans | -71 | 139.7 | 177.9 | -174.2 | 165.5 | 166.1 | -172.9 | 0 | 110.7 | Q41 K42 T45 Y49 W87 | Q41-K47 WeakPolarHBondContact CA-O 3.24Å; K42-K47 PolarHBondContact N-O 2.98Å; T45-K47 PolarHBondContact O-N 2.73Å; T45-K47 VanDerWaalsContact O-N 3.08Å; T45-K47 PolarHBondContact OG1-N 2.74Å; K47-Y49 HydrophobicContact CB-CE2 3.78Å; K47-Y49 HydrophobicContact CD-CE1 4.32Å; K47-Y49 HydrophobicContact CD-CE2 4.22Å; K47-Y49 VanDerWaalsContact CD-OH 3.26Å; K47-Y49 WeakPolarHBondContact CD-OH 3.37Å; K47-Y49 HydrophobicContact CG-CD2 4.45Å; K47-Y49 HydrophobicContact CG-CE1 4.4Å; K47-Y49 HydrophobicContact CG-CE2 3.68Å; K47-Y49 WeakPolarHBondContact O-CD2 3.18Å; K47-W87 VanDerWaalsContact NZ-CH2 3.35Å; K47-W87 VanDerWaalsContact NZ-CZ2 3.28Å | ||
| 48 | M | 95.9 | Very high | 93.9 | Very high | 71 Ų | 71 | 43 Ų | 43 | 35% | 0.35 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 142 | -176.1 | -63.4 | -76.6 | -74.7 | 0 | 0 | 110.4 | L26 I39 V40 Q41 L102 | L26-M48 HydrophobicContact CD1-CE 3.45Å; L26-M48 VanDerWaalsContact CD1-CE 3.45Å; L26-M48 HydrophobicContact CD1-SD 3.64Å; I39-M48 HydrophobicContact CG2-CE 3.26Å; I39-M48 HydrophobicContact CG2-SD 4.5Å; V40-M48 CarbonylContact O-C 3.58Å; V40-M48 WeakPolarHBondContact O-CA 3.46Å; Q41-M48 HydrophobicContact CB-SD 3.61Å; Q41-M48 HydrophobicContact CG-SD 3.81Å; M48-L102 HydrophobicContact CB-CD2 3.81Å; M48-L102 HydrophobicContact CE-CD2 4.29Å |
| 49 | Y | 97.1 | Very high | 94 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 165.6 | -178.5 | -60.9 | -88.7 | 0 | 0 | 0 | 110.6 | F23 I39 V40 K42 K47 W87 Y88 V99 V100 | F23-Y49 HydrophobicContact CE1-CD2 4.18Å; I39-Y49 WeakPolarHBondContact CA-O 3.36Å; V40-Y49 PolarHBondContact N-O 3.47Å; V40-Y49 PolarHBondContact O-N 2.69Å; K42-Y49 HydrophobicContact CB-CD2 4.44Å; K42-Y49 HydrophobicContact CB-CE2 4.01Å; K47-Y49 HydrophobicContact CB-CE2 3.78Å; K47-Y49 HydrophobicContact CD-CE1 4.32Å; K47-Y49 HydrophobicContact CD-CE2 4.22Å; K47-Y49 VanDerWaalsContact CD-OH 3.26Å; K47-Y49 WeakPolarHBondContact CD-OH 3.37Å; K47-Y49 HydrophobicContact CG-CD2 4.45Å; K47-Y49 HydrophobicContact CG-CE1 4.4Å; K47-Y49 HydrophobicContact CG-CE2 3.68Å; K47-Y49 WeakPolarHBondContact O-CD2 3.18Å; Y49-W87 HydrophobicContact CD1-CB 4.47Å; Y49-W87 AromaticContact CD1-CD1 3.98Å; Y49-W87 HydrophobicContact CD1-CG 4.15Å; Y49-W87 HydrophobicContact CE1-CB 4.06Å; Y49-W87 AromaticContact CE1-CD1 3.73Å; Y49-W87 AromaticContact CE1-CD2 3.81Å; Y49-W87 HydrophobicContact CE1-CD2 3.81Å; Y49-W87 HydrophobicContact CE1-CE3 4.44Å; Y49-W87 AromaticContact CE1-CG 3.59Å; Y49-W87 HydrophobicContact CE1-CG 3.59Å; Y49-Y88 HydrophobicContact CE1-CE2 4.07Å; Y49-Y88 HydrophobicContact CE2-CE2 4.21Å; Y49-Y88 AromaticContact CZ-CE2 3.81Å; Y49-Y88 PolarHBondContact OH-OH 2.85Å; Y49-V99 VanDerWaalsContact CB-CG1 3.43Å; Y49-V99 HydrophobicContact CD1-CG1 3.91Å; Y49-V99 HydrophobicContact CD2-CG1 4.31Å; Y49-V99 HydrophobicContact CG-CG1 3.64Å; Y49-V100 WeakPolarHBondContact CB-O 3.47Å |
| 50 | A | 95.9 | Very high | 94 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.3 | 162 | 0 | 0 | 0 | 0 | 0 | 109 | I29 V37 C38 V99 V100 L102 | I29-A50 HydrophobicContact CD1-CB 4.29Å; V37-A50 HydrophobicContact CG1-CB 4.2Å; C38-A50 CarbonylContact O-C 3.54Å; C38-A50 WeakPolarHBondContact O-CA 3.44Å; A50-V99 WeakPolarHBondContact O-CA 3.42Å; A50-V100 HydrophobicContact CB-CG2 3.95Å; A50-V100 PolarHBondContact N-O 2.87Å; A50-V100 PolarHBondContact O-N 3.07Å; A50-L102 HydrophobicContact CB-CD1 4.19Å |
| 51 | M | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.5 | 176.8 | -176.9 | -175.6 | -69.8 | 0 | 0 | 109.9 | F20 F23 I25 V37 C38 V40 F90 F97 M98 V99 | F20-M51 HydrophobicContact CD2-SD 4.14Å; F20-M51 HydrophobicContact CE2-SD 4.06Å; F23-M51 HydrophobicContact CB-CE 3.75Å; F23-M51 HydrophobicContact CD1-CE 4.1Å; F23-M51 HydrophobicContact CD2-CE 3.71Å; F23-M51 HydrophobicContact CE2-CE 4.35Å; F23-M51 HydrophobicContact CG-CE 3.57Å; I25-M51 HydrophobicContact CD1-CE 4.42Å; I25-M51 HydrophobicContact CD1-SD 3.98Å; V37-M51 CarbonylContact C-O 3.46Å; V37-M51 WeakPolarHBondContact CA-O 3.44Å; C38-M51 PolarHBondContact N-O 2.87Å; C38-M51 PolarHBondContact O-N 3.34Å; V40-M51 HydrophobicContact CB-CB 4.33Å; V40-M51 HydrophobicContact CB-CE 4.33Å; V40-M51 HydrophobicContact CG1-CB 3.46Å; V40-M51 VanDerWaalsContact CG1-CB 3.46Å; V40-M51 HydrophobicContact CG1-CE 3.99Å; V40-M51 HydrophobicContact CG1-CG 4.37Å; V40-M51 HydrophobicContact CG1-SD 4.1Å; V40-M51 HydrophobicContact CG2-CB 3.88Å; V40-M51 HydrophobicContact CG2-CE 4.08Å; M51-F90 HydrophobicContact CE-CE2 4.5Å; M51-F90 HydrophobicContact CE-CZ 3.69Å; M51-F90 HydrophobicContact SD-CZ 4.49Å; M51-F97 HydrophobicContact CG-CD1 4.28Å; M51-F97 HydrophobicContact SD-CD1 3.7Å; M51-F97 HydrophobicContact SD-CE1 4.39Å; M51-F97 HydrophobicContact SD-CG 4.5Å; M51-M98 CarbonylContact C-O 3.56Å; M51-M98 VanDerWaalsContact CA-O 3.29Å; M51-M98 WeakPolarHBondContact CA-O 3.35Å; M51-V99 HydrophobicContact CB-CG2 4.4Å; M51-V99 HydrophobicContact CE-CG2 3.77Å; M51-V99 HydrophobicContact CG-CG2 4.1Å |
| 52 | K | 93 | Very high | 93.6 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 18% | 0.183 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121.1 | 169.3 | -179.2 | -174.9 | 179.9 | -170.1 | 0 | 107.6 | V37 M54 E71 F97 M98 N166 | V37-K52 HydrophobicContact CG2-CB 4.24Å; V37-K52 HydrophobicContact CG2-CG 4.3Å; K52-M54 HydrophobicContact CD-SD 4.22Å; K52-M54 HydrophobicContact CG-CG 4.19Å; K52-M54 HydrophobicContact CG-SD 4.39Å; K52-E71 IonicContact NZ-OE1 3.65Å; K52-E71 PolarHBondContact NZ-OE1 3.14Å; K52-E71 IonicContact NZ-OE2 3.7Å; K52-E71 PolarHBondContact NZ-OE2 3.24Å; K52-F97 WeakPolarHBondContact O-CA 3.37Å; K52-M98 HydrophobicContact CB-CB 4.31Å; K52-M98 HydrophobicContact CD-SD 4.39Å; K52-M98 PolarHBondContact N-O 3.15Å; K52-M98 PolarHBondContact O-N 2.93Å; K52-N166 PolarHBondContact NZ-OD1 3.29Å |
| 53 | Y | 89.6 | Confident | 93.3 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 139.4 | 170.5 | 49.9 | -89.5 | 0 | 0 | 0 | 110.1 | G35 K36 C38 M96 | G35-Y53 VanDerWaalsContact CA-O 3.31Å; G35-Y53 WeakPolarHBondContact CA-O 2.95Å; K36-Y53 HydrophobicContact CB-CE1 3.98Å; K36-Y53 HydrophobicContact CB-CE2 3.83Å; K36-Y53 VanDerWaalsContact CB-CZ 3.4Å; K36-Y53 VanDerWaalsContact CB-OH 3.23Å; K36-Y53 WeakPolarHBondContact CB-OH 3.45Å; K36-Y53 WeakPolarHBondContact CD-OH 3.35Å; K36-Y53 HydrophobicContact CG-CE2 3.77Å; K36-Y53 VanDerWaalsContact CG-OH 3.25Å; K36-Y53 WeakPolarHBondContact CG-OH 3.47Å; K36-Y53 PolarHBondContact N-O 2.81Å; K36-Y53 VanDerWaalsContact O-CD1 3.32Å; K36-Y53 WeakPolarHBondContact O-CD1 3.33Å; K36-Y53 WeakPolarHBondContact O-CE1 3.46Å; K36-Y53 PolarHBondContact O-N 3.46Å; C38-Y53 HydrophobicContact CB-CE1 4.34Å; Y53-M96 CarbonylContact C-O 3.6Å; Y53-M96 WeakPolarHBondContact CA-O 3.49Å |
| 54 | M | 92.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 119.2 | -172.8 | -63.8 | 162.3 | -73.9 | 0 | 0 | 108.7 | F34 K52 K56 V68 D95 M96 M98 | F34-M54 HydrophobicContact CB-CB 4.4Å; K52-M54 HydrophobicContact CD-SD 4.22Å; K52-M54 HydrophobicContact CG-CG 4.19Å; K52-M54 HydrophobicContact CG-SD 4.39Å; M54-K56 PolarHBondContact O-N 2.99Å; M54-V68 HydrophobicContact CE-CG1 3.91Å; M54-V68 HydrophobicContact SD-CG1 3.76Å; M54-V68 HydrophobicContact SD-CG2 3.97Å; M54-D95 WeakPolarHBondContact O-CA 3.08Å; M54-M96 HydrophobicContact CB-CB 4.48Å; M54-M96 HydrophobicContact CB-CE 4.36Å; M54-M96 HydrophobicContact CE-CB 4.19Å; M54-M96 PolarHBondContact N-O 3.31Å; M54-M96 PolarHBondContact O-N 3.16Å; M54-M98 HydrophobicContact CE-CB 4.35Å; M54-M98 HydrophobicContact CE-CG 3.63Å; M54-M98 HydrophobicContact CE-SD 3.5Å; M54-M98 VanDerWaalsContact CE-SD 3.5Å; M54-M98 HydrophobicContact SD-SD 4.2Å |
| 55 | N | 93 | Very high | 93.1 | Very high | 35 Ų | 35 | 52.1 Ų | 52.1 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 122.5 | -176.5 | -176 | -99.4 | 0 | 0 | 0 | 111.8 | F34 L57 K58 C59 E94 D95 | F34-N55 PolarHBondContact O-N 2.75Å; N55-L57 VanDerWaalsContact C-N 3.35Å; N55-L57 PolarHBondContact O-N 3.46Å; N55-L57 WeakPolarHBondContact OD1-CB 3.44Å; N55-L57 PolarHBondContact OD1-N 2.96Å; N55-K58 HydrophobicContact CB-CB 4.2Å; N55-K58 HydrophobicContact CB-CD 4.11Å; N55-K58 HydrophobicContact CB-CG 4.2Å; N55-K58 PolarHBondContact O-N 3.22Å; N55-K58 PolarHBondContact OD1-N 2.82Å; N55-K58 VanDerWaalsContact OD1-N 3.11Å; N55-C59 PolarHBondContact O-N 3.01Å; N55-C59 PolarHBondContact O-SG 3.25Å; N55-C59 VanDerWaalsContact O-SG 3.33Å; N55-E94 PolarHBondContact ND2-O 2.81Å; N55-D95 WeakPolarHBondContact CA-OD1 3.49Å; N55-D95 WeakPolarHBondContact CB-OD1 3.47Å; N55-D95 PolarHBondContact ND2-OD1 2.77Å; N55-D95 VanDerWaalsContact ND2-OD1 3.14Å |
| 56 | K | 92.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 2% | 0.022 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.7 | -46.2 | -174.8 | -71.5 | 178.8 | 169.4 | -173.7 | 0 | 111.9 | M54 K58 C59 V60 D92 E94 M96 L354 V357 | M54-K56 PolarHBondContact O-N 2.99Å; K56-K58 PolarHBondContact O-N 3.35Å; K56-C59 PolarHBondContact O-N 3.3Å; K56-V60 WeakPolarHBondContact O-CG2 3.46Å; K56-V60 PolarHBondContact O-N 3.08Å; K56-D92 VanDerWaalsContact CE-O 3.25Å; K56-D92 WeakPolarHBondContact CE-O 3.4Å; K56-D92 PolarHBondContact NZ-O 2.89Å; K56-E94 WeakPolarHBondContact CB-O 3.23Å; K56-E94 WeakPolarHBondContact CG-O 3.42Å; K56-E94 PolarHBondContact N-O 3.25Å; K56-M96 HydrophobicContact CG-CG 3.94Å; K56-L354 HydrophobicContact CB-CD2 3.74Å; K56-V357 HydrophobicContact CD-CG1 4.4Å; K56-V357 HydrophobicContact CG-CG1 4.31Å |
| 57 | L | 91.3 | Very high | 92.6 | Very high | 67 Ų | 67 | 55.6 Ų | 55.6 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.2 | -50.3 | 179.5 | 178.4 | 60.3 | 0 | 0 | 0 | 111.1 | N55 C59 V60 E61 L350 | N55-L57 VanDerWaalsContact C-N 3.35Å; N55-L57 PolarHBondContact O-N 3.46Å; N55-L57 WeakPolarHBondContact OD1-CB 3.44Å; N55-L57 PolarHBondContact OD1-N 2.96Å; L57-C59 VanDerWaalsContact C-N 3.31Å; L57-C59 PolarHBondContact O-N 2.79Å; L57-V60 PolarHBondContact O-N 2.83Å; L57-V60 VanDerWaalsContact O-N 3.15Å; L57-E61 HydrophobicContact CD1-CG 4.14Å; L57-E61 HydrophobicContact CG-CG 4.47Å; L57-E61 WeakPolarHBondContact O-CG 3.28Å; L57-E61 PolarHBondContact O-N 2.7Å; L57-L350 HydrophobicContact CD1-CD1 3.81Å; L57-L350 HydrophobicContact CD1-CD2 3.72Å; L57-L350 HydrophobicContact CD1-CG 4.14Å |
| 58 | K | 92.3 | Very high | 92.4 | Very high | 99 Ų | 99 | 51.7 Ų | 51.7 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 177.1 | -69.3 | -178.6 | -176.5 | 174.9 | 0 | 112.9 | N55 K56 R62 | N55-K58 HydrophobicContact CB-CB 4.2Å; N55-K58 HydrophobicContact CB-CD 4.11Å; N55-K58 HydrophobicContact CB-CG 4.2Å; N55-K58 PolarHBondContact O-N 3.22Å; N55-K58 PolarHBondContact OD1-N 2.82Å; N55-K58 VanDerWaalsContact OD1-N 3.11Å; K56-K58 PolarHBondContact O-N 3.35Å; K58-R62 WeakPolarHBondContact O-CB 3.36Å; K58-R62 WeakPolarHBondContact O-CG 3.26Å; K58-R62 PolarHBondContact O-N 3.33Å; K58-R62 VanDerWaalsContact O-N 3.13Å |
| 59 | C | 92.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 176.5 | -70.7 | 0 | 0 | 0 | 0 | 111.8 | N55 K56 L57 N63 E64 V65 M96 | N55-C59 PolarHBondContact O-N 3.01Å; N55-C59 PolarHBondContact O-SG 3.25Å; N55-C59 VanDerWaalsContact O-SG 3.33Å; K56-C59 PolarHBondContact O-N 3.3Å; L57-C59 VanDerWaalsContact C-N 3.31Å; L57-C59 PolarHBondContact O-N 2.79Å; C59-N63 PolarHBondContact O-N 3.06Å; C59-N63 VanDerWaalsContact O-N 3.09Å; C59-E64 PolarHBondContact O-N 3.09Å; C59-V65 HydrophobicContact CB-CG2 3.95Å; C59-M96 HydrophobicContact CB-CE 4.11Å |
| 60 | V | 92.7 | Very high | 92 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.6 | -47 | 177.9 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | K56 L57 R62 N63 V65 L350 R353 L354 V357 | K56-V60 WeakPolarHBondContact O-CG2 3.46Å; K56-V60 PolarHBondContact O-N 3.08Å; L57-V60 PolarHBondContact O-N 2.83Å; L57-V60 VanDerWaalsContact O-N 3.15Å; V60-R62 VanDerWaalsContact C-N 3.28Å; V60-R62 PolarHBondContact O-N 3.46Å; V60-N63 PolarHBondContact O-N 3.4Å; V60-N63 VanDerWaalsContact O-N 3.13Å; V60-V65 HydrophobicContact CG2-CG2 3.72Å; V60-L350 HydrophobicContact CG1-CD1 3.75Å; V60-R353 HydrophobicContact CG1-CB 3.69Å; V60-R353 HydrophobicContact CG1-CG 4.44Å; V60-R353 HydrophobicContact CG2-CB 4.46Å; V60-R353 PolarHBondContact O-NH1 3.17Å; V60-R353 PolarHBondContact O-NH2 2.86Å; V60-L354 HydrophobicContact CG2-CD2 4Å; V60-V357 HydrophobicContact CG2-CG2 3.8Å |
| 61 | E | 91.8 | Very high | 91.9 | Very high | 126 Ų | 126 | 53 Ų | 53 | 59% | 0.589 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -59.5 | -38.6 | 178.7 | -73.3 | 174.9 | 160.8 | 0 | 0 | 112.2 | L57 | L57-E61 HydrophobicContact CD1-CG 4.14Å; L57-E61 HydrophobicContact CG-CG 4.47Å; L57-E61 WeakPolarHBondContact O-CG 3.28Å; L57-E61 PolarHBondContact O-N 2.7Å |
| 62 | R | 90.4 | Very high | 91.8 | Very high | 148 Ų | 148 | 53.1 Ų | 53.1 | 56% | 0.558 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 0.1 | 179.1 | -65.5 | 178.7 | 176.9 | -176.5 | 3.7 | 114.2 | S33 F34 K58 V60 E64 | S33-R62 PolarHBondContact O-NH1 2.82Å; F34-R62 HydrophobicContact CE1-CB 4.15Å; F34-R62 HydrophobicContact CE1-CG 4.5Å; K58-R62 WeakPolarHBondContact O-CB 3.36Å; K58-R62 WeakPolarHBondContact O-CG 3.26Å; K58-R62 PolarHBondContact O-N 3.33Å; K58-R62 VanDerWaalsContact O-N 3.13Å; V60-R62 VanDerWaalsContact C-N 3.28Å; V60-R62 PolarHBondContact O-N 3.46Å; R62-E64 VanDerWaalsContact C-N 3.34Å; R62-E64 HydrophobicContact CB-CG 3.91Å; R62-E64 PolarHBondContact O-N 3.2Å |
| 63 | N | 90.8 | Very high | 91.8 | Very high | 99 Ų | 99 | 55.8 Ų | 55.8 | 53% | 0.529 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 37.1 | -178.5 | -161.2 | 43 | 0 | 0 | 0 | 114.6 | C59 V60 R353 | C59-N63 PolarHBondContact O-N 3.06Å; C59-N63 VanDerWaalsContact O-N 3.09Å; V60-N63 PolarHBondContact O-N 3.4Å; V60-N63 VanDerWaalsContact O-N 3.13Å; N63-R353 PolarHBondContact OD1-NH2 2.96Å |
| 64 | E | 91.3 | Very high | 92 | Very high | 59 Ų | 59 | 54.6 Ų | 54.6 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | trans | -105 | -6.9 | -171.5 | -72.1 | -75.4 | 164.9 | 0 | 0 | 113.4 | F34 C59 R62 R66 N67 V68 | F34-E64 HydrophobicContact CE1-CB 3.94Å; F34-E64 HydrophobicContact CE1-CG 3.68Å; F34-E64 HydrophobicContact CE2-CB 4.22Å; F34-E64 HydrophobicContact CE2-CG 4.3Å; F34-E64 HydrophobicContact CZ-CB 3.67Å; F34-E64 HydrophobicContact CZ-CG 3.37Å; C59-E64 PolarHBondContact O-N 3.09Å; R62-E64 VanDerWaalsContact C-N 3.34Å; R62-E64 HydrophobicContact CB-CG 3.91Å; R62-E64 PolarHBondContact O-N 3.2Å; E64-R66 PolarHBondContact O-N 2.66Å; E64-N67 WeakPolarHBondContact O-CB 3.24Å; E64-N67 PolarHBondContact O-N 2.99Å; E64-N67 PolarHBondContact OE2-ND2 2.95Å; E64-V68 PolarHBondContact O-N 3.31Å; E64-V68 VanDerWaalsContact O-N 3.07Å | ||
| 65 | V | 91.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -51.9 | -43.7 | 179 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | C59 V60 N67 V68 L69 V357 | C59-V65 HydrophobicContact CB-CG2 3.95Å; V60-V65 HydrophobicContact CG2-CG2 3.72Å; V65-N67 VanDerWaalsContact C-N 3.29Å; V65-N67 PolarHBondContact O-N 3.18Å; V65-V68 PolarHBondContact O-N 2.56Å; V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 HydrophobicContact CG1-CG 4.25Å; V65-L69 WeakPolarHBondContact O-CG 3.44Å; V65-L69 PolarHBondContact O-N 3.21Å; V65-V357 HydrophobicContact CB-CG2 4.45Å; V65-V357 HydrophobicContact CG1-CG1 4.39Å; V65-V357 HydrophobicContact CG1-CG2 3.77Å; V65-V357 HydrophobicContact CG2-CG2 3.79Å |
| 66 | R | 90.7 | Very high | 92.3 | Very high | 197 Ų | 197 | 55.4 Ų | 55.4 | 74% | 0.743 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62 | -37.2 | 179.3 | -70.9 | -177.2 | 178.9 | 164.6 | -0.1 | 112.5 | E64 K70 | E64-R66 PolarHBondContact O-N 2.66Å; R66-K70 VanDerWaalsContact O-CB 3.27Å; R66-K70 WeakPolarHBondContact O-CB 3.37Å; R66-K70 PolarHBondContact O-N 3.34Å |
| 67 | N | 90 | Very high | 92.3 | Very high | 69 Ų | 69 | 60 Ų | 60 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.9 | -41.7 | 178.4 | -65.5 | -25.7 | 0 | 0 | 0 | 110.6 | E64 V65 K70 E71 | E64-N67 WeakPolarHBondContact O-CB 3.24Å; E64-N67 PolarHBondContact O-N 2.99Å; E64-N67 PolarHBondContact OE2-ND2 2.95Å; V65-N67 VanDerWaalsContact C-N 3.29Å; V65-N67 PolarHBondContact O-N 3.18Å; N67-K70 PolarHBondContact O-N 2.94Å; N67-E71 WeakPolarHBondContact O-CB 3.46Å; N67-E71 PolarHBondContact O-N 3.49Å |
| 68 | V | 91.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 175.1 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | M54 E64 V65 K70 E71 L72 M96 | M54-V68 HydrophobicContact CE-CG1 3.91Å; M54-V68 HydrophobicContact SD-CG1 3.76Å; M54-V68 HydrophobicContact SD-CG2 3.97Å; E64-V68 PolarHBondContact O-N 3.31Å; E64-V68 VanDerWaalsContact O-N 3.07Å; V65-V68 PolarHBondContact O-N 2.56Å; V68-K70 VanDerWaalsContact C-N 3.3Å; V68-K70 PolarHBondContact O-N 3.32Å; V68-E71 WeakPolarHBondContact O-CB 3.45Å; V68-E71 PolarHBondContact O-N 3.11Å; V68-L72 HydrophobicContact CG1-CD1 4.34Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 2.87Å; V68-M96 HydrophobicContact CB-CE 4.49Å; V68-M96 HydrophobicContact CG1-CE 4.03Å; V68-M96 HydrophobicContact CG1-SD 4.21Å |
| 69 | L | 92.3 | Very high | 92.9 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 178.1 | -66.4 | 179.1 | 0 | 0 | 0 | 112 | V65 L72 Q73 D360 F361 | V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 HydrophobicContact CG1-CG 4.25Å; V65-L69 WeakPolarHBondContact O-CG 3.44Å; V65-L69 PolarHBondContact O-N 3.21Å; L69-L72 HydrophobicContact CD2-CD1 4.36Å; L69-Q73 WeakPolarHBondContact O-CB 3.23Å; L69-Q73 PolarHBondContact O-N 2.86Å; L69-D360 HydrophobicContact CD1-CB 4.18Å; L69-F361 HydrophobicContact CD2-CD2 4.09Å |
| 70 | K | 92.2 | Very high | 93.2 | Very high | 72 Ų | 72 | 57.3 Ų | 57.3 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66 | -43 | 174.3 | -174.5 | -172.4 | -180 | -161 | 0 | 112 | R66 N67 V68 Q73 I74 A168 | R66-K70 VanDerWaalsContact O-CB 3.27Å; R66-K70 WeakPolarHBondContact O-CB 3.37Å; R66-K70 PolarHBondContact O-N 3.34Å; N67-K70 PolarHBondContact O-N 2.94Å; V68-K70 VanDerWaalsContact C-N 3.3Å; V68-K70 PolarHBondContact O-N 3.32Å; K70-Q73 PolarHBondContact O-N 2.85Å; K70-I74 HydrophobicContact CG-CD1 4.19Å; K70-I74 WeakPolarHBondContact O-CG1 3.45Å; K70-I74 PolarHBondContact O-N 3.06Å; K70-A168 WeakPolarHBondContact CE-O 3.23Å; K70-A168 PolarHBondContact NZ-O 3.48Å |
| 71 | E | 93 | Very high | 93.4 | Very high | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.028 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.1 | -50.8 | 174.9 | -174.7 | -172.9 | -162.5 | 0 | 0 | 110.1 | K52 N67 V68 Q73 I74 M75 M98 F165 N166 | K52-E71 IonicContact NZ-OE1 3.65Å; K52-E71 PolarHBondContact NZ-OE1 3.14Å; K52-E71 IonicContact NZ-OE2 3.7Å; K52-E71 PolarHBondContact NZ-OE2 3.24Å; N67-E71 WeakPolarHBondContact O-CB 3.46Å; N67-E71 PolarHBondContact O-N 3.49Å; V68-E71 WeakPolarHBondContact O-CB 3.45Å; V68-E71 PolarHBondContact O-N 3.11Å; E71-Q73 VanDerWaalsContact C-N 3.33Å; E71-Q73 PolarHBondContact O-N 3.1Å; E71-I74 PolarHBondContact O-N 2.97Å; E71-M75 HydrophobicContact CG-CG 4.35Å; E71-M75 HydrophobicContact CG-SD 3.9Å; E71-M75 WeakPolarHBondContact O-CB 3.22Å; E71-M75 WeakPolarHBondContact O-CG 3.42Å; E71-M75 PolarHBondContact O-N 2.79Å; E71-M98 HydrophobicContact CG-CE 4.03Å; E71-F165 HydrophobicContact CG-CB 4.23Å; E71-N166 PolarHBondContact OE1-OD1 3.2Å; E71-N166 PolarHBondContact OE2-OD1 3.29Å |
| 72 | L | 92.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55 | -46.8 | 174.8 | -76.2 | 169.5 | 0 | 0 | 0 | 112.2 | V68 L69 I74 M75 Q76 F86 M98 F361 | V68-L72 HydrophobicContact CG1-CD1 4.34Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 2.87Å; L69-L72 HydrophobicContact CD2-CD1 4.36Å; L72-I74 VanDerWaalsContact C-N 3.3Å; L72-I74 PolarHBondContact O-N 2.79Å; L72-M75 PolarHBondContact O-N 2.64Å; L72-Q76 WeakPolarHBondContact O-CG 3.42Å; L72-Q76 PolarHBondContact O-N 2.81Å; L72-F86 HydrophobicContact CD2-CE1 4.21Å; L72-F86 HydrophobicContact CD2-CE2 3.9Å; L72-F86 HydrophobicContact CD2-CZ 3.47Å; L72-F86 VanDerWaalsContact CD2-CZ 3.47Å; L72-M98 HydrophobicContact CD2-CE 4.06Å; L72-M98 HydrophobicContact CD2-CG 3.54Å; L72-M98 HydrophobicContact CD2-SD 3.97Å; L72-M98 HydrophobicContact CG-CG 4.35Å; L72-M98 HydrophobicContact CG-SD 4.26Å; L72-F361 HydrophobicContact CD1-CD2 4.11Å; L72-F361 HydrophobicContact CD1-CE2 3.49Å; L72-F361 VanDerWaalsContact CD1-CE2 3.49Å; L72-F361 HydrophobicContact CD1-CZ 3.9Å |
| 73 | Q | 93.4 | Very high | 94.1 | Very high | 98 Ų | 98 | 46.8 Ų | 46.8 | 46% | 0.458 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.6 | -37.3 | -179.5 | -175.6 | -172.9 | -15.4 | 0 | 0 | 112.6 | L69 K70 E71 Q76 N77 | L69-Q73 WeakPolarHBondContact O-CB 3.23Å; L69-Q73 PolarHBondContact O-N 2.86Å; K70-Q73 PolarHBondContact O-N 2.85Å; E71-Q73 VanDerWaalsContact C-N 3.33Å; E71-Q73 PolarHBondContact O-N 3.1Å; Q73-Q76 VanDerWaalsContact O-CG 3.28Å; Q73-Q76 WeakPolarHBondContact O-CG 3.35Å; Q73-N77 PolarHBondContact O-ND2 3.02Å |
| 74 | I | 95.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.6 | -55.3 | 175.2 | -73 | 172 | 0 | 0 | 0 | 109.2 | K70 E71 L72 Q76 N77 L78 I142 F165 A168 I170 | K70-I74 HydrophobicContact CG-CD1 4.19Å; K70-I74 WeakPolarHBondContact O-CG1 3.45Å; K70-I74 PolarHBondContact O-N 3.06Å; E71-I74 PolarHBondContact O-N 2.97Å; L72-I74 VanDerWaalsContact C-N 3.3Å; L72-I74 PolarHBondContact O-N 2.79Å; I74-Q76 PolarHBondContact O-N 3.31Å; I74-N77 PolarHBondContact O-N 3.2Å; I74-N77 VanDerWaalsContact O-N 3.09Å; I74-L78 HydrophobicContact CG2-CD1 3.8Å; I74-L78 HydrophobicContact CG2-CG 4.44Å; I74-L78 WeakPolarHBondContact O-CG 3.38Å; I74-I142 HydrophobicContact CG2-CD1 3.81Å; I74-I142 HydrophobicContact CG2-CG1 4.37Å; I74-I142 HydrophobicContact CG2-CG2 4.45Å; I74-F165 HydrophobicContact CG2-CB 4.48Å; I74-F165 HydrophobicContact CG2-CD1 4.03Å; I74-F165 HydrophobicContact CG2-CG 4.47Å; I74-A168 HydrophobicContact CD1-CB 3.84Å; I74-I170 HydrophobicContact CD1-CG1 4.27Å; I74-I170 HydrophobicContact CG1-CD1 4.08Å; I74-I170 HydrophobicContact CG1-CG1 4.09Å |
| 75 | M | 95.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -32.1 | -170.1 | -68.9 | -173 | 84.2 | 0 | 0 | 114.3 | E71 L72 N77 L78 F86 M98 V100 F165 | E71-M75 HydrophobicContact CG-CG 4.35Å; E71-M75 HydrophobicContact CG-SD 3.9Å; E71-M75 WeakPolarHBondContact O-CB 3.22Å; E71-M75 WeakPolarHBondContact O-CG 3.42Å; E71-M75 PolarHBondContact O-N 2.79Å; L72-M75 PolarHBondContact O-N 2.64Å; M75-N77 PolarHBondContact O-N 3.26Å; M75-L78 PolarHBondContact O-N 2.87Å; M75-F86 HydrophobicContact CB-CB 3.81Å; M75-F86 HydrophobicContact CB-CD1 4.19Å; M75-F86 HydrophobicContact CB-CG 4.02Å; M75-F86 HydrophobicContact CE-CB 4.09Å; M75-M98 HydrophobicContact SD-CE 3.4Å; M75-M98 WeakPolarHBondContact SD-CE 3.29Å; M75-V100 HydrophobicContact CE-CG1 4.01Å; M75-F165 HydrophobicContact CE-CD2 4.31Å; M75-F165 HydrophobicContact CG-CB 4.13Å; M75-F165 HydrophobicContact CG-CD2 4.21Å; M75-F165 HydrophobicContact CG-CG 4.32Å |
| 76 | Q | 94.7 | Very high | 95 | Very high | 47 Ų | 47 | 39.5 Ų | 39.5 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.2 | 175.9 | 66.1 | 177.4 | -24.9 | 0 | 0 | 113.2 | L72 Q73 I74 F86 F364 | L72-Q76 WeakPolarHBondContact O-CG 3.42Å; L72-Q76 PolarHBondContact O-N 2.81Å; Q73-Q76 VanDerWaalsContact O-CG 3.28Å; Q73-Q76 WeakPolarHBondContact O-CG 3.35Å; I74-Q76 PolarHBondContact O-N 3.31Å; Q76-F86 HydrophobicContact CB-CD1 4.33Å; Q76-F86 HydrophobicContact CB-CE1 4.34Å; Q76-F364 HydrophobicContact CB-CD1 4.49Å; Q76-F364 HydrophobicContact CB-CD2 3.77Å; Q76-F364 HydrophobicContact CB-CE1 4.43Å; Q76-F364 HydrophobicContact CB-CE2 3.75Å; Q76-F364 HydrophobicContact CB-CG 4.15Å; Q76-F364 HydrophobicContact CB-CZ 4.08Å |
| 77 | N | 94 | Very high | 95.4 | Very high | 102 Ų | 102 | 31 Ų | 31 | 55% | 0.545 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 4.3 | -177.9 | -67.4 | -63.8 | 0 | 0 | 0 | 113.1 | Q73 I74 M75 Y136 | Q73-N77 PolarHBondContact O-ND2 3.02Å; I74-N77 PolarHBondContact O-N 3.2Å; I74-N77 VanDerWaalsContact O-N 3.09Å; M75-N77 PolarHBondContact O-N 3.26Å; N77-Y136 PolarHBondContact O-OH 3.19Å |
| 78 | L | 97.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | trans | -108.4 | 137.3 | 179.5 | -58.1 | -179.6 | 0 | 0 | 0 | 110.9 | I74 M75 L83 Y136 L137 K140 I142 F165 R366 | I74-L78 HydrophobicContact CG2-CD1 3.8Å; I74-L78 HydrophobicContact CG2-CG 4.44Å; I74-L78 WeakPolarHBondContact O-CG 3.38Å; M75-L78 PolarHBondContact O-N 2.87Å; L78-L83 HydrophobicContact CB-CD1 4.21Å; L78-L83 HydrophobicContact CD1-CD1 4.32Å; L78-Y136 HydrophobicContact CB-CE1 4.27Å; L78-Y136 HydrophobicContact CD2-CE1 3.82Å; L78-L137 HydrophobicContact CD1-CD2 3.75Å; L78-L137 HydrophobicContact CD2-CD2 4.03Å; L78-K140 HydrophobicContact CD2-CB 4.03Å; L78-K140 HydrophobicContact CD2-CG 3.94Å; L78-I142 HydrophobicContact CD1-CD1 4.11Å; L78-I142 HydrophobicContact CD2-CD1 3.39Å; L78-I142 HydrophobicContact CG-CD1 4.08Å; L78-F165 HydrophobicContact CD1-CD1 4.08Å; L78-F165 HydrophobicContact CD1-CE1 3.61Å; L78-F165 HydrophobicContact CD1-CE2 4.39Å; L78-F165 HydrophobicContact CD1-CZ 3.79Å; L78-R366 PolarHBondContact O-NH1 3.22Å; L78-R366 PolarHBondContact O-NH2 3.14Å | ||
| 79 | E | 97.5 | Very high | 95.9 | Very high | 82 Ų | 82 | 27.6 Ų | 27.6 | 38% | 0.383 | 14% | 0.137 | S | C | . | . | trans | -153.8 | 116.8 | 169.6 | -167.2 | 165.9 | 164.2 | 0 | 0 | 108.9 | N85 Y136 R366 R370 | E79-N85 VanDerWaalsContact CA-OD1 3.3Å; E79-N85 WeakPolarHBondContact CA-OD1 3.3Å; E79-Y136 PolarHBondContact N-OH 2.73Å; E79-Y136 VanDerWaalsContact N-OH 3.12Å; E79-R366 IonicContact OE2-CZ 3.05Å; E79-R366 IonicContact OE2-NH1 3.11Å; E79-R366 PolarHBondContact OE2-NH1 2.93Å; E79-R370 IonicContact OE1-CZ 3.06Å; E79-R370 IonicContact OE1-NE 3.25Å; E79-R370 IonicContact OE1-NH2 2.56Å; E79-R370 PolarHBondContact OE1-NH2 3.11Å | ||
| 80 | H | 98.6 | Very high | 96.1 | Very high | 21 Ų | 21 | 26.5 Ų | 26.5 | 10% | 0.097 | 13% | 0.131 | C | C | . | . | trans | -158.7 | 145.6 | -178.4 | -172.1 | -98.7 | 0 | 0 | 0 | 111.3 | F82 L83 N85 A133 Y136 | H80-F82 AromaticContact CE1-CD2 3.72Å; H80-F82 PolarHBondContact ND1-N 2.69Å; H80-F82 PolarHBondContact O-N 2.76Å; H80-F82 VanDerWaalsContact O-N 3.11Å; H80-L83 HydrophobicContact CB-CB 4.19Å; H80-L83 HydrophobicContact CB-CD1 3.82Å; H80-L83 HydrophobicContact CB-CG 3.8Å; H80-L83 PolarHBondContact O-N 3.31Å; H80-L83 VanDerWaalsContact O-N 3.11Å; H80-N85 PolarHBondContact N-OD1 3.37Å; H80-N85 PolarHBondContact O-ND2 3.17Å; H80-N85 PolarHBondContact O-OD1 3.31Å; H80-A133 PolarHBondContact CE1-N 3.19Å; H80-Y136 HydrophobicContact CB-CD1 3.72Å; H80-Y136 HydrophobicContact CB-CE1 3.98Å; H80-Y136 HydrophobicContact CB-CG 4.13Å; H80-Y136 AromaticContact CD2-CG 3.67Å | ||
| 81 | P | 98.3 | Very high | 96.2 | Very high | 53 Ų | 53 | 24.6 Ų | 24.6 | 34% | 0.344 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.9 | -177.2 | -27.3 | 36.1 | 0 | 0 | 0 | 115.5 | H161 L292 K294 | P81-H161 PolarHBondContact O-CD2 2.96Å; P81-H161 PolarHBondContact O-NE2 2.86Å; P81-H161 VanDerWaalsContact O-NE2 3.11Å; P81-L292 HydrophobicContact CG-CD1 4.07Å; P81-K294 VanDerWaalsContact O-CE 3.22Å; P81-K294 WeakPolarHBondContact O-CE 3.48Å; P81-K294 PolarHBondContact O-NZ 3.43Å |
| 82 | F | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 20.2 | -178.5 | -57.3 | -57.6 | 0 | 0 | 0 | 113.3 | H80 E129 L132 A133 H159 V160 H161 L162 V291 K294 | H80-F82 AromaticContact CE1-CD2 3.72Å; H80-F82 PolarHBondContact ND1-N 2.69Å; H80-F82 PolarHBondContact O-N 2.76Å; H80-F82 VanDerWaalsContact O-N 3.11Å; F82-E129 HydrophobicContact CD1-CB 3.78Å; F82-E129 HydrophobicContact CD1-CG 4.07Å; F82-E129 HydrophobicContact CD2-CB 4.1Å; F82-E129 VanDerWaalsContact CD2-O 3.26Å; F82-E129 WeakPolarHBondContact CD2-O 3.34Å; F82-E129 HydrophobicContact CE1-CB 3.76Å; F82-E129 VanDerWaalsContact CE1-CD 3.49Å; F82-E129 HydrophobicContact CE1-CG 3.5Å; F82-E129 HydrophobicContact CE2-CB 4.11Å; F82-E129 HydrophobicContact CE2-CG 4.1Å; F82-E129 HydrophobicContact CG-CB 3.95Å; F82-E129 HydrophobicContact CZ-CB 3.92Å; F82-E129 HydrophobicContact CZ-CG 3.52Å; F82-L132 HydrophobicContact CD2-CB 4.09Å; F82-L132 HydrophobicContact CD2-CD1 4.25Å; F82-L132 HydrophobicContact CE2-CB 4.4Å; F82-L132 HydrophobicContact CE2-CD1 3.71Å; F82-A133 HydrophobicContact CB-CB 4.07Å; F82-H159 HydrophobicContact CE1-CB 4.35Å; F82-V160 WeakPolarHBondContact CD1-O 3.49Å; F82-H161 WeakPolarHBondContact O-CA 3.43Å; F82-L162 PolarHBondContact O-N 3Å; F82-V291 HydrophobicContact CE2-CG1 4.16Å; F82-V291 HydrophobicContact CZ-CG1 4.12Å; F82-V291 WeakPolarHBondContact CZ-O 3.49Å; F82-K294 HydrophobicContact CE1-CD 4.35Å; F82-K294 HydrophobicContact CE1-CG 3.78Å; F82-K294 HydrophobicContact CZ-CG 3.97Å |
| 83 | L | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -114.2 | 150.2 | 167.1 | -64.9 | -176.6 | 0 | 0 | 0 | 109.2 | L78 H80 N85 A133 Y136 L137 L162 F165 | L78-L83 HydrophobicContact CB-CD1 4.21Å; L78-L83 HydrophobicContact CD1-CD1 4.32Å; H80-L83 HydrophobicContact CB-CB 4.19Å; H80-L83 HydrophobicContact CB-CD1 3.82Å; H80-L83 HydrophobicContact CB-CG 3.8Å; H80-L83 PolarHBondContact O-N 3.31Å; H80-L83 VanDerWaalsContact O-N 3.11Å; L83-N85 PolarHBondContact O-N 3.04Å; L83-N85 PolarHBondContact O-ND2 2.68Å; L83-N85 VanDerWaalsContact O-ND2 3.09Å; L83-A133 HydrophobicContact CD2-CB 3.94Å; L83-A133 HydrophobicContact CG-CB 4.47Å; L83-Y136 HydrophobicContact CD1-CD1 3.87Å; L83-Y136 HydrophobicContact CD1-CE1 3.93Å; L83-L137 HydrophobicContact CD1-CD2 3.96Å; L83-L162 HydrophobicContact CD2-CB 3.81Å; L83-L162 HydrophobicContact CD2-CD2 4.33Å; L83-L162 HydrophobicContact CD2-CG 4.46Å; L83-F165 HydrophobicContact CD1-CZ 4.27Å; L83-F165 HydrophobicContact CD2-CE2 4.47Å; L83-F165 HydrophobicContact CD2-CZ 3.91Å |
| 84 | V | 98.1 | Very high | 95.7 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | trans | -72.4 | 105.1 | 164.2 | 171.6 | 0 | 0 | 0 | 0 | 108.1 | V100 D101 L103 L153 H161 L162 | V84-V100 HydrophobicContact CG1-CB 3.71Å; V84-V100 HydrophobicContact CG1-CG1 4.44Å; V84-V100 HydrophobicContact CG1-CG2 3.75Å; V84-D101 HydrophobicContact CG1-CB 4.29Å; V84-L103 HydrophobicContact CG2-CD1 3.59Å; V84-L103 HydrophobicContact CG2-CG 4.36Å; V84-L153 HydrophobicContact CG2-CD1 4.08Å; V84-H161 HydrophobicContact CG2-CB 4.02Å; V84-L162 PolarHBondContact N-O 3.41Å | ||
| 85 | N | 97.6 | Very high | 95.6 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 12% | 0.118 | 17% | 0.168 | C | C | . | . | trans | -79.6 | 143.2 | -172.7 | -56.1 | -76.3 | 0 | 0 | 0 | 111.3 | E79 H80 L83 V100 D101 | E79-N85 VanDerWaalsContact CA-OD1 3.3Å; E79-N85 WeakPolarHBondContact CA-OD1 3.3Å; H80-N85 PolarHBondContact N-OD1 3.37Å; H80-N85 PolarHBondContact O-ND2 3.17Å; H80-N85 PolarHBondContact O-OD1 3.31Å; L83-N85 PolarHBondContact O-N 3.04Å; L83-N85 PolarHBondContact O-ND2 2.68Å; L83-N85 VanDerWaalsContact O-ND2 3.09Å; N85-V100 CarbonylContact O-C 3.38Å; N85-V100 VanDerWaalsContact O-CA 3.23Å; N85-V100 WeakPolarHBondContact O-CA 3.44Å; N85-V100 WeakPolarHBondContact O-CB 3.19Å; N85-D101 WeakPolarHBondContact CA-OD2 3.25Å; N85-D101 WeakPolarHBondContact CB-OD2 3.22Å; N85-D101 PolarHBondContact N-OD2 3.03Å; N85-D101 PolarHBondContact ND2-OD2 2.82Å; N85-D101 PolarHBondContact O-N 2.91Å | ||
| 86 | F | 97.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.8 | -178.1 | 174.2 | -115.1 | 0 | 0 | 0 | 111.6 | L72 M75 Q76 Y88 M98 V100 F364 R366 | L72-F86 HydrophobicContact CD2-CE1 4.21Å; L72-F86 HydrophobicContact CD2-CE2 3.9Å; L72-F86 HydrophobicContact CD2-CZ 3.47Å; L72-F86 VanDerWaalsContact CD2-CZ 3.47Å; M75-F86 HydrophobicContact CB-CB 3.81Å; M75-F86 HydrophobicContact CB-CD1 4.19Å; M75-F86 HydrophobicContact CB-CG 4.02Å; M75-F86 HydrophobicContact CE-CB 4.09Å; Q76-F86 HydrophobicContact CB-CD1 4.33Å; Q76-F86 HydrophobicContact CB-CE1 4.34Å; F86-Y88 WeakPolarHBondContact CE2-O 3.44Å; F86-Y88 WeakPolarHBondContact CZ-O 3.46Å; F86-M98 HydrophobicContact CD2-CE 4.43Å; F86-M98 HydrophobicContact CE2-CB 4.04Å; F86-M98 HydrophobicContact CE2-CE 4.34Å; F86-M98 HydrophobicContact CE2-CG 4.07Å; F86-V100 HydrophobicContact CB-CG1 4.4Å; F86-V100 HydrophobicContact CD2-CG1 3.93Å; F86-F364 AromaticContact CD1-CD1 3.47Å; F86-F364 HydrophobicContact CD1-CD1 3.47Å; F86-F364 VanDerWaalsContact CD1-CD1 3.47Å; F86-F364 AromaticContact CD1-CE1 3.64Å; F86-F364 HydrophobicContact CD1-CE1 3.64Å; F86-F364 HydrophobicContact CD1-CG 4.31Å; F86-F364 HydrophobicContact CE1-CB 3.82Å; F86-F364 AromaticContact CE1-CD1 3.16Å; F86-F364 HydrophobicContact CE1-CD1 3.16Å; F86-F364 AromaticContact CE1-CE1 3.85Å; F86-F364 HydrophobicContact CE1-CE1 3.85Å; F86-F364 AromaticContact CE1-CG 3.68Å; F86-F364 HydrophobicContact CE1-CG 3.68Å; F86-F364 HydrophobicContact CZ-CB 4.29Å; F86-F364 HydrophobicContact CZ-CD1 4.04Å; F86-R366 PolarHBondContact O-NE 3.19Å; F86-R366 PolarHBondContact O-NH2 3.2Å |
| 87 | W | 97.1 | Very high | 95.5 | Very high | 18 Ų | 18 | 31 Ų | 31 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -44 | -172.6 | -72.6 | 84.8 | 0 | 0 | 0 | 113.7 | K47 Y49 V99 D101 R366 E367 | K47-W87 VanDerWaalsContact NZ-CH2 3.35Å; K47-W87 VanDerWaalsContact NZ-CZ2 3.28Å; Y49-W87 HydrophobicContact CD1-CB 4.47Å; Y49-W87 AromaticContact CD1-CD1 3.98Å; Y49-W87 HydrophobicContact CD1-CG 4.15Å; Y49-W87 HydrophobicContact CE1-CB 4.06Å; Y49-W87 AromaticContact CE1-CD1 3.73Å; Y49-W87 AromaticContact CE1-CD2 3.81Å; Y49-W87 HydrophobicContact CE1-CD2 3.81Å; Y49-W87 HydrophobicContact CE1-CE3 4.44Å; Y49-W87 AromaticContact CE1-CG 3.59Å; Y49-W87 HydrophobicContact CE1-CG 3.59Å; W87-V99 PolarHBondContact N-O 2.86Å; W87-D101 PolarHBondContact NE1-OD1 3.34Å; W87-R366 HydrophobicContact CE3-CB 4.16Å; W87-R366 PolarHBondContact O-N 2.9Å; W87-E367 HydrophobicContact CE3-CG 4.39Å; W87-E367 HydrophobicContact CZ3-CG 4.35Å |
| 88 | Y | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 143.2 | -174.5 | -42.6 | -86 | 0 | 0 | 0 | 111.9 | V18 F23 Y49 F86 V99 F364 N365 E367 | V18-Y88 HydrophobicContact CB-CD1 4.23Å; V18-Y88 HydrophobicContact CG1-CD1 3.96Å; V18-Y88 HydrophobicContact CG1-CE1 4.4Å; V18-Y88 HydrophobicContact CG1-CG 4.24Å; V18-Y88 HydrophobicContact CG2-CD1 4.28Å; V18-Y88 HydrophobicContact CG2-CE1 4.24Å; F23-Y88 HydrophobicContact CE1-CD2 4.4Å; F23-Y88 HydrophobicContact CE1-CE2 4.37Å; F23-Y88 AromaticContact CZ-CD2 3.79Å; F23-Y88 HydrophobicContact CZ-CD2 3.79Å; F23-Y88 HydrophobicContact CZ-CE2 4.01Å; F23-Y88 HydrophobicContact CZ-CG 4.32Å; Y49-Y88 HydrophobicContact CE1-CE2 4.07Å; Y49-Y88 HydrophobicContact CE2-CE2 4.21Å; Y49-Y88 AromaticContact CZ-CE2 3.81Å; Y49-Y88 PolarHBondContact OH-OH 2.85Å; F86-Y88 WeakPolarHBondContact CE2-O 3.44Å; F86-Y88 WeakPolarHBondContact CZ-O 3.46Å; Y88-V99 HydrophobicContact CD2-CB 3.78Å; Y88-V99 HydrophobicContact CD2-CG1 3.71Å; Y88-V99 HydrophobicContact CD2-CG2 4.38Å; Y88-V99 HydrophobicContact CE2-CG1 4.35Å; Y88-V99 HydrophobicContact CG-CB 4.41Å; Y88-V99 PolarHBondContact N-O 2.77Å; Y88-V99 PolarHBondContact O-N 3.03Å; Y88-F364 CarbonylContact C-O 3.58Å; Y88-F364 VanDerWaalsContact CA-O 3.24Å; Y88-F364 WeakPolarHBondContact CA-O 3.16Å; Y88-N365 HydrophobicContact CD1-CB 4.25Å; Y88-N365 WeakPolarHBondContact CE1-OD1 3.28Å; Y88-E367 HydrophobicContact CE1-CG 4.18Å; Y88-E367 PolarHBondContact OH-OE1 3Å; Y88-E367 PolarHBondContact OH-OE2 2.88Å |
| 89 | S | 96.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 141.7 | 157.7 | 42.5 | 0 | 0 | 0 | 0 | 111 | F97 I362 V363 F364 | S89-F97 VanDerWaalsContact CA-O 3.3Å; S89-F97 WeakPolarHBondContact CA-O 3.48Å; S89-I362 PolarHBondContact OG-O 3.32Å; S89-V363 WeakPolarHBondContact O-CA 3.41Å; S89-V363 WeakPolarHBondContact O-CG1 3.46Å; S89-F364 PolarHBondContact N-O 3.43Å; S89-F364 PolarHBondContact O-N 3.12Å; S89-F364 VanDerWaalsContact OG-CB 3.23Å; S89-F364 WeakPolarHBondContact OG-CB 3.47Å; S89-F364 PolarHBondContact OG-N 2.88Å |
| 90 | F | 95.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 173.8 | 171 | 48.5 | -93.6 | 0 | 0 | 0 | 108.2 | V18 F20 F23 M51 F97 V99 F361 | V18-F90 HydrophobicContact CG1-CD1 4.38Å; V18-F90 HydrophobicContact CG1-CE1 4.3Å; V18-F90 WeakPolarHBondContact O-CD1 3.3Å; F20-F90 VanDerWaalsContact CA-CE2 3.43Å; F20-F90 HydrophobicContact CB-CD2 4.38Å; F20-F90 HydrophobicContact CB-CE2 3.78Å; F20-F90 HydrophobicContact CD2-CE2 4.28Å; F20-F90 VanDerWaalsContact N-CE2 3.26Å; F23-F90 HydrophobicContact CD2-CE1 4.1Å; F23-F90 AromaticContact CD2-CZ 3.84Å; F23-F90 HydrophobicContact CD2-CZ 3.84Å; F23-F90 AromaticContact CE2-CE1 3.53Å; F23-F90 HydrophobicContact CE2-CE1 3.53Å; F23-F90 AromaticContact CE2-CZ 3.77Å; F23-F90 HydrophobicContact CE2-CZ 3.77Å; F23-F90 HydrophobicContact CZ-CE1 4.33Å; M51-F90 HydrophobicContact CE-CE2 4.5Å; M51-F90 HydrophobicContact CE-CZ 3.69Å; M51-F90 HydrophobicContact SD-CZ 4.49Å; F90-F97 HydrophobicContact CD2-CB 3.7Å; F90-F97 AromaticContact CD2-CD2 3.49Å; F90-F97 HydrophobicContact CD2-CD2 3.49Å; F90-F97 VanDerWaalsContact CD2-CD2 3.49Å; F90-F97 HydrophobicContact CD2-CE2 4.36Å; F90-F97 AromaticContact CD2-CG 3.79Å; F90-F97 HydrophobicContact CD2-CG 3.79Å; F90-F97 HydrophobicContact CE1-CB 4.46Å; F90-F97 HydrophobicContact CE2-CB 3.41Å; F90-F97 VanDerWaalsContact CE2-CB 3.41Å; F90-F97 HydrophobicContact CE2-CD1 4.12Å; F90-F97 AromaticContact CE2-CD2 3.52Å; F90-F97 HydrophobicContact CE2-CD2 3.52Å; F90-F97 HydrophobicContact CE2-CE2 4.32Å; F90-F97 AromaticContact CE2-CG 3.4Å; F90-F97 HydrophobicContact CE2-CG 3.4Å; F90-F97 VanDerWaalsContact CE2-CG 3.4Å; F90-F97 HydrophobicContact CG-CB 4.35Å; F90-F97 HydrophobicContact CZ-CB 3.84Å; F90-F97 HydrophobicContact CZ-CG 4.22Å; F90-F97 PolarHBondContact N-O 2.7Å; F90-F97 WeakPolarHBondContact O-CB 3.48Å; F90-F97 PolarHBondContact O-N 3.46Å; F90-V99 HydrophobicContact CE1-CG2 3.85Å; F90-V99 HydrophobicContact CZ-CG2 4.14Å; F90-F361 VanDerWaalsContact C-CE1 3.45Å; F90-F361 WeakPolarHBondContact O-CE1 3.18Å; F90-F361 VanDerWaalsContact O-CZ 3.32Å; F90-F361 WeakPolarHBondContact O-CZ 3.21Å |
| 91 | Q | 93.9 | Very high | 95.5 | Very high | 32 Ų | 32 | 23.6 Ų | 23.6 | 15% | 0.15 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 156.7 | -180 | 58.6 | 176.9 | -21.9 | 0 | 0 | 109.6 | D95 M96 Q358 F361 | Q91-D95 WeakPolarHBondContact CA-O 3.3Å; Q91-M96 HydrophobicContact CB-CG 4.39Å; Q91-Q358 PolarHBondContact NE2-O 3.09Å; Q91-Q358 VanDerWaalsContact OE1-OE1 3.11Å; Q91-F361 HydrophobicContact CB-CD1 4.12Å; Q91-F361 HydrophobicContact CB-CE1 4.15Å; Q91-F361 HydrophobicContact CB-CG 4.34Å; Q91-F361 HydrophobicContact CB-CZ 4.4Å; Q91-F361 VanDerWaalsContact CD-CB 3.5Å; Q91-F361 HydrophobicContact CG-CB 4.49Å; Q91-F361 HydrophobicContact CG-CD1 3.85Å; Q91-F361 HydrophobicContact CG-CE1 4.3Å; Q91-F361 HydrophobicContact CG-CG 4.16Å; Q91-F361 VanDerWaalsContact NE2-CB 3.27Å |
| 92 | D | 91.5 | Very high | 95.4 | Very high | 61 Ų | 61 | 22.3 Ų | 22.3 | 33% | 0.326 | 11% | 0.11 | S | C | . | . | trans | -122.3 | -164.1 | 166.5 | 70.1 | 17.5 | 0 | 0 | 0 | 110.3 | K56 E94 D95 F97 | K56-D92 VanDerWaalsContact CE-O 3.25Å; K56-D92 WeakPolarHBondContact CE-O 3.4Å; K56-D92 PolarHBondContact NZ-O 2.89Å; D92-E94 VanDerWaalsContact C-N 3.3Å; D92-E94 PolarHBondContact O-N 3.25Å; D92-E94 PolarHBondContact OD1-N 3.49Å; D92-D95 PolarHBondContact N-O 2.83Å; D92-D95 PolarHBondContact OD1-N 3.44Å; D92-F97 HydrophobicContact CB-CE2 4.2Å | ||
| 93 | E | 88.1 | Confident | 95.1 | Very high | 155 Ų | 155 | 23.5 Ų | 23.5 | 72% | 0.724 | 12% | 0.117 | S | C | * | . | S | Bend | trans | -63 | -32.4 | -180 | -64.3 | 171.7 | -177.9 | 0 | 0 | 113.3 | ||
| 94 | E | 89.4 | Confident | 94.7 | Very high | 57 Ų | 57 | 27.3 Ų | 27.3 | 27% | 0.266 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -103.9 | -36.5 | -171.7 | -64.3 | -170 | 167.5 | 0 | 0 | 112.8 | N55 K56 D92 K328 L332 | N55-E94 PolarHBondContact ND2-O 2.81Å; K56-E94 WeakPolarHBondContact CB-O 3.23Å; K56-E94 WeakPolarHBondContact CG-O 3.42Å; K56-E94 PolarHBondContact N-O 3.25Å; D92-E94 VanDerWaalsContact C-N 3.3Å; D92-E94 PolarHBondContact O-N 3.25Å; D92-E94 PolarHBondContact OD1-N 3.49Å; E94-K328 IonicContact OE2-NZ 2.68Å; E94-K328 PolarHBondContact OE2-NZ 3.26Å; E94-L332 WeakPolarHBondContact OE1-CD1 3.35Å; E94-L332 WeakPolarHBondContact OE1-CD2 3.41Å |
| 95 | D | 92.4 | Very high | 94.5 | Very high | 24 Ų | 24 | 27.2 Ų | 27.2 | 13% | 0.128 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 151.8 | -162.8 | -62.1 | -52.7 | 0 | 0 | 0 | 112.6 | M54 N55 Q91 D92 F97 | M54-D95 WeakPolarHBondContact O-CA 3.08Å; N55-D95 WeakPolarHBondContact CA-OD1 3.49Å; N55-D95 WeakPolarHBondContact CB-OD1 3.47Å; N55-D95 PolarHBondContact ND2-OD1 2.77Å; N55-D95 VanDerWaalsContact ND2-OD1 3.14Å; Q91-D95 WeakPolarHBondContact CA-O 3.3Å; D92-D95 PolarHBondContact N-O 2.83Å; D92-D95 PolarHBondContact OD1-N 3.44Å; D95-F97 HydrophobicContact CB-CE1 4.17Å; D95-F97 HydrophobicContact CB-CE2 3.91Å; D95-F97 HydrophobicContact CB-CZ 3.62Å; D95-F97 WeakPolarHBondContact O-CE2 3.32Å |
| 96 | M | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.7 | 166 | -67.8 | 175.2 | -66.1 | 0 | 0 | 109 | Y53 M54 K56 C59 V68 Q91 V357 F361 | Y53-M96 CarbonylContact C-O 3.6Å; Y53-M96 WeakPolarHBondContact CA-O 3.49Å; M54-M96 HydrophobicContact CB-CB 4.48Å; M54-M96 HydrophobicContact CB-CE 4.36Å; M54-M96 HydrophobicContact CE-CB 4.19Å; M54-M96 PolarHBondContact N-O 3.31Å; M54-M96 PolarHBondContact O-N 3.16Å; K56-M96 HydrophobicContact CG-CG 3.94Å; C59-M96 HydrophobicContact CB-CE 4.11Å; V68-M96 HydrophobicContact CB-CE 4.49Å; V68-M96 HydrophobicContact CG1-CE 4.03Å; V68-M96 HydrophobicContact CG1-SD 4.21Å; Q91-M96 HydrophobicContact CB-CG 4.39Å; M96-V357 HydrophobicContact CE-CG1 4.47Å; M96-V357 HydrophobicContact CG-CG1 4.31Å; M96-V357 HydrophobicContact SD-CG1 3.57Å; M96-V357 VanDerWaalsContact SD-CG1 3.57Å; M96-F361 HydrophobicContact CB-CD2 4.33Å; M96-F361 HydrophobicContact CB-CE2 3.62Å; M96-F361 HydrophobicContact CB-CZ 4.24Å; M96-F361 HydrophobicContact CG-CD2 3.73Å; M96-F361 HydrophobicContact CG-CE2 3.54Å; M96-F361 HydrophobicContact CG-CZ 4.45Å; M96-F361 HydrophobicContact SD-CD2 3.67Å; M96-F361 HydrophobicContact SD-CE2 3.77Å |
| 97 | F | 94.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.7 | -175 | -55.8 | -89.8 | 0 | 0 | 0 | 111.5 | F20 M51 K52 S89 F90 D92 D95 | F20-F97 AromaticContact CD2-CD1 3.9Å; F20-F97 HydrophobicContact CD2-CD1 3.9Å; F20-F97 AromaticContact CD2-CE1 3.41Å; F20-F97 HydrophobicContact CD2-CE1 3.41Å; F20-F97 VanDerWaalsContact CD2-CE1 3.41Å; F20-F97 HydrophobicContact CD2-CE2 4.35Å; F20-F97 AromaticContact CD2-CZ 3.66Å; F20-F97 HydrophobicContact CD2-CZ 3.66Å; F20-F97 HydrophobicContact CE2-CD1 4.27Å; F20-F97 AromaticContact CE2-CE1 3.6Å; F20-F97 HydrophobicContact CE2-CE1 3.6Å; F20-F97 HydrophobicContact CE2-CZ 4.12Å; F20-F97 HydrophobicContact CG-CE1 4.46Å; F20-F97 HydrophobicContact CG-CZ 4.32Å; M51-F97 HydrophobicContact CG-CD1 4.28Å; M51-F97 HydrophobicContact SD-CD1 3.7Å; M51-F97 HydrophobicContact SD-CE1 4.39Å; M51-F97 HydrophobicContact SD-CG 4.5Å; K52-F97 WeakPolarHBondContact O-CA 3.37Å; S89-F97 VanDerWaalsContact CA-O 3.3Å; S89-F97 WeakPolarHBondContact CA-O 3.48Å; F90-F97 HydrophobicContact CD2-CB 3.7Å; F90-F97 AromaticContact CD2-CD2 3.49Å; F90-F97 HydrophobicContact CD2-CD2 3.49Å; F90-F97 VanDerWaalsContact CD2-CD2 3.49Å; F90-F97 HydrophobicContact CD2-CE2 4.36Å; F90-F97 AromaticContact CD2-CG 3.79Å; F90-F97 HydrophobicContact CD2-CG 3.79Å; F90-F97 HydrophobicContact CE1-CB 4.46Å; F90-F97 HydrophobicContact CE2-CB 3.41Å; F90-F97 VanDerWaalsContact CE2-CB 3.41Å; F90-F97 HydrophobicContact CE2-CD1 4.12Å; F90-F97 AromaticContact CE2-CD2 3.52Å; F90-F97 HydrophobicContact CE2-CD2 3.52Å; F90-F97 HydrophobicContact CE2-CE2 4.32Å; F90-F97 AromaticContact CE2-CG 3.4Å; F90-F97 HydrophobicContact CE2-CG 3.4Å; F90-F97 VanDerWaalsContact CE2-CG 3.4Å; F90-F97 HydrophobicContact CG-CB 4.35Å; F90-F97 HydrophobicContact CZ-CB 3.84Å; F90-F97 HydrophobicContact CZ-CG 4.22Å; F90-F97 PolarHBondContact N-O 2.7Å; F90-F97 WeakPolarHBondContact O-CB 3.48Å; F90-F97 PolarHBondContact O-N 3.46Å; D92-F97 HydrophobicContact CB-CE2 4.2Å; D95-F97 HydrophobicContact CB-CE1 4.17Å; D95-F97 HydrophobicContact CB-CE2 3.91Å; D95-F97 HydrophobicContact CB-CZ 3.62Å; D95-F97 WeakPolarHBondContact O-CE2 3.32Å |
| 98 | M | 95.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.2 | 170.1 | -72.2 | 172.9 | 72.8 | 0 | 0 | 109 | M51 K52 M54 E71 L72 M75 F86 | M51-M98 CarbonylContact C-O 3.56Å; M51-M98 VanDerWaalsContact CA-O 3.29Å; M51-M98 WeakPolarHBondContact CA-O 3.35Å; K52-M98 HydrophobicContact CB-CB 4.31Å; K52-M98 HydrophobicContact CD-SD 4.39Å; K52-M98 PolarHBondContact N-O 3.15Å; K52-M98 PolarHBondContact O-N 2.93Å; M54-M98 HydrophobicContact CE-CB 4.35Å; M54-M98 HydrophobicContact CE-CG 3.63Å; M54-M98 HydrophobicContact CE-SD 3.5Å; M54-M98 VanDerWaalsContact CE-SD 3.5Å; M54-M98 HydrophobicContact SD-SD 4.2Å; E71-M98 HydrophobicContact CG-CE 4.03Å; L72-M98 HydrophobicContact CD2-CE 4.06Å; L72-M98 HydrophobicContact CD2-CG 3.54Å; L72-M98 HydrophobicContact CD2-SD 3.97Å; L72-M98 HydrophobicContact CG-CG 4.35Å; L72-M98 HydrophobicContact CG-SD 4.26Å; M75-M98 HydrophobicContact SD-CE 3.4Å; M75-M98 WeakPolarHBondContact SD-CE 3.29Å; F86-M98 HydrophobicContact CD2-CE 4.43Å; F86-M98 HydrophobicContact CE2-CB 4.04Å; F86-M98 HydrophobicContact CE2-CE 4.34Å; F86-M98 HydrophobicContact CE2-CG 4.07Å |
| 99 | V | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.8 | 178.3 | -174.3 | 0 | 0 | 0 | 0 | 109 | F23 Y49 A50 M51 W87 Y88 F90 | F23-V99 HydrophobicContact CE1-CG1 4.1Å; F23-V99 HydrophobicContact CE1-CG2 4.48Å; F23-V99 HydrophobicContact CE2-CG2 4.46Å; F23-V99 HydrophobicContact CZ-CG1 4.34Å; F23-V99 HydrophobicContact CZ-CG2 4.18Å; Y49-V99 VanDerWaalsContact CB-CG1 3.43Å; Y49-V99 HydrophobicContact CD1-CG1 3.91Å; Y49-V99 HydrophobicContact CD2-CG1 4.31Å; Y49-V99 HydrophobicContact CG-CG1 3.64Å; A50-V99 WeakPolarHBondContact O-CA 3.42Å; M51-V99 HydrophobicContact CB-CG2 4.4Å; M51-V99 HydrophobicContact CE-CG2 3.77Å; M51-V99 HydrophobicContact CG-CG2 4.1Å; W87-V99 PolarHBondContact N-O 2.86Å; Y88-V99 HydrophobicContact CD2-CB 3.78Å; Y88-V99 HydrophobicContact CD2-CG1 3.71Å; Y88-V99 HydrophobicContact CD2-CG2 4.38Å; Y88-V99 HydrophobicContact CE2-CG1 4.35Å; Y88-V99 HydrophobicContact CG-CB 4.41Å; Y88-V99 PolarHBondContact N-O 2.77Å; Y88-V99 PolarHBondContact O-N 3.03Å; F90-V99 HydrophobicContact CE1-CG2 3.85Å; F90-V99 HydrophobicContact CZ-CG2 4.14Å |
| 100 | V | 97.3 | Very high | 93.9 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 13% | 0.133 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 171.8 | -173.8 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | Y49 A50 M75 V84 N85 F86 L102 | Y49-V100 WeakPolarHBondContact CB-O 3.47Å; A50-V100 HydrophobicContact CB-CG2 3.95Å; A50-V100 PolarHBondContact N-O 2.87Å; A50-V100 PolarHBondContact O-N 3.07Å; M75-V100 HydrophobicContact CE-CG1 4.01Å; V84-V100 HydrophobicContact CG1-CB 3.71Å; V84-V100 HydrophobicContact CG1-CG1 4.44Å; V84-V100 HydrophobicContact CG1-CG2 3.75Å; N85-V100 CarbonylContact O-C 3.38Å; N85-V100 VanDerWaalsContact O-CA 3.23Å; N85-V100 WeakPolarHBondContact O-CA 3.44Å; N85-V100 WeakPolarHBondContact O-CB 3.19Å; F86-V100 HydrophobicContact CB-CG1 4.4Å; F86-V100 HydrophobicContact CD2-CG1 3.93Å; V100-L102 PolarHBondContact O-N 3.09Å |
| 101 | D | 97 | Very high | 93.9 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 16% | 0.16 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.7 | 137.4 | 171.2 | -70.7 | -31.2 | 0 | 0 | 0 | 111.8 | V84 N85 W87 | V84-D101 HydrophobicContact CG1-CB 4.29Å; N85-D101 WeakPolarHBondContact CA-OD2 3.25Å; N85-D101 WeakPolarHBondContact CB-OD2 3.22Å; N85-D101 PolarHBondContact N-OD2 3.03Å; N85-D101 PolarHBondContact ND2-OD2 2.82Å; N85-D101 PolarHBondContact O-N 2.91Å; W87-D101 PolarHBondContact NE1-OD1 3.34Å |
| 102 | L | 95.6 | Very high | 93.9 | Very high | 26 Ų | 26 | 30.6 Ų | 30.6 | 14% | 0.136 | 15% | 0.153 | C | C | . | . | trans | -91.4 | 117.7 | 171.5 | 177.4 | 60.1 | 0 | 0 | 0 | 109.8 | I29 I39 M48 A50 V100 L104 | I29-L102 HydrophobicContact CD1-CD1 4.1Å; I39-L102 HydrophobicContact CD1-CD1 4.35Å; I39-L102 HydrophobicContact CG1-CD1 3.81Å; I39-L102 HydrophobicContact CG1-CD2 4.29Å; I39-L102 HydrophobicContact CG2-CD2 3.86Å; M48-L102 HydrophobicContact CB-CD2 3.81Å; M48-L102 HydrophobicContact CE-CD2 4.29Å; A50-L102 HydrophobicContact CB-CD1 4.19Å; V100-L102 PolarHBondContact O-N 3.09Å; L102-L104 HydrophobicContact CD1-CD2 4.08Å; L102-L104 HydrophobicContact CD2-CD2 3.84Å; L102-L104 HydrophobicContact CD2-CG 4.42Å; L102-L104 HydrophobicContact CG-CD2 3.85Å; L102-L104 HydrophobicContact CG-CG 4.23Å | ||
| 103 | L | 94.4 | Very high | 94 | Very high | 26 Ų | 26 | 33.4 Ų | 33.4 | 14% | 0.136 | 16% | 0.164 | C | C | . | . | trans | -111.7 | 112.4 | 175.4 | -59.7 | -172.2 | 0 | 0 | 0 | 110.4 | V84 L153 L154 D155 H161 | V84-L103 HydrophobicContact CG2-CD1 3.59Å; V84-L103 HydrophobicContact CG2-CG 4.36Å; L103-L153 HydrophobicContact CB-CB 4.08Å; L103-L153 HydrophobicContact CB-CD1 4.25Å; L103-L153 HydrophobicContact CD1-CB 3.62Å; L103-L153 HydrophobicContact CD1-CD1 4.24Å; L103-L153 HydrophobicContact CG-CB 4.48Å; L103-L154 WeakPolarHBondContact CB-O 3.47Å; L103-D155 HydrophobicContact CD2-CB 4.01Å; L103-H161 HydrophobicContact CD1-CB 3.36Å | ||
| 104 | L | 89.7 | Confident | 94.2 | Very high | 81 Ų | 81 | 31.2 Ų | 31.2 | 42% | 0.424 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -11.2 | -171.3 | -64.8 | 175.8 | 0 | 0 | 0 | 113.7 | I39 L102 G106 N308 | I39-L104 HydrophobicContact CD1-CD2 4.44Å; L102-L104 HydrophobicContact CD1-CD2 4.08Å; L102-L104 HydrophobicContact CD2-CD2 3.84Å; L102-L104 HydrophobicContact CD2-CG 4.42Å; L102-L104 HydrophobicContact CG-CD2 3.85Å; L102-L104 HydrophobicContact CG-CG 4.23Å; L104-G106 PolarHBondContact O-N 3Å; L104-N308 PolarHBondContact O-ND2 3.22Å |
| 105 | G | 92.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H111 L154 N308 | G105-H111 PolarHBondContact O-NE2 2.85Å; G105-L154 WeakPolarHBondContact CA-O 3.4Å; G105-L154 PolarHBondContact N-O 3.19Å; G105-N308 VanDerWaalsContact O-CB 3.29Å; G105-N308 WeakPolarHBondContact O-CB 3.19Å |
| 106 | G | 92.7 | Very high | 94.4 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | trans | 76.2 | 177.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L104 L153 L154 N308 | L104-G106 PolarHBondContact O-N 3Å; G106-L153 CarbonylContact O-C 3.48Å; G106-L153 WeakPolarHBondContact O-CA 3.48Å; G106-L154 PolarHBondContact O-N 3.38Å; G106-N308 VanDerWaalsContact CA-O 3.27Å; G106-N308 WeakPolarHBondContact CA-O 3.43Å | ||
| 107 | D | 94.4 | Very high | 94.2 | Very high | 39 Ų | 39 | 43 Ų | 43 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -83.3 | 153.2 | 175.9 | 61.9 | 84.3 | 0 | 0 | 0 | 112.3 | R109 Y110 H111 I152 L153 | D107-R109 PolarHBondContact O-N 3.37Å; D107-R109 WeakPolarHBondContact OD1-CA 3.45Å; D107-R109 WeakPolarHBondContact OD1-CB 3.28Å; D107-R109 PolarHBondContact OD1-N 3.43Å; D107-R109 VanDerWaalsContact OD1-N 3.14Å; D107-Y110 WeakPolarHBondContact O-CB 3.3Å; D107-Y110 PolarHBondContact O-N 2.94Å; D107-Y110 PolarHBondContact OD1-N 3.09Å; D107-H111 PolarHBondContact O-CD2 2.84Å; D107-I152 CarbonylContact C-O 3.6Å; D107-I152 WeakPolarHBondContact CA-O 3.28Å; D107-L153 HydrophobicContact CB-CD2 3.56Å |
| 108 | L | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.5 | -24.2 | 178.8 | -72.7 | -177.2 | 0 | 0 | 0 | 113 | H111 L112 F118 Y126 P149 I152 L154 V160 L218 | L108-H111 PolarHBondContact O-N 3.19Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 2.97Å; L108-F118 HydrophobicContact CD2-CE1 4.31Å; L108-F118 HydrophobicContact CD2-CZ 3.98Å; L108-Y126 HydrophobicContact CD1-CD2 4.41Å; L108-Y126 HydrophobicContact CD1-CE2 4.49Å; L108-Y126 HydrophobicContact CD2-CE2 4.06Å; L108-P149 HydrophobicContact CB-CB 3.88Å; L108-P149 PolarHBondContact N-O 3.35Å; L108-P149 VanDerWaalsContact N-O 3.1Å; L108-I152 HydrophobicContact CD1-CB 3.81Å; L108-I152 HydrophobicContact CD1-CD1 4.32Å; L108-I152 HydrophobicContact CD1-CG2 3.42Å; L108-I152 VanDerWaalsContact CD1-CG2 3.42Å; L108-I152 HydrophobicContact CG-CB 4.17Å; L108-I152 HydrophobicContact CG-CG2 3.95Å; L108-I152 PolarHBondContact N-O 2.96Å; L108-L154 HydrophobicContact CD2-CD1 3.72Å; L108-L154 HydrophobicContact CD2-CD2 3.99Å; L108-L154 HydrophobicContact CD2-CG 3.86Å; L108-V160 HydrophobicContact CD1-CG1 4.08Å; L108-L218 HydrophobicContact CB-CD2 4.16Å; L108-L218 HydrophobicContact CD1-CD1 3.83Å; L108-L218 HydrophobicContact CD1-CD2 4Å; L108-L218 HydrophobicContact CD2-CD2 4.38Å; L108-L218 HydrophobicContact CG-CD2 4.44Å |
| 109 | R | 95.4 | Very high | 94.5 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 174.8 | 166.4 | 66.1 | 62.2 | -148.4 | -8.8 | 110.9 | D107 H111 L112 Q113 P149 D150 Y186 E217 | D107-R109 PolarHBondContact O-N 3.37Å; D107-R109 WeakPolarHBondContact OD1-CA 3.45Å; D107-R109 WeakPolarHBondContact OD1-CB 3.28Å; D107-R109 PolarHBondContact OD1-N 3.43Å; D107-R109 VanDerWaalsContact OD1-N 3.14Å; R109-H111 VanDerWaalsContact C-N 3.3Å; R109-H111 PolarHBondContact O-N 3.19Å; R109-L112 WeakPolarHBondContact O-CB 3.42Å; R109-L112 PolarHBondContact O-N 2.88Å; R109-Q113 WeakPolarHBondContact O-CG 3.15Å; R109-Q113 PolarHBondContact O-N 2.83Å; R109-P149 HydrophobicContact CB-CB 4.05Å; R109-P149 PolarHBondContact N-O 2.87Å; R109-D150 HydrophobicContact CB-CB 4.21Å; R109-D150 WeakPolarHBondContact CG-OD1 3.37Å; R109-D150 IonicContact CZ-OD2 2.72Å; R109-D150 IonicContact NE-OD1 3.19Å; R109-D150 IonicContact NE-OD2 2.83Å; R109-D150 PolarHBondContact NE-OD2 3.29Å; R109-D150 VanDerWaalsContact NE-OD2 3.11Å; R109-D150 IonicContact NH2-OD2 3.69Å; R109-D150 PolarHBondContact NH2-OD2 2.88Å; R109-Y186 PolarHBondContact NH2-OH 3.14Å; R109-E217 IonicContact CZ-OE1 3.52Å; R109-E217 IonicContact NH1-OE1 3.14Å; R109-E217 PolarHBondContact NH1-OE1 2.83Å; R109-E217 IonicContact NH2-OE1 3.87Å; R109-E217 PolarHBondContact NH2-OE1 3.29Å; R109-E217 IonicContact NH2-OE2 3.34Å |
| 110 | Y | 93.4 | Very high | 94.5 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.3 | -47.7 | 176.3 | 173.6 | -95.3 | 0 | 0 | 0 | 110.7 | D107 L112 Q113 Q114 N308 | D107-Y110 WeakPolarHBondContact O-CB 3.3Å; D107-Y110 PolarHBondContact O-N 2.94Å; D107-Y110 PolarHBondContact OD1-N 3.09Å; Y110-L112 PolarHBondContact O-N 3.26Å; Y110-Q113 WeakPolarHBondContact O-CB 3.23Å; Y110-Q113 PolarHBondContact O-N 2.85Å; Y110-Q113 VanDerWaalsContact O-N 3.11Å; Y110-Q114 HydrophobicContact CD1-CG 4.29Å; Y110-Q114 HydrophobicContact CE1-CG 3.85Å; Y110-Q114 HydrophobicContact CE2-CG 4.33Å; Y110-Q114 WeakPolarHBondContact O-CG 3.46Å; Y110-Q114 PolarHBondContact O-N 2.86Å; Y110-N308 HydrophobicContact CD1-CB 4.05Å; Y110-N308 WeakPolarHBondContact CD1-O 3.43Å; Y110-N308 HydrophobicContact CE1-CB 3.91Å |
| 111 | H | 95 | Very high | 94.5 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 3% | 0.032 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 179.4 | -67.1 | -67.2 | 0 | 0 | 0 | 112.8 | G105 D107 L108 R109 Q113 Q114 N115 V116 F118 F300 | G105-H111 PolarHBondContact O-NE2 2.85Å; D107-H111 PolarHBondContact O-CD2 2.84Å; L108-H111 PolarHBondContact O-N 3.19Å; R109-H111 VanDerWaalsContact C-N 3.3Å; R109-H111 PolarHBondContact O-N 3.19Å; H111-Q113 VanDerWaalsContact C-N 3.33Å; H111-Q113 PolarHBondContact O-N 3.11Å; H111-Q114 PolarHBondContact O-N 3.11Å; H111-N115 PolarHBondContact O-N 2.96Å; H111-V116 HydrophobicContact CB-CB 4.14Å; H111-V116 HydrophobicContact CB-CG2 4.01Å; H111-V116 VanDerWaalsContact O-CB 3.28Å; H111-V116 WeakPolarHBondContact O-CB 3.44Å; H111-V116 WeakPolarHBondContact O-CG2 3.44Å; H111-V116 PolarHBondContact O-N 3.08Å; H111-F118 HydrophobicContact CB-CE2 4.33Å; H111-F118 HydrophobicContact CB-CZ 3.8Å; H111-F300 AromaticContact CE1-CE1 3.85Å; H111-F300 AromaticContact CE1-CZ 3.8Å; H111-F300 AromaticContact ND1-CE1 3.75Å; H111-F300 AromaticContact ND1-CZ 3.43Å; H111-F300 WeakPolarHBondContact ND1-CZ 3.28Å |
| 112 | L | 95.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 49.4 Ų | 49.4 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 171.6 | -76.9 | 170.8 | 0 | 0 | 0 | 112.2 | L108 R109 Y110 Q114 N115 P149 E217 L218 | L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 2.97Å; R109-L112 WeakPolarHBondContact O-CB 3.42Å; R109-L112 PolarHBondContact O-N 2.88Å; Y110-L112 PolarHBondContact O-N 3.26Å; L112-Q114 VanDerWaalsContact C-N 3.27Å; L112-Q114 PolarHBondContact O-N 3.36Å; L112-N115 WeakPolarHBondContact O-CA 3.35Å; L112-N115 PolarHBondContact O-N 2.8Å; L112-P149 HydrophobicContact CD1-CB 3.89Å; L112-P149 HydrophobicContact CD1-CG 3.81Å; L112-E217 HydrophobicContact CD1-CG 3.91Å; L112-L218 HydrophobicContact CD1-CD2 4.16Å; L112-L218 HydrophobicContact CD2-CD2 4.33Å; L112-L218 HydrophobicContact CG-CD2 4.17Å |
| 113 | Q | 93.9 | Very high | 94.7 | Very high | 119 Ų | 119 | 48.2 Ų | 48.2 | 56% | 0.556 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -66.7 | -28.2 | 177.4 | -70.2 | 172 | -13.7 | 0 | 0 | 112.8 | R109 Y110 H111 N115 | R109-Q113 WeakPolarHBondContact O-CG 3.15Å; R109-Q113 PolarHBondContact O-N 2.83Å; Y110-Q113 WeakPolarHBondContact O-CB 3.23Å; Y110-Q113 PolarHBondContact O-N 2.85Å; Y110-Q113 VanDerWaalsContact O-N 3.11Å; H111-Q113 VanDerWaalsContact C-N 3.33Å; H111-Q113 PolarHBondContact O-N 3.11Å; Q113-N115 PolarHBondContact O-N 2.84Å |
| 114 | Q | 91.7 | Very high | 94.9 | Very high | 110 Ų | 110 | 48 Ų | 48 | 51% | 0.514 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 8.4 | 171.3 | -60.1 | -50.4 | -55.7 | 0 | 0 | 113.2 | Y110 H111 L112 V116 | Y110-Q114 HydrophobicContact CD1-CG 4.29Å; Y110-Q114 HydrophobicContact CE1-CG 3.85Å; Y110-Q114 HydrophobicContact CE2-CG 4.33Å; Y110-Q114 WeakPolarHBondContact O-CG 3.46Å; Y110-Q114 PolarHBondContact O-N 2.86Å; H111-Q114 PolarHBondContact O-N 3.11Å; L112-Q114 VanDerWaalsContact C-N 3.27Å; L112-Q114 PolarHBondContact O-N 3.36Å; Q114-V116 HydrophobicContact CB-CG2 4.39Å; Q114-V116 PolarHBondContact O-N 3.12Å |
| 115 | N | 92.6 | Very high | 95.4 | Very high | 124 Ų | 124 | 45.1 Ų | 45.1 | 66% | 0.663 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 33 | -176.9 | -54 | -71.4 | 0 | 0 | 0 | 113.3 | H111 L112 Q113 H117 | H111-N115 PolarHBondContact O-N 2.96Å; L112-N115 WeakPolarHBondContact O-CA 3.35Å; L112-N115 PolarHBondContact O-N 2.8Å; Q113-N115 PolarHBondContact O-N 2.84Å; N115-H117 PolarHBondContact O-CE1 3.37Å; N115-H117 PolarHBondContact O-N 3.18Å; N115-H117 PolarHBondContact O-ND1 3.4Å |
| 116 | V | 94.1 | Very high | 95.7 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | trans | -64.7 | 130.1 | 170.2 | 175 | 0 | 0 | 0 | 0 | 108.8 | H111 Q114 F118 F300 | H111-V116 HydrophobicContact CB-CB 4.14Å; H111-V116 HydrophobicContact CB-CG2 4.01Å; H111-V116 VanDerWaalsContact O-CB 3.28Å; H111-V116 WeakPolarHBondContact O-CB 3.44Å; H111-V116 WeakPolarHBondContact O-CG2 3.44Å; H111-V116 PolarHBondContact O-N 3.08Å; Q114-V116 HydrophobicContact CB-CG2 4.39Å; Q114-V116 PolarHBondContact O-N 3.12Å; V116-F118 HydrophobicContact CB-CE2 4.21Å; V116-F118 HydrophobicContact CB-CZ 4.29Å; V116-F118 HydrophobicContact CG1-CD1 4.31Å; V116-F118 HydrophobicContact CG1-CD2 4.24Å; V116-F118 HydrophobicContact CG1-CE1 3.93Å; V116-F118 HydrophobicContact CG1-CE2 3.85Å; V116-F118 HydrophobicContact CG1-CG 4.46Å; V116-F118 HydrophobicContact CG1-CZ 3.69Å; V116-F300 HydrophobicContact CG1-CD2 3.83Å; V116-F300 HydrophobicContact CG1-CE2 3.52Å; V116-F300 HydrophobicContact CG1-CZ 4.01Å; V116-F300 HydrophobicContact CG2-CE2 4.14Å; V116-F300 HydrophobicContact CG2-CZ 4.23Å | ||
| 117 | H | 90.4 | Very high | 95.9 | Very high | 169 Ų | 169 | 44.8 Ų | 44.8 | 78% | 0.782 | 23% | 0.229 | S | C | * | . | trans | -102.3 | 114.8 | 174.5 | -68.3 | 68.6 | 0 | 0 | 0 | 108.7 | N115 | N115-H117 PolarHBondContact O-CE1 3.37Å; N115-H117 PolarHBondContact O-N 3.18Å; N115-H117 PolarHBondContact O-ND1 3.4Å | ||
| 118 | F | 96.9 | Very high | 96.2 | Very high | 14 Ų | 14 | 43 Ų | 43 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | trans | -85.8 | 135.5 | 178.3 | -62.9 | -84.9 | 0 | 0 | 0 | 110.5 | L108 H111 V116 T122 V123 Y126 L218 F300 | L108-F118 HydrophobicContact CD2-CE1 4.31Å; L108-F118 HydrophobicContact CD2-CZ 3.98Å; H111-F118 HydrophobicContact CB-CE2 4.33Å; H111-F118 HydrophobicContact CB-CZ 3.8Å; V116-F118 HydrophobicContact CB-CE2 4.21Å; V116-F118 HydrophobicContact CB-CZ 4.29Å; V116-F118 HydrophobicContact CG1-CD1 4.31Å; V116-F118 HydrophobicContact CG1-CD2 4.24Å; V116-F118 HydrophobicContact CG1-CE1 3.93Å; V116-F118 HydrophobicContact CG1-CE2 3.85Å; V116-F118 HydrophobicContact CG1-CG 4.46Å; V116-F118 HydrophobicContact CG1-CZ 3.69Å; F118-T122 HydrophobicContact CD1-CG2 4.03Å; F118-V123 HydrophobicContact CB-CG2 3.68Å; F118-Y126 HydrophobicContact CD1-CE2 4Å; F118-Y126 HydrophobicContact CE1-CE2 4.04Å; F118-L218 HydrophobicContact CD2-CB 4.13Å; F118-L218 HydrophobicContact CD2-CD2 3.81Å; F118-L218 HydrophobicContact CE2-CD2 3.65Å; F118-L218 HydrophobicContact CZ-CD2 4.31Å; F118-F300 HydrophobicContact CD1-CB 4.1Å; F118-F300 HydrophobicContact CD1-CD1 4.46Å; F118-F300 HydrophobicContact CD1-CG 4.2Å; F118-F300 HydrophobicContact CE1-CB 4.1Å; F118-F300 AromaticContact CE1-CD1 3.63Å; F118-F300 HydrophobicContact CE1-CD1 3.63Å; F118-F300 HydrophobicContact CE1-CD2 4.35Å; F118-F300 HydrophobicContact CE1-CE1 4.09Å; F118-F300 AromaticContact CE1-CG 3.75Å; F118-F300 HydrophobicContact CE1-CG 3.75Å; F118-F300 HydrophobicContact CZ-CD1 4.45Å; F118-F300 HydrophobicContact CZ-CE1 4.5Å | ||
| 119 | S | 97.5 | Very high | 96.2 | Very high | 50 Ų | 50 | 43 Ų | 43 | 35% | 0.35 | 22% | 0.22 | S | C | . | . | trans | -70.2 | 156.9 | 174 | 75.9 | 0 | 0 | 0 | 0 | 111.3 | S121 T122 V123 | S119-S121 VanDerWaalsContact C-N 3.27Å; S119-S121 PolarHBondContact O-N 3.3Å; S119-S121 PolarHBondContact OG-OG 3.05Å; S119-T122 WeakPolarHBondContact O-CB 3.49Å; S119-T122 PolarHBondContact O-N 3.34Å; S119-T122 VanDerWaalsContact O-N 3.12Å; S119-T122 WeakPolarHBondContact OG-CB 3.44Å; S119-T122 PolarHBondContact OG-N 2.89Å; S119-T122 PolarHBondContact OG-OG1 3.39Å; S119-V123 PolarHBondContact O-N 3.21Å | ||
| 120 | E | 97.9 | Very high | 96.4 | Very high | 45 Ų | 45 | 41.5 Ų | 41.5 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.6 | -39 | 174.3 | -76.2 | -170.4 | -140.6 | 0 | 0 | 112.9 | T122 V123 K124 L219 W251 S252 M255 | E120-T122 VanDerWaalsContact C-N 3.34Å; E120-T122 PolarHBondContact O-N 2.91Å; E120-V123 PolarHBondContact O-N 2.67Å; E120-K124 VanDerWaalsContact O-CB 3.28Å; E120-K124 WeakPolarHBondContact O-CB 3.25Å; E120-K124 PolarHBondContact O-N 2.64Å; E120-L219 HydrophobicContact CG-CD2 3.98Å; E120-W251 WeakPolarHBondContact OE1-CA 3.06Å; E120-W251 WeakPolarHBondContact OE1-CB 3.49Å; E120-S252 PolarHBondContact OE1-N 3.44Å; E120-S252 WeakPolarHBondContact OE2-CB 3.42Å; E120-S252 PolarHBondContact OE2-N 3.09Å; E120-S252 PolarHBondContact OE2-OG 3.35Å; E120-M255 HydrophobicContact CB-CE 4.04Å; E120-M255 HydrophobicContact CG-CE 4.27Å; E120-M255 HydrophobicContact CG-CG 4.31Å; E120-M255 WeakPolarHBondContact O-CE 3.46Å; E120-M255 WeakPolarHBondContact OE2-CB 3.49Å |
| 121 | S | 97.7 | Very high | 96.7 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 57% | 0.573 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.7 | -38.8 | 175.8 | 44.1 | 0 | 0 | 0 | 0 | 112.2 | S119 L125 | S119-S121 VanDerWaalsContact C-N 3.27Å; S119-S121 PolarHBondContact O-N 3.3Å; S119-S121 PolarHBondContact OG-OG 3.05Å; S121-L125 PolarHBondContact O-N 3.36Å; S121-L125 VanDerWaalsContact O-N 3.11Å |
| 122 | T | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -48.2 | 175.6 | -56 | 0 | 0 | 0 | 0 | 110.8 | F118 S119 E120 K124 L125 Y126 F300 | F118-T122 HydrophobicContact CD1-CG2 4.03Å; S119-T122 WeakPolarHBondContact O-CB 3.49Å; S119-T122 PolarHBondContact O-N 3.34Å; S119-T122 VanDerWaalsContact O-N 3.12Å; S119-T122 WeakPolarHBondContact OG-CB 3.44Å; S119-T122 PolarHBondContact OG-N 2.89Å; S119-T122 PolarHBondContact OG-OG1 3.39Å; E120-T122 VanDerWaalsContact C-N 3.34Å; E120-T122 PolarHBondContact O-N 2.91Å; T122-K124 PolarHBondContact O-N 3.37Å; T122-L125 PolarHBondContact O-N 3.26Å; T122-Y126 HydrophobicContact CG2-CD1 4.44Å; T122-Y126 HydrophobicContact CG2-CD2 4.3Å; T122-Y126 HydrophobicContact CG2-CE1 3.86Å; T122-Y126 HydrophobicContact CG2-CE2 3.72Å; T122-Y126 VanDerWaalsContact CG2-CZ 3.46Å; T122-Y126 PolarHBondContact O-N 3.44Å; T122-F300 HydrophobicContact CG2-CB 4.04Å |
| 123 | V | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.9 | -36.1 | -179.6 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | F118 S119 E120 L125 Y126 I127 A215 L218 L219 | F118-V123 HydrophobicContact CB-CG2 3.68Å; S119-V123 PolarHBondContact O-N 3.21Å; E120-V123 PolarHBondContact O-N 2.67Å; V123-L125 VanDerWaalsContact C-N 3.33Å; V123-L125 PolarHBondContact O-N 2.97Å; V123-Y126 PolarHBondContact O-N 3.03Å; V123-I127 HydrophobicContact CG1-CD1 4.17Å; V123-I127 HydrophobicContact CG1-CG1 4.48Å; V123-I127 VanDerWaalsContact O-CG1 3.3Å; V123-I127 WeakPolarHBondContact O-CG1 3.2Å; V123-I127 PolarHBondContact O-N 2.94Å; V123-A215 HydrophobicContact CG1-CB 3.73Å; V123-L218 HydrophobicContact CG2-CB 3.87Å; V123-L219 HydrophobicContact CB-CD2 3.88Å; V123-L219 HydrophobicContact CB-CG 4.11Å; V123-L219 HydrophobicContact CG1-CD1 4.24Å; V123-L219 HydrophobicContact CG1-CD2 4.39Å; V123-L219 HydrophobicContact CG1-CG 4.07Å; V123-L219 HydrophobicContact CG2-CD2 3.57Å; V123-L219 HydrophobicContact CG2-CG 3.87Å |
| 124 | K | 98.6 | Very high | 97.3 | Very high | 20 Ų | 20 | 34 Ų | 34 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.8 | -49.2 | 172 | -176 | -171.7 | -176.7 | 175.2 | 0 | 110.5 | E120 T122 I127 C128 M255 Y282 D285 | E120-K124 VanDerWaalsContact O-CB 3.28Å; E120-K124 WeakPolarHBondContact O-CB 3.25Å; E120-K124 PolarHBondContact O-N 2.64Å; T122-K124 PolarHBondContact O-N 3.37Å; K124-I127 WeakPolarHBondContact O-CB 3.34Å; K124-I127 PolarHBondContact O-N 3.12Å; K124-C128 PolarHBondContact O-N 2.85Å; K124-C128 PolarHBondContact O-SG 2.88Å; K124-C128 VanDerWaalsContact O-SG 3.32Å; K124-M255 HydrophobicContact CB-CE 4.29Å; K124-Y282 HydrophobicContact CB-CE1 4.48Å; K124-Y282 HydrophobicContact CD-CE1 3.91Å; K124-Y282 HydrophobicContact CD-CE2 4.07Å; K124-Y282 WeakPolarHBondContact CE-O 3.27Å; K124-Y282 HydrophobicContact CG-CE1 3.92Å; K124-Y282 PolarHBondContact NZ-O 3.26Å; K124-D285 IonicContact NZ-OD1 3.71Å; K124-D285 PolarHBondContact NZ-OD1 3.08Å; K124-D285 IonicContact NZ-OD2 3.47Å; K124-D285 PolarHBondContact NZ-OD2 3.23Å |
| 125 | L | 98.7 | Very high | 97.6 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 178.4 | -176.7 | 60.3 | 0 | 0 | 0 | 112.1 | S121 T122 V123 I127 C128 E129 V291 L296 P298 | S121-L125 PolarHBondContact O-N 3.36Å; S121-L125 VanDerWaalsContact O-N 3.11Å; T122-L125 PolarHBondContact O-N 3.26Å; V123-L125 VanDerWaalsContact C-N 3.33Å; V123-L125 PolarHBondContact O-N 2.97Å; L125-I127 VanDerWaalsContact C-N 3.26Å; L125-I127 PolarHBondContact O-N 3.43Å; L125-C128 WeakPolarHBondContact O-CA 3.23Å; L125-C128 WeakPolarHBondContact O-CB 3.4Å; L125-C128 PolarHBondContact O-N 3.28Å; L125-E129 HydrophobicContact CD1-CG 4.33Å; L125-E129 HydrophobicContact CG-CG 4.38Å; L125-E129 WeakPolarHBondContact O-CG 3.47Å; L125-E129 PolarHBondContact O-N 2.96Å; L125-V291 HydrophobicContact CD1-CG1 4.24Å; L125-V291 HydrophobicContact CD1-CG2 4Å; L125-L296 HydrophobicContact CD1-CB 4.23Å; L125-L296 HydrophobicContact CD1-CD1 4.42Å; L125-L296 HydrophobicContact CD2-CB 4.32Å; L125-L296 WeakPolarHBondContact CD2-O 3.26Å; L125-P298 HydrophobicContact CD2-CB 4.1Å; L125-P298 HydrophobicContact CD2-CG 3.75Å |
| 126 | Y | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.2 | -37.6 | 175.1 | -66.6 | -10.3 | 0 | 0 | 0 | 112.7 | L108 F118 T122 V123 L130 L154 G158 V160 L218 P298 | L108-Y126 HydrophobicContact CD1-CD2 4.41Å; L108-Y126 HydrophobicContact CD1-CE2 4.49Å; L108-Y126 HydrophobicContact CD2-CE2 4.06Å; F118-Y126 HydrophobicContact CD1-CE2 4Å; F118-Y126 HydrophobicContact CE1-CE2 4.04Å; T122-Y126 HydrophobicContact CG2-CD1 4.44Å; T122-Y126 HydrophobicContact CG2-CD2 4.3Å; T122-Y126 HydrophobicContact CG2-CE1 3.86Å; T122-Y126 HydrophobicContact CG2-CE2 3.72Å; T122-Y126 VanDerWaalsContact CG2-CZ 3.46Å; T122-Y126 PolarHBondContact O-N 3.44Å; V123-Y126 PolarHBondContact O-N 3.03Å; Y126-L130 WeakPolarHBondContact O-CB 3.44Å; Y126-L130 VanDerWaalsContact O-CG 3.31Å; Y126-L130 WeakPolarHBondContact O-CG 3.26Å; Y126-L130 PolarHBondContact O-N 3.15Å; Y126-L154 HydrophobicContact CE1-CD2 4.23Å; Y126-G158 VanDerWaalsContact CE1-O 3.3Å; Y126-G158 WeakPolarHBondContact CE1-O 3.47Å; Y126-V160 HydrophobicContact CD1-CB 4.35Å; Y126-V160 HydrophobicContact CD1-CG1 3.51Å; Y126-V160 HydrophobicContact CD1-CG2 3.95Å; Y126-V160 HydrophobicContact CD2-CG1 3.86Å; Y126-V160 HydrophobicContact CE1-CG1 3.72Å; Y126-V160 HydrophobicContact CE2-CG1 4.04Å; Y126-V160 HydrophobicContact CG-CG1 3.6Å; Y126-V160 HydrophobicContact CG-CG2 4.12Å; Y126-L218 HydrophobicContact CD2-CD1 4.13Å; Y126-P298 HydrophobicContact CE1-CB 3.88Å; Y126-P298 HydrophobicContact CE1-CG 4.28Å |
| 127 | I | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 172.7 | -68.4 | 166.6 | 0 | 0 | 0 | 110.3 | V123 K124 L125 A131 L211 A215 L258 L262 L277 | V123-I127 HydrophobicContact CG1-CD1 4.17Å; V123-I127 HydrophobicContact CG1-CG1 4.48Å; V123-I127 VanDerWaalsContact O-CG1 3.3Å; V123-I127 WeakPolarHBondContact O-CG1 3.2Å; V123-I127 PolarHBondContact O-N 2.94Å; K124-I127 WeakPolarHBondContact O-CB 3.34Å; K124-I127 PolarHBondContact O-N 3.12Å; L125-I127 VanDerWaalsContact C-N 3.26Å; L125-I127 PolarHBondContact O-N 3.43Å; I127-A131 WeakPolarHBondContact O-CB 3.46Å; I127-A131 PolarHBondContact O-N 3.46Å; I127-L211 HydrophobicContact CG1-CD1 4.48Å; I127-L211 HydrophobicContact CG2-CD2 4.29Å; I127-A215 HydrophobicContact CD1-CB 3.71Å; I127-A215 HydrophobicContact CG1-CB 3.88Å; I127-L258 HydrophobicContact CD1-CD2 3.67Å; I127-L258 HydrophobicContact CD1-CG 4.47Å; I127-L258 HydrophobicContact CG2-CD2 4.49Å; I127-L262 HydrophobicContact CD1-CD1 4.49Å; I127-L277 HydrophobicContact CG2-CD1 4.39Å; I127-L277 HydrophobicContact CG2-CD2 4.06Å |
| 128 | C | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 177.5 | -63.7 | 0 | 0 | 0 | 0 | 112.4 | K124 L125 A131 L132 W288 V291 | K124-C128 PolarHBondContact O-N 2.85Å; K124-C128 PolarHBondContact O-SG 2.88Å; K124-C128 VanDerWaalsContact O-SG 3.32Å; L125-C128 WeakPolarHBondContact O-CA 3.23Å; L125-C128 WeakPolarHBondContact O-CB 3.4Å; L125-C128 PolarHBondContact O-N 3.28Å; C128-A131 PolarHBondContact O-N 3.44Å; C128-L132 WeakPolarHBondContact O-CG 3.16Å; C128-L132 PolarHBondContact O-N 2.92Å; C128-W288 HydrophobicContact CB-CH2 4Å; C128-W288 HydrophobicContact CB-CZ3 3.83Å; C128-V291 HydrophobicContact CB-CG1 4.15Å; C128-V291 HydrophobicContact CB-CG2 4.35Å |
| 129 | E | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.5 | -47.4 | 179.9 | -67.4 | -176.3 | 168.5 | 0 | 0 | 111.9 | F82 L125 L132 A133 H159 V160 V291 | F82-E129 HydrophobicContact CD1-CB 3.78Å; F82-E129 HydrophobicContact CD1-CG 4.07Å; F82-E129 HydrophobicContact CD2-CB 4.1Å; F82-E129 VanDerWaalsContact CD2-O 3.26Å; F82-E129 WeakPolarHBondContact CD2-O 3.34Å; F82-E129 HydrophobicContact CE1-CB 3.76Å; F82-E129 VanDerWaalsContact CE1-CD 3.49Å; F82-E129 HydrophobicContact CE1-CG 3.5Å; F82-E129 HydrophobicContact CE2-CB 4.11Å; F82-E129 HydrophobicContact CE2-CG 4.1Å; F82-E129 HydrophobicContact CG-CB 3.95Å; F82-E129 HydrophobicContact CZ-CB 3.92Å; F82-E129 HydrophobicContact CZ-CG 3.52Å; L125-E129 HydrophobicContact CD1-CG 4.33Å; L125-E129 HydrophobicContact CG-CG 4.38Å; L125-E129 WeakPolarHBondContact O-CG 3.47Å; L125-E129 PolarHBondContact O-N 2.96Å; E129-L132 PolarHBondContact O-N 2.86Å; E129-A133 PolarHBondContact O-N 3.46Å; E129-H159 IonicContact OE1-CE1 2.73Å; E129-H159 IonicContact OE1-CG 2.71Å; E129-H159 IonicContact OE1-ND1 3.51Å; E129-H159 PolarHBondContact OE1-ND1 2.98Å; E129-H159 WeakPolarHBondContact OE2-CA 3.26Å; E129-H159 IonicContact OE2-ND1 3.2Å; E129-V160 HydrophobicContact CB-CG2 3.69Å; E129-V160 HydrophobicContact CG-CG2 4.5Å; E129-V160 WeakPolarHBondContact OE2-CG2 3.32Å; E129-V160 PolarHBondContact OE2-N 3.08Å; E129-V291 HydrophobicContact CG-CG1 3.78Å |
| 130 | L | 98.9 | Very high | 98.3 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.2 | -35.7 | 177.2 | -66.5 | 171.5 | 0 | 0 | 0 | 111.6 | Y126 L132 A133 L134 I152 V160 L162 L211 | Y126-L130 WeakPolarHBondContact O-CB 3.44Å; Y126-L130 VanDerWaalsContact O-CG 3.31Å; Y126-L130 WeakPolarHBondContact O-CG 3.26Å; Y126-L130 PolarHBondContact O-N 3.15Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 2.91Å; L130-A133 CarbonylContact O-C 3.5Å; L130-A133 WeakPolarHBondContact O-CA 3.36Å; L130-A133 WeakPolarHBondContact O-CB 3.37Å; L130-A133 PolarHBondContact O-N 3.22Å; L130-A133 VanDerWaalsContact O-N 3.09Å; L130-L134 WeakPolarHBondContact O-CG 3.49Å; L130-L134 PolarHBondContact O-N 2.77Å; L130-I152 HydrophobicContact CD1-CD1 3.81Å; L130-I152 HydrophobicContact CD1-CG1 4.31Å; L130-I152 HydrophobicContact CD1-CG2 4.32Å; L130-I152 HydrophobicContact CD2-CG2 4.41Å; L130-V160 HydrophobicContact CD1-CG2 4.23Å; L130-V160 HydrophobicContact CD2-CB 4.43Å; L130-V160 HydrophobicContact CD2-CG2 4.09Å; L130-V160 HydrophobicContact CG-CB 4.49Å; L130-V160 HydrophobicContact CG-CG2 3.75Å; L130-L162 HydrophobicContact CD2-CB 4.2Å; L130-L211 HydrophobicContact CB-CD1 3.85Å; L130-L211 HydrophobicContact CB-CD2 4.41Å; L130-L211 HydrophobicContact CD1-CD1 3.57Å; L130-L211 HydrophobicContact CG-CD1 4.36Å |
| 131 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I127 C128 L134 G135 W208 L274 L277 | I127-A131 WeakPolarHBondContact O-CB 3.46Å; I127-A131 PolarHBondContact O-N 3.46Å; C128-A131 PolarHBondContact O-N 3.44Å; A131-L134 PolarHBondContact O-N 2.9Å; A131-G135 PolarHBondContact O-N 3.34Å; A131-W208 HydrophobicContact CB-CH2 3.74Å; A131-W208 HydrophobicContact CB-CZ3 3.91Å; A131-L274 HydrophobicContact CB-CD1 4.02Å; A131-L277 HydrophobicContact CB-CD2 3.32Å |
| 132 | L | 98.9 | Very high | 98.2 | Very high | 18 Ų | 18 | 23.4 Ų | 23.4 | 9% | 0.094 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 171.3 | -73.5 | 166.9 | 0 | 0 | 0 | 110.9 | F82 C128 E129 L130 L134 G135 Y136 L274 W288 V291 L292 | F82-L132 HydrophobicContact CD2-CB 4.09Å; F82-L132 HydrophobicContact CD2-CD1 4.25Å; F82-L132 HydrophobicContact CE2-CB 4.4Å; F82-L132 HydrophobicContact CE2-CD1 3.71Å; C128-L132 WeakPolarHBondContact O-CG 3.16Å; C128-L132 PolarHBondContact O-N 2.92Å; E129-L132 PolarHBondContact O-N 2.86Å; L130-L132 VanDerWaalsContact C-N 3.31Å; L130-L132 PolarHBondContact O-N 2.91Å; L132-L134 PolarHBondContact O-N 3.2Å; L132-G135 PolarHBondContact O-N 2.68Å; L132-Y136 PolarHBondContact O-N 2.88Å; L132-L274 HydrophobicContact CD2-CD1 4.4Å; L132-L274 HydrophobicContact CD2-CD2 3.87Å; L132-W288 HydrophobicContact CD1-CE3 4.29Å; L132-W288 HydrophobicContact CD2-CE3 4.09Å; L132-W288 HydrophobicContact CG-CE3 4.07Å; L132-W288 HydrophobicContact CG-CZ3 4.23Å; L132-V291 HydrophobicContact CD1-CB 4.05Å; L132-V291 HydrophobicContact CD1-CG1 3.58Å; L132-L292 HydrophobicContact CD1-CB 4.14Å; L132-L292 HydrophobicContact CD1-CD1 4.37Å |
| 133 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H80 F82 L83 E129 L130 Y136 L137 | H80-A133 PolarHBondContact CE1-N 3.19Å; F82-A133 HydrophobicContact CB-CB 4.07Å; L83-A133 HydrophobicContact CD2-CB 3.94Å; L83-A133 HydrophobicContact CG-CB 4.47Å; E129-A133 PolarHBondContact O-N 3.46Å; L130-A133 CarbonylContact O-C 3.5Å; L130-A133 WeakPolarHBondContact O-CA 3.36Å; L130-A133 WeakPolarHBondContact O-CB 3.37Å; L130-A133 PolarHBondContact O-N 3.22Å; L130-A133 VanDerWaalsContact O-N 3.09Å; A133-Y136 WeakPolarHBondContact O-CB 3.13Å; A133-Y136 PolarHBondContact O-N 3.34Å; A133-L137 WeakPolarHBondContact O-CG 3.45Å; A133-L137 PolarHBondContact O-N 2.92Å |
| 134 | L | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.1 | -38.8 | 177.9 | -62.3 | -170.6 | 0 | 0 | 0 | 112.4 | L130 A131 L132 Y136 L137 R138 I147 L162 D207 W208 L211 | L130-L134 WeakPolarHBondContact O-CG 3.49Å; L130-L134 PolarHBondContact O-N 2.77Å; A131-L134 PolarHBondContact O-N 2.9Å; L132-L134 PolarHBondContact O-N 3.2Å; L134-Y136 VanDerWaalsContact C-N 3.32Å; L134-Y136 PolarHBondContact O-N 2.91Å; L134-L137 HydrophobicContact CD2-CD1 4.3Å; L134-L137 PolarHBondContact O-N 3.04Å; L134-R138 WeakPolarHBondContact O-CB 3.4Å; L134-R138 PolarHBondContact O-N 2.86Å; L134-I147 HydrophobicContact CD1-CD1 4.14Å; L134-I147 HydrophobicContact CD2-CD1 3.55Å; L134-I147 HydrophobicContact CG-CD1 4.43Å; L134-L162 HydrophobicContact CD2-CD2 4.27Å; L134-D207 HydrophobicContact CD1-CB 4.11Å; L134-D207 HydrophobicContact CD2-CB 4.08Å; L134-W208 HydrophobicContact CB-CZ2 4.01Å; L134-W208 HydrophobicContact CD1-CD2 4.14Å; L134-W208 HydrophobicContact CD1-CG 4.28Å; L134-L211 HydrophobicContact CD1-CB 4.49Å; L134-L211 HydrophobicContact CD1-CD2 4.15Å |
| 135 | G | 98.4 | Very high | 98.1 | Very high | 20 Ų | 20 | 23.3 Ų | 23.3 | 21% | 0.206 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58 | -46 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A131 L132 R138 S139 | A131-G135 PolarHBondContact O-N 3.34Å; L132-G135 PolarHBondContact O-N 2.68Å; G135-R138 PolarHBondContact O-N 3.26Å; G135-S139 PolarHBondContact O-N 2.92Å; G135-S139 VanDerWaalsContact O-N 3.13Å |
| 136 | Y | 98.6 | Very high | 98 | Very high | 45 Ų | 45 | 23 Ų | 23 | 18% | 0.176 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.2 | -47.1 | 174.9 | 174.4 | -102.9 | 0 | 0 | 0 | 112.6 | N77 L78 E79 H80 L83 L132 A133 L134 R138 S139 K140 | N77-Y136 PolarHBondContact O-OH 3.19Å; L78-Y136 HydrophobicContact CB-CE1 4.27Å; L78-Y136 HydrophobicContact CD2-CE1 3.82Å; E79-Y136 PolarHBondContact N-OH 2.73Å; E79-Y136 VanDerWaalsContact N-OH 3.12Å; H80-Y136 HydrophobicContact CB-CD1 3.72Å; H80-Y136 HydrophobicContact CB-CE1 3.98Å; H80-Y136 HydrophobicContact CB-CG 4.13Å; H80-Y136 AromaticContact CD2-CG 3.67Å; L83-Y136 HydrophobicContact CD1-CD1 3.87Å; L83-Y136 HydrophobicContact CD1-CE1 3.93Å; L132-Y136 PolarHBondContact O-N 2.88Å; A133-Y136 WeakPolarHBondContact O-CB 3.13Å; A133-Y136 PolarHBondContact O-N 3.34Å; L134-Y136 VanDerWaalsContact C-N 3.32Å; L134-Y136 PolarHBondContact O-N 2.91Å; Y136-R138 VanDerWaalsContact C-N 3.31Å; Y136-R138 PolarHBondContact O-N 2.78Å; Y136-S139 WeakPolarHBondContact O-CB 3.39Å; Y136-S139 PolarHBondContact O-N 3.12Å; Y136-S139 PolarHBondContact O-OG 2.85Å; Y136-K140 HydrophobicContact CE1-CG 4.23Å; Y136-K140 HydrophobicContact CE2-CG 4.21Å; Y136-K140 PolarHBondContact O-N 3.34Å; Y136-K140 VanDerWaalsContact OH-CE 3.22Å; Y136-K140 WeakPolarHBondContact OH-CE 3.35Å |
| 137 | L | 98.1 | Very high | 98 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 178.7 | -71.1 | -179.3 | 0 | 0 | 0 | 112.1 | L78 L83 A133 L134 S139 K140 H141 I142 H144 L162 F165 | L78-L137 HydrophobicContact CD1-CD2 3.75Å; L78-L137 HydrophobicContact CD2-CD2 4.03Å; L83-L137 HydrophobicContact CD1-CD2 3.96Å; A133-L137 WeakPolarHBondContact O-CG 3.45Å; A133-L137 PolarHBondContact O-N 2.92Å; L134-L137 HydrophobicContact CD2-CD1 4.3Å; L134-L137 PolarHBondContact O-N 3.04Å; L137-S139 VanDerWaalsContact C-N 3.33Å; L137-S139 PolarHBondContact O-N 2.68Å; L137-K140 CarbonylContact O-C 3.57Å; L137-K140 WeakPolarHBondContact O-CA 3.48Å; L137-K140 PolarHBondContact O-N 3.11Å; L137-H141 PolarHBondContact O-N 3.42Å; L137-H141 VanDerWaalsContact O-N 3.14Å; L137-I142 CarbonylContact C-O 3.59Å; L137-I142 HydrophobicContact CB-CB 4.44Å; L137-I142 HydrophobicContact CD2-CB 4.32Å; L137-I142 HydrophobicContact CD2-CG2 4.09Å; L137-I142 PolarHBondContact O-N 3.19Å; L137-H144 HydrophobicContact CD1-CB 4.36Å; L137-L162 HydrophobicContact CD1-CD2 4.11Å; L137-F165 HydrophobicContact CD1-CE1 4Å; L137-F165 HydrophobicContact CD1-CZ 4.28Å; L137-F165 HydrophobicContact CD2-CE1 3.71Å; L137-F165 HydrophobicContact CD2-CZ 4.02Å |
| 138 | R | 96.6 | Very high | 97.9 | Very high | 94 Ų | 94 | 24.3 Ų | 24.3 | 36% | 0.355 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -59.8 | -42.7 | 173 | -179.3 | 175.1 | 176.1 | 142.4 | 0.1 | 111.7 | L134 G135 Y136 K140 H141 F204 S272 | L134-R138 WeakPolarHBondContact O-CB 3.4Å; L134-R138 PolarHBondContact O-N 2.86Å; G135-R138 PolarHBondContact O-N 3.26Å; Y136-R138 VanDerWaalsContact C-N 3.31Å; Y136-R138 PolarHBondContact O-N 2.78Å; R138-K140 PolarHBondContact O-N 2.88Å; R138-K140 VanDerWaalsContact O-N 3.16Å; R138-H141 PolarHBondContact O-N 3.28Å; R138-F204 HydrophobicContact CB-CD1 4.18Å; R138-F204 HydrophobicContact CB-CG 4.41Å; R138-F204 HydrophobicContact CG-CD1 4.14Å; R138-F204 HydrophobicContact CG-CD2 4.1Å; R138-F204 HydrophobicContact CG-CE1 4.37Å; R138-F204 HydrophobicContact CG-CE2 4.32Å; R138-F204 HydrophobicContact CG-CG 4.02Å; R138-F204 HydrophobicContact CG-CZ 4.45Å; R138-S272 PolarHBondContact NH1-O 2.84Å |
| 139 | S | 96.4 | Very high | 97.9 | Very high | 76 Ų | 76 | 24.2 Ų | 24.2 | 53% | 0.531 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -61.6 | -21.7 | 175.6 | 84.2 | 0 | 0 | 0 | 0 | 113.4 | G135 Y136 L137 | G135-S139 PolarHBondContact O-N 2.92Å; G135-S139 VanDerWaalsContact O-N 3.13Å; Y136-S139 WeakPolarHBondContact O-CB 3.39Å; Y136-S139 PolarHBondContact O-N 3.12Å; Y136-S139 PolarHBondContact O-OG 2.85Å; L137-S139 VanDerWaalsContact C-N 3.33Å; L137-S139 PolarHBondContact O-N 2.68Å |
| 140 | K | 96.9 | Very high | 97.8 | Very high | 96 Ų | 96 | 27.2 Ų | 27.2 | 42% | 0.417 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 9.1 | 175.3 | -60.3 | -60.5 | -173 | -179.7 | 0 | 113.1 | L78 Y136 L137 R138 I142 | L78-K140 HydrophobicContact CD2-CB 4.03Å; L78-K140 HydrophobicContact CD2-CG 3.94Å; Y136-K140 HydrophobicContact CE1-CG 4.23Å; Y136-K140 HydrophobicContact CE2-CG 4.21Å; Y136-K140 PolarHBondContact O-N 3.34Å; Y136-K140 VanDerWaalsContact OH-CE 3.22Å; Y136-K140 WeakPolarHBondContact OH-CE 3.35Å; L137-K140 CarbonylContact O-C 3.57Å; L137-K140 WeakPolarHBondContact O-CA 3.48Å; L137-K140 PolarHBondContact O-N 3.11Å; R138-K140 PolarHBondContact O-N 2.88Å; R138-K140 VanDerWaalsContact O-N 3.16Å; K140-I142 HydrophobicContact CB-CD1 3.84Å; K140-I142 HydrophobicContact CB-CG1 4.45Å; K140-I142 PolarHBondContact O-N 2.83Å |
| 141 | H | 96.7 | Very high | 97.7 | Very high | 67 Ų | 67 | 27.4 Ų | 27.4 | 31% | 0.31 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 33.6 | -178.3 | -54.7 | -46.9 | 0 | 0 | 0 | 113.5 | L137 R138 I170 V171 E173 | L137-H141 PolarHBondContact O-N 3.42Å; L137-H141 VanDerWaalsContact O-N 3.14Å; R138-H141 PolarHBondContact O-N 3.28Å; H141-I170 HydrophobicContact CB-CG2 4.4Å; H141-I170 CarbonylContact O-C 3.51Å; H141-I170 VanDerWaalsContact O-CA 3.22Å; H141-I170 WeakPolarHBondContact O-CA 3.46Å; H141-V171 WeakPolarHBondContact CB-O 3.35Å; H141-V171 PolarHBondContact O-N 3.04Å; H141-E173 IonicContact CE1-OE1 3.35Å |
| 142 | I | 97.1 | Very high | 97.7 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 4% | 0.036 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.5 | -178.4 | -70.3 | 156.1 | 0 | 0 | 0 | 110.4 | I74 L78 L137 K140 F165 A168 A169 I170 | I74-I142 HydrophobicContact CG2-CD1 3.81Å; I74-I142 HydrophobicContact CG2-CG1 4.37Å; I74-I142 HydrophobicContact CG2-CG2 4.45Å; L78-I142 HydrophobicContact CD1-CD1 4.11Å; L78-I142 HydrophobicContact CD2-CD1 3.39Å; L78-I142 HydrophobicContact CG-CD1 4.08Å; L137-I142 CarbonylContact C-O 3.59Å; L137-I142 HydrophobicContact CB-CB 4.44Å; L137-I142 HydrophobicContact CD2-CB 4.32Å; L137-I142 HydrophobicContact CD2-CG2 4.09Å; L137-I142 PolarHBondContact O-N 3.19Å; K140-I142 HydrophobicContact CB-CD1 3.84Å; K140-I142 HydrophobicContact CB-CG1 4.45Å; K140-I142 PolarHBondContact O-N 2.83Å; I142-F165 HydrophobicContact CG2-CD1 4.46Å; I142-F165 HydrophobicContact CG2-CE1 4.35Å; I142-A168 HydrophobicContact CG2-CB 4.26Å; I142-A169 WeakPolarHBondContact CA-O 3.4Å; I142-I170 HydrophobicContact CG1-CG1 4.2Å |
| 143 | I | 97.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.3 | 166.2 | -48.1 | 177.2 | 0 | 0 | 0 | 107.5 | R145 A168 A169 V171 Y202 F204 V206 D207 | I143-R145 HydrophobicContact CB-CG 4.12Å; I143-R145 HydrophobicContact CG2-CG 3.57Å; I143-A168 CarbonylContact O-C 3.59Å; I143-A168 VanDerWaalsContact O-CA 3.26Å; I143-A168 WeakPolarHBondContact O-CA 3.4Å; I143-A169 PolarHBondContact N-O 3.18Å; I143-A169 PolarHBondContact O-N 3.06Å; I143-V171 HydrophobicContact CD1-CB 3.96Å; I143-V171 HydrophobicContact CD1-CG1 4.44Å; I143-V171 HydrophobicContact CD1-CG2 3.56Å; I143-V171 HydrophobicContact CG1-CB 4.35Å; I143-V171 HydrophobicContact CG1-CG2 4.1Å; I143-Y202 HydrophobicContact CD1-CD2 4.47Å; I143-Y202 HydrophobicContact CD1-CE2 4.43Å; I143-F204 HydrophobicContact CG1-CD1 3.66Å; I143-F204 HydrophobicContact CG1-CE1 3.84Å; I143-F204 HydrophobicContact CG1-CG 4.38Å; I143-V206 HydrophobicContact CG2-CG2 3.58Å; I143-D207 WeakPolarHBondContact CG2-OD2 3.5Å |
| 144 | H | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -74.1 | -45.8 | -179.1 | -170 | -66.5 | 0 | 0 | 0 | 112.3 | L137 D146 I147 L162 T163 D164 F165 D207 | L137-H144 HydrophobicContact CD1-CB 4.36Å; H144-D146 PolarHBondContact ND1-N 2.94Å; H144-D146 PolarHBondContact O-N 3.26Å; H144-I147 HydrophobicContact CB-CD1 4.48Å; H144-I147 HydrophobicContact CB-CG1 4.23Å; H144-L162 HydrophobicContact CB-CD2 4.41Å; H144-L162 WeakPolarHBondContact CD2-CD2 3.29Å; H144-L162 VanDerWaalsContact CD2-CG 3.5Å; H144-L162 WeakPolarHBondContact CD2-CG 3.27Å; H144-T163 PolarHBondContact CE1-O 3Å; H144-T163 PolarHBondContact NE2-O 2.93Å; H144-D164 PolarHBondContact CE1-O 3.28Å; H144-D164 PolarHBondContact NE2-O 3.22Å; H144-F165 AromaticContact CD2-CE1 3.79Å; H144-F165 AromaticContact CD2-CZ 3.96Å; H144-D207 PolarHBondContact N-OD2 2.74Å | ||
| 145 | R | 97.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 28.4 Ų | 28.4 | 9% | 0.087 | 14% | 0.142 | C | C | . | . | trans | 67.3 | 5.8 | 178.3 | -51.5 | -167.6 | -67.9 | 173 | 0.7 | 116.9 | I143 I167 S179 G182 Y202 D207 | I143-R145 HydrophobicContact CB-CG 4.12Å; I143-R145 HydrophobicContact CG2-CG 3.57Å; R145-I167 HydrophobicContact CB-CD1 4.31Å; R145-I167 HydrophobicContact CB-CG1 4.49Å; R145-I167 PolarHBondContact NE-O 3.29Å; R145-I167 PolarHBondContact NH2-O 3.49Å; R145-S179 PolarHBondContact NH1-OG 3.45Å; R145-G182 VanDerWaalsContact O-CA 3.28Å; R145-G182 WeakPolarHBondContact O-CA 3.33Å; R145-Y202 WeakPolarHBondContact CD-OH 3.48Å; R145-Y202 HydrophobicContact CG-CE2 4.43Å; R145-Y202 PolarHBondContact NH1-OH 3.39Å; R145-D207 PolarHBondContact N-OD1 2.78Å | ||
| 146 | D | 97.3 | Very high | 97 | Very high | 14 Ų | 14 | 31 Ų | 31 | 8% | 0.075 | 15% | 0.149 | C | C | . | . | trans | -149.2 | 40.7 | -178 | -152.1 | 33.2 | 0 | 0 | 0 | 113.5 | H144 K148 N151 I167 T183 | H144-D146 PolarHBondContact ND1-N 2.94Å; H144-D146 PolarHBondContact O-N 3.26Å; D146-K148 PolarHBondContact O-N 3.14Å; D146-K148 IonicContact OD1-NZ 3.63Å; D146-K148 PolarHBondContact OD1-NZ 3.01Å; D146-K148 IonicContact OD2-NZ 2.68Å; D146-K148 PolarHBondContact OD2-NZ 3.32Å; D146-N151 PolarHBondContact O-ND2 3.09Å; D146-N151 PolarHBondContact OD2-ND2 3.46Å; D146-I167 HydrophobicContact CB-CD1 3.63Å; D146-I167 HydrophobicContact CB-CG1 3.92Å; D146-T183 WeakPolarHBondContact OD1-CB 3.48Å; D146-T183 PolarHBondContact OD1-N 2.92Å; D146-T183 VanDerWaalsContact OD1-N 3.1Å; D146-T183 PolarHBondContact OD1-OG1 2.85Å | ||
| 147 | I | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | trans | -73.4 | 118.3 | 174.5 | -61.9 | 165 | 0 | 0 | 0 | 108.6 | L134 H144 I152 L162 D207 S210 | L134-I147 HydrophobicContact CD1-CD1 4.14Å; L134-I147 HydrophobicContact CD2-CD1 3.55Å; L134-I147 HydrophobicContact CG-CD1 4.43Å; H144-I147 HydrophobicContact CB-CD1 4.48Å; H144-I147 HydrophobicContact CB-CG1 4.23Å; I147-I152 HydrophobicContact CG2-CD1 4.17Å; I147-L162 HydrophobicContact CD1-CD2 4.47Å; I147-L162 HydrophobicContact CG1-CD1 3.95Å; I147-L162 HydrophobicContact CG1-CD2 4.17Å; I147-D207 HydrophobicContact CD1-CB 3.48Å; I147-D207 VanDerWaalsContact CD1-CB 3.48Å; I147-D207 WeakPolarHBondContact CD1-O 3.32Å; I147-S210 WeakPolarHBondContact O-CB 3.44Å | ||
| 148 | K | 98 | Very high | 96.7 | Very high | 29 Ų | 29 | 33 Ų | 33 | 13% | 0.126 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -161.2 | 162 | 179.7 | 66.1 | -164.2 | -173 | -153.2 | 0 | 109.1 | D146 D150 N151 I152 T183 Y186 | D146-K148 PolarHBondContact O-N 3.14Å; D146-K148 IonicContact OD1-NZ 3.63Å; D146-K148 PolarHBondContact OD1-NZ 3.01Å; D146-K148 IonicContact OD2-NZ 2.68Å; D146-K148 PolarHBondContact OD2-NZ 3.32Å; K148-D150 HydrophobicContact CD-CB 4.33Å; K148-D150 HydrophobicContact CG-CB 4Å; K148-D150 PolarHBondContact O-N 3.41Å; K148-D150 VanDerWaalsContact O-N 3.08Å; K148-N151 WeakPolarHBondContact CE-ND2 3.39Å; K148-N151 HydrophobicContact CG-CB 4.25Å; K148-N151 PolarHBondContact O-N 3.41Å; K148-I152 WeakPolarHBondContact O-CG1 3.38Å; K148-I152 PolarHBondContact O-N 3.33Å; K148-T183 HydrophobicContact CD-CG2 4.35Å; K148-T183 WeakPolarHBondContact CD-OG1 3.49Å; K148-T183 PolarHBondContact NZ-OG1 3.34Å; K148-Y186 HydrophobicContact CB-CD1 3.86Å; K148-Y186 HydrophobicContact CB-CD2 3.75Å; K148-Y186 HydrophobicContact CB-CE1 3.87Å; K148-Y186 HydrophobicContact CB-CE2 3.73Å; K148-Y186 HydrophobicContact CB-CG 3.83Å; K148-Y186 HydrophobicContact CD-CD2 4.46Å |
| 149 | P | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -53.3 | -32.7 | -179.1 | -29.2 | 36.6 | 0 | 0 | 0 | 114.5 | L108 R109 L112 N151 I152 E217 | L108-P149 HydrophobicContact CB-CB 3.88Å; L108-P149 PolarHBondContact N-O 3.35Å; L108-P149 VanDerWaalsContact N-O 3.1Å; R109-P149 HydrophobicContact CB-CB 4.05Å; R109-P149 PolarHBondContact N-O 2.87Å; L112-P149 HydrophobicContact CD1-CB 3.89Å; L112-P149 HydrophobicContact CD1-CG 3.81Å; P149-N151 PolarHBondContact O-N 2.9Å; P149-I152 PolarHBondContact O-N 2.97Å; P149-E217 WeakPolarHBondContact CG-OE2 3.39Å |
| 150 | D | 95.8 | Very high | 96.9 | Very high | 64 Ų | 64 | 25.4 Ų | 25.4 | 34% | 0.342 | 12% | 0.12 | S | C | . | . | G | 310 helix | trans | -64.5 | -26.9 | 177.9 | -47.7 | -119.2 | 0 | 0 | 0 | 113.1 | R109 K148 | R109-D150 HydrophobicContact CB-CB 4.21Å; R109-D150 WeakPolarHBondContact CG-OD1 3.37Å; R109-D150 IonicContact CZ-OD2 2.72Å; R109-D150 IonicContact NE-OD1 3.19Å; R109-D150 IonicContact NE-OD2 2.83Å; R109-D150 PolarHBondContact NE-OD2 3.29Å; R109-D150 VanDerWaalsContact NE-OD2 3.11Å; R109-D150 IonicContact NH2-OD2 3.69Å; R109-D150 PolarHBondContact NH2-OD2 2.88Å; K148-D150 HydrophobicContact CD-CB 4.33Å; K148-D150 HydrophobicContact CG-CB 4Å; K148-D150 PolarHBondContact O-N 3.41Å; K148-D150 VanDerWaalsContact O-N 3.08Å |
| 151 | N | 97.4 | Very high | 97 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 6% | 0.064 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -107.5 | 13 | -178 | -68.2 | -9.2 | 0 | 0 | 0 | 112.6 | D146 K148 P149 T163 | D146-N151 PolarHBondContact O-ND2 3.09Å; D146-N151 PolarHBondContact OD2-ND2 3.46Å; K148-N151 WeakPolarHBondContact CE-ND2 3.39Å; K148-N151 HydrophobicContact CG-CB 4.25Å; K148-N151 PolarHBondContact O-N 3.41Å; P149-N151 PolarHBondContact O-N 2.9Å; N151-T163 HydrophobicContact CB-CG2 4.49Å; N151-T163 WeakPolarHBondContact O-CG2 3.2Å; N151-T163 PolarHBondContact O-N 3.32Å |
| 152 | I | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 110.7 | 175.5 | -60.2 | 162.1 | 0 | 0 | 0 | 107.4 | D107 L108 L130 I147 K148 P149 V160 H161 L162 A214 | D107-I152 CarbonylContact C-O 3.6Å; D107-I152 WeakPolarHBondContact CA-O 3.28Å; L108-I152 HydrophobicContact CD1-CB 3.81Å; L108-I152 HydrophobicContact CD1-CD1 4.32Å; L108-I152 HydrophobicContact CD1-CG2 3.42Å; L108-I152 VanDerWaalsContact CD1-CG2 3.42Å; L108-I152 HydrophobicContact CG-CB 4.17Å; L108-I152 HydrophobicContact CG-CG2 3.95Å; L108-I152 PolarHBondContact N-O 2.96Å; L130-I152 HydrophobicContact CD1-CD1 3.81Å; L130-I152 HydrophobicContact CD1-CG1 4.31Å; L130-I152 HydrophobicContact CD1-CG2 4.32Å; L130-I152 HydrophobicContact CD2-CG2 4.41Å; I147-I152 HydrophobicContact CG2-CD1 4.17Å; K148-I152 WeakPolarHBondContact O-CG1 3.38Å; K148-I152 PolarHBondContact O-N 3.33Å; P149-I152 PolarHBondContact O-N 2.97Å; I152-V160 HydrophobicContact CG2-CB 3.63Å; I152-V160 HydrophobicContact CG2-CG1 3.68Å; I152-H161 WeakPolarHBondContact CA-O 3.39Å; I152-L162 HydrophobicContact CG1-CD1 4.31Å; I152-A214 HydrophobicContact CD1-CB 4.32Å |
| 153 | L | 97.2 | Very high | 97 | Very high | 36 Ų | 36 | 18.9 Ų | 18.9 | 19% | 0.188 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 150.5 | -177.3 | -57.1 | -170.5 | 0 | 0 | 0 | 111.2 | V84 L103 G106 D107 V160 H161 T163 | V84-L153 HydrophobicContact CG2-CD1 4.08Å; L103-L153 HydrophobicContact CB-CB 4.08Å; L103-L153 HydrophobicContact CB-CD1 4.25Å; L103-L153 HydrophobicContact CD1-CB 3.62Å; L103-L153 HydrophobicContact CD1-CD1 4.24Å; L103-L153 HydrophobicContact CG-CB 4.48Å; G106-L153 CarbonylContact O-C 3.48Å; G106-L153 WeakPolarHBondContact O-CA 3.48Å; D107-L153 HydrophobicContact CB-CD2 3.56Å; L153-V160 CarbonylContact O-C 3.59Å; L153-V160 WeakPolarHBondContact O-CA 3.4Å; L153-H161 PolarHBondContact N-O 2.83Å; L153-H161 PolarHBondContact O-N 3.19Å; L153-T163 HydrophobicContact CD1-CG2 3.96Å; L153-T163 HydrophobicContact CD2-CG2 4.27Å; L153-T163 HydrophobicContact CG-CG2 3.77Å |
| 154 | L | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138.9 | 173.8 | -65.4 | 173.1 | 0 | 0 | 0 | 110.9 | L103 G105 G106 L108 Y126 G158 H159 V160 F300 P302 | L103-L154 WeakPolarHBondContact CB-O 3.47Å; G105-L154 WeakPolarHBondContact CA-O 3.4Å; G105-L154 PolarHBondContact N-O 3.19Å; G106-L154 PolarHBondContact O-N 3.38Å; L108-L154 HydrophobicContact CD2-CD1 3.72Å; L108-L154 HydrophobicContact CD2-CD2 3.99Å; L108-L154 HydrophobicContact CD2-CG 3.86Å; Y126-L154 HydrophobicContact CE1-CD2 4.23Å; L154-G158 VanDerWaalsContact CD2-O 3.23Å; L154-G158 WeakPolarHBondContact CD2-O 3.38Å; L154-H159 WeakPolarHBondContact CA-O 3.3Å; L154-V160 HydrophobicContact CD2-CG1 3.52Å; L154-F300 HydrophobicContact CD1-CD1 3.95Å; L154-F300 HydrophobicContact CD1-CE1 3.74Å; L154-P302 HydrophobicContact CB-CG 3.81Å; L154-P302 HydrophobicContact CD1-CG 3.67Å; L154-P302 HydrophobicContact CG-CG 4.38Å |
| 155 | D | 94.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.043 | 10% | 0.104 | C | C | . | . | trans | -80 | 179 | 164.1 | 72.5 | 17.5 | 0 | 0 | 0 | 111.8 | L103 H157 G158 H159 H161 K294 | L103-D155 HydrophobicContact CD2-CB 4.01Å; D155-H157 PolarHBondContact O-N 3.38Å; D155-H157 WeakPolarHBondContact OD1-CA 3.22Å; D155-H157 WeakPolarHBondContact OD1-CB 3.27Å; D155-H157 PolarHBondContact OD1-N 2.95Å; D155-G158 PolarHBondContact O-N 3.35Å; D155-G158 VanDerWaalsContact O-N 3.12Å; D155-G158 PolarHBondContact OD1-N 3.23Å; D155-H159 PolarHBondContact N-O 3.5Å; D155-H159 IonicContact OD1-CD2 3.69Å; D155-H159 PolarHBondContact OD1-N 3.07Å; D155-H159 WeakPolarHBondContact OD2-CB 3.45Å; D155-H159 IonicContact OD2-CD2 3.5Å; D155-H159 IonicContact OD2-CG 3.81Å; D155-H161 IonicContact OD2-CE1 3.49Å; D155-H161 PolarHBondContact OD2-CE1 3.13Å; D155-K294 IonicContact OD2-NZ 3.41Å; D155-K294 PolarHBondContact OD2-NZ 3.44Å | ||
| 156 | E | 91.7 | Very high | 96.4 | Very high | 76 Ų | 76 | 22.5 Ų | 22.5 | 36% | 0.355 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -7.2 | -179.6 | 68.1 | -84.5 | -172.6 | 0 | 0 | 115 | R304 | E156-R304 PolarHBondContact O-NE 3.23Å; E156-R304 VanDerWaalsContact O-NE 3.08Å; E156-R304 PolarHBondContact O-NH2 2.98Å |
| 157 | H | 94.1 | Very high | 96.2 | Very high | 88 Ų | 88 | 24.3 Ų | 24.3 | 41% | 0.407 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -8.4 | 174.7 | -55 | 99.7 | 0 | 0 | 0 | 111.8 | D155 R304 | D155-H157 PolarHBondContact O-N 3.38Å; D155-H157 WeakPolarHBondContact OD1-CA 3.22Å; D155-H157 WeakPolarHBondContact OD1-CB 3.27Å; D155-H157 PolarHBondContact OD1-N 2.95Å; H157-R304 PolarHBondContact CD2-NH2 3.04Å; H157-R304 VanDerWaalsContact CD2-NH2 3.31Å; H157-R304 PolarHBondContact NE2-NH2 2.56Å |
| 158 | G | 96 | Very high | 96 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | 94.3 | 8.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y126 L154 D155 P298 | Y126-G158 VanDerWaalsContact CE1-O 3.3Å; Y126-G158 WeakPolarHBondContact CE1-O 3.47Å; L154-G158 VanDerWaalsContact CD2-O 3.23Å; L154-G158 WeakPolarHBondContact CD2-O 3.38Å; D155-G158 PolarHBondContact O-N 3.35Å; D155-G158 VanDerWaalsContact O-N 3.12Å; D155-G158 PolarHBondContact OD1-N 3.23Å; G158-P298 WeakPolarHBondContact O-CG 3.42Å | ||
| 159 | H | 98.3 | Very high | 95.8 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | trans | -76.2 | 141.6 | 176.6 | -60.2 | -78.1 | 0 | 0 | 0 | 111.1 | F82 E129 L154 D155 H161 K294 L296 | F82-H159 HydrophobicContact CE1-CB 4.35Å; E129-H159 IonicContact OE1-CE1 2.73Å; E129-H159 IonicContact OE1-CG 2.71Å; E129-H159 IonicContact OE1-ND1 3.51Å; E129-H159 PolarHBondContact OE1-ND1 2.98Å; E129-H159 WeakPolarHBondContact OE2-CA 3.26Å; E129-H159 IonicContact OE2-ND1 3.2Å; L154-H159 WeakPolarHBondContact CA-O 3.3Å; D155-H159 PolarHBondContact N-O 3.5Å; D155-H159 IonicContact OD1-CD2 3.69Å; D155-H159 PolarHBondContact OD1-N 3.07Å; D155-H159 WeakPolarHBondContact OD2-CB 3.45Å; D155-H159 IonicContact OD2-CD2 3.5Å; D155-H159 IonicContact OD2-CG 3.81Å; H159-H161 PolarHBondContact O-CE1 3.25Å; H159-H161 PolarHBondContact O-ND1 2.99Å; H159-K294 HydrophobicContact CB-CD 4.39Å; H159-L296 PolarHBondContact CE1-O 3Å; H159-L296 VanDerWaalsContact CE1-O 3.26Å | ||
| 160 | V | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 141 | -178.5 | -71.2 | 0 | 0 | 0 | 0 | 112.2 | F82 L108 Y126 E129 L130 I152 L153 L154 | F82-V160 WeakPolarHBondContact CD1-O 3.49Å; L108-V160 HydrophobicContact CD1-CG1 4.08Å; Y126-V160 HydrophobicContact CD1-CB 4.35Å; Y126-V160 HydrophobicContact CD1-CG1 3.51Å; Y126-V160 HydrophobicContact CD1-CG2 3.95Å; Y126-V160 HydrophobicContact CD2-CG1 3.86Å; Y126-V160 HydrophobicContact CE1-CG1 3.72Å; Y126-V160 HydrophobicContact CE2-CG1 4.04Å; Y126-V160 HydrophobicContact CG-CG1 3.6Å; Y126-V160 HydrophobicContact CG-CG2 4.12Å; E129-V160 HydrophobicContact CB-CG2 3.69Å; E129-V160 HydrophobicContact CG-CG2 4.5Å; E129-V160 WeakPolarHBondContact OE2-CG2 3.32Å; E129-V160 PolarHBondContact OE2-N 3.08Å; L130-V160 HydrophobicContact CD1-CG2 4.23Å; L130-V160 HydrophobicContact CD2-CB 4.43Å; L130-V160 HydrophobicContact CD2-CG2 4.09Å; L130-V160 HydrophobicContact CG-CB 4.49Å; L130-V160 HydrophobicContact CG-CG2 3.75Å; I152-V160 HydrophobicContact CG2-CB 3.63Å; I152-V160 HydrophobicContact CG2-CG1 3.68Å; L153-V160 CarbonylContact O-C 3.59Å; L153-V160 WeakPolarHBondContact O-CA 3.4Å; L154-V160 HydrophobicContact CD2-CG1 3.52Å |
| 161 | H | 98.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.028 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132.1 | 176.7 | -58.2 | 66.8 | 0 | 0 | 0 | 109.7 | P81 F82 V84 L103 I152 L153 D155 H159 K294 | P81-H161 PolarHBondContact O-CD2 2.96Å; P81-H161 PolarHBondContact O-NE2 2.86Å; P81-H161 VanDerWaalsContact O-NE2 3.11Å; F82-H161 WeakPolarHBondContact O-CA 3.43Å; V84-H161 HydrophobicContact CG2-CB 4.02Å; L103-H161 HydrophobicContact CD1-CB 3.36Å; I152-H161 WeakPolarHBondContact CA-O 3.39Å; L153-H161 PolarHBondContact N-O 2.83Å; L153-H161 PolarHBondContact O-N 3.19Å; D155-H161 IonicContact OD2-CE1 3.49Å; D155-H161 PolarHBondContact OD2-CE1 3.13Å; H159-H161 PolarHBondContact O-CE1 3.25Å; H159-H161 PolarHBondContact O-ND1 2.99Å; H161-K294 PolarHBondContact CE1-NZ 3.34Å; H161-K294 PolarHBondContact NE2-NZ 3.4Å |
| 162 | L | 98.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 135.3 | 175.2 | -172.2 | 61.7 | 0 | 0 | 0 | 110.2 | F82 L83 V84 L130 L134 L137 H144 I147 I152 | F82-L162 PolarHBondContact O-N 3Å; L83-L162 HydrophobicContact CD2-CB 3.81Å; L83-L162 HydrophobicContact CD2-CD2 4.33Å; L83-L162 HydrophobicContact CD2-CG 4.46Å; V84-L162 PolarHBondContact N-O 3.41Å; L130-L162 HydrophobicContact CD2-CB 4.2Å; L134-L162 HydrophobicContact CD2-CD2 4.27Å; L137-L162 HydrophobicContact CD1-CD2 4.11Å; H144-L162 HydrophobicContact CB-CD2 4.41Å; H144-L162 WeakPolarHBondContact CD2-CD2 3.29Å; H144-L162 VanDerWaalsContact CD2-CG 3.5Å; H144-L162 WeakPolarHBondContact CD2-CG 3.27Å; I147-L162 HydrophobicContact CD1-CD2 4.47Å; I147-L162 HydrophobicContact CG1-CD1 3.95Å; I147-L162 HydrophobicContact CG1-CD2 4.17Å; I152-L162 HydrophobicContact CG1-CD1 4.31Å |
| 163 | T | 96.3 | Very high | 93.8 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 16% | 0.16 | 19% | 0.186 | C | C | . | . | trans | -133.8 | 175.5 | 179.5 | -163.3 | 0 | 0 | 0 | 0 | 111.3 | H144 N151 L153 | H144-T163 PolarHBondContact CE1-O 3Å; H144-T163 PolarHBondContact NE2-O 2.93Å; N151-T163 HydrophobicContact CB-CG2 4.49Å; N151-T163 WeakPolarHBondContact O-CG2 3.2Å; N151-T163 PolarHBondContact O-N 3.32Å; L153-T163 HydrophobicContact CD1-CG2 3.96Å; L153-T163 HydrophobicContact CD2-CG2 4.27Å; L153-T163 HydrophobicContact CG-CG2 3.77Å | ||
| 164 | D | 92.7 | Very high | 93 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 22% | 0.219 | 22% | 0.218 | C | C | . | . | trans | 65.7 | 82.2 | 175.4 | -165 | 1 | 0 | 0 | 0 | 115.1 | H144 N166 | H144-D164 PolarHBondContact CE1-O 3.28Å; H144-D164 PolarHBondContact NE2-O 3.22Å; D164-N166 VanDerWaalsContact C-N 3.32Å; D164-N166 PolarHBondContact O-N 3.09Å; D164-N166 VanDerWaalsContact OD1-CB 3.27Å; D164-N166 WeakPolarHBondContact OD1-CB 3.33Å; D164-N166 PolarHBondContact OD1-N 3.01Å; D164-N166 PolarHBondContact OD1-ND2 3.26Å; D164-N166 PolarHBondContact OD2-ND2 3.37Å | ||
| 165 | F | 95.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | trans | -90.6 | 15.1 | 178.1 | -72.1 | -97.1 | 0 | 0 | 0 | 113.3 | E71 I74 M75 L78 L83 L137 I142 H144 I167 A168 | E71-F165 HydrophobicContact CG-CB 4.23Å; I74-F165 HydrophobicContact CG2-CB 4.48Å; I74-F165 HydrophobicContact CG2-CD1 4.03Å; I74-F165 HydrophobicContact CG2-CG 4.47Å; M75-F165 HydrophobicContact CE-CD2 4.31Å; M75-F165 HydrophobicContact CG-CB 4.13Å; M75-F165 HydrophobicContact CG-CD2 4.21Å; M75-F165 HydrophobicContact CG-CG 4.32Å; L78-F165 HydrophobicContact CD1-CD1 4.08Å; L78-F165 HydrophobicContact CD1-CE1 3.61Å; L78-F165 HydrophobicContact CD1-CE2 4.39Å; L78-F165 HydrophobicContact CD1-CZ 3.79Å; L83-F165 HydrophobicContact CD1-CZ 4.27Å; L83-F165 HydrophobicContact CD2-CE2 4.47Å; L83-F165 HydrophobicContact CD2-CZ 3.91Å; L137-F165 HydrophobicContact CD1-CE1 4Å; L137-F165 HydrophobicContact CD1-CZ 4.28Å; L137-F165 HydrophobicContact CD2-CE1 3.71Å; L137-F165 HydrophobicContact CD2-CZ 4.02Å; I142-F165 HydrophobicContact CG2-CD1 4.46Å; I142-F165 HydrophobicContact CG2-CE1 4.35Å; H144-F165 AromaticContact CD2-CE1 3.79Å; H144-F165 AromaticContact CD2-CZ 3.96Å; F165-I167 PolarHBondContact O-N 3.35Å; F165-A168 HydrophobicContact CB-CB 4.03Å; F165-A168 HydrophobicContact CD1-CB 3.79Å; F165-A168 HydrophobicContact CG-CB 4.4Å; F165-A168 WeakPolarHBondContact O-CB 3.3Å; F165-A168 PolarHBondContact O-N 2.96Å | ||
| 166 | N | 91 | Very high | 92.2 | Very high | 56 Ų | 56 | 53.2 Ų | 53.2 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -39.1 | -176 | -76.6 | -34.3 | 0 | 0 | 0 | 113.2 | K52 E71 D164 | K52-N166 PolarHBondContact NZ-OD1 3.29Å; E71-N166 PolarHBondContact OE1-OD1 3.2Å; E71-N166 PolarHBondContact OE2-OD1 3.29Å; D164-N166 VanDerWaalsContact C-N 3.32Å; D164-N166 PolarHBondContact O-N 3.09Å; D164-N166 VanDerWaalsContact OD1-CB 3.27Å; D164-N166 WeakPolarHBondContact OD1-CB 3.33Å; D164-N166 PolarHBondContact OD1-N 3.01Å; D164-N166 PolarHBondContact OD1-ND2 3.26Å; D164-N166 PolarHBondContact OD2-ND2 3.37Å |
| 167 | I | 93.3 | Very high | 92 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 15.5 | -178.6 | 67 | 166.9 | 0 | 0 | 0 | 113 | R145 D146 F165 A181 G182 | R145-I167 HydrophobicContact CB-CD1 4.31Å; R145-I167 HydrophobicContact CB-CG1 4.49Å; R145-I167 PolarHBondContact NE-O 3.29Å; R145-I167 PolarHBondContact NH2-O 3.49Å; D146-I167 HydrophobicContact CB-CD1 3.63Å; D146-I167 HydrophobicContact CB-CG1 3.92Å; F165-I167 PolarHBondContact O-N 3.35Å; I167-A181 HydrophobicContact CB-CB 4.45Å; I167-A181 HydrophobicContact CD1-CB 4.17Å; I167-G182 VanDerWaalsContact CD1-N 3.29Å |
| 168 | A | 95.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | trans | -63.1 | 156.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K70 I74 I142 I143 F165 | K70-A168 WeakPolarHBondContact CE-O 3.23Å; K70-A168 PolarHBondContact NZ-O 3.48Å; I74-A168 HydrophobicContact CD1-CB 3.84Å; I142-A168 HydrophobicContact CG2-CB 4.26Å; I143-A168 CarbonylContact O-C 3.59Å; I143-A168 VanDerWaalsContact O-CA 3.26Å; I143-A168 WeakPolarHBondContact O-CA 3.4Å; F165-A168 HydrophobicContact CB-CB 4.03Å; F165-A168 HydrophobicContact CD1-CB 3.79Å; F165-A168 HydrophobicContact CG-CB 4.4Å; F165-A168 WeakPolarHBondContact O-CB 3.3Å; F165-A168 PolarHBondContact O-N 2.96Å | ||
| 169 | A | 94 | Very high | 91.3 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I142 I143 V171 | I142-A169 WeakPolarHBondContact CA-O 3.4Å; I143-A169 PolarHBondContact N-O 3.18Å; I143-A169 PolarHBondContact O-N 3.06Å; A169-V171 HydrophobicContact CB-CG2 4.22Å |
| 170 | I | 93.8 | Very high | 90.8 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 47% | 0.467 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 120 | 170 | -57.4 | 172.1 | 0 | 0 | 0 | 107.3 | I74 H141 I142 | I74-I170 HydrophobicContact CD1-CG1 4.27Å; I74-I170 HydrophobicContact CG1-CD1 4.08Å; I74-I170 HydrophobicContact CG1-CG1 4.09Å; H141-I170 HydrophobicContact CB-CG2 4.4Å; H141-I170 CarbonylContact O-C 3.51Å; H141-I170 VanDerWaalsContact O-CA 3.22Å; H141-I170 WeakPolarHBondContact O-CA 3.46Å; I142-I170 HydrophobicContact CG1-CG1 4.2Å |
| 171 | V | 91 | Very high | 90.4 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | trans | -131.2 | 110.7 | -177.5 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | H141 I143 A169 L175 A177 F204 | H141-V171 WeakPolarHBondContact CB-O 3.35Å; H141-V171 PolarHBondContact O-N 3.04Å; I143-V171 HydrophobicContact CD1-CB 3.96Å; I143-V171 HydrophobicContact CD1-CG1 4.44Å; I143-V171 HydrophobicContact CD1-CG2 3.56Å; I143-V171 HydrophobicContact CG1-CB 4.35Å; I143-V171 HydrophobicContact CG1-CG2 4.1Å; A169-V171 HydrophobicContact CB-CG2 4.22Å; V171-L175 HydrophobicContact CG1-CB 4.3Å; V171-L175 WeakPolarHBondContact CG1-O 3.38Å; V171-A177 HydrophobicContact CG2-CB 4.06Å; V171-F204 WeakPolarHBondContact O-CZ 3.31Å | ||
| 172 | K | 86.7 | Confident | 90.1 | Very high | 144 Ų | 144 | 57.9 Ų | 57.9 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | trans | -64.3 | 154.7 | 174.6 | -60.7 | -176 | 177.8 | -175.4 | 0 | 110.2 | D174 L175 | K172-D174 VanDerWaalsContact C-N 3.28Å; K172-D174 PolarHBondContact O-N 3.48Å; K172-L175 HydrophobicContact CB-CD1 4.12Å; K172-L175 HydrophobicContact CB-CG 4.29Å; K172-L175 HydrophobicContact CD-CD1 4.43Å; K172-L175 HydrophobicContact CG-CD1 4.46Å; K172-L175 PolarHBondContact O-N 3.4Å | ||
| 173 | E | 75.4 | Confident | 89.9 | Confident | 139 Ų | 139 | 60 Ų | 60 | 65% | 0.65 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -38.4 | -170.6 | -61.5 | -169.4 | 159.6 | 0 | 0 | 114.3 | H141 L175 | H141-E173 IonicContact CE1-OE1 3.35Å; E173-L175 VanDerWaalsContact C-N 3.28Å; E173-L175 PolarHBondContact O-N 3.27Å |
| 174 | D | 80.1 | Confident | 89.8 | Confident | 162 Ų | 162 | 61.5 Ų | 61.5 | 87% | 0.866 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -2.3 | -179.9 | -56.8 | -44.1 | 0 | 0 | 0 | 114 | K172 | K172-D174 VanDerWaalsContact C-N 3.28Å; K172-D174 PolarHBondContact O-N 3.48Å |
| 175 | L | 87.4 | Confident | 89.9 | Confident | 100 Ų | 100 | 60.1 Ų | 60.1 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | trans | -108.7 | 153.8 | -175.6 | -61.5 | -178.9 | 0 | 0 | 0 | 111.3 | V171 K172 E173 | V171-L175 HydrophobicContact CG1-CB 4.3Å; V171-L175 WeakPolarHBondContact CG1-O 3.38Å; K172-L175 HydrophobicContact CB-CD1 4.12Å; K172-L175 HydrophobicContact CB-CG 4.29Å; K172-L175 HydrophobicContact CD-CD1 4.43Å; K172-L175 HydrophobicContact CG-CD1 4.46Å; K172-L175 PolarHBondContact O-N 3.4Å; E173-L175 VanDerWaalsContact C-N 3.28Å; E173-L175 PolarHBondContact O-N 3.27Å | ||
| 176 | K | 87.8 | Confident | 90 | Very high | 106 Ų | 106 | 60.1 Ų | 60.1 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | trans | -119.7 | 143 | 172.4 | -61.4 | -169.5 | 177.6 | -169 | 0 | 110.2 | P200 Y202 | K176-P200 HydrophobicContact CD-CG 4.39Å; K176-Y202 WeakPolarHBondContact CA-O 3.31Å | ||
| 177 | A | 88.5 | Confident | 90.2 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -80 | 144.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V171 G201 Y202 | V171-A177 HydrophobicContact CG2-CB 4.06Å; A177-G201 CarbonylContact O-C 3.47Å; A177-G201 VanDerWaalsContact O-CA 3.24Å; A177-G201 WeakPolarHBondContact O-CA 3.49Å; A177-Y202 HydrophobicContact CB-CD1 4.44Å; A177-Y202 HydrophobicContact CB-CD2 4.11Å; A177-Y202 HydrophobicContact CB-CE1 3.94Å; A177-Y202 HydrophobicContact CB-CE2 3.56Å; A177-Y202 VanDerWaalsContact CB-CZ 3.46Å; A177-Y202 PolarHBondContact N-O 2.86Å; A177-Y202 WeakPolarHBondContact O-CD1 3.38Å; A177-Y202 WeakPolarHBondContact O-CE1 3.45Å; A177-Y202 PolarHBondContact O-N 2.67Å |
| 178 | T | 86.3 | Confident | 90.3 | Very high | 93 Ų | 93 | 55.5 Ų | 55.5 | 57% | 0.571 | 30% | 0.298 | S | S | * | . | trans | -121.4 | -20.9 | -179.7 | 54.8 | 0 | 0 | 0 | 0 | 113 | I180 | T178-I180 PolarHBondContact O-N 2.99Š| ||
| 179 | S | 88.1 | Confident | 90.2 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -68.1 | 130.5 | 178.3 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | R145 A181 Y202 | R145-S179 PolarHBondContact NH1-OG 3.45Å; S179-A181 PolarHBondContact O-N 3.24Å; S179-Y202 VanDerWaalsContact O-CE1 3.29Å; S179-Y202 WeakPolarHBondContact O-CE1 3.47Å; S179-Y202 PolarHBondContact O-OH 3.29Å |
| 180 | I | 87.2 | Confident | 90.2 | Very high | 58 Ų | 58 | 55.2 Ų | 55.2 | 30% | 0.297 | 30% | 0.296 | S | S | . | . | trans | -74.8 | 123.1 | 167.6 | -68.9 | -172.4 | 0 | 0 | 0 | 108.9 | T178 M187 L191 F192 F195 | T178-I180 PolarHBondContact O-N 2.99Å; I180-M187 HydrophobicContact CG2-CE 3.89Å; I180-M187 HydrophobicContact CG2-SD 4.1Å; I180-L191 WeakPolarHBondContact CG1-O 3.31Å; I180-F192 HydrophobicContact CD1-CD1 4.43Å; I180-F195 HydrophobicContact CD1-CB 3.17Å; I180-F195 HydrophobicContact CD1-CD1 4.06Å; I180-F195 HydrophobicContact CD1-CD2 3.71Å; I180-F195 HydrophobicContact CD1-CG 3.38Å; I180-F195 HydrophobicContact CG1-CB 3.72Å; I180-F195 HydrophobicContact CG1-CD2 4.06Å; I180-F195 HydrophobicContact CG1-CG 4.11Å | ||
| 181 | A | 90.2 | Very high | 90.1 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | trans | -150.4 | 147 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | I167 S179 M187 | I167-A181 HydrophobicContact CB-CB 4.45Å; I167-A181 HydrophobicContact CD1-CB 4.17Å; S179-A181 PolarHBondContact O-N 3.24Å; A181-M187 VanDerWaalsContact C-CE 3.43Å | ||
| 182 | G | 92.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 50.8 Ų | 50.8 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 130.9 | -174.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R145 I167 M187 | R145-G182 VanDerWaalsContact O-CA 3.28Å; R145-G182 WeakPolarHBondContact O-CA 3.33Å; I167-G182 VanDerWaalsContact CD1-N 3.29Å; G182-M187 VanDerWaalsContact N-CE 3.34Å; G182-M187 WeakPolarHBondContact O-CE 3.39Å |
| 183 | T | 93.8 | Very high | 90 | Very high | 45 Ų | 45 | 46 Ų | 46 | 28% | 0.276 | 25% | 0.252 | S | S | . | . | trans | -97.1 | 110.9 | 175.6 | -51.3 | 0 | 0 | 0 | 0 | 109.8 | D146 K148 P185 Y186 M187 | D146-T183 WeakPolarHBondContact OD1-CB 3.48Å; D146-T183 PolarHBondContact OD1-N 2.92Å; D146-T183 VanDerWaalsContact OD1-N 3.1Å; D146-T183 PolarHBondContact OD1-OG1 2.85Å; K148-T183 HydrophobicContact CD-CG2 4.35Å; K148-T183 WeakPolarHBondContact CD-OG1 3.49Å; K148-T183 PolarHBondContact NZ-OG1 3.34Å; T183-P185 WeakPolarHBondContact O-CD 3.47Å; T183-Y186 HydrophobicContact CG2-CD2 4.05Å; T183-Y186 HydrophobicContact CG2-CE2 4.37Å; T183-Y186 PolarHBondContact O-N 3.46Å; T183-M187 PolarHBondContact O-N 3.16Å | ||
| 184 | K | 94.3 | Very high | 90 | Very high | 59 Ų | 59 | 40.1 Ų | 40.1 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -40.8 | -46.7 | -169.6 | -69.5 | -176.6 | 179 | 175.7 | 0 | 116.4 | Y186 M187 F192 S229 T231 I236 | K184-Y186 PolarHBondContact O-N 2.92Å; K184-Y186 VanDerWaalsContact O-N 3.12Å; K184-M187 HydrophobicContact CG-CE 4.44Å; K184-M187 HydrophobicContact CG-SD 4.34Å; K184-M187 PolarHBondContact O-N 3.31Å; K184-M187 VanDerWaalsContact O-N 3.13Å; K184-F192 HydrophobicContact CG-CE1 4.48Å; K184-S229 WeakPolarHBondContact CD-O 3.32Å; K184-S229 VanDerWaalsContact CE-O 3.28Å; K184-S229 WeakPolarHBondContact CE-O 3.43Å; K184-S229 PolarHBondContact NZ-O 3.02Å; K184-T231 PolarHBondContact NZ-O 3.45Å; K184-I236 HydrophobicContact CB-CD1 4.44Å; K184-I236 HydrophobicContact CD-CD1 4.01Å |
| 185 | P | 94.9 | Very high | 89.7 | Confident | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.071 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -65.5 | -13.5 | -178.4 | -22.1 | 37 | 0 | 0 | 0 | 115.1 | T183 M227 | T183-P185 WeakPolarHBondContact O-CD 3.47Å; P185-M227 HydrophobicContact CB-CB 4.32Å; P185-M227 HydrophobicContact CG-CB 4.16Å |
| 186 | Y | 96.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -107.5 | -8.1 | 177.5 | -59.2 | -87.7 | 0 | 0 | 0 | 112.7 | R109 K148 T183 K184 S210 I213 E217 | R109-Y186 PolarHBondContact NH2-OH 3.14Å; K148-Y186 HydrophobicContact CB-CD1 3.86Å; K148-Y186 HydrophobicContact CB-CD2 3.75Å; K148-Y186 HydrophobicContact CB-CE1 3.87Å; K148-Y186 HydrophobicContact CB-CE2 3.73Å; K148-Y186 HydrophobicContact CB-CG 3.83Å; K148-Y186 HydrophobicContact CD-CD2 4.46Å; T183-Y186 HydrophobicContact CG2-CD2 4.05Å; T183-Y186 HydrophobicContact CG2-CE2 4.37Å; T183-Y186 PolarHBondContact O-N 3.46Å; K184-Y186 PolarHBondContact O-N 2.92Å; K184-Y186 VanDerWaalsContact O-N 3.12Å; Y186-S210 WeakPolarHBondContact O-CB 3.41Å; Y186-S210 PolarHBondContact O-OG 3.32Å; Y186-I213 HydrophobicContact CD1-CB 3.95Å; Y186-I213 HydrophobicContact CD1-CG2 3.4Å; Y186-I213 VanDerWaalsContact CD1-CG2 3.4Å; Y186-I213 HydrophobicContact CE1-CG2 3.64Å; Y186-I213 HydrophobicContact CG-CG2 4.24Å; Y186-E217 WeakPolarHBondContact CE1-OE2 3.26Å; Y186-E217 VanDerWaalsContact CZ-OE2 3.32Å; Y186-E217 VanDerWaalsContact OH-CD 3.3Å; Y186-E217 PolarHBondContact OH-OE1 2.86Å; Y186-E217 PolarHBondContact OH-OE2 3.32Å |
| 187 | M | 96.3 | Very high | 88.4 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.044 | 22% | 0.221 | C | C | . | . | trans | -71.3 | 140.8 | -179.6 | -69 | -176.6 | -179.7 | 0 | 0 | 111 | I180 A181 G182 T183 K184 L191 F192 W209 | I180-M187 HydrophobicContact CG2-CE 3.89Å; I180-M187 HydrophobicContact CG2-SD 4.1Å; A181-M187 VanDerWaalsContact C-CE 3.43Å; G182-M187 VanDerWaalsContact N-CE 3.34Å; G182-M187 WeakPolarHBondContact O-CE 3.39Å; T183-M187 PolarHBondContact O-N 3.16Å; K184-M187 HydrophobicContact CG-CE 4.44Å; K184-M187 HydrophobicContact CG-SD 4.34Å; K184-M187 PolarHBondContact O-N 3.31Å; K184-M187 VanDerWaalsContact O-N 3.13Å; M187-L191 HydrophobicContact CB-CD2 4.41Å; M187-L191 HydrophobicContact CG-CD2 4.17Å; M187-L191 HydrophobicContact SD-CD2 4.2Å; M187-F192 HydrophobicContact CB-CE2 3.58Å; M187-F192 HydrophobicContact CB-CZ 3.66Å; M187-F192 HydrophobicContact CG-CZ 4.22Å; M187-F192 HydrophobicContact SD-CE1 3.92Å; M187-F192 HydrophobicContact SD-CE2 4.25Å; M187-F192 HydrophobicContact SD-CZ 3.53Å; M187-F192 VanDerWaalsContact SD-CZ 3.53Å; M187-W209 PolarHBondContact O-NE1 3.22Å; M187-W209 VanDerWaalsContact O-NE1 3.15Å | ||
| 188 | A | 95.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -71.9 | 152.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E190 L191 V206 W209 | A188-E190 VanDerWaalsContact C-N 3.25Å; A188-E190 VanDerWaalsContact CB-CD 3.49Å; A188-E190 HydrophobicContact CB-CG 4.44Å; A188-E190 WeakPolarHBondContact CB-OE2 3.37Å; A188-E190 PolarHBondContact O-N 2.9Å; A188-L191 HydrophobicContact CB-CD1 3.76Å; A188-L191 WeakPolarHBondContact O-CD1 3.48Å; A188-L191 PolarHBondContact O-N 3.14Å; A188-V206 HydrophobicContact CB-CB 4.14Å; A188-V206 HydrophobicContact CB-CG1 4.11Å; A188-W209 VanDerWaalsContact CA-CD1 3.43Å; A188-W209 HydrophobicContact CB-CB 3.74Å; A188-W209 HydrophobicContact CB-CD2 4.15Å; A188-W209 HydrophobicContact CB-CG 3.6Å | ||
| 189 | P | 94.1 | Very high | 87 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.2 | -38.9 | -179 | -25.8 | 33.7 | 0 | 0 | 0 | 113.8 | L191 F192 Q193 W209 F240 I265 | P189-L191 PolarHBondContact O-N 3.43Å; P189-F192 PolarHBondContact O-N 3.04Å; P189-F192 VanDerWaalsContact O-N 3.09Å; P189-Q193 PolarHBondContact O-N 2.79Å; P189-W209 HydrophobicContact CG-CH2 3.74Å; P189-W209 HydrophobicContact CG-CZ2 4.01Å; P189-W209 HydrophobicContact CG-CZ3 4.05Å; P189-F240 HydrophobicContact CB-CD2 3.72Å; P189-F240 HydrophobicContact CB-CE2 3.98Å; P189-F240 HydrophobicContact CB-CG 4.37Å; P189-F240 HydrophobicContact CG-CB 4.49Å; P189-F240 HydrophobicContact CG-CD1 4.33Å; P189-F240 HydrophobicContact CG-CD2 3.68Å; P189-F240 HydrophobicContact CG-CE1 4.48Å; P189-F240 HydrophobicContact CG-CE2 3.83Å; P189-F240 HydrophobicContact CG-CG 3.94Å; P189-F240 HydrophobicContact CG-CZ 4.23Å; P189-I265 HydrophobicContact CB-CG2 4.37Å; P189-I265 HydrophobicContact CG-CG1 4.39Å; P189-I265 HydrophobicContact CG-CG2 4.17Å |
| 190 | E | 93.3 | Very high | 86.6 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -23.1 | -176.4 | 64.3 | -92 | -149 | 0 | 0 | 113.9 | A188 F192 Q193 S194 S205 V206 V267 R270 | A188-E190 VanDerWaalsContact C-N 3.25Å; A188-E190 VanDerWaalsContact CB-CD 3.49Å; A188-E190 HydrophobicContact CB-CG 4.44Å; A188-E190 WeakPolarHBondContact CB-OE2 3.37Å; A188-E190 PolarHBondContact O-N 2.9Å; E190-F192 VanDerWaalsContact C-N 3.29Å; E190-F192 PolarHBondContact O-N 3.39Å; E190-Q193 PolarHBondContact O-N 3.09Å; E190-S194 WeakPolarHBondContact O-CB 3.36Å; E190-S194 PolarHBondContact O-N 3.03Å; E190-S194 PolarHBondContact O-OG 3.49Å; E190-S205 PolarHBondContact OE1-OG 3.01Å; E190-V206 HydrophobicContact CG-CG1 4.01Å; E190-V206 WeakPolarHBondContact OE1-CG1 3.45Å; E190-V267 HydrophobicContact CB-CG2 4.01Å; E190-V267 HydrophobicContact CG-CG2 4.06Å; E190-R270 IonicContact OE1-CZ 3.96Å; E190-R270 IonicContact OE1-NH1 3.67Å; E190-R270 PolarHBondContact OE1-NH1 2.93Å; E190-R270 IonicContact OE1-NH2 2.86Å; E190-R270 IonicContact OE2-CZ 2.74Å; E190-R270 IonicContact OE2-NH1 2.67Å; E190-R270 PolarHBondContact OE2-NH1 3.35Å; E190-R270 IonicContact OE2-NH2 2.95Å; E190-R270 PolarHBondContact OE2-NH2 3.08Å |
| 191 | L | 92.5 | Very high | 86.6 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -38.9 | 173.8 | -78 | 89.5 | 0 | 0 | 0 | 111.3 | I180 M187 A188 P189 F195 Y202 V206 | I180-L191 WeakPolarHBondContact CG1-O 3.31Å; M187-L191 HydrophobicContact CB-CD2 4.41Å; M187-L191 HydrophobicContact CG-CD2 4.17Å; M187-L191 HydrophobicContact SD-CD2 4.2Å; A188-L191 HydrophobicContact CB-CD1 3.76Å; A188-L191 WeakPolarHBondContact O-CD1 3.48Å; A188-L191 PolarHBondContact O-N 3.14Å; P189-L191 PolarHBondContact O-N 3.43Å; L191-F195 PolarHBondContact O-N 3.4Å; L191-Y202 HydrophobicContact CD2-CE1 4.38Å; L191-Y202 HydrophobicContact CG-CD1 3.99Å; L191-Y202 HydrophobicContact CG-CE1 4.08Å; L191-Y202 HydrophobicContact CG-CG 4.23Å; L191-V206 HydrophobicContact CD1-CB 3.78Å; L191-V206 HydrophobicContact CD1-CG1 3.38Å; L191-V206 HydrophobicContact CG-CG1 4.39Å |
| 192 | F | 89.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -77.6 | -36.7 | -179.6 | -55.7 | -80.2 | 0 | 0 | 0 | 111.3 | I180 K184 M187 P189 E190 F195 E196 I236 L237 F240 | I180-F192 HydrophobicContact CD1-CD1 4.43Å; K184-F192 HydrophobicContact CG-CE1 4.48Å; M187-F192 HydrophobicContact CB-CE2 3.58Å; M187-F192 HydrophobicContact CB-CZ 3.66Å; M187-F192 HydrophobicContact CG-CZ 4.22Å; M187-F192 HydrophobicContact SD-CE1 3.92Å; M187-F192 HydrophobicContact SD-CE2 4.25Å; M187-F192 HydrophobicContact SD-CZ 3.53Å; M187-F192 VanDerWaalsContact SD-CZ 3.53Å; P189-F192 PolarHBondContact O-N 3.04Å; P189-F192 VanDerWaalsContact O-N 3.09Å; E190-F192 VanDerWaalsContact C-N 3.29Å; E190-F192 PolarHBondContact O-N 3.39Å; F192-F195 PolarHBondContact O-N 3.17Å; F192-E196 PolarHBondContact O-N 3.28Å; F192-E196 VanDerWaalsContact O-N 3.17Å; F192-I236 HydrophobicContact CD1-CD1 4.3Å; F192-I236 HydrophobicContact CD1-CG2 4.29Å; F192-I236 HydrophobicContact CD2-CG2 3.72Å; F192-I236 HydrophobicContact CE1-CD1 3.61Å; F192-I236 HydrophobicContact CE1-CG2 4.14Å; F192-I236 HydrophobicContact CE2-CG2 3.55Å; F192-I236 HydrophobicContact CG-CG2 4.09Å; F192-I236 HydrophobicContact CZ-CD1 3.83Å; F192-I236 HydrophobicContact CZ-CG2 3.77Å; F192-L237 HydrophobicContact CB-CD1 4.14Å; F192-L237 HydrophobicContact CB-CD2 3.85Å; F192-L237 HydrophobicContact CB-CG 3.87Å; F192-F240 HydrophobicContact CD2-CE2 4.06Å; F192-F240 HydrophobicContact CE2-CE2 4.06Å; F192-F240 HydrophobicContact CE2-CZ 4.47Å |
| 193 | Q | 84.3 | Confident | 86.7 | Confident | 44 Ų | 44 | 36.7 Ų | 36.7 | 21% | 0.206 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 175.9 | -63.5 | 172.8 | -20 | 0 | 0 | 111.8 | P189 E190 F195 E196 G197 S198 H199 L237 | P189-Q193 PolarHBondContact O-N 2.79Å; E190-Q193 PolarHBondContact O-N 3.09Å; Q193-F195 VanDerWaalsContact C-N 3.31Å; Q193-F195 PolarHBondContact O-N 3.15Å; Q193-E196 PolarHBondContact O-N 3.11Å; Q193-G197 PolarHBondContact O-N 3.22Å; Q193-S198 WeakPolarHBondContact CA-OG 3.39Å; Q193-S198 WeakPolarHBondContact CB-OG 3.47Å; Q193-S198 PolarHBondContact O-N 2.99Å; Q193-S198 PolarHBondContact O-OG 2.9Å; Q193-H199 HydrophobicContact CB-CB 3.73Å; Q193-H199 PolarHBondContact O-N 3.35Å; Q193-L237 HydrophobicContact CG-CD1 4.27Å; Q193-L237 HydrophobicContact CG-CD2 3.66Å |
| 194 | S | 75.5 | Confident | 86.8 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -36.1 | 176.7 | -72.9 | 0 | 0 | 0 | 0 | 113.6 | E190 G197 H199 G201 | E190-S194 WeakPolarHBondContact O-CB 3.36Å; E190-S194 PolarHBondContact O-N 3.03Å; E190-S194 PolarHBondContact O-OG 3.49Å; S194-G197 PolarHBondContact O-N 2.89Å; S194-G197 VanDerWaalsContact O-N 3.17Å; S194-H199 VanDerWaalsContact CA-O 3.32Å; S194-H199 WeakPolarHBondContact CA-O 3.29Å; S194-H199 PolarHBondContact OG-O 3.23Å; S194-H199 VanDerWaalsContact OG-O 3.11Å; S194-G201 VanDerWaalsContact OG-C 3.31Å; S194-G201 WeakPolarHBondContact OG-CA 3.06Å; S194-G201 PolarHBondContact OG-N 3.16Å; S194-G201 VanDerWaalsContact OG-N 3.14Å |
| 195 | F | 74.3 | Confident | 86.9 | Confident | 138 Ų | 138 | 32.8 Ų | 32.8 | 61% | 0.605 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -69.8 | -33.9 | 175.8 | 179.4 | -97.6 | 0 | 0 | 0 | 113.3 | I180 L191 F192 Q193 G197 | I180-F195 HydrophobicContact CD1-CB 3.17Å; I180-F195 HydrophobicContact CD1-CD1 4.06Å; I180-F195 HydrophobicContact CD1-CD2 3.71Å; I180-F195 HydrophobicContact CD1-CG 3.38Å; I180-F195 HydrophobicContact CG1-CB 3.72Å; I180-F195 HydrophobicContact CG1-CD2 4.06Å; I180-F195 HydrophobicContact CG1-CG 4.11Å; L191-F195 PolarHBondContact O-N 3.4Å; F192-F195 PolarHBondContact O-N 3.17Å; Q193-F195 VanDerWaalsContact C-N 3.31Å; Q193-F195 PolarHBondContact O-N 3.15Å; F195-G197 PolarHBondContact O-N 3.49Å |
| 196 | E | 74.3 | Confident | 87 | Confident | 97 Ų | 97 | 32.4 Ų | 32.4 | 45% | 0.453 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 1.1 | 172.7 | -67.5 | -174.4 | 175.9 | 0 | 0 | 112.9 | F192 Q193 S198 N234 L237 | F192-E196 PolarHBondContact O-N 3.28Å; F192-E196 VanDerWaalsContact O-N 3.17Å; Q193-E196 PolarHBondContact O-N 3.11Å; E196-S198 PolarHBondContact O-N 3.3Å; E196-N234 PolarHBondContact OE1-N 3.36Å; E196-L237 VanDerWaalsContact OE2-CD1 3.3Å; E196-L237 WeakPolarHBondContact OE2-CD1 3.45Å |
| 197 | G | 73.3 | Confident | 87.1 | Confident | 66 Ų | 66 | 32.5 Ų | 32.5 | 68% | 0.68 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 8.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q193 S194 F195 | Q193-G197 PolarHBondContact O-N 3.22Å; S194-G197 PolarHBondContact O-N 2.89Å; S194-G197 VanDerWaalsContact O-N 3.17Å; F195-G197 PolarHBondContact O-N 3.49Å |
| 198 | S | 71.4 | Confident | 87.2 | Confident | 82 Ų | 82 | 32.2 Ų | 32.2 | 57% | 0.573 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -88.8 | -7 | -179.1 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | Q193 E196 | Q193-S198 WeakPolarHBondContact CA-OG 3.39Å; Q193-S198 WeakPolarHBondContact CB-OG 3.47Å; Q193-S198 PolarHBondContact O-N 2.99Å; Q193-S198 PolarHBondContact O-OG 2.9Å; E196-S198 PolarHBondContact O-N 3.3Å |
| 199 | H | 75.1 | Confident | 87.3 | Confident | 60 Ų | 60 | 32.2 Ų | 32.2 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -139.9 | 138.9 | 177.3 | -153.8 | 54.5 | 0 | 0 | 0 | 111.5 | Q193 S194 G201 | Q193-H199 HydrophobicContact CB-CB 3.73Å; Q193-H199 PolarHBondContact O-N 3.35Å; S194-H199 VanDerWaalsContact CA-O 3.32Å; S194-H199 WeakPolarHBondContact CA-O 3.29Å; S194-H199 PolarHBondContact OG-O 3.23Å; S194-H199 VanDerWaalsContact OG-O 3.11Å; H199-G201 PolarHBondContact CD2-O 2.86Å; H199-G201 VanDerWaalsContact CD2-O 3.3Å; H199-G201 PolarHBondContact O-N 2.83Å |
| 200 | P | 78.9 | Confident | 87.5 | Confident | 92 Ų | 92 | 32.3 Ų | 32.3 | 60% | 0.597 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -69.2 | -2.9 | -170.1 | 28.3 | -36 | 0 | 0 | 0 | 115 | K176 | K176-P200 HydrophobicContact CD-CG 4.39Š|
| 201 | G | 87.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | trans | 138 | -179.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A177 S194 H199 | A177-G201 CarbonylContact O-C 3.47Å; A177-G201 VanDerWaalsContact O-CA 3.24Å; A177-G201 WeakPolarHBondContact O-CA 3.49Å; S194-G201 VanDerWaalsContact OG-C 3.31Å; S194-G201 WeakPolarHBondContact OG-CA 3.06Å; S194-G201 PolarHBondContact OG-N 3.16Å; S194-G201 VanDerWaalsContact OG-N 3.14Å; H199-G201 PolarHBondContact CD2-O 2.86Å; H199-G201 VanDerWaalsContact CD2-O 3.3Å; H199-G201 PolarHBondContact O-N 2.83Å | ||
| 202 | Y | 91.8 | Very high | 88.1 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -123 | 166.3 | 175.9 | 64.5 | -91.4 | 0 | 0 | 0 | 111.9 | I143 R145 K176 A177 S179 L191 V206 | I143-Y202 HydrophobicContact CD1-CD2 4.47Å; I143-Y202 HydrophobicContact CD1-CE2 4.43Å; R145-Y202 WeakPolarHBondContact CD-OH 3.48Å; R145-Y202 HydrophobicContact CG-CE2 4.43Å; R145-Y202 PolarHBondContact NH1-OH 3.39Å; K176-Y202 WeakPolarHBondContact CA-O 3.31Å; A177-Y202 HydrophobicContact CB-CD1 4.44Å; A177-Y202 HydrophobicContact CB-CD2 4.11Å; A177-Y202 HydrophobicContact CB-CE1 3.94Å; A177-Y202 HydrophobicContact CB-CE2 3.56Å; A177-Y202 VanDerWaalsContact CB-CZ 3.46Å; A177-Y202 PolarHBondContact N-O 2.86Å; A177-Y202 WeakPolarHBondContact O-CD1 3.38Å; A177-Y202 WeakPolarHBondContact O-CE1 3.45Å; A177-Y202 PolarHBondContact O-N 2.67Å; S179-Y202 VanDerWaalsContact O-CE1 3.29Å; S179-Y202 WeakPolarHBondContact O-CE1 3.47Å; S179-Y202 PolarHBondContact O-OH 3.29Å; L191-Y202 HydrophobicContact CD2-CE1 4.38Å; L191-Y202 HydrophobicContact CG-CD1 3.99Å; L191-Y202 HydrophobicContact CG-CE1 4.08Å; L191-Y202 HydrophobicContact CG-CG 4.23Å; Y202-V206 HydrophobicContact CD2-CB 4.48Å; Y202-V206 HydrophobicContact CD2-CG1 3.66Å; Y202-V206 HydrophobicContact CD2-CG2 4.03Å; Y202-V206 HydrophobicContact CE2-CG2 4.38Å; Y202-V206 HydrophobicContact CG-CG1 3.92Å |
| 203 | S | 93.3 | Very high | 88.5 | Confident | 33 Ų | 33 | 32.1 Ų | 32.1 | 23% | 0.231 | 19% | 0.19 | C | C | . | . | trans | -139.2 | -156 | -179.5 | -168.7 | 0 | 0 | 0 | 0 | 109.8 | S205 V206 | S203-S205 PolarHBondContact O-N 2.91Å; S203-S205 VanDerWaalsContact O-N 3.09Å; S203-V206 WeakPolarHBondContact O-CG2 3.33Å; S203-V206 PolarHBondContact O-N 3.46Å | ||
| 204 | F | 95.4 | Very high | 89.2 | Confident | 11 Ų | 11 | 30.1 Ų | 30.1 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.6 | -172.8 | -52.5 | -79.2 | 0 | 0 | 0 | 114.9 | R138 I143 V171 V206 D207 | R138-F204 HydrophobicContact CB-CD1 4.18Å; R138-F204 HydrophobicContact CB-CG 4.41Å; R138-F204 HydrophobicContact CG-CD1 4.14Å; R138-F204 HydrophobicContact CG-CD2 4.1Å; R138-F204 HydrophobicContact CG-CE1 4.37Å; R138-F204 HydrophobicContact CG-CE2 4.32Å; R138-F204 HydrophobicContact CG-CG 4.02Å; R138-F204 HydrophobicContact CG-CZ 4.45Å; I143-F204 HydrophobicContact CG1-CD1 3.66Å; I143-F204 HydrophobicContact CG1-CE1 3.84Å; I143-F204 HydrophobicContact CG1-CG 4.38Å; V171-F204 WeakPolarHBondContact O-CZ 3.31Å; F204-V206 PolarHBondContact O-N 2.98Å; F204-V206 VanDerWaalsContact O-N 3.08Å; F204-D207 PolarHBondContact O-N 3.31Å |
| 205 | S | 95.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 29.6 Ų | 29.6 | 8% | 0.077 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.9 | -19.9 | -179.9 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | E190 S203 W208 W209 R270 | E190-S205 PolarHBondContact OE1-OG 3.01Å; S203-S205 PolarHBondContact O-N 2.91Å; S203-S205 VanDerWaalsContact O-N 3.09Å; S205-W208 PolarHBondContact O-N 2.86Å; S205-W209 PolarHBondContact O-N 2.68Å; S205-R270 PolarHBondContact O-NH1 3.37Å |
| 206 | V | 97.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.1 | -35.7 | -179.5 | -57.5 | 0 | 0 | 0 | 0 | 112 | I143 A188 E190 L191 Y202 S203 F204 W208 W209 S210 | I143-V206 HydrophobicContact CG2-CG2 3.58Å; A188-V206 HydrophobicContact CB-CB 4.14Å; A188-V206 HydrophobicContact CB-CG1 4.11Å; E190-V206 HydrophobicContact CG-CG1 4.01Å; E190-V206 WeakPolarHBondContact OE1-CG1 3.45Å; L191-V206 HydrophobicContact CD1-CB 3.78Å; L191-V206 HydrophobicContact CD1-CG1 3.38Å; L191-V206 HydrophobicContact CG-CG1 4.39Å; Y202-V206 HydrophobicContact CD2-CB 4.48Å; Y202-V206 HydrophobicContact CD2-CG1 3.66Å; Y202-V206 HydrophobicContact CD2-CG2 4.03Å; Y202-V206 HydrophobicContact CE2-CG2 4.38Å; Y202-V206 HydrophobicContact CG-CG1 3.92Å; S203-V206 WeakPolarHBondContact O-CG2 3.33Å; S203-V206 PolarHBondContact O-N 3.46Å; F204-V206 PolarHBondContact O-N 2.98Å; F204-V206 VanDerWaalsContact O-N 3.08Å; V206-W208 VanDerWaalsContact C-N 3.33Å; V206-W208 PolarHBondContact O-N 3.47Å; V206-W209 WeakPolarHBondContact O-CB 3.27Å; V206-W209 PolarHBondContact O-N 3.03Å; V206-S210 PolarHBondContact O-N 3.15Å; V206-S210 VanDerWaalsContact O-N 3.08Å; V206-S210 PolarHBondContact O-OG 3.06Å |
| 207 | D | 98.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.027 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.7 | -34.3 | 179.8 | -77.7 | -17.8 | 0 | 0 | 0 | 111.1 | L134 I143 H144 R145 I147 F204 S210 L211 | L134-D207 HydrophobicContact CD1-CB 4.11Å; L134-D207 HydrophobicContact CD2-CB 4.08Å; I143-D207 WeakPolarHBondContact CG2-OD2 3.5Å; H144-D207 PolarHBondContact N-OD2 2.74Å; R145-D207 PolarHBondContact N-OD1 2.78Å; I147-D207 HydrophobicContact CD1-CB 3.48Å; I147-D207 VanDerWaalsContact CD1-CB 3.48Å; I147-D207 WeakPolarHBondContact CD1-O 3.32Å; F204-D207 PolarHBondContact O-N 3.31Å; D207-S210 PolarHBondContact O-N 3.27Å; D207-L211 WeakPolarHBondContact O-CB 3.32Å; D207-L211 PolarHBondContact O-N 3.11Å |
| 208 | W | 98.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 16 Ų | 16 | 1% | 0.011 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.7 | -36.3 | 174.8 | -67.7 | 85.2 | 0 | 0 | 0 | 112.7 | A131 L134 S205 V206 L211 G212 L262 I271 S272 C273 L274 L277 | A131-W208 HydrophobicContact CB-CH2 3.74Å; A131-W208 HydrophobicContact CB-CZ3 3.91Å; L134-W208 HydrophobicContact CB-CZ2 4.01Å; L134-W208 HydrophobicContact CD1-CD2 4.14Å; L134-W208 HydrophobicContact CD1-CG 4.28Å; S205-W208 PolarHBondContact O-N 2.86Å; V206-W208 VanDerWaalsContact C-N 3.33Å; V206-W208 PolarHBondContact O-N 3.47Å; W208-L211 PolarHBondContact O-N 3.35Å; W208-G212 PolarHBondContact O-N 3Å; W208-L262 HydrophobicContact CB-CD2 4.44Å; W208-L262 HydrophobicContact CE3-CD2 3.94Å; W208-I271 WeakPolarHBondContact CB-O 3.07Å; W208-I271 HydrophobicContact CD2-CG2 4.35Å; W208-I271 HydrophobicContact CE3-CG2 3.65Å; W208-I271 HydrophobicContact CZ3-CG2 3.85Å; W208-S272 PolarHBondContact NE1-O 2.87Å; W208-C273 VanDerWaalsContact CH2-C 3.4Å; W208-C273 WeakPolarHBondContact CH2-O 3.44Å; W208-C273 VanDerWaalsContact CZ2-CA 3.5Å; W208-L274 HydrophobicContact CH2-CB 4.43Å; W208-L277 HydrophobicContact CH2-CB 4.42Å; W208-L277 HydrophobicContact CZ3-CB 4.03Å; W208-L277 HydrophobicContact CZ3-CD2 4.02Å; W208-L277 HydrophobicContact CZ3-CG 4.46Å |
| 209 | W | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63 | -48.7 | 170.5 | 171.6 | -82.3 | 0 | 0 | 0 | 111.3 | M187 A188 P189 S205 V206 L211 G212 I213 Y225 F240 L263 I265 | M187-W209 PolarHBondContact O-NE1 3.22Å; M187-W209 VanDerWaalsContact O-NE1 3.15Å; A188-W209 VanDerWaalsContact CA-CD1 3.43Å; A188-W209 HydrophobicContact CB-CB 3.74Å; A188-W209 HydrophobicContact CB-CD2 4.15Å; A188-W209 HydrophobicContact CB-CG 3.6Å; P189-W209 HydrophobicContact CG-CH2 3.74Å; P189-W209 HydrophobicContact CG-CZ2 4.01Å; P189-W209 HydrophobicContact CG-CZ3 4.05Å; S205-W209 PolarHBondContact O-N 2.68Å; V206-W209 WeakPolarHBondContact O-CB 3.27Å; V206-W209 PolarHBondContact O-N 3.03Å; W209-L211 VanDerWaalsContact C-N 3.27Å; W209-L211 PolarHBondContact O-N 3.07Å; W209-G212 CarbonylContact O-C 3.54Å; W209-G212 WeakPolarHBondContact O-CA 3.34Å; W209-G212 PolarHBondContact O-N 2.98Å; W209-I213 HydrophobicContact CZ2-CD1 4.26Å; W209-I213 PolarHBondContact O-N 3.41Å; W209-Y225 HydrophobicContact CH2-CE2 4.17Å; W209-Y225 AromaticContact CZ2-CE2 3.92Å; W209-Y225 HydrophobicContact CZ2-CE2 3.92Å; W209-F240 HydrophobicContact CH2-CD1 4.3Å; W209-F240 HydrophobicContact CH2-CE1 4.26Å; W209-F240 HydrophobicContact CZ2-CD1 4.07Å; W209-F240 AromaticContact CZ2-CE1 3.59Å; W209-F240 HydrophobicContact CZ2-CE1 3.59Å; W209-F240 HydrophobicContact CZ2-CZ 4.1Å; W209-L263 HydrophobicContact CD2-CD2 4.18Å; W209-L263 HydrophobicContact CE3-CD2 4.34Å; W209-L263 VanDerWaalsContact CZ3-C 3.43Å; W209-L263 HydrophobicContact CZ3-CB 4.4Å; W209-L263 WeakPolarHBondContact CZ3-O 3.22Å; W209-I265 HydrophobicContact CH2-CG1 4.06Å; W209-I265 HydrophobicContact CZ3-CG1 4.16Å |
| 210 | S | 98.6 | Very high | 96 | Very high | 5 Ų | 5 | 14 Ų | 14 | 4% | 0.035 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.3 | -37.9 | 179 | -58.8 | 0 | 0 | 0 | 0 | 112 | I147 Y186 V206 D207 G212 I213 A214 | I147-S210 WeakPolarHBondContact O-CB 3.44Å; Y186-S210 WeakPolarHBondContact O-CB 3.41Å; Y186-S210 PolarHBondContact O-OG 3.32Å; V206-S210 PolarHBondContact O-N 3.15Å; V206-S210 VanDerWaalsContact O-N 3.08Å; V206-S210 PolarHBondContact O-OG 3.06Å; D207-S210 PolarHBondContact O-N 3.27Å; S210-G212 VanDerWaalsContact C-N 3.34Å; S210-I213 PolarHBondContact O-N 3.01Å; S210-A214 WeakPolarHBondContact O-CB 3.45Å; S210-A214 PolarHBondContact O-N 2.94Å |
| 211 | L | 98.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 170 | 176.9 | 59.1 | 0 | 0 | 0 | 111.9 | I127 L130 L134 D207 W208 W209 I213 A214 A215 | I127-L211 HydrophobicContact CG1-CD1 4.48Å; I127-L211 HydrophobicContact CG2-CD2 4.29Å; L130-L211 HydrophobicContact CB-CD1 3.85Å; L130-L211 HydrophobicContact CB-CD2 4.41Å; L130-L211 HydrophobicContact CD1-CD1 3.57Å; L130-L211 HydrophobicContact CG-CD1 4.36Å; L134-L211 HydrophobicContact CD1-CB 4.49Å; L134-L211 HydrophobicContact CD1-CD2 4.15Å; D207-L211 WeakPolarHBondContact O-CB 3.32Å; D207-L211 PolarHBondContact O-N 3.11Å; W208-L211 PolarHBondContact O-N 3.35Å; W209-L211 VanDerWaalsContact C-N 3.27Å; W209-L211 PolarHBondContact O-N 3.07Å; L211-I213 PolarHBondContact O-N 2.82Å; L211-A214 PolarHBondContact O-N 2.95Å; L211-A215 WeakPolarHBondContact O-CB 3.45Å; L211-A215 PolarHBondContact O-N 3.38Å |
| 212 | G | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.4 | -41.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | W208 W209 S210 Y216 | W208-G212 PolarHBondContact O-N 3Å; W209-G212 CarbonylContact O-C 3.54Å; W209-G212 WeakPolarHBondContact O-CA 3.34Å; W209-G212 PolarHBondContact O-N 2.98Å; S210-G212 VanDerWaalsContact C-N 3.34Å; G212-Y216 WeakPolarHBondContact O-CB 3.48Å; G212-Y216 PolarHBondContact O-N 3.23Å |
| 213 | I | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.2 | -61.8 | -68.3 | 0 | 0 | 0 | 110.1 | Y186 W209 S210 L211 Y216 E217 R223 P224 Y225 L263 | Y186-I213 HydrophobicContact CD1-CB 3.95Å; Y186-I213 HydrophobicContact CD1-CG2 3.4Å; Y186-I213 VanDerWaalsContact CD1-CG2 3.4Å; Y186-I213 HydrophobicContact CE1-CG2 3.64Å; Y186-I213 HydrophobicContact CG-CG2 4.24Å; W209-I213 HydrophobicContact CZ2-CD1 4.26Å; W209-I213 PolarHBondContact O-N 3.41Å; S210-I213 PolarHBondContact O-N 3.01Å; L211-I213 PolarHBondContact O-N 2.82Å; I213-Y216 PolarHBondContact O-N 2.93Å; I213-E217 WeakPolarHBondContact O-CB 3.35Å; I213-E217 PolarHBondContact O-N 3.33Å; I213-R223 HydrophobicContact CG2-CG 4.35Å; I213-P224 HydrophobicContact CD1-CG 3.48Å; I213-P224 VanDerWaalsContact CD1-CG 3.48Å; I213-Y225 HydrophobicContact CD1-CD2 4.06Å; I213-Y225 HydrophobicContact CD1-CE2 4.27Å; I213-L263 HydrophobicContact CD1-CD2 3.48Å; I213-L263 VanDerWaalsContact CD1-CD2 3.48Å; I213-L263 HydrophobicContact CG1-CD2 3.76Å |
| 214 | A | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 2% | 0.017 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.8 | -48 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | I152 S210 L211 Y216 E217 L218 | I152-A214 HydrophobicContact CD1-CB 4.32Å; S210-A214 WeakPolarHBondContact O-CB 3.45Å; S210-A214 PolarHBondContact O-N 2.94Å; L211-A214 PolarHBondContact O-N 2.95Å; A214-Y216 PolarHBondContact O-N 3.27Å; A214-E217 PolarHBondContact O-N 3.11Å; A214-E217 VanDerWaalsContact O-N 3.16Å; A214-L218 VanDerWaalsContact O-CG 3.27Å; A214-L218 WeakPolarHBondContact O-CG 3.37Å; A214-L218 PolarHBondContact O-N 3.1Å |
| 215 | A | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 19 Ų | 19 | 3% | 0.025 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V123 I127 L211 E217 L218 L219 L259 | V123-A215 HydrophobicContact CG1-CB 3.73Å; I127-A215 HydrophobicContact CD1-CB 3.71Å; I127-A215 HydrophobicContact CG1-CB 3.88Å; L211-A215 WeakPolarHBondContact O-CB 3.45Å; L211-A215 PolarHBondContact O-N 3.38Å; A215-E217 VanDerWaalsContact C-N 3.32Å; A215-E217 PolarHBondContact O-N 3.3Å; A215-L218 PolarHBondContact O-N 3.25Å; A215-L219 PolarHBondContact O-N 3.47Å; A215-L259 HydrophobicContact CB-CD2 3.86Å |
| 216 | Y | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 174.2 | -178.5 | -78.1 | 0 | 0 | 0 | 111.5 | G212 I213 A214 L219 R220 Q222 P224 P245 T246 Y247 W251 L259 L263 | G212-Y216 WeakPolarHBondContact O-CB 3.48Å; G212-Y216 PolarHBondContact O-N 3.23Å; I213-Y216 PolarHBondContact O-N 2.93Å; A214-Y216 PolarHBondContact O-N 3.27Å; Y216-L219 PolarHBondContact O-N 2.66Å; Y216-R220 HydrophobicContact CD1-CB 4.32Å; Y216-R220 HydrophobicContact CE1-CB 4.04Å; Y216-R220 HydrophobicContact CE1-CG 4.33Å; Y216-R220 WeakPolarHBondContact O-CB 3.47Å; Y216-R220 PolarHBondContact O-N 3.33Å; Y216-R220 WeakPolarHBondContact OH-CD 3.46Å; Y216-R220 VanDerWaalsContact OH-CZ 3.32Å; Y216-R220 PolarHBondContact OH-NE 3.35Å; Y216-R220 PolarHBondContact OH-NH1 3.13Å; Y216-Q222 WeakPolarHBondContact CD1-O 3.4Å; Y216-Q222 WeakPolarHBondContact CE1-O 3.41Å; Y216-P224 HydrophobicContact CD1-CB 3.77Å; Y216-P224 HydrophobicContact CD1-CG 3.89Å; Y216-P224 HydrophobicContact CD2-CB 4.2Å; Y216-P224 VanDerWaalsContact CE1-CA 3.4Å; Y216-P224 HydrophobicContact CE1-CB 3.6Å; Y216-P224 HydrophobicContact CE1-CG 4.22Å; Y216-P224 HydrophobicContact CE2-CB 4.08Å; Y216-P224 HydrophobicContact CG-CB 4.05Å; Y216-P224 HydrophobicContact CG-CG 4.08Å; Y216-P245 HydrophobicContact CE2-CB 4.37Å; Y216-T246 WeakPolarHBondContact CE2-O 3.38Å; Y216-T246 PolarHBondContact OH-O 2.88Å; Y216-Y247 HydrophobicContact CD2-CE1 4.09Å; Y216-Y247 HydrophobicContact CE2-CD1 4.26Å; Y216-Y247 HydrophobicContact CE2-CE1 4.08Å; Y216-W251 AromaticContact CD2-CH2 3.87Å; Y216-W251 HydrophobicContact CD2-CH2 3.87Å; Y216-W251 AromaticContact CD2-CZ3 3.88Å; Y216-W251 HydrophobicContact CD2-CZ3 3.88Å; Y216-W251 AromaticContact CE2-CH2 3.83Å; Y216-W251 HydrophobicContact CE2-CH2 3.83Å; Y216-W251 AromaticContact CE2-CZ3 3.87Å; Y216-W251 HydrophobicContact CE2-CZ3 3.87Å; Y216-W251 HydrophobicContact CG-CH2 4.34Å; Y216-L259 HydrophobicContact CD2-CD1 4.27Å; Y216-L263 HydrophobicContact CD2-CD1 4.46Å |
| 217 | E | 97.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 3% | 0.033 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 179.2 | -173.9 | 177.6 | -165.3 | 0 | 0 | 112.3 | R109 L112 P149 Y186 I213 A214 A215 L219 R220 G221 R223 | R109-E217 IonicContact CZ-OE1 3.52Å; R109-E217 IonicContact NH1-OE1 3.14Å; R109-E217 PolarHBondContact NH1-OE1 2.83Å; R109-E217 IonicContact NH2-OE1 3.87Å; R109-E217 PolarHBondContact NH2-OE1 3.29Å; R109-E217 IonicContact NH2-OE2 3.34Å; L112-E217 HydrophobicContact CD1-CG 3.91Å; P149-E217 WeakPolarHBondContact CG-OE2 3.39Å; Y186-E217 WeakPolarHBondContact CE1-OE2 3.26Å; Y186-E217 VanDerWaalsContact CZ-OE2 3.32Å; Y186-E217 VanDerWaalsContact OH-CD 3.3Å; Y186-E217 PolarHBondContact OH-OE1 2.86Å; Y186-E217 PolarHBondContact OH-OE2 3.32Å; I213-E217 WeakPolarHBondContact O-CB 3.35Å; I213-E217 PolarHBondContact O-N 3.33Å; A214-E217 PolarHBondContact O-N 3.11Å; A214-E217 VanDerWaalsContact O-N 3.16Å; A215-E217 VanDerWaalsContact C-N 3.32Å; A215-E217 PolarHBondContact O-N 3.3Å; E217-L219 VanDerWaalsContact C-N 3.32Å; E217-L219 PolarHBondContact O-N 3.14Å; E217-R220 PolarHBondContact O-N 3.24Å; E217-G221 VanDerWaalsContact O-CA 3.23Å; E217-G221 WeakPolarHBondContact O-CA 3.42Å; E217-G221 PolarHBondContact O-N 2.91Å; E217-R223 HydrophobicContact CB-CG 4.31Å; E217-R223 HydrophobicContact CG-CG 4.1Å |
| 218 | L | 98.2 | Very high | 95.8 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -37.9 | 175.7 | -68.2 | 169.4 | 0 | 0 | 0 | 112.7 | L108 L112 F118 V123 Y126 A214 A215 | L108-L218 HydrophobicContact CB-CD2 4.16Å; L108-L218 HydrophobicContact CD1-CD1 3.83Å; L108-L218 HydrophobicContact CD1-CD2 4Å; L108-L218 HydrophobicContact CD2-CD2 4.38Å; L108-L218 HydrophobicContact CG-CD2 4.44Å; L112-L218 HydrophobicContact CD1-CD2 4.16Å; L112-L218 HydrophobicContact CD2-CD2 4.33Å; L112-L218 HydrophobicContact CG-CD2 4.17Å; F118-L218 HydrophobicContact CD2-CB 4.13Å; F118-L218 HydrophobicContact CD2-CD2 3.81Å; F118-L218 HydrophobicContact CE2-CD2 3.65Å; F118-L218 HydrophobicContact CZ-CD2 4.31Å; V123-L218 HydrophobicContact CG2-CB 3.87Å; Y126-L218 HydrophobicContact CD2-CD1 4.13Å; A214-L218 VanDerWaalsContact O-CG 3.27Å; A214-L218 WeakPolarHBondContact O-CG 3.37Å; A214-L218 PolarHBondContact O-N 3.1Å; A215-L218 PolarHBondContact O-N 3.25Å |
| 219 | L | 97.8 | Very high | 94.8 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -78.1 | -36.4 | 178.4 | -68.2 | 171.5 | 0 | 0 | 0 | 113 | E120 V123 A215 Y216 E217 W251 M255 L259 | E120-L219 HydrophobicContact CG-CD2 3.98Å; V123-L219 HydrophobicContact CB-CD2 3.88Å; V123-L219 HydrophobicContact CB-CG 4.11Å; V123-L219 HydrophobicContact CG1-CD1 4.24Å; V123-L219 HydrophobicContact CG1-CD2 4.39Å; V123-L219 HydrophobicContact CG1-CG 4.07Å; V123-L219 HydrophobicContact CG2-CD2 3.57Å; V123-L219 HydrophobicContact CG2-CG 3.87Å; A215-L219 PolarHBondContact O-N 3.47Å; Y216-L219 PolarHBondContact O-N 2.66Å; E217-L219 VanDerWaalsContact C-N 3.32Å; E217-L219 PolarHBondContact O-N 3.14Å; L219-W251 HydrophobicContact CB-CH2 3.91Å; L219-W251 HydrophobicContact CB-CZ2 3.43Å; L219-W251 VanDerWaalsContact CB-CZ2 3.43Å; L219-W251 HydrophobicContact CD1-CH2 4.48Å; L219-W251 HydrophobicContact CD1-CZ2 4.47Å; L219-M255 HydrophobicContact CD1-CE 4.17Å; L219-M255 HydrophobicContact CD1-CG 3.69Å; L219-M255 HydrophobicContact CD1-SD 3.77Å; L219-L259 HydrophobicContact CD1-CD1 4.07Å |
| 220 | R | 96.4 | Very high | 94.2 | Very high | 80 Ų | 80 | 43.4 Ų | 43.4 | 30% | 0.302 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -98.6 | -16.8 | -172.2 | -157.8 | 177.8 | 174.3 | -141.3 | -4.2 | 113.9 | Y216 E217 Q222 W251 | Y216-R220 HydrophobicContact CD1-CB 4.32Å; Y216-R220 HydrophobicContact CE1-CB 4.04Å; Y216-R220 HydrophobicContact CE1-CG 4.33Å; Y216-R220 WeakPolarHBondContact O-CB 3.47Å; Y216-R220 PolarHBondContact O-N 3.33Å; Y216-R220 WeakPolarHBondContact OH-CD 3.46Å; Y216-R220 VanDerWaalsContact OH-CZ 3.32Å; Y216-R220 PolarHBondContact OH-NE 3.35Å; Y216-R220 PolarHBondContact OH-NH1 3.13Å; E217-R220 PolarHBondContact O-N 3.24Å; R220-Q222 HydrophobicContact CB-CG 4.36Å; R220-Q222 HydrophobicContact CG-CG 3.89Å; R220-Q222 PolarHBondContact O-N 2.97Å; R220-W251 HydrophobicContact CB-CH2 4.03Å; R220-W251 HydrophobicContact CB-CZ2 3.84Å; R220-W251 HydrophobicContact CG-CZ2 4.3Å |
| 221 | G | 95.6 | Very high | 93.8 | Very high | 54 Ų | 54 | 44 Ų | 44 | 56% | 0.557 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 73 | 0.2 | -168 | 0 | 0 | 0 | 0 | 0 | 114.2 | E217 | E217-G221 VanDerWaalsContact O-CA 3.23Å; E217-G221 WeakPolarHBondContact O-CA 3.42Å; E217-G221 PolarHBondContact O-N 2.91Å |
| 222 | Q | 94.8 | Very high | 93.4 | Very high | 96 Ų | 96 | 49.6 Ų | 49.6 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -149.8 | 150.5 | 179.4 | 61.4 | -178.7 | -20.9 | 0 | 0 | 111.3 | Y216 R220 | Y216-Q222 WeakPolarHBondContact CD1-O 3.4Å; Y216-Q222 WeakPolarHBondContact CE1-O 3.41Å; R220-Q222 HydrophobicContact CB-CG 4.36Å; R220-Q222 HydrophobicContact CG-CG 3.89Å; R220-Q222 PolarHBondContact O-N 2.97Å |
| 223 | R | 95.6 | Very high | 92.9 | Very high | 80 Ų | 80 | 50.8 Ų | 50.8 | 30% | 0.302 | 27% | 0.267 | S | S | . | . | trans | -66.5 | 153.8 | 179.3 | -67.7 | 169.9 | -66.8 | -156 | -1.1 | 112.1 | I213 E217 Y225 | I213-R223 HydrophobicContact CG2-CG 4.35Å; E217-R223 HydrophobicContact CB-CG 4.31Å; E217-R223 HydrophobicContact CG-CG 4.1Å; R223-Y225 VanDerWaalsContact C-N 3.29Å; R223-Y225 PolarHBondContact O-N 3.49Å | ||
| 224 | P | 95.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 7% | 0.065 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -70.8 | -27.3 | 178.6 | 25.9 | -29 | 0 | 0 | 0 | 112.7 | I213 Y216 P245 L263 | I213-P224 HydrophobicContact CD1-CG 3.48Å; I213-P224 VanDerWaalsContact CD1-CG 3.48Å; Y216-P224 HydrophobicContact CD1-CB 3.77Å; Y216-P224 HydrophobicContact CD1-CG 3.89Å; Y216-P224 HydrophobicContact CD2-CB 4.2Å; Y216-P224 VanDerWaalsContact CE1-CA 3.4Å; Y216-P224 HydrophobicContact CE1-CB 3.6Å; Y216-P224 HydrophobicContact CE1-CG 4.22Å; Y216-P224 HydrophobicContact CE2-CB 4.08Å; Y216-P224 HydrophobicContact CG-CB 4.05Å; Y216-P224 HydrophobicContact CG-CG 4.08Å; P224-P245 HydrophobicContact CB-CB 3.83Å; P224-P245 HydrophobicContact CB-CG 4.04Å; P224-L263 HydrophobicContact CG-CD1 4.17Å |
| 225 | Y | 94.3 | Very high | 92.1 | Very high | 5 Ų | 5 | 59 Ų | 59 | 2% | 0.02 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -118.8 | 131.7 | 176.6 | -55.9 | -80.6 | 0 | 0 | 0 | 110.5 | W209 I213 R223 M227 M239 F240 V243 P245 | W209-Y225 HydrophobicContact CH2-CE2 4.17Å; W209-Y225 AromaticContact CZ2-CE2 3.92Å; W209-Y225 HydrophobicContact CZ2-CE2 3.92Å; I213-Y225 HydrophobicContact CD1-CD2 4.06Å; I213-Y225 HydrophobicContact CD1-CE2 4.27Å; R223-Y225 VanDerWaalsContact C-N 3.29Å; R223-Y225 PolarHBondContact O-N 3.49Å; Y225-M227 HydrophobicContact CG-CE 4.21Å; Y225-M227 PolarHBondContact O-N 3.26Å; Y225-M239 HydrophobicContact CD1-CG 4.24Å; Y225-M239 HydrophobicContact CD1-SD 4.4Å; Y225-F240 HydrophobicContact CD1-CD1 4.09Å; Y225-F240 HydrophobicContact CD1-CE1 4.39Å; Y225-F240 HydrophobicContact CD2-CD1 4.17Å; Y225-F240 AromaticContact CD2-CE1 3.83Å; Y225-F240 HydrophobicContact CD2-CE1 3.83Å; Y225-F240 AromaticContact CE1-CD1 3.85Å; Y225-F240 HydrophobicContact CE1-CD1 3.85Å; Y225-F240 HydrophobicContact CE1-CE1 4.46Å; Y225-F240 AromaticContact CE2-CD1 3.96Å; Y225-F240 HydrophobicContact CE2-CD1 3.96Å; Y225-F240 AromaticContact CE2-CE1 3.93Å; Y225-F240 HydrophobicContact CE2-CE1 3.93Å; Y225-F240 HydrophobicContact CG-CD1 4.25Å; Y225-F240 HydrophobicContact CG-CE1 4.09Å; Y225-F240 AromaticContact CZ-CD1 3.79Å; Y225-V243 HydrophobicContact CD1-CB 4.32Å; Y225-V243 HydrophobicContact CD1-CG1 4.31Å; Y225-V243 HydrophobicContact CE1-CB 4.3Å; Y225-V243 HydrophobicContact CE1-CG1 4.44Å; Y225-V243 WeakPolarHBondContact CE1-O 3.38Å; Y225-P245 HydrophobicContact CE1-CG 4.27Å; Y225-P245 HydrophobicContact CE2-CG 4.11Å; Y225-P245 WeakPolarHBondContact OH-CG 3.28Å |
| 226 | V | 87.3 | Confident | 91.8 | Very high | 120 Ų | 120 | 58.8 Ų | 58.8 | 73% | 0.727 | 31% | 0.305 | S | S | * | . | trans | -92.2 | 94.7 | 179.8 | -177 | 0 | 0 | 0 | 0 | 108.9 | M239 | V226-M239 WeakPolarHBondContact O-CE 3.13Š| ||
| 227 | M | 87.8 | Confident | 91.4 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | trans | -120 | 142.1 | -179.2 | -62 | 177.7 | 177.1 | 0 | 0 | 110.8 | P185 Y225 I236 M239 F240 | P185-M227 HydrophobicContact CB-CB 4.32Å; P185-M227 HydrophobicContact CG-CB 4.16Å; Y225-M227 HydrophobicContact CG-CE 4.21Å; Y225-M227 PolarHBondContact O-N 3.26Å; M227-I236 HydrophobicContact CE-CB 4.36Å; M227-I236 HydrophobicContact CE-CG1 4.42Å; M227-I236 HydrophobicContact CE-CG2 3.75Å; M227-I236 HydrophobicContact SD-CG1 4.08Å; M227-I236 HydrophobicContact SD-CG2 3.98Å; M227-M239 HydrophobicContact CE-CB 4.17Å; M227-M239 HydrophobicContact CE-CE 4.45Å; M227-M239 HydrophobicContact CE-CG 4.15Å; M227-M239 HydrophobicContact CE-SD 3.47Å; M227-M239 WeakPolarHBondContact CE-SD 3.39Å; M227-M239 HydrophobicContact CG-CE 3.94Å; M227-M239 HydrophobicContact CG-SD 3.61Å; M227-M239 HydrophobicContact SD-SD 4.43Å; M227-F240 HydrophobicContact CE-CD1 3.99Å; M227-F240 HydrophobicContact CE-CE1 3.46Å; M227-F240 VanDerWaalsContact CE-CE1 3.46Å; M227-F240 HydrophobicContact CE-CE2 4.18Å; M227-F240 HydrophobicContact CE-CZ 3.59Å; M227-F240 HydrophobicContact SD-CZ 4.32Å | ||
| 228 | R | 82 | Confident | 91.1 | Very high | 186 Ų | 186 | 64 Ų | 64 | 70% | 0.702 | 33% | 0.33 | S | S | * | . | trans | -101 | 160 | 172.4 | -62.6 | -176.2 | -177.2 | -174.1 | 1.7 | 109.7 | N230 T231 | R228-N230 WeakPolarHBondContact CB-OD1 3.45Å; R228-N230 PolarHBondContact O-N 3.42Å; R228-T231 PolarHBondContact N-OG1 2.92Å; R228-T231 WeakPolarHBondContact O-CB 3.18Å; R228-T231 PolarHBondContact O-N 3.38Å; R228-T231 VanDerWaalsContact O-N 3.17Å; R228-T231 PolarHBondContact O-OG1 3.15Å; R228-T231 VanDerWaalsContact O-OG1 3.12Å | ||
| 229 | S | 79.3 | Confident | 90.8 | Very high | 102 Ų | 102 | 65.6 Ų | 65.6 | 71% | 0.713 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -27.1 | 177.4 | 51.6 | 0 | 0 | 0 | 0 | 113 | K184 | K184-S229 WeakPolarHBondContact CD-O 3.32Å; K184-S229 VanDerWaalsContact CE-O 3.28Å; K184-S229 WeakPolarHBondContact CE-O 3.43Å; K184-S229 PolarHBondContact NZ-O 3.02Å |
| 230 | N | 86.1 | Confident | 90.6 | Very high | 120 Ų | 120 | 64.8 Ų | 64.8 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -1.6 | 178.6 | 68.4 | -21.1 | 0 | 0 | 0 | 114.4 | R228 Q232 | R228-N230 WeakPolarHBondContact CB-OD1 3.45Å; R228-N230 PolarHBondContact O-N 3.42Å; N230-Q232 PolarHBondContact O-N 3.41Å |
| 231 | T | 88.8 | Confident | 90.3 | Very high | 18 Ų | 18 | 66.8 Ų | 66.8 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | trans | -61.7 | 135.2 | 176.8 | -52.4 | 0 | 0 | 0 | 0 | 110.2 | K184 R228 E235 I236 | K184-T231 PolarHBondContact NZ-O 3.45Å; R228-T231 PolarHBondContact N-OG1 2.92Å; R228-T231 WeakPolarHBondContact O-CB 3.18Å; R228-T231 PolarHBondContact O-N 3.38Å; R228-T231 VanDerWaalsContact O-N 3.17Å; R228-T231 PolarHBondContact O-OG1 3.15Å; R228-T231 VanDerWaalsContact O-OG1 3.12Å; T231-E235 HydrophobicContact CG2-CB 3.91Å; T231-E235 WeakPolarHBondContact CG2-OE2 3.36Å; T231-I236 HydrophobicContact CG2-CD1 4.32Å; T231-I236 HydrophobicContact CG2-CG1 3.7Å | ||
| 232 | Q | 90.3 | Very high | 90.1 | Very high | 122 Ų | 122 | 71.2 Ų | 71.2 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | trans | -76.3 | 153.4 | -177.8 | -62.7 | -173.4 | 24.1 | 0 | 0 | 111.5 | N230 N234 E235 I236 | N230-Q232 PolarHBondContact O-N 3.41Å; Q232-N234 VanDerWaalsContact C-N 3.33Å; Q232-N234 WeakPolarHBondContact CB-OD1 3.28Å; Q232-N234 PolarHBondContact O-N 3.13Å; Q232-E235 PolarHBondContact O-N 2.77Å; Q232-I236 WeakPolarHBondContact O-CG1 3.43Å; Q232-I236 PolarHBondContact O-N 2.92Å | ||
| 233 | S | 88.8 | Confident | 90 | Very high | 25 Ų | 25 | 69.6 Ų | 69.6 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | -176.1 | -56.6 | 0 | 0 | 0 | 0 | 113 | I236 L237 | S233-I236 WeakPolarHBondContact O-CB 3.24Å; S233-I236 PolarHBondContact O-N 2.8Å; S233-L237 WeakPolarHBondContact O-CG 3.4Å; S233-L237 PolarHBondContact O-N 2.97Å |
| 234 | N | 88.4 | Confident | 89.8 | Confident | 71 Ų | 71 | 73 Ų | 73 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 177.5 | 61.3 | -16.5 | 0 | 0 | 0 | 112.6 | E196 Q232 I236 L237 Q238 | E196-N234 PolarHBondContact OE1-N 3.36Å; Q232-N234 VanDerWaalsContact C-N 3.33Å; Q232-N234 WeakPolarHBondContact CB-OD1 3.28Å; Q232-N234 PolarHBondContact O-N 3.13Å; N234-I236 VanDerWaalsContact C-N 3.33Å; N234-L237 PolarHBondContact O-N 3.06Å; N234-Q238 WeakPolarHBondContact O-CG 3.26Å; N234-Q238 PolarHBondContact O-N 2.98Å |
| 235 | E | 91.6 | Very high | 89.7 | Confident | 103 Ų | 103 | 73.6 Ų | 73.6 | 48% | 0.481 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 174.7 | -77.8 | -175.4 | 162.3 | 0 | 0 | 111.4 | T231 Q232 Q238 M239 | T231-E235 HydrophobicContact CG2-CB 3.91Å; T231-E235 WeakPolarHBondContact CG2-OE2 3.36Å; Q232-E235 PolarHBondContact O-N 2.77Å; E235-Q238 PolarHBondContact O-N 3.2Å; E235-M239 WeakPolarHBondContact O-CB 3.46Å; E235-M239 PolarHBondContact O-N 3.49Å |
| 236 | I | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.8 | -48 | 176.2 | -72 | 169 | 0 | 0 | 0 | 110.6 | K184 F192 M227 T231 Q232 S233 N234 Q238 M239 F240 | K184-I236 HydrophobicContact CB-CD1 4.44Å; K184-I236 HydrophobicContact CD-CD1 4.01Å; F192-I236 HydrophobicContact CD1-CD1 4.3Å; F192-I236 HydrophobicContact CD1-CG2 4.29Å; F192-I236 HydrophobicContact CD2-CG2 3.72Å; F192-I236 HydrophobicContact CE1-CD1 3.61Å; F192-I236 HydrophobicContact CE1-CG2 4.14Å; F192-I236 HydrophobicContact CE2-CG2 3.55Å; F192-I236 HydrophobicContact CG-CG2 4.09Å; F192-I236 HydrophobicContact CZ-CD1 3.83Å; F192-I236 HydrophobicContact CZ-CG2 3.77Å; M227-I236 HydrophobicContact CE-CB 4.36Å; M227-I236 HydrophobicContact CE-CG1 4.42Å; M227-I236 HydrophobicContact CE-CG2 3.75Å; M227-I236 HydrophobicContact SD-CG1 4.08Å; M227-I236 HydrophobicContact SD-CG2 3.98Å; T231-I236 HydrophobicContact CG2-CD1 4.32Å; T231-I236 HydrophobicContact CG2-CG1 3.7Å; Q232-I236 WeakPolarHBondContact O-CG1 3.43Å; Q232-I236 PolarHBondContact O-N 2.92Å; S233-I236 WeakPolarHBondContact O-CB 3.24Å; S233-I236 PolarHBondContact O-N 2.8Å; N234-I236 VanDerWaalsContact C-N 3.33Å; I236-Q238 PolarHBondContact O-N 2.84Å; I236-M239 WeakPolarHBondContact O-CB 3.39Å; I236-M239 PolarHBondContact O-N 3.09Å; I236-M239 VanDerWaalsContact O-N 3.14Å; I236-F240 HydrophobicContact CG2-CD2 3.98Å; I236-F240 HydrophobicContact CG2-CE2 3.38Å; I236-F240 HydrophobicContact CG2-CZ 3.95Å; I236-F240 WeakPolarHBondContact O-CD2 3.18Å; I236-F240 PolarHBondContact O-N 3.22Å |
| 237 | L | 90.7 | Very high | 90.2 | Very high | 17 Ų | 17 | 73.7 Ų | 73.7 | 9% | 0.089 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.3 | -72.4 | 175 | 0 | 0 | 0 | 111.9 | F192 Q193 E196 S233 N234 M239 F240 H241 | F192-L237 HydrophobicContact CB-CD1 4.14Å; F192-L237 HydrophobicContact CB-CD2 3.85Å; F192-L237 HydrophobicContact CB-CG 3.87Å; Q193-L237 HydrophobicContact CG-CD1 4.27Å; Q193-L237 HydrophobicContact CG-CD2 3.66Å; E196-L237 VanDerWaalsContact OE2-CD1 3.3Å; E196-L237 WeakPolarHBondContact OE2-CD1 3.45Å; S233-L237 WeakPolarHBondContact O-CG 3.4Å; S233-L237 PolarHBondContact O-N 2.97Å; N234-L237 PolarHBondContact O-N 3.06Å; L237-M239 VanDerWaalsContact C-N 3.26Å; L237-M239 PolarHBondContact O-N 2.9Å; L237-F240 HydrophobicContact CD2-CD2 4.48Å; L237-F240 PolarHBondContact O-N 3.13Å; L237-H241 PolarHBondContact O-CD2 3.07Å; L237-H241 PolarHBondContact O-N 3.36Å |
| 238 | Q | 91.3 | Very high | 90.6 | Very high | 99 Ų | 99 | 75.3 Ų | 75.3 | 46% | 0.463 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 174.1 | -73 | -173.5 | 24.2 | 0 | 0 | 112.3 | N234 E235 I236 H241 K242 | N234-Q238 WeakPolarHBondContact O-CG 3.26Å; N234-Q238 PolarHBondContact O-N 2.98Å; E235-Q238 PolarHBondContact O-N 3.2Å; I236-Q238 PolarHBondContact O-N 2.84Å; Q238-H241 PolarHBondContact O-N 3.07Å; Q238-K242 HydrophobicContact CB-CD 4.49Å; Q238-K242 WeakPolarHBondContact O-CB 3.47Å; Q238-K242 VanDerWaalsContact O-CG 3.3Å; Q238-K242 WeakPolarHBondContact O-CG 3.48Å; Q238-K242 PolarHBondContact O-N 3.12Å |
| 239 | M | 93.4 | Very high | 91.2 | Very high | 42 Ų | 42 | 71 Ų | 71 | 21% | 0.207 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 177.1 | -171.4 | -176.8 | -56.8 | 0 | 0 | 111.4 | Y225 V226 M227 E235 I236 L237 H241 K242 V243 | Y225-M239 HydrophobicContact CD1-CG 4.24Å; Y225-M239 HydrophobicContact CD1-SD 4.4Å; V226-M239 WeakPolarHBondContact O-CE 3.13Å; M227-M239 HydrophobicContact CE-CB 4.17Å; M227-M239 HydrophobicContact CE-CE 4.45Å; M227-M239 HydrophobicContact CE-CG 4.15Å; M227-M239 HydrophobicContact CE-SD 3.47Å; M227-M239 WeakPolarHBondContact CE-SD 3.39Å; M227-M239 HydrophobicContact CG-CE 3.94Å; M227-M239 HydrophobicContact CG-SD 3.61Å; M227-M239 HydrophobicContact SD-SD 4.43Å; E235-M239 WeakPolarHBondContact O-CB 3.46Å; E235-M239 PolarHBondContact O-N 3.49Å; I236-M239 WeakPolarHBondContact O-CB 3.39Å; I236-M239 PolarHBondContact O-N 3.09Å; I236-M239 VanDerWaalsContact O-N 3.14Å; L237-M239 VanDerWaalsContact C-N 3.26Å; L237-M239 PolarHBondContact O-N 2.9Å; M239-H241 PolarHBondContact O-N 3.33Å; M239-K242 PolarHBondContact O-N 3.21Å; M239-V243 HydrophobicContact CG-CB 4.24Å; M239-V243 HydrophobicContact CG-CG2 3.76Å; M239-V243 VanDerWaalsContact O-CB 3.29Å; M239-V243 WeakPolarHBondContact O-CB 3.39Å; M239-V243 PolarHBondContact O-N 3.45Å |
| 240 | F | 93.6 | Very high | 92 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.018 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.4 | -36 | 176.6 | -68 | -46.7 | 0 | 0 | 0 | 112.5 | P189 F192 W209 Y225 M227 I236 L237 I265 | P189-F240 HydrophobicContact CB-CD2 3.72Å; P189-F240 HydrophobicContact CB-CE2 3.98Å; P189-F240 HydrophobicContact CB-CG 4.37Å; P189-F240 HydrophobicContact CG-CB 4.49Å; P189-F240 HydrophobicContact CG-CD1 4.33Å; P189-F240 HydrophobicContact CG-CD2 3.68Å; P189-F240 HydrophobicContact CG-CE1 4.48Å; P189-F240 HydrophobicContact CG-CE2 3.83Å; P189-F240 HydrophobicContact CG-CG 3.94Å; P189-F240 HydrophobicContact CG-CZ 4.23Å; F192-F240 HydrophobicContact CD2-CE2 4.06Å; F192-F240 HydrophobicContact CE2-CE2 4.06Å; F192-F240 HydrophobicContact CE2-CZ 4.47Å; W209-F240 HydrophobicContact CH2-CD1 4.3Å; W209-F240 HydrophobicContact CH2-CE1 4.26Å; W209-F240 HydrophobicContact CZ2-CD1 4.07Å; W209-F240 AromaticContact CZ2-CE1 3.59Å; W209-F240 HydrophobicContact CZ2-CE1 3.59Å; W209-F240 HydrophobicContact CZ2-CZ 4.1Å; Y225-F240 HydrophobicContact CD1-CD1 4.09Å; Y225-F240 HydrophobicContact CD1-CE1 4.39Å; Y225-F240 HydrophobicContact CD2-CD1 4.17Å; Y225-F240 AromaticContact CD2-CE1 3.83Å; Y225-F240 HydrophobicContact CD2-CE1 3.83Å; Y225-F240 AromaticContact CE1-CD1 3.85Å; Y225-F240 HydrophobicContact CE1-CD1 3.85Å; Y225-F240 HydrophobicContact CE1-CE1 4.46Å; Y225-F240 AromaticContact CE2-CD1 3.96Å; Y225-F240 HydrophobicContact CE2-CD1 3.96Å; Y225-F240 AromaticContact CE2-CE1 3.93Å; Y225-F240 HydrophobicContact CE2-CE1 3.93Å; Y225-F240 HydrophobicContact CG-CD1 4.25Å; Y225-F240 HydrophobicContact CG-CE1 4.09Å; Y225-F240 AromaticContact CZ-CD1 3.79Å; M227-F240 HydrophobicContact CE-CD1 3.99Å; M227-F240 HydrophobicContact CE-CE1 3.46Å; M227-F240 VanDerWaalsContact CE-CE1 3.46Å; M227-F240 HydrophobicContact CE-CE2 4.18Å; M227-F240 HydrophobicContact CE-CZ 3.59Å; M227-F240 HydrophobicContact SD-CZ 4.32Å; I236-F240 HydrophobicContact CG2-CD2 3.98Å; I236-F240 HydrophobicContact CG2-CE2 3.38Å; I236-F240 HydrophobicContact CG2-CZ 3.95Å; I236-F240 WeakPolarHBondContact O-CD2 3.18Å; I236-F240 PolarHBondContact O-N 3.22Å; L237-F240 HydrophobicContact CD2-CD2 4.48Å; L237-F240 PolarHBondContact O-N 3.13Å; F240-I265 HydrophobicContact CB-CD1 4.16Å; F240-I265 WeakPolarHBondContact O-CD1 3.46Å |
| 241 | H | 89.5 | Confident | 92.6 | Very high | 122 Ų | 122 | 66.1 Ų | 66.1 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -78.7 | -33.6 | 178 | -71.6 | -64.9 | 0 | 0 | 0 | 114.4 | L237 Q238 M239 | L237-H241 PolarHBondContact O-CD2 3.07Å; L237-H241 PolarHBondContact O-N 3.36Å; Q238-H241 PolarHBondContact O-N 3.07Å; M239-H241 PolarHBondContact O-N 3.33Å |
| 242 | K | 91.4 | Very high | 93 | Very high | 148 Ų | 148 | 66.8 Ų | 66.8 | 64% | 0.643 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -92.3 | -28.6 | -173.6 | -69 | 172.8 | 179.6 | 172 | 0 | 113.6 | Q238 M239 | Q238-K242 HydrophobicContact CB-CD 4.49Å; Q238-K242 WeakPolarHBondContact O-CB 3.47Å; Q238-K242 VanDerWaalsContact O-CG 3.3Å; Q238-K242 WeakPolarHBondContact O-CG 3.48Å; Q238-K242 PolarHBondContact O-N 3.12Å; M239-K242 PolarHBondContact O-N 3.21Å |
| 243 | V | 92.1 | Very high | 93.4 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 37% | 0.37 | 37% | 0.369 | S | S | . | . | trans | -104.7 | 119.4 | -172.3 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | Y225 M239 | Y225-V243 HydrophobicContact CD1-CB 4.32Å; Y225-V243 HydrophobicContact CD1-CG1 4.31Å; Y225-V243 HydrophobicContact CE1-CB 4.3Å; Y225-V243 HydrophobicContact CE1-CG1 4.44Å; Y225-V243 WeakPolarHBondContact CE1-O 3.38Å; M239-V243 HydrophobicContact CG-CB 4.24Å; M239-V243 HydrophobicContact CG-CG2 3.76Å; M239-V243 VanDerWaalsContact O-CB 3.29Å; M239-V243 WeakPolarHBondContact O-CB 3.39Å; M239-V243 PolarHBondContact O-N 3.45Å | ||
| 244 | H | 91.2 | Very high | 93.8 | Very high | 153 Ų | 153 | 70.5 Ų | 70.5 | 71% | 0.708 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -93.8 | 124.8 | 170.3 | -63.3 | -59.4 | 0 | 0 | 0 | 110 | T246 | H244-T246 PolarHBondContact O-N 3.2Š|
| 245 | P | 93.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 67.1 Ų | 67.1 | 14% | 0.143 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 130.1 | 175.6 | -27.7 | 35.7 | 0 | 0 | 0 | 111.6 | Y216 P224 Y225 Y247 | Y216-P245 HydrophobicContact CE2-CB 4.37Å; P224-P245 HydrophobicContact CB-CB 3.83Å; P224-P245 HydrophobicContact CB-CG 4.04Å; Y225-P245 HydrophobicContact CE1-CG 4.27Å; Y225-P245 HydrophobicContact CE2-CG 4.11Å; Y225-P245 WeakPolarHBondContact OH-CG 3.28Å; P245-Y247 HydrophobicContact CB-CE2 3.86Å; P245-Y247 WeakPolarHBondContact O-CD2 3.3Å; P245-Y247 VanDerWaalsContact O-CE2 3.28Å; P245-Y247 WeakPolarHBondContact O-CE2 3.11Å |
| 246 | T | 95.1 | Very high | 94.6 | Very high | 89 Ų | 89 | 63.2 Ų | 63.2 | 55% | 0.546 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 128.8 | 175 | -49.5 | 0 | 0 | 0 | 0 | 109.8 | Y216 H244 | Y216-T246 WeakPolarHBondContact CE2-O 3.38Å; Y216-T246 PolarHBondContact OH-O 2.88Å; H244-T246 PolarHBondContact O-N 3.2Å |
| 247 | Y | 96.5 | Very high | 94.9 | Very high | 38 Ų | 38 | 66 Ų | 66 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | trans | -110 | 113.6 | 175.9 | -66.1 | -87.9 | 0 | 0 | 0 | 109.3 | Y216 P245 W251 K256 L259 R260 | Y216-Y247 HydrophobicContact CD2-CE1 4.09Å; Y216-Y247 HydrophobicContact CE2-CD1 4.26Å; Y216-Y247 HydrophobicContact CE2-CE1 4.08Å; P245-Y247 HydrophobicContact CB-CE2 3.86Å; P245-Y247 WeakPolarHBondContact O-CD2 3.3Å; P245-Y247 VanDerWaalsContact O-CE2 3.28Å; P245-Y247 WeakPolarHBondContact O-CE2 3.11Å; Y247-W251 AromaticContact CD1-CE3 3.96Å; Y247-W251 HydrophobicContact CD1-CE3 3.96Å; Y247-W251 AromaticContact CD1-CZ3 3.73Å; Y247-W251 HydrophobicContact CD1-CZ3 3.73Å; Y247-W251 HydrophobicContact CE1-CZ3 4.37Å; Y247-K256 HydrophobicContact CD1-CB 4.47Å; Y247-K256 HydrophobicContact CD1-CG 4.26Å; Y247-K256 HydrophobicContact CG-CG 4.38Å; Y247-L259 HydrophobicContact CD1-CD1 4.42Å; Y247-L259 HydrophobicContact CE1-CB 3.73Å; Y247-L259 HydrophobicContact CE1-CD1 4.07Å; Y247-R260 HydrophobicContact CE2-CG 3.93Å | ||
| 248 | P | 95.6 | Very high | 95.3 | Very high | 39 Ų | 39 | 65.2 Ų | 65.2 | 25% | 0.253 | 36% | 0.361 | S | S | . | . | trans | -51.6 | 140.1 | 179.4 | -29.7 | 35.8 | 0 | 0 | 0 | 113.3 | A250 W251 K256 | P248-A250 PolarHBondContact O-N 3.19Å; P248-W251 HydrophobicContact CB-CD2 4.32Å; P248-W251 HydrophobicContact CB-CG 4.28Å; P248-W251 HydrophobicContact CG-CD2 4.1Å; P248-W251 HydrophobicContact CG-CH2 4.41Å; P248-W251 HydrophobicContact CG-CZ2 3.84Å; P248-W251 PolarHBondContact O-N 3.2Å; P248-W251 VanDerWaalsContact O-N 3.09Å; P248-K256 WeakPolarHBondContact O-CE 3.31Å; P248-K256 PolarHBondContact O-NZ 2.92Å | ||
| 249 | A | 95.7 | Very high | 95.6 | Very high | 95 Ų | 95 | 60.5 Ų | 60.5 | 79% | 0.785 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -35.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | W251 K256 | A249-W251 PolarHBondContact O-N 2.92Å; A249-K256 PolarHBondContact O-NZ 3.37Å |
| 250 | A | 96.1 | Very high | 95.8 | Very high | 94 Ų | 94 | 64.6 Ų | 64.6 | 78% | 0.777 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P248 | P248-A250 PolarHBondContact O-N 3.19Š|
| 251 | W | 97.8 | Very high | 96 | Very high | 27 Ų | 27 | 68.8 Ų | 68.8 | 10% | 0.102 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -75.5 | 146.9 | 178.4 | -59.8 | -12.4 | 0 | 0 | 0 | 112.2 | E120 Y216 L219 R220 Y247 P248 A249 K256 L259 | E120-W251 WeakPolarHBondContact OE1-CA 3.06Å; E120-W251 WeakPolarHBondContact OE1-CB 3.49Å; Y216-W251 AromaticContact CD2-CH2 3.87Å; Y216-W251 HydrophobicContact CD2-CH2 3.87Å; Y216-W251 AromaticContact CD2-CZ3 3.88Å; Y216-W251 HydrophobicContact CD2-CZ3 3.88Å; Y216-W251 AromaticContact CE2-CH2 3.83Å; Y216-W251 HydrophobicContact CE2-CH2 3.83Å; Y216-W251 AromaticContact CE2-CZ3 3.87Å; Y216-W251 HydrophobicContact CE2-CZ3 3.87Å; Y216-W251 HydrophobicContact CG-CH2 4.34Å; L219-W251 HydrophobicContact CB-CH2 3.91Å; L219-W251 HydrophobicContact CB-CZ2 3.43Å; L219-W251 VanDerWaalsContact CB-CZ2 3.43Å; L219-W251 HydrophobicContact CD1-CH2 4.48Å; L219-W251 HydrophobicContact CD1-CZ2 4.47Å; R220-W251 HydrophobicContact CB-CH2 4.03Å; R220-W251 HydrophobicContact CB-CZ2 3.84Å; R220-W251 HydrophobicContact CG-CZ2 4.3Å; Y247-W251 AromaticContact CD1-CE3 3.96Å; Y247-W251 HydrophobicContact CD1-CE3 3.96Å; Y247-W251 AromaticContact CD1-CZ3 3.73Å; Y247-W251 HydrophobicContact CD1-CZ3 3.73Å; Y247-W251 HydrophobicContact CE1-CZ3 4.37Å; P248-W251 HydrophobicContact CB-CD2 4.32Å; P248-W251 HydrophobicContact CB-CG 4.28Å; P248-W251 HydrophobicContact CG-CD2 4.1Å; P248-W251 HydrophobicContact CG-CH2 4.41Å; P248-W251 HydrophobicContact CG-CZ2 3.84Å; P248-W251 PolarHBondContact O-N 3.2Å; P248-W251 VanDerWaalsContact O-N 3.09Å; A249-W251 PolarHBondContact O-N 2.92Å; W251-K256 HydrophobicContact CB-CG 4.16Å; W251-K256 WeakPolarHBondContact O-CE 3.45Å; W251-K256 PolarHBondContact O-NZ 3.18Å; W251-L259 HydrophobicContact CE3-CD1 4.07Å; W251-L259 HydrophobicContact CH2-CD1 4.44Å; W251-L259 HydrophobicContact CZ3-CD1 3.61Å |
| 252 | S | 98.2 | Very high | 96.4 | Very high | 32 Ų | 32 | 63 Ų | 63 | 22% | 0.224 | 34% | 0.343 | C | S | . | . | trans | -58.1 | 153.4 | 174.7 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | E120 E254 M255 K256 | E120-S252 PolarHBondContact OE1-N 3.44Å; E120-S252 WeakPolarHBondContact OE2-CB 3.42Å; E120-S252 PolarHBondContact OE2-N 3.09Å; E120-S252 PolarHBondContact OE2-OG 3.35Å; S252-E254 WeakPolarHBondContact CB-OE2 3.47Å; S252-E254 PolarHBondContact O-N 3.42Å; S252-M255 WeakPolarHBondContact OG-CB 3.43Å; S252-M255 PolarHBondContact OG-N 3.22Å; S252-K256 WeakPolarHBondContact O-CG 3.47Å; S252-K256 PolarHBondContact O-N 3.35Å; S252-K256 VanDerWaalsContact O-N 3.16Å | ||
| 253 | L | 98.1 | Very high | 96.7 | Very high | 129 Ų | 129 | 56.4 Ų | 56.4 | 68% | 0.675 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.5 | -33.6 | 178.1 | -70 | 178 | 0 | 0 | 0 | 110.8 | K256 S257 | L253-K256 PolarHBondContact O-N 2.76Å; L253-S257 WeakPolarHBondContact O-CB 3.21Å; L253-S257 PolarHBondContact O-N 3.27Å |
| 254 | E | 97.9 | Very high | 97 | Very high | 95 Ų | 95 | 54.9 Ų | 54.9 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.3 | -48.3 | -178.8 | -59.2 | 70.6 | -155.7 | 0 | 0 | 110.9 | S252 K256 S257 L258 Y282 | S252-E254 WeakPolarHBondContact CB-OE2 3.47Å; S252-E254 PolarHBondContact O-N 3.42Å; E254-K256 VanDerWaalsContact C-N 3.35Å; E254-K256 PolarHBondContact O-N 3.25Å; E254-S257 WeakPolarHBondContact O-CB 3.32Å; E254-S257 PolarHBondContact O-N 2.65Å; E254-S257 VanDerWaalsContact O-N 3.14Å; E254-L258 PolarHBondContact O-N 3.35Å; E254-Y282 HydrophobicContact CB-CD1 4.24Å; E254-Y282 HydrophobicContact CB-CD2 3.26Å; E254-Y282 HydrophobicContact CB-CE2 3.6Å; E254-Y282 HydrophobicContact CB-CG 3.61Å; E254-Y282 HydrophobicContact CG-CD2 3.86Å; E254-Y282 HydrophobicContact CG-CE2 4.36Å; E254-Y282 HydrophobicContact CG-CG 4.45Å |
| 255 | M | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 174.6 | -179.6 | 59 | 76.6 | 0 | 0 | 111.7 | E120 K124 L219 S252 S257 L258 L259 Y282 | E120-M255 HydrophobicContact CB-CE 4.04Å; E120-M255 HydrophobicContact CG-CE 4.27Å; E120-M255 HydrophobicContact CG-CG 4.31Å; E120-M255 WeakPolarHBondContact O-CE 3.46Å; E120-M255 WeakPolarHBondContact OE2-CB 3.49Å; K124-M255 HydrophobicContact CB-CE 4.29Å; L219-M255 HydrophobicContact CD1-CE 4.17Å; L219-M255 HydrophobicContact CD1-CG 3.69Å; L219-M255 HydrophobicContact CD1-SD 3.77Å; S252-M255 WeakPolarHBondContact OG-CB 3.43Å; S252-M255 PolarHBondContact OG-N 3.22Å; M255-S257 VanDerWaalsContact C-N 3.3Å; M255-S257 PolarHBondContact O-N 2.87Å; M255-L258 PolarHBondContact O-N 3.17Å; M255-L258 HydrophobicContact SD-CD2 4.32Å; M255-L259 HydrophobicContact CG-CD1 4.14Å; M255-L259 WeakPolarHBondContact O-CG 3.43Å; M255-L259 PolarHBondContact O-N 3Å; M255-L259 HydrophobicContact SD-CD1 4.23Å; M255-L259 HydrophobicContact SD-CG 4.11Å; M255-Y282 HydrophobicContact CE-CE1 4.33Å |
| 256 | K | 98.4 | Very high | 97 | Very high | 22 Ų | 22 | 52.3 Ų | 52.3 | 10% | 0.096 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 174 | -68.3 | 170.2 | -179.8 | 148.8 | 0 | 111.4 | Y247 P248 A249 W251 S252 L253 E254 R260 | Y247-K256 HydrophobicContact CD1-CB 4.47Å; Y247-K256 HydrophobicContact CD1-CG 4.26Å; Y247-K256 HydrophobicContact CG-CG 4.38Å; P248-K256 WeakPolarHBondContact O-CE 3.31Å; P248-K256 PolarHBondContact O-NZ 2.92Å; A249-K256 PolarHBondContact O-NZ 3.37Å; W251-K256 HydrophobicContact CB-CG 4.16Å; W251-K256 WeakPolarHBondContact O-CE 3.45Å; W251-K256 PolarHBondContact O-NZ 3.18Å; S252-K256 WeakPolarHBondContact O-CG 3.47Å; S252-K256 PolarHBondContact O-N 3.35Å; S252-K256 VanDerWaalsContact O-N 3.16Å; L253-K256 PolarHBondContact O-N 2.76Å; E254-K256 VanDerWaalsContact C-N 3.35Å; E254-K256 PolarHBondContact O-N 3.25Å; K256-R260 VanDerWaalsContact O-CG 3.27Å; K256-R260 WeakPolarHBondContact O-CG 3.17Å; K256-R260 PolarHBondContact O-N 2.82Å; K256-R260 VanDerWaalsContact O-N 3.09Å |
| 257 | S | 97.9 | Very high | 96.9 | Very high | 57 Ų | 57 | 49.5 Ų | 49.5 | 40% | 0.399 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | 178.2 | -170.9 | 0 | 0 | 0 | 0 | 111.5 | L253 E254 M255 L259 R260 K261 | L253-S257 WeakPolarHBondContact O-CB 3.21Å; L253-S257 PolarHBondContact O-N 3.27Å; E254-S257 WeakPolarHBondContact O-CB 3.32Å; E254-S257 PolarHBondContact O-N 2.65Å; E254-S257 VanDerWaalsContact O-N 3.14Å; M255-S257 VanDerWaalsContact C-N 3.3Å; M255-S257 PolarHBondContact O-N 2.87Å; S257-L259 PolarHBondContact O-N 3.17Å; S257-R260 PolarHBondContact O-N 3.35Å; S257-K261 PolarHBondContact O-N 2.78Å |
| 258 | L | 98.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.9 | -52.2 | 176.4 | 171.9 | 61.4 | 0 | 0 | 0 | 111.9 | I127 E254 M255 R260 K261 L262 I271 L277 L280 Y282 M283 | I127-L258 HydrophobicContact CD1-CD2 3.67Å; I127-L258 HydrophobicContact CD1-CG 4.47Å; I127-L258 HydrophobicContact CG2-CD2 4.49Å; E254-L258 PolarHBondContact O-N 3.35Å; M255-L258 PolarHBondContact O-N 3.17Å; M255-L258 HydrophobicContact SD-CD2 4.32Å; L258-R260 VanDerWaalsContact C-N 3.31Å; L258-R260 PolarHBondContact O-N 3.07Å; L258-K261 PolarHBondContact O-N 3.12Å; L258-K261 VanDerWaalsContact O-N 3.11Å; L258-L262 HydrophobicContact CD1-CD1 4.09Å; L258-L262 HydrophobicContact CD1-CG 4.36Å; L258-L262 HydrophobicContact CG-CD1 4.23Å; L258-L262 PolarHBondContact O-N 3.48Å; L258-I271 HydrophobicContact CD1-CD1 4.49Å; L258-L277 HydrophobicContact CD1-CD1 3.51Å; L258-L280 HydrophobicContact CD1-CD1 3.59Å; L258-Y282 HydrophobicContact CB-CD1 4.21Å; L258-Y282 HydrophobicContact CD2-CD1 3.93Å; L258-Y282 HydrophobicContact CD2-CE1 3.92Å; L258-M283 HydrophobicContact CD1-CE 3.95Å; L258-M283 HydrophobicContact CD2-CE 3.58Å; L258-M283 HydrophobicContact CG-CE 4.4Å |
| 259 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -37.2 | -179.7 | -70.1 | 173.7 | 0 | 0 | 0 | 112.2 | A215 Y216 L219 Y247 W251 M255 S257 K261 L262 L263 | A215-L259 HydrophobicContact CB-CD2 3.86Å; Y216-L259 HydrophobicContact CD2-CD1 4.27Å; L219-L259 HydrophobicContact CD1-CD1 4.07Å; Y247-L259 HydrophobicContact CD1-CD1 4.42Å; Y247-L259 HydrophobicContact CE1-CB 3.73Å; Y247-L259 HydrophobicContact CE1-CD1 4.07Å; W251-L259 HydrophobicContact CE3-CD1 4.07Å; W251-L259 HydrophobicContact CH2-CD1 4.44Å; W251-L259 HydrophobicContact CZ3-CD1 3.61Å; M255-L259 HydrophobicContact CG-CD1 4.14Å; M255-L259 WeakPolarHBondContact O-CG 3.43Å; M255-L259 PolarHBondContact O-N 3Å; M255-L259 HydrophobicContact SD-CD1 4.23Å; M255-L259 HydrophobicContact SD-CG 4.11Å; S257-L259 PolarHBondContact O-N 3.17Å; L259-K261 VanDerWaalsContact C-N 3.33Å; L259-K261 PolarHBondContact O-N 3.4Å; L259-L262 PolarHBondContact O-N 3.41Å; L259-L263 VanDerWaalsContact O-CB 3.23Å; L259-L263 WeakPolarHBondContact O-CB 3.28Å; L259-L263 WeakPolarHBondContact O-CG 3.39Å; L259-L263 PolarHBondContact O-N 3.28Å |
| 260 | R | 97.8 | Very high | 96.7 | Very high | 127 Ų | 127 | 56.6 Ų | 56.6 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65 | -35.2 | 174.7 | -75 | -179.1 | -164 | 115 | -4 | 112.8 | Y247 K256 S257 L258 L263 C264 | Y247-R260 HydrophobicContact CE2-CG 3.93Å; K256-R260 VanDerWaalsContact O-CG 3.27Å; K256-R260 WeakPolarHBondContact O-CG 3.17Å; K256-R260 PolarHBondContact O-N 2.82Å; K256-R260 VanDerWaalsContact O-N 3.09Å; S257-R260 PolarHBondContact O-N 3.35Å; L258-R260 VanDerWaalsContact C-N 3.31Å; L258-R260 PolarHBondContact O-N 3.07Å; R260-L263 CarbonylContact O-C 3.53Å; R260-C264 PolarHBondContact O-N 3.06Å; R260-C264 VanDerWaalsContact O-N 3.14Å |
| 261 | K | 97.9 | Very high | 96.8 | Very high | 92 Ų | 92 | 52.4 Ų | 52.4 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.3 | -36.9 | 176.1 | -71.9 | -169.4 | 176.4 | -168.1 | 0 | 112.2 | S257 L258 L259 R270 I271 L280 | S257-K261 PolarHBondContact O-N 2.78Å; L258-K261 PolarHBondContact O-N 3.12Å; L258-K261 VanDerWaalsContact O-N 3.11Å; L259-K261 VanDerWaalsContact C-N 3.33Å; L259-K261 PolarHBondContact O-N 3.4Å; K261-R270 WeakPolarHBondContact O-CA 3.49Å; K261-R270 WeakPolarHBondContact O-CG 3.43Å; K261-I271 HydrophobicContact CB-CD1 3.5Å; K261-I271 HydrophobicContact CB-CG1 3.91Å; K261-I271 HydrophobicContact CD-CD1 4Å; K261-I271 HydrophobicContact CD-CG1 4.47Å; K261-I271 HydrophobicContact CG-CD1 4.41Å; K261-I271 PolarHBondContact O-N 3.17Å; K261-L280 HydrophobicContact CD-CD2 3.53Å |
| 262 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.6 | -39.8 | 173.4 | -69.8 | 169.1 | 0 | 0 | 0 | 112.3 | I127 W208 L258 L259 C264 R270 I271 | I127-L262 HydrophobicContact CD1-CD1 4.49Å; W208-L262 HydrophobicContact CB-CD2 4.44Å; W208-L262 HydrophobicContact CE3-CD2 3.94Å; L258-L262 HydrophobicContact CD1-CD1 4.09Å; L258-L262 HydrophobicContact CD1-CG 4.36Å; L258-L262 HydrophobicContact CG-CD1 4.23Å; L258-L262 PolarHBondContact O-N 3.48Å; L259-L262 PolarHBondContact O-N 3.41Å; L262-C264 VanDerWaalsContact C-N 3.27Å; L262-C264 PolarHBondContact O-N 2.75Å; L262-R270 VanDerWaalsContact O-CD 3.28Å; L262-R270 WeakPolarHBondContact O-CD 3.39Å; L262-R270 VanDerWaalsContact O-CG 3.26Å; L262-R270 WeakPolarHBondContact O-CG 3.43Å; L262-I271 HydrophobicContact CD2-CB 4.19Å; L262-I271 HydrophobicContact CD2-CG2 4.31Å |
| 263 | L | 97.8 | Very high | 96.6 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 28.2 | 179.2 | -60 | 178.9 | 0 | 0 | 0 | 112.6 | W209 I213 Y216 P224 L259 R260 I265 | W209-L263 HydrophobicContact CD2-CD2 4.18Å; W209-L263 HydrophobicContact CE3-CD2 4.34Å; W209-L263 VanDerWaalsContact CZ3-C 3.43Å; W209-L263 HydrophobicContact CZ3-CB 4.4Å; W209-L263 WeakPolarHBondContact CZ3-O 3.22Å; I213-L263 HydrophobicContact CD1-CD2 3.48Å; I213-L263 VanDerWaalsContact CD1-CD2 3.48Å; I213-L263 HydrophobicContact CG1-CD2 3.76Å; Y216-L263 HydrophobicContact CD2-CD1 4.46Å; P224-L263 HydrophobicContact CG-CD1 4.17Å; L259-L263 VanDerWaalsContact O-CB 3.23Å; L259-L263 WeakPolarHBondContact O-CB 3.28Å; L259-L263 WeakPolarHBondContact O-CG 3.39Å; L259-L263 PolarHBondContact O-N 3.28Å; R260-L263 CarbonylContact O-C 3.53Å; L263-I265 PolarHBondContact O-N 3.22Å |
| 264 | C | 96.4 | Very high | 96.6 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | trans | -75.1 | 122.1 | 174.7 | -164.5 | 0 | 0 | 0 | 0 | 109.6 | R260 L262 D266 R270 | R260-C264 PolarHBondContact O-N 3.06Å; R260-C264 VanDerWaalsContact O-N 3.14Å; L262-C264 VanDerWaalsContact C-N 3.27Å; L262-C264 PolarHBondContact O-N 2.75Å; C264-D266 VanDerWaalsContact C-N 3.3Å; C264-D266 PolarHBondContact O-N 3.14Å; C264-R270 HydrophobicContact CB-CB 3.98Å; C264-R270 HydrophobicContact CB-CG 4.24Å; C264-R270 PolarHBondContact O-NE 3.49Å; C264-R270 PolarHBondContact O-NH2 3.3Å; C264-R270 VanDerWaalsContact O-NH2 3.17Å | ||
| 265 | I | 94.4 | Very high | 96.6 | Very high | 54 Ų | 54 | 46 Ų | 46 | 28% | 0.277 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -65.5 | -38.5 | 179.9 | -66 | 169 | 0 | 0 | 0 | 110.6 | P189 W209 F240 L263 V267 R270 | P189-I265 HydrophobicContact CB-CG2 4.37Å; P189-I265 HydrophobicContact CG-CG1 4.39Å; P189-I265 HydrophobicContact CG-CG2 4.17Å; W209-I265 HydrophobicContact CH2-CG1 4.06Å; W209-I265 HydrophobicContact CZ3-CG1 4.16Å; F240-I265 HydrophobicContact CB-CD1 4.16Å; F240-I265 WeakPolarHBondContact O-CD1 3.46Å; L263-I265 PolarHBondContact O-N 3.22Å; I265-V267 PolarHBondContact O-N 3.1Å; I265-R270 PolarHBondContact O-NH2 3.34Å |
| 266 | D | 92.7 | Very high | 96.6 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -70.1 | 108.9 | 175.1 | -176.1 | -10.8 | 0 | 0 | 0 | 109.9 | C264 Q268 K269 R270 | C264-D266 VanDerWaalsContact C-N 3.3Å; C264-D266 PolarHBondContact O-N 3.14Å; D266-Q268 PolarHBondContact O-N 2.9Å; D266-Q268 PolarHBondContact OD1-N 2.75Å; D266-Q268 VanDerWaalsContact OD1-N 3.11Å; D266-K269 HydrophobicContact CB-CB 4.28Å; D266-K269 HydrophobicContact CB-CD 4.24Å; D266-K269 HydrophobicContact CB-CG 4.4Å; D266-K269 PolarHBondContact O-N 3.04Å; D266-K269 VanDerWaalsContact OD2-CD 3.27Å; D266-K269 WeakPolarHBondContact OD2-CD 3.32Å; D266-K269 WeakPolarHBondContact OD2-CE 3.28Å; D266-K269 IonicContact OD2-NZ 3.27Å; D266-K269 PolarHBondContact OD2-NZ 2.65Å; D266-K269 VanDerWaalsContact OD2-NZ 3.14Å; D266-R270 PolarHBondContact O-N 2.81Å |
| 267 | V | 92.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 18% | 0.182 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -33.2 | -176.5 | -178.7 | 0 | 0 | 0 | 0 | 112 | E190 I265 K269 R270 | E190-V267 HydrophobicContact CB-CG2 4.01Å; E190-V267 HydrophobicContact CG-CG2 4.06Å; I265-V267 PolarHBondContact O-N 3.1Å; V267-K269 VanDerWaalsContact C-N 3.26Å; V267-K269 PolarHBondContact O-N 2.77Å; V267-R270 PolarHBondContact O-N 3.37Å |
| 268 | Q | 91.9 | Very high | 96.6 | Very high | 166 Ų | 166 | 49.5 Ų | 49.5 | 78% | 0.776 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -18.3 | -178.7 | -59.8 | -57.4 | -55.5 | 0 | 0 | 112.9 | D266 | D266-Q268 PolarHBondContact O-N 2.9Å; D266-Q268 PolarHBondContact OD1-N 2.75Å; D266-Q268 VanDerWaalsContact OD1-N 3.11Å |
| 269 | K | 94.8 | Very high | 96.6 | Very high | 150 Ų | 150 | 56.1 Ų | 56.1 | 65% | 0.652 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -7.9 | 178.7 | -64.3 | 177.6 | -173.1 | 153.1 | 0 | 112.8 | D266 V267 | D266-K269 HydrophobicContact CB-CB 4.28Å; D266-K269 HydrophobicContact CB-CD 4.24Å; D266-K269 HydrophobicContact CB-CG 4.4Å; D266-K269 PolarHBondContact O-N 3.04Å; D266-K269 VanDerWaalsContact OD2-CD 3.27Å; D266-K269 WeakPolarHBondContact OD2-CD 3.32Å; D266-K269 WeakPolarHBondContact OD2-CE 3.28Å; D266-K269 IonicContact OD2-NZ 3.27Å; D266-K269 PolarHBondContact OD2-NZ 2.65Å; D266-K269 VanDerWaalsContact OD2-NZ 3.14Å; V267-K269 VanDerWaalsContact C-N 3.26Å; V267-K269 PolarHBondContact O-N 2.77Å |
| 270 | R | 97.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -77 | 139.6 | 177.2 | -165.4 | -170.9 | -60.6 | 155.9 | 5.6 | 109.5 | E190 S205 K261 L262 C264 I265 D266 V267 S272 | E190-R270 IonicContact OE1-CZ 3.96Å; E190-R270 IonicContact OE1-NH1 3.67Å; E190-R270 PolarHBondContact OE1-NH1 2.93Å; E190-R270 IonicContact OE1-NH2 2.86Å; E190-R270 IonicContact OE2-CZ 2.74Å; E190-R270 IonicContact OE2-NH1 2.67Å; E190-R270 PolarHBondContact OE2-NH1 3.35Å; E190-R270 IonicContact OE2-NH2 2.95Å; E190-R270 PolarHBondContact OE2-NH2 3.08Å; S205-R270 PolarHBondContact O-NH1 3.37Å; K261-R270 WeakPolarHBondContact O-CA 3.49Å; K261-R270 WeakPolarHBondContact O-CG 3.43Å; L262-R270 VanDerWaalsContact O-CD 3.28Å; L262-R270 WeakPolarHBondContact O-CD 3.39Å; L262-R270 VanDerWaalsContact O-CG 3.26Å; L262-R270 WeakPolarHBondContact O-CG 3.43Å; C264-R270 HydrophobicContact CB-CB 3.98Å; C264-R270 HydrophobicContact CB-CG 4.24Å; C264-R270 PolarHBondContact O-NE 3.49Å; C264-R270 PolarHBondContact O-NH2 3.3Å; C264-R270 VanDerWaalsContact O-NH2 3.17Å; I265-R270 PolarHBondContact O-NH2 3.34Å; D266-R270 PolarHBondContact O-N 2.81Å; V267-R270 PolarHBondContact O-N 3.37Å; R270-S272 PolarHBondContact O-N 3.2Å |
| 271 | I | 97 | Very high | 96.5 | Very high | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | trans | -58.5 | 127.9 | 166.3 | -66.8 | 168.3 | 0 | 0 | 0 | 108.8 | W208 L258 K261 L262 E276 L277 L280 | W208-I271 WeakPolarHBondContact CB-O 3.07Å; W208-I271 HydrophobicContact CD2-CG2 4.35Å; W208-I271 HydrophobicContact CE3-CG2 3.65Å; W208-I271 HydrophobicContact CZ3-CG2 3.85Å; L258-I271 HydrophobicContact CD1-CD1 4.49Å; K261-I271 HydrophobicContact CB-CD1 3.5Å; K261-I271 HydrophobicContact CB-CG1 3.91Å; K261-I271 HydrophobicContact CD-CD1 4Å; K261-I271 HydrophobicContact CD-CG1 4.47Å; K261-I271 HydrophobicContact CG-CD1 4.41Å; K261-I271 PolarHBondContact O-N 3.17Å; L262-I271 HydrophobicContact CD2-CB 4.19Å; L262-I271 HydrophobicContact CD2-CG2 4.31Å; I271-E276 VanDerWaalsContact CA-OE2 3.31Å; I271-E276 WeakPolarHBondContact CA-OE2 3.49Å; I271-E276 HydrophobicContact CG2-CB 4.15Å; I271-L277 HydrophobicContact CD1-CD1 4.17Å; I271-L277 HydrophobicContact CG2-CB 4.15Å; I271-L280 HydrophobicContact CD1-CD1 3.76Å; I271-L280 HydrophobicContact CD1-CD2 4.31Å; I271-L280 HydrophobicContact CD1-CG 4.35Å | ||
| 272 | S | 95.6 | Very high | 96.5 | Very high | 23 Ų | 23 | 55.6 Ų | 55.6 | 16% | 0.161 | 29% | 0.291 | C | S | . | . | trans | -136.3 | -1.8 | -170.7 | 75.8 | 0 | 0 | 0 | 0 | 113.9 | R138 W208 R270 E276 | R138-S272 PolarHBondContact NH1-O 2.84Å; W208-S272 PolarHBondContact NE1-O 2.87Å; R270-S272 PolarHBondContact O-N 3.2Å; S272-E276 PolarHBondContact N-OE2 2.81Å; S272-E276 PolarHBondContact OG-OE1 3.43Å; S272-E276 PolarHBondContact OG-OE2 2.96Å | ||
| 273 | C | 96.9 | Very high | 96.4 | Very high | 26 Ų | 26 | 55.8 Ų | 55.8 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -151 | 165.5 | 175.1 | 71.2 | 0 | 0 | 0 | 0 | 112.6 | W208 A275 E276 L277 | W208-C273 VanDerWaalsContact CH2-C 3.4Å; W208-C273 WeakPolarHBondContact CH2-O 3.44Å; W208-C273 VanDerWaalsContact CZ2-CA 3.5Å; C273-A275 VanDerWaalsContact C-N 3.35Å; C273-A275 PolarHBondContact O-N 2.85Å; C273-E276 PolarHBondContact O-N 2.91Å; C273-E276 VanDerWaalsContact SG-CD 3.54Å; C273-E276 VanDerWaalsContact SG-CG 3.54Å; C273-L277 PolarHBondContact O-N 3.07Å |
| 274 | L | 98 | Very high | 96.4 | Very high | 34 Ų | 34 | 60.3 Ų | 60.3 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -41.4 | -178.8 | 179.7 | 63.2 | 0 | 0 | 0 | 112.3 | A131 L132 W208 E276 L277 Q278 W288 | A131-L274 HydrophobicContact CB-CD1 4.02Å; L132-L274 HydrophobicContact CD2-CD1 4.4Å; L132-L274 HydrophobicContact CD2-CD2 3.87Å; W208-L274 HydrophobicContact CH2-CB 4.43Å; L274-E276 PolarHBondContact O-N 3.32Å; L274-L277 WeakPolarHBondContact O-CB 3.4Å; L274-L277 PolarHBondContact O-N 3.25Å; L274-L277 VanDerWaalsContact O-N 3.13Å; L274-Q278 HydrophobicContact CD1-CG 4.19Å; L274-Q278 HydrophobicContact CG-CG 4.24Å; L274-Q278 VanDerWaalsContact O-CG 3.31Å; L274-Q278 WeakPolarHBondContact O-CG 3.33Å; L274-Q278 PolarHBondContact O-N 3.42Å; L274-W288 HydrophobicContact CD1-CE3 4.26Å; L274-W288 HydrophobicContact CD1-CH2 4.14Å; L274-W288 HydrophobicContact CD1-CZ3 3.75Å |
| 275 | A | 97.9 | Very high | 96.3 | Very high | 64 Ų | 64 | 64.4 Ų | 64.4 | 53% | 0.529 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C273 L277 Q278 D279 | C273-A275 VanDerWaalsContact C-N 3.35Å; C273-A275 PolarHBondContact O-N 2.85Å; A275-L277 VanDerWaalsContact C-N 3.29Å; A275-L277 PolarHBondContact O-N 3Å; A275-Q278 PolarHBondContact O-N 2.9Å; A275-D279 WeakPolarHBondContact O-CB 3.16Å; A275-D279 PolarHBondContact O-N 3.25Å |
| 276 | E | 98 | Very high | 96.5 | Very high | 79 Ų | 79 | 62.9 Ų | 62.9 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -32.7 | 176.4 | -73.8 | 165.2 | -159.6 | 0 | 0 | 113 | I271 S272 C273 L274 | I271-E276 VanDerWaalsContact CA-OE2 3.31Å; I271-E276 WeakPolarHBondContact CA-OE2 3.49Å; I271-E276 HydrophobicContact CG2-CB 4.15Å; S272-E276 PolarHBondContact N-OE2 2.81Å; S272-E276 PolarHBondContact OG-OE1 3.43Å; S272-E276 PolarHBondContact OG-OE2 2.96Å; C273-E276 PolarHBondContact O-N 2.91Å; C273-E276 VanDerWaalsContact SG-CD 3.54Å; C273-E276 VanDerWaalsContact SG-CG 3.54Å; L274-E276 PolarHBondContact O-N 3.32Å |
| 277 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.8 | -42.9 | 174.4 | -173.8 | 73.5 | 0 | 0 | 0 | 111 | I127 A131 W208 L258 I271 C273 L274 A275 D279 L280 M283 W288 | I127-L277 HydrophobicContact CG2-CD1 4.39Å; I127-L277 HydrophobicContact CG2-CD2 4.06Å; A131-L277 HydrophobicContact CB-CD2 3.32Å; W208-L277 HydrophobicContact CH2-CB 4.42Å; W208-L277 HydrophobicContact CZ3-CB 4.03Å; W208-L277 HydrophobicContact CZ3-CD2 4.02Å; W208-L277 HydrophobicContact CZ3-CG 4.46Å; L258-L277 HydrophobicContact CD1-CD1 3.51Å; I271-L277 HydrophobicContact CD1-CD1 4.17Å; I271-L277 HydrophobicContact CG2-CB 4.15Å; C273-L277 PolarHBondContact O-N 3.07Å; L274-L277 WeakPolarHBondContact O-CB 3.4Å; L274-L277 PolarHBondContact O-N 3.25Å; L274-L277 VanDerWaalsContact O-N 3.13Å; A275-L277 VanDerWaalsContact C-N 3.29Å; A275-L277 PolarHBondContact O-N 3Å; L277-D279 VanDerWaalsContact C-N 3.27Å; L277-D279 PolarHBondContact O-N 3.28Å; L277-L280 HydrophobicContact CD1-CD1 3.96Å; L277-L280 WeakPolarHBondContact O-CB 3.21Å; L277-L280 VanDerWaalsContact O-CG 3.32Å; L277-L280 WeakPolarHBondContact O-CG 3.09Å; L277-L280 PolarHBondContact O-N 3.25Å; L277-M283 HydrophobicContact CD1-CE 3.92Å; L277-M283 HydrophobicContact CG-CE 4.22Å; L277-M283 HydrophobicContact CG-CG 4.48Å; L277-M283 WeakPolarHBondContact O-CG 3.37Å; L277-W288 HydrophobicContact CD2-CH2 3.83Å; L277-W288 HydrophobicContact CG-CH2 4.42Å |
| 278 | Q | 98.1 | Very high | 97 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -33.2 | 179.7 | -74 | 178.5 | -39.1 | 0 | 0 | 112.7 | L274 A275 L280 W288 | L274-Q278 HydrophobicContact CD1-CG 4.19Å; L274-Q278 HydrophobicContact CG-CG 4.24Å; L274-Q278 VanDerWaalsContact O-CG 3.31Å; L274-Q278 WeakPolarHBondContact O-CG 3.33Å; L274-Q278 PolarHBondContact O-N 3.42Å; A275-Q278 PolarHBondContact O-N 2.9Å; Q278-L280 PolarHBondContact O-N 3.32Å; Q278-W288 HydrophobicContact CB-CZ2 4.45Å; Q278-W288 HydrophobicContact CG-CD2 3.97Å; Q278-W288 VanDerWaalsContact CG-CE2 3.48Å; Q278-W288 HydrophobicContact CG-CG 4.46Å; Q278-W288 HydrophobicContact CG-CH2 4.17Å; Q278-W288 HydrophobicContact CG-CZ2 3.59Å |
| 279 | D | 97.6 | Very high | 97.3 | Very high | 141 Ų | 141 | 61.8 Ų | 61.8 | 75% | 0.754 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -6 | -180 | -165.7 | 59.5 | 0 | 0 | 0 | 113.9 | A275 L277 | A275-D279 WeakPolarHBondContact O-CB 3.16Å; A275-D279 PolarHBondContact O-N 3.25Å; L277-D279 VanDerWaalsContact C-N 3.27Å; L277-D279 PolarHBondContact O-N 3.28Å |
| 280 | L | 97.6 | Very high | 97.5 | Very high | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -71.6 | 136.4 | 176.1 | -60.2 | -178 | 0 | 0 | 0 | 111.5 | L258 K261 I271 L277 Q278 Y282 M283 | L258-L280 HydrophobicContact CD1-CD1 3.59Å; K261-L280 HydrophobicContact CD-CD2 3.53Å; I271-L280 HydrophobicContact CD1-CD1 3.76Å; I271-L280 HydrophobicContact CD1-CD2 4.31Å; I271-L280 HydrophobicContact CD1-CG 4.35Å; L277-L280 HydrophobicContact CD1-CD1 3.96Å; L277-L280 WeakPolarHBondContact O-CB 3.21Å; L277-L280 VanDerWaalsContact O-CG 3.32Å; L277-L280 WeakPolarHBondContact O-CG 3.09Å; L277-L280 PolarHBondContact O-N 3.25Å; Q278-L280 PolarHBondContact O-N 3.32Å; L280-Y282 PolarHBondContact O-N 3.28Å; L280-M283 HydrophobicContact CB-CG 4.15Å; L280-M283 WeakPolarHBondContact O-CA 3.45Å; L280-M283 PolarHBondContact O-N 2.75Å |
| 281 | D | 97 | Very high | 97.5 | Very high | 148 Ų | 148 | 54.8 Ų | 54.8 | 79% | 0.791 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -51.1 | -36.8 | 172 | -64 | -28.5 | 0 | 0 | 0 | 112.6 | M283 S284 | D281-M283 PolarHBondContact O-N 3.06Å; D281-S284 VanDerWaalsContact O-CB 3.29Å; D281-S284 WeakPolarHBondContact O-CB 3.39Å; D281-S284 PolarHBondContact O-N 3.49Å; D281-S284 VanDerWaalsContact O-N 3.15Å; D281-S284 PolarHBondContact O-OG 3.5Å |
| 282 | Y | 97.5 | Very high | 97.6 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 17% | 0.169 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -65.7 | -16.9 | 178.1 | -173.7 | -136 | 0 | 0 | 0 | 114 | K124 E254 M255 L258 L280 D285 | K124-Y282 HydrophobicContact CB-CE1 4.48Å; K124-Y282 HydrophobicContact CD-CE1 3.91Å; K124-Y282 HydrophobicContact CD-CE2 4.07Å; K124-Y282 WeakPolarHBondContact CE-O 3.27Å; K124-Y282 HydrophobicContact CG-CE1 3.92Å; K124-Y282 PolarHBondContact NZ-O 3.26Å; E254-Y282 HydrophobicContact CB-CD1 4.24Å; E254-Y282 HydrophobicContact CB-CD2 3.26Å; E254-Y282 HydrophobicContact CB-CE2 3.6Å; E254-Y282 HydrophobicContact CB-CG 3.61Å; E254-Y282 HydrophobicContact CG-CD2 3.86Å; E254-Y282 HydrophobicContact CG-CE2 4.36Å; E254-Y282 HydrophobicContact CG-CG 4.45Å; M255-Y282 HydrophobicContact CE-CE1 4.33Å; L258-Y282 HydrophobicContact CB-CD1 4.21Å; L258-Y282 HydrophobicContact CD2-CD1 3.93Å; L258-Y282 HydrophobicContact CD2-CE1 3.92Å; L280-Y282 PolarHBondContact O-N 3.28Å; Y282-D285 VanDerWaalsContact O-OD1 3.09Å |
| 283 | M | 97.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -100.7 | 1.9 | 177.6 | -59.7 | -56 | 174.4 | 0 | 0 | 113.1 | L258 L277 L280 D281 D285 V286 W288 | L258-M283 HydrophobicContact CD1-CE 3.95Å; L258-M283 HydrophobicContact CD2-CE 3.58Å; L258-M283 HydrophobicContact CG-CE 4.4Å; L277-M283 HydrophobicContact CD1-CE 3.92Å; L277-M283 HydrophobicContact CG-CE 4.22Å; L277-M283 HydrophobicContact CG-CG 4.48Å; L277-M283 WeakPolarHBondContact O-CG 3.37Å; L280-M283 HydrophobicContact CB-CG 4.15Å; L280-M283 WeakPolarHBondContact O-CA 3.45Å; L280-M283 PolarHBondContact O-N 2.75Å; D281-M283 PolarHBondContact O-N 3.06Å; M283-D285 PolarHBondContact O-N 3.08Å; M283-V286 HydrophobicContact CB-CG2 4.43Å; M283-V286 WeakPolarHBondContact O-CB 3.41Å; M283-V286 PolarHBondContact O-N 2.84Å; M283-V286 HydrophobicContact SD-CG2 4.02Å; M283-W288 HydrophobicContact CB-CZ2 4.18Å; M283-W288 HydrophobicContact CG-CZ2 4.26Å; M283-W288 HydrophobicContact SD-CZ2 4.48Å |
| 284 | S | 96.4 | Very high | 97.7 | Very high | 106 Ų | 106 | 62.8 Ų | 62.8 | 74% | 0.741 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24.9 | -177.9 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | D281 | D281-S284 VanDerWaalsContact O-CB 3.29Å; D281-S284 WeakPolarHBondContact O-CB 3.39Å; D281-S284 PolarHBondContact O-N 3.49Å; D281-S284 VanDerWaalsContact O-N 3.15Å; D281-S284 PolarHBondContact O-OG 3.5Å |
| 285 | D | 95.9 | Very high | 97.7 | Very high | 115 Ų | 115 | 67.4 Ų | 67.4 | 62% | 0.615 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -4.3 | 176.9 | 64.5 | -38.4 | 0 | 0 | 0 | 113.6 | K124 Y282 M283 | K124-D285 IonicContact NZ-OD1 3.71Å; K124-D285 PolarHBondContact NZ-OD1 3.08Å; K124-D285 IonicContact NZ-OD2 3.47Å; K124-D285 PolarHBondContact NZ-OD2 3.23Å; Y282-D285 VanDerWaalsContact O-OD1 3.09Å; M283-D285 PolarHBondContact O-N 3.08Å |
| 286 | V | 97.6 | Very high | 97.5 | Very high | 23 Ų | 23 | 67.5 Ų | 67.5 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | trans | -87.7 | 117.1 | -175.3 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | M283 W288 V291 | M283-V286 HydrophobicContact CB-CG2 4.43Å; M283-V286 WeakPolarHBondContact O-CB 3.41Å; M283-V286 PolarHBondContact O-N 2.84Å; M283-V286 HydrophobicContact SD-CG2 4.02Å; V286-W288 HydrophobicContact CG1-CD2 4.01Å; V286-W288 HydrophobicContact CG1-CG 4.27Å; V286-W288 HydrophobicContact CG1-CZ2 4.21Å; V286-W288 VanDerWaalsContact O-CD1 3.27Å; V286-W288 PolarHBondContact O-N 2.69Å; V286-V291 HydrophobicContact CG1-CG2 3.77Å | ||
| 287 | N | 97.9 | Very high | 97.2 | Very high | 89 Ų | 89 | 68.8 Ų | 68.8 | 48% | 0.476 | 37% | 0.367 | S | S | . | . | trans | -81.1 | 99.1 | 166.1 | -177.8 | -22.6 | 0 | 0 | 0 | 109.9 | D289 A290 V291 | N287-D289 PolarHBondContact O-N 3.35Å; N287-D289 PolarHBondContact OD1-N 2.76Å; N287-A290 HydrophobicContact CB-CB 3.86Å; N287-A290 WeakPolarHBondContact O-CB 3.34Å; N287-A290 PolarHBondContact O-N 2.92Å; N287-A290 PolarHBondContact OD1-N 2.75Å; N287-V291 WeakPolarHBondContact O-CG2 3.44Å; N287-V291 PolarHBondContact O-N 2.94Å | ||
| 288 | W | 98.2 | Very high | 96.8 | Very high | 37 Ų | 37 | 69 Ų | 69 | 14% | 0.14 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.1 | -31.6 | -175.5 | -68.6 | 91.6 | 0 | 0 | 0 | 114.3 | C128 L132 L274 L277 Q278 M283 V286 V291 L292 | C128-W288 HydrophobicContact CB-CH2 4Å; C128-W288 HydrophobicContact CB-CZ3 3.83Å; L132-W288 HydrophobicContact CD1-CE3 4.29Å; L132-W288 HydrophobicContact CD2-CE3 4.09Å; L132-W288 HydrophobicContact CG-CE3 4.07Å; L132-W288 HydrophobicContact CG-CZ3 4.23Å; L274-W288 HydrophobicContact CD1-CE3 4.26Å; L274-W288 HydrophobicContact CD1-CH2 4.14Å; L274-W288 HydrophobicContact CD1-CZ3 3.75Å; L277-W288 HydrophobicContact CD2-CH2 3.83Å; L277-W288 HydrophobicContact CG-CH2 4.42Å; Q278-W288 HydrophobicContact CB-CZ2 4.45Å; Q278-W288 HydrophobicContact CG-CD2 3.97Å; Q278-W288 VanDerWaalsContact CG-CE2 3.48Å; Q278-W288 HydrophobicContact CG-CG 4.46Å; Q278-W288 HydrophobicContact CG-CH2 4.17Å; Q278-W288 HydrophobicContact CG-CZ2 3.59Å; M283-W288 HydrophobicContact CB-CZ2 4.18Å; M283-W288 HydrophobicContact CG-CZ2 4.26Å; M283-W288 HydrophobicContact SD-CZ2 4.48Å; V286-W288 HydrophobicContact CG1-CD2 4.01Å; V286-W288 HydrophobicContact CG1-CG 4.27Å; V286-W288 HydrophobicContact CG1-CZ2 4.21Å; V286-W288 VanDerWaalsContact O-CD1 3.27Å; V286-W288 PolarHBondContact O-N 2.69Å; W288-V291 PolarHBondContact O-N 3.41Å; W288-L292 WeakPolarHBondContact O-CB 3.38Å; W288-L292 PolarHBondContact O-N 3.41Å |
| 289 | D | 98.2 | Very high | 96.4 | Very high | 114 Ų | 114 | 68.5 Ų | 68.5 | 61% | 0.61 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68.3 | -39.7 | 173.5 | -67.3 | -48.3 | 0 | 0 | 0 | 110.8 | N287 V291 L292 N293 | N287-D289 PolarHBondContact O-N 3.35Å; N287-D289 PolarHBondContact OD1-N 2.76Å; D289-V291 VanDerWaalsContact C-N 3.33Å; D289-L292 PolarHBondContact O-N 3.09Å; D289-N293 WeakPolarHBondContact O-CB 3.37Å; D289-N293 PolarHBondContact O-N 3Å; D289-N293 PolarHBondContact O-ND2 2.85Å |
| 290 | A | 98.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 63.9 Ų | 63.9 | 5% | 0.05 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | N287 K294 Q295 L296 | N287-A290 HydrophobicContact CB-CB 3.86Å; N287-A290 WeakPolarHBondContact O-CB 3.34Å; N287-A290 PolarHBondContact O-N 2.92Å; N287-A290 PolarHBondContact OD1-N 2.75Å; A290-K294 PolarHBondContact O-N 3.34Å; A290-Q295 HydrophobicContact CB-CB 4.1Å; A290-Q295 WeakPolarHBondContact O-CB 3.42Å; A290-Q295 PolarHBondContact O-N 3.46Å; A290-L296 HydrophobicContact CB-CD2 4.11Å; A290-L296 HydrophobicContact CB-CG 4.06Å |
| 291 | V | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.5 | -55.8 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | F82 L125 C128 E129 L132 V286 N287 W288 D289 N293 K294 L296 | F82-V291 HydrophobicContact CE2-CG1 4.16Å; F82-V291 HydrophobicContact CZ-CG1 4.12Å; F82-V291 WeakPolarHBondContact CZ-O 3.49Å; L125-V291 HydrophobicContact CD1-CG1 4.24Å; L125-V291 HydrophobicContact CD1-CG2 4Å; C128-V291 HydrophobicContact CB-CG1 4.15Å; C128-V291 HydrophobicContact CB-CG2 4.35Å; E129-V291 HydrophobicContact CG-CG1 3.78Å; L132-V291 HydrophobicContact CD1-CB 4.05Å; L132-V291 HydrophobicContact CD1-CG1 3.58Å; V286-V291 HydrophobicContact CG1-CG2 3.77Å; N287-V291 WeakPolarHBondContact O-CG2 3.44Å; N287-V291 PolarHBondContact O-N 2.94Å; W288-V291 PolarHBondContact O-N 3.41Å; D289-V291 VanDerWaalsContact C-N 3.33Å; V291-N293 PolarHBondContact O-N 3.37Å; V291-N293 VanDerWaalsContact O-N 3.14Å; V291-K294 WeakPolarHBondContact O-CA 3.5Å; V291-K294 PolarHBondContact O-N 3.03Å; V291-L296 HydrophobicContact CG2-CD1 3.76Å |
| 292 | L | 98.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 61.1 Ų | 61.1 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -54.8 | -38.1 | -177.2 | -176.9 | 63.2 | 0 | 0 | 0 | 112.8 | P81 L132 W288 D289 K294 | P81-L292 HydrophobicContact CG-CD1 4.07Å; L132-L292 HydrophobicContact CD1-CB 4.14Å; L132-L292 HydrophobicContact CD1-CD1 4.37Å; W288-L292 WeakPolarHBondContact O-CB 3.38Å; W288-L292 PolarHBondContact O-N 3.41Å; D289-L292 PolarHBondContact O-N 3.09Å; L292-K294 VanDerWaalsContact C-N 3.28Å; L292-K294 PolarHBondContact O-N 3Å |
| 293 | N | 98 | Very high | 95 | Very high | 102 Ų | 102 | 63 Ų | 63 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 9 | 178 | -66.9 | -59.3 | 0 | 0 | 0 | 114 | D289 V291 Q295 | D289-N293 WeakPolarHBondContact O-CB 3.37Å; D289-N293 PolarHBondContact O-N 3Å; D289-N293 PolarHBondContact O-ND2 2.85Å; V291-N293 PolarHBondContact O-N 3.37Å; V291-N293 VanDerWaalsContact O-N 3.14Å; N293-Q295 HydrophobicContact CB-CG 3.97Å; N293-Q295 PolarHBondContact O-N 3.2Å |
| 294 | K | 97.8 | Very high | 94.1 | Very high | 63 Ų | 63 | 70.7 Ų | 70.7 | 27% | 0.274 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 36.1 | -179.8 | -64.9 | -176.2 | 174.6 | -172.9 | 0 | 113.9 | P81 F82 D155 H159 H161 A290 V291 L292 | P81-K294 VanDerWaalsContact O-CE 3.22Å; P81-K294 WeakPolarHBondContact O-CE 3.48Å; P81-K294 PolarHBondContact O-NZ 3.43Å; F82-K294 HydrophobicContact CE1-CD 4.35Å; F82-K294 HydrophobicContact CE1-CG 3.78Å; F82-K294 HydrophobicContact CZ-CG 3.97Å; D155-K294 IonicContact OD2-NZ 3.41Å; D155-K294 PolarHBondContact OD2-NZ 3.44Å; H159-K294 HydrophobicContact CB-CD 4.39Å; H161-K294 PolarHBondContact CE1-NZ 3.34Å; H161-K294 PolarHBondContact NE2-NZ 3.4Å; A290-K294 PolarHBondContact O-N 3.34Å; V291-K294 WeakPolarHBondContact O-CA 3.5Å; V291-K294 PolarHBondContact O-N 3.03Å; L292-K294 VanDerWaalsContact C-N 3.28Å; L292-K294 PolarHBondContact O-N 3Å |
| 295 | Q | 97.3 | Very high | 92.8 | Very high | 132 Ų | 132 | 76.9 Ų | 76.9 | 62% | 0.617 | 39% | 0.391 | S | S | * | . | trans | -87.1 | -16.3 | -179.4 | -64.6 | 178 | -11.8 | 0 | 0 | 112.8 | A290 N293 P297 | A290-Q295 HydrophobicContact CB-CB 4.1Å; A290-Q295 WeakPolarHBondContact O-CB 3.42Å; A290-Q295 PolarHBondContact O-N 3.46Å; N293-Q295 HydrophobicContact CB-CG 3.97Å; N293-Q295 PolarHBondContact O-N 3.2Å; Q295-P297 WeakPolarHBondContact O-CD 3Å | ||
| 296 | L | 94.4 | Very high | 91.7 | Very high | 65 Ų | 65 | 80.4 Ų | 80.4 | 34% | 0.34 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -95.1 | 107.9 | 176.4 | -57 | -172.5 | 0 | 0 | 0 | 109.6 | L125 H159 A290 V291 P298 | L125-L296 HydrophobicContact CD1-CB 4.23Å; L125-L296 HydrophobicContact CD1-CD1 4.42Å; L125-L296 HydrophobicContact CD2-CB 4.32Å; L125-L296 WeakPolarHBondContact CD2-O 3.26Å; H159-L296 PolarHBondContact CE1-O 3Å; H159-L296 VanDerWaalsContact CE1-O 3.26Å; A290-L296 HydrophobicContact CB-CD2 4.11Å; A290-L296 HydrophobicContact CB-CG 4.06Å; V291-L296 HydrophobicContact CG2-CD1 3.76Å; L296-P298 WeakPolarHBondContact O-CD 3.43Å |
| 297 | P | 90.1 | Very high | 90.5 | Very high | 106 Ų | 106 | 81.5 Ų | 81.5 | 69% | 0.688 | 40% | 0.4 | S | S | * | . | trans | -72.3 | 130.7 | -178.1 | 28.3 | -33.6 | 0 | 0 | 0 | 110.8 | Q295 | Q295-P297 WeakPolarHBondContact O-CD 3Š| ||
| 298 | P | 91.3 | Very high | 89.6 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 3% | 0.032 | 38% | 0.381 | C | S | . | . | trans | -64.5 | 145 | 173.5 | -24.6 | 37.2 | 0 | 0 | 0 | 112.4 | L125 Y126 G158 L296 F300 | L125-P298 HydrophobicContact CD2-CB 4.1Å; L125-P298 HydrophobicContact CD2-CG 3.75Å; Y126-P298 HydrophobicContact CE1-CB 3.88Å; Y126-P298 HydrophobicContact CE1-CG 4.28Å; G158-P298 WeakPolarHBondContact O-CG 3.42Å; L296-P298 WeakPolarHBondContact O-CD 3.43Å; P298-F300 PolarHBondContact O-N 3.11Å; P298-F300 VanDerWaalsContact O-N 3.15Å | ||
| 299 | G | 89.8 | Confident | 88.4 | Confident | 65 Ų | 65 | 76.7 Ų | 76.7 | 67% | 0.67 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -67.8 | -12.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 300 | F | 93.1 | Very high | 87.1 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 19% | 0.193 | 37% | 0.367 | C | S | . | . | trans | -114.1 | 123.9 | 175 | 175.4 | -98.9 | 0 | 0 | 0 | 109.8 | H111 V116 F118 T122 L154 P298 P302 | H111-F300 AromaticContact CE1-CE1 3.85Å; H111-F300 AromaticContact CE1-CZ 3.8Å; H111-F300 AromaticContact ND1-CE1 3.75Å; H111-F300 AromaticContact ND1-CZ 3.43Å; H111-F300 WeakPolarHBondContact ND1-CZ 3.28Å; V116-F300 HydrophobicContact CG1-CD2 3.83Å; V116-F300 HydrophobicContact CG1-CE2 3.52Å; V116-F300 HydrophobicContact CG1-CZ 4.01Å; V116-F300 HydrophobicContact CG2-CE2 4.14Å; V116-F300 HydrophobicContact CG2-CZ 4.23Å; F118-F300 HydrophobicContact CD1-CB 4.1Å; F118-F300 HydrophobicContact CD1-CD1 4.46Å; F118-F300 HydrophobicContact CD1-CG 4.2Å; F118-F300 HydrophobicContact CE1-CB 4.1Å; F118-F300 AromaticContact CE1-CD1 3.63Å; F118-F300 HydrophobicContact CE1-CD1 3.63Å; F118-F300 HydrophobicContact CE1-CD2 4.35Å; F118-F300 HydrophobicContact CE1-CE1 4.09Å; F118-F300 AromaticContact CE1-CG 3.75Å; F118-F300 HydrophobicContact CE1-CG 3.75Å; F118-F300 HydrophobicContact CZ-CD1 4.45Å; F118-F300 HydrophobicContact CZ-CE1 4.5Å; T122-F300 HydrophobicContact CG2-CB 4.04Å; L154-F300 HydrophobicContact CD1-CD1 3.95Å; L154-F300 HydrophobicContact CD1-CE1 3.74Å; P298-F300 PolarHBondContact O-N 3.11Å; P298-F300 VanDerWaalsContact O-N 3.15Å; F300-P302 HydrophobicContact CE1-CG 4.02Å | ||
| 301 | I | 91.6 | Very high | 85.6 | Confident | 101 Ų | 101 | 77.8 Ų | 77.8 | 52% | 0.518 | 39% | 0.387 | S | S | . | . | trans | -117.1 | 120.2 | 177.1 | -58 | 176.6 | 0 | 0 | 0 | 108.3 | ||||
| 302 | P | 88.4 | Confident | 84.1 | Confident | 5 Ų | 5 | 81 Ų | 81 | 3% | 0.032 | 41% | 0.407 | C | S | . | . | trans | -58.9 | 151.5 | 176.8 | -25.2 | 34.3 | 0 | 0 | 0 | 113.1 | L154 F300 R304 | L154-P302 HydrophobicContact CB-CG 3.81Å; L154-P302 HydrophobicContact CD1-CG 3.67Å; L154-P302 HydrophobicContact CG-CG 4.38Å; F300-P302 HydrophobicContact CE1-CG 4.02Å; P302-R304 PolarHBondContact O-N 2.91Å; P302-R304 VanDerWaalsContact O-N 3.15Å | ||
| 303 | N | 85.4 | Confident | 82.6 | Confident | 84 Ų | 84 | 80.8 Ų | 80.8 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | trans | -70 | 115.5 | 178.1 | -169.8 | -28.5 | 0 | 0 | 0 | 110.6 | R305 R306 N308 | N303-R305 VanDerWaalsContact C-N 3.27Å; N303-R305 PolarHBondContact O-N 3.39Å; N303-R305 WeakPolarHBondContact OD1-CB 3.46Å; N303-R305 PolarHBondContact OD1-N 3.2Å; N303-R306 VanDerWaalsContact O-O 3.07Å; N303-N308 PolarHBondContact O-ND2 3.43Å; N303-N308 VanDerWaalsContact O-ND2 3.17Å | ||
| 304 | R | 80 | Confident | 80.9 | Confident | 163 Ų | 163 | 78.1 Ų | 78.1 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -17 | -179.4 | -64.6 | -177.7 | 172.6 | -165.4 | -7.1 | 114.5 | E156 H157 P302 | E156-R304 PolarHBondContact O-NE 3.23Å; E156-R304 VanDerWaalsContact O-NE 3.08Å; E156-R304 PolarHBondContact O-NH2 2.98Å; H157-R304 PolarHBondContact CD2-NH2 3.04Å; H157-R304 VanDerWaalsContact CD2-NH2 3.31Å; H157-R304 PolarHBondContact NE2-NH2 2.56Å; P302-R304 PolarHBondContact O-N 2.91Å; P302-R304 VanDerWaalsContact O-N 3.15Å |
| 305 | R | 69.6 | Low | 78.9 | Confident | 237 Ų | 237 | 79.7 Ų | 79.7 | 89% | 0.894 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9.1 | -176.2 | -61.4 | -175.4 | -179.1 | 179.1 | 1.3 | 113.3 | N303 | N303-R305 VanDerWaalsContact C-N 3.27Å; N303-R305 PolarHBondContact O-N 3.39Å; N303-R305 WeakPolarHBondContact OD1-CB 3.46Å; N303-R305 PolarHBondContact OD1-N 3.2Å |
| 306 | R | 72.3 | Confident | 77.1 | Confident | 188 Ų | 188 | 76.4 Ų | 76.4 | 71% | 0.709 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -128.8 | 147.1 | -178.8 | -66.5 | -173 | 177.9 | -168.7 | -0.4 | 109.2 | N303 N308 | N303-R306 VanDerWaalsContact O-O 3.07Å; R306-N308 PolarHBondContact O-N 3.45Å; R306-N308 PolarHBondContact O-ND2 3.34Å |
| 307 | L | 72.3 | Confident | 75.4 | Confident | 47 Ų | 47 | 75.1 Ų | 75.1 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | trans | -70.7 | 122.3 | 163.5 | -102.3 | 133.6 | 0 | 0 | 0 | 108 | R27 I29 I39 C309 | R27-L307 VanDerWaalsContact CD-CD1 3.4Å; I29-L307 HydrophobicContact CB-CD2 4.45Å; I29-L307 HydrophobicContact CG2-CD2 3.54Å; I39-L307 HydrophobicContact CD1-CD2 4.26Å; L307-C309 PolarHBondContact O-N 3.36Å; L307-C309 VanDerWaalsContact O-N 3.11Å | ||
| 308 | N | 78.5 | Confident | 73.7 | Confident | 12 Ų | 12 | 77.5 Ų | 77.5 | 6% | 0.064 | 38% | 0.38 | C | S | . | . | trans | -87.3 | 47.3 | -179.4 | -57.7 | -66.2 | 0 | 0 | 0 | 110 | L104 G105 G106 Y110 N303 R306 | L104-N308 PolarHBondContact O-ND2 3.22Å; G105-N308 VanDerWaalsContact O-CB 3.29Å; G105-N308 WeakPolarHBondContact O-CB 3.19Å; G106-N308 VanDerWaalsContact CA-O 3.27Å; G106-N308 WeakPolarHBondContact CA-O 3.43Å; Y110-N308 HydrophobicContact CD1-CB 4.05Å; Y110-N308 WeakPolarHBondContact CD1-O 3.43Å; Y110-N308 HydrophobicContact CE1-CB 3.91Å; N303-N308 PolarHBondContact O-ND2 3.43Å; N303-N308 VanDerWaalsContact O-ND2 3.17Å; R306-N308 PolarHBondContact O-N 3.45Å; R306-N308 PolarHBondContact O-ND2 3.34Å | ||
| 309 | C | 74.1 | Confident | 72 | Confident | 13 Ų | 13 | 83.5 Ų | 83.5 | 9% | 0.088 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -130.2 | 170.9 | 177.1 | 68.7 | 0 | 0 | 0 | 0 | 109.8 | L307 P311 | L307-C309 PolarHBondContact O-N 3.36Å; L307-C309 VanDerWaalsContact O-N 3.11Å; C309-P311 WeakPolarHBondContact O-CD 3.06Å |
| 310 | D | 70.6 | Confident | 70.2 | Confident | 68 Ų | 68 | 86.2 Ų | 86.2 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | trans | -63.4 | 119.2 | 177.5 | -168.6 | -32.7 | 0 | 0 | 0 | 110.5 | T312 F313 | D310-T312 PolarHBondContact O-N 2.91Å; D310-T312 VanDerWaalsContact O-N 3.17Å; D310-T312 VanDerWaalsContact OD1-CB 3.28Å; D310-T312 WeakPolarHBondContact OD1-CB 3.24Å; D310-T312 VanDerWaalsContact OD1-CG2 3.26Å; D310-T312 WeakPolarHBondContact OD1-CG2 3.2Å; D310-T312 PolarHBondContact OD1-N 3.47Å; D310-T312 PolarHBondContact OD1-OG1 3.16Å; D310-T312 PolarHBondContact OD2-OG1 3.43Å; D310-F313 HydrophobicContact CB-CD2 3.86Å; D310-F313 HydrophobicContact CB-CE2 3.6Å; D310-F313 HydrophobicContact CB-CZ 4.23Å; D310-F313 VanDerWaalsContact O-CD2 3.24Å; D310-F313 WeakPolarHBondContact O-CD2 3.29Å; D310-F313 PolarHBondContact O-N 3.05Å | ||
| 311 | P | 65.6 | Low | 68.2 | Low | 75 Ų | 75 | 86.9 Ų | 86.9 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.1 | -178.8 | 26.8 | -34.2 | 0 | 0 | 0 | 113.2 | C309 F313 E314 L315 | C309-P311 WeakPolarHBondContact O-CD 3.06Å; P311-F313 PolarHBondContact O-N 3.11Å; P311-E314 PolarHBondContact O-N 2.74Å; P311-L315 WeakPolarHBondContact O-CD1 3.38Å; P311-L315 PolarHBondContact O-N 3.42Å |
| 312 | T | 66.8 | Low | 65.7 | Low | 68 Ų | 68 | 87.8 Ų | 87.8 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.3 | -26.2 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | D310 E314 L315 E316 | D310-T312 PolarHBondContact O-N 2.91Å; D310-T312 VanDerWaalsContact O-N 3.17Å; D310-T312 VanDerWaalsContact OD1-CB 3.28Å; D310-T312 WeakPolarHBondContact OD1-CB 3.24Å; D310-T312 VanDerWaalsContact OD1-CG2 3.26Å; D310-T312 WeakPolarHBondContact OD1-CG2 3.2Å; D310-T312 PolarHBondContact OD1-N 3.47Å; D310-T312 PolarHBondContact OD1-OG1 3.16Å; D310-T312 PolarHBondContact OD2-OG1 3.43Å; T312-E314 PolarHBondContact O-N 3.41Å; T312-L315 PolarHBondContact O-N 3.4Å; T312-E316 WeakPolarHBondContact O-CB 3.33Å; T312-E316 WeakPolarHBondContact O-CG 3.38Å; T312-E316 PolarHBondContact O-N 3.45Å |
| 313 | F | 67.6 | Low | 63.7 | Low | 53 Ų | 53 | 94.5 Ų | 94.5 | 23% | 0.232 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 176.2 | -60.4 | -47.5 | 0 | 0 | 0 | 112.6 | I29 K31 D310 P311 E317 | I29-F313 WeakPolarHBondContact O-CD2 3.35Å; K31-F313 HydrophobicContact CB-CD1 3.92Å; K31-F313 HydrophobicContact CB-CE1 3.6Å; D310-F313 HydrophobicContact CB-CD2 3.86Å; D310-F313 HydrophobicContact CB-CE2 3.6Å; D310-F313 HydrophobicContact CB-CZ 4.23Å; D310-F313 VanDerWaalsContact O-CD2 3.24Å; D310-F313 WeakPolarHBondContact O-CD2 3.29Å; D310-F313 PolarHBondContact O-N 3.05Å; P311-F313 PolarHBondContact O-N 3.11Å; F313-E317 PolarHBondContact O-N 3Å |
| 314 | E | 61.5 | Low | 61.8 | Low | 47 Ų | 47 | 95.1 Ų | 95.1 | 22% | 0.22 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -70.1 | -41.9 | 174.6 | -67.1 | -175.7 | -161.1 | 0 | 0 | 111 | R27 P311 T312 E317 M318 | R27-E314 VanDerWaalsContact CD-OE1 3.26Å; R27-E314 WeakPolarHBondContact CD-OE1 3.22Å; R27-E314 HydrophobicContact CG-CG 4.13Å; R27-E314 IonicContact CZ-OE1 3.58Å; R27-E314 IonicContact CZ-OE2 2.66Å; R27-E314 IonicContact NE-OE1 3.75Å; R27-E314 VanDerWaalsContact NH1-CD 3.26Å; R27-E314 IonicContact NH1-OE1 2.64Å; R27-E314 PolarHBondContact NH1-OE1 3.02Å; R27-E314 IonicContact NH1-OE2 3.77Å; R27-E314 PolarHBondContact NH1-OE2 2.93Å; P311-E314 PolarHBondContact O-N 2.74Å; T312-E314 PolarHBondContact O-N 3.41Å; E314-E317 WeakPolarHBondContact O-CB 3.23Å; E314-E317 PolarHBondContact O-N 2.97Å; E314-M318 WeakPolarHBondContact O-CG 3.23Å; E314-M318 PolarHBondContact O-N 3.48Å |
| 315 | L | 57.2 | Low | 60.5 | Low | 96 Ų | 96 | 90.1 Ų | 90.1 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 177.9 | -93.3 | 84.5 | 0 | 0 | 0 | 112.3 | P311 T312 E317 M318 I319 | P311-L315 WeakPolarHBondContact O-CD1 3.38Å; P311-L315 PolarHBondContact O-N 3.42Å; T312-L315 PolarHBondContact O-N 3.4Å; L315-E317 PolarHBondContact O-N 3.14Å; L315-M318 PolarHBondContact O-N 3.36Å; L315-I319 HydrophobicContact CB-CD1 4.26Å; L315-I319 HydrophobicContact CD2-CD1 4.41Å; L315-I319 WeakPolarHBondContact O-CB 3.14Å; L315-I319 WeakPolarHBondContact O-CD1 3.37Å; L315-I319 WeakPolarHBondContact O-CG1 3.32Å; L315-I319 PolarHBondContact O-N 2.94Å |
| 316 | E | 59.9 | Low | 59.5 | Low | 63 Ų | 63 | 85.6 Ų | 85.6 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.8 | -41 | 175 | -82.1 | -167.1 | 177.2 | 0 | 0 | 110.6 | K31 T312 L320 | K31-E316 VanDerWaalsContact NZ-CD 3.32Å; K31-E316 IonicContact NZ-OE1 3.22Å; K31-E316 PolarHBondContact NZ-OE1 2.88Å; K31-E316 IonicContact NZ-OE2 2.7Å; K31-E316 PolarHBondContact NZ-OE2 3.45Å; T312-E316 WeakPolarHBondContact O-CB 3.33Å; T312-E316 WeakPolarHBondContact O-CG 3.38Å; T312-E316 PolarHBondContact O-N 3.45Å; E316-L320 HydrophobicContact CB-CD1 4.11Å; E316-L320 HydrophobicContact CG-CD1 4.32Å; E316-L320 WeakPolarHBondContact O-CB 3.41Å; E316-L320 PolarHBondContact O-N 2.86Å |
| 317 | E | 57.1 | Low | 58.1 | Low | 38 Ų | 38 | 83.9 Ų | 83.9 | 18% | 0.178 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 176 | -170.4 | 176.3 | -172.3 | 0 | 0 | 111.7 | A28 F313 E314 L315 I319 E321 | A28-E317 HydrophobicContact CB-CB 4.48Å; A28-E317 WeakPolarHBondContact CB-OE2 3.27Å; A28-E317 PolarHBondContact N-OE2 3.09Å; F313-E317 PolarHBondContact O-N 3Å; E314-E317 WeakPolarHBondContact O-CB 3.23Å; E314-E317 PolarHBondContact O-N 2.97Å; L315-E317 PolarHBondContact O-N 3.14Å; E317-I319 VanDerWaalsContact C-N 3.3Å; E317-I319 PolarHBondContact O-N 3.49Å; E317-E321 PolarHBondContact O-N 2.88Å; E317-E321 VanDerWaalsContact O-N 3.16Å |
| 318 | M | 54.9 | Low | 57.1 | Low | 155 Ų | 155 | 86.8 Ų | 86.8 | 76% | 0.764 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.6 | -31.3 | -179.9 | -70.3 | -178.3 | 67.1 | 0 | 0 | 113.5 | E314 L315 | E314-M318 WeakPolarHBondContact O-CG 3.23Å; E314-M318 PolarHBondContact O-N 3.48Å; L315-M318 PolarHBondContact O-N 3.36Å |
| 319 | I | 56.6 | Low | 55.5 | Low | 131 Ų | 131 | 92.8 Ų | 92.8 | 67% | 0.672 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -91.3 | -40.9 | -175.6 | -63 | 166.3 | 0 | 0 | 0 | 112 | L315 E317 | L315-I319 HydrophobicContact CB-CD1 4.26Å; L315-I319 HydrophobicContact CD2-CD1 4.41Å; L315-I319 WeakPolarHBondContact O-CB 3.14Å; L315-I319 WeakPolarHBondContact O-CD1 3.37Å; L315-I319 WeakPolarHBondContact O-CG1 3.32Å; L315-I319 PolarHBondContact O-N 2.94Å; E317-I319 VanDerWaalsContact C-N 3.3Å; E317-I319 PolarHBondContact O-N 3.49Å |
| 320 | L | 51.3 | Low | 54 | Low | 122 Ų | 122 | 101.4 Ų | 101.4 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -86 | -29.3 | -175.1 | -73.4 | 153.2 | 0 | 0 | 0 | 113.3 | E316 | E316-L320 HydrophobicContact CB-CD1 4.11Å; E316-L320 HydrophobicContact CG-CD1 4.32Å; E316-L320 WeakPolarHBondContact O-CB 3.41Å; E316-L320 PolarHBondContact O-N 2.86Å |
| 321 | E | 50.3 | Low | 52.9 | Low | 58 Ų | 58 | 107.2 Ų | 107.2 | 27% | 0.271 | 53% | 0.525 | S | S | . | . | trans | -105.5 | 83.2 | -174.5 | -68.7 | -176.4 | -156.5 | 0 | 0 | 111.7 | K36 E317 K323 | K36-E321 IonicContact NZ-OE1 3.58Å; K36-E321 PolarHBondContact NZ-OE1 2.71Å; E317-E321 PolarHBondContact O-N 2.88Å; E317-E321 VanDerWaalsContact O-N 3.16Å; E321-K323 PolarHBondContact O-N 3.35Å | ||
| 322 | S | 40.5 | Very low | 52 | Low | 120 Ų | 120 | 106.1 Ų | 106.1 | 84% | 0.839 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -57.3 | -9 | 176.1 | 52.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 323 | K | 46.3 | Very low | 51 | Low | 147 Ų | 147 | 106.5 Ų | 106.5 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -148.1 | 124.7 | 170.1 | -64.5 | -177.2 | -178.5 | 169.3 | 0 | 110.3 | E321 | E321-K323 PolarHBondContact O-N 3.35Š|
| 324 | P | 45.7 | Very low | 49.9 | Very low | 96 Ų | 96 | 112.5 Ų | 112.5 | 62% | 0.623 | 55% | 0.546 | S | S | * | . | trans | -60.5 | 149.4 | 179.6 | 18.7 | -26.7 | 0 | 0 | 0 | 112.2 | H326 | P324-H326 PolarHBondContact O-N 3.11Š| ||
| 325 | L | 51.7 | Low | 49 | Very low | 59 Ų | 59 | 116.4 Ų | 116.4 | 31% | 0.309 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -41.9 | -23.8 | -170.8 | -83.4 | 102.5 | 0 | 0 | 0 | 117 | K327 K328 | L325-K327 PolarHBondContact O-N 3.37Å; L325-K328 PolarHBondContact O-N 3.03Å |
| 326 | H | 48.7 | Very low | 48.5 | Very low | 142 Ų | 142 | 116.9 Ų | 116.9 | 66% | 0.657 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -53.4 | -10.4 | -178.4 | -91.2 | 75.3 | 0 | 0 | 0 | 116.4 | P324 | P324-H326 PolarHBondContact O-N 3.11Š|
| 327 | K | 43.9 | Very low | 47.8 | Very low | 152 Ų | 152 | 125 Ų | 125 | 66% | 0.661 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -114.8 | 3.7 | -174.8 | -69.9 | -176.9 | 180 | 175.8 | 0 | 116 | L325 | L325-K327 PolarHBondContact O-N 3.37Š|
| 328 | K | 49.7 | Very low | 47.1 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 47% | 0.465 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -68.6 | -37.8 | 177.5 | -104.4 | -171.4 | 172.5 | -166.2 | 0 | 113.2 | E94 L325 K330 R331 L332 | E94-K328 IonicContact OE2-NZ 2.68Å; E94-K328 PolarHBondContact OE2-NZ 3.26Å; L325-K328 PolarHBondContact O-N 3.03Å; K328-K330 PolarHBondContact O-N 3.39Å; K328-R331 PolarHBondContact O-N 2.94Å; K328-L332 PolarHBondContact O-N 3.06Å |
| 329 | K | 45.8 | Very low | 46.4 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 60% | 0.6 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -51.6 | -33.3 | -178.1 | -98.6 | -171.9 | 167.1 | -169 | 0 | 115.4 | D21 | D21-K329 WeakPolarHBondContact OD1-CE 3.4Å; D21-K329 IonicContact OD1-NZ 3.55Å; D21-K329 PolarHBondContact OD1-NZ 3.09Å; D21-K329 IonicContact OD2-NZ 2.65Å; D21-K329 PolarHBondContact OD2-NZ 3.01Å |
| 330 | K | 42.9 | Very low | 45.7 | Very low | 195 Ų | 195 | 126.8 Ų | 126.8 | 85% | 0.848 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -87 | -11.6 | -178 | -110.7 | -178.8 | 178.6 | 179.6 | 0 | 114.7 | K328 | K328-K330 PolarHBondContact O-N 3.39Å |
| 331 | R | 46.6 | Very low | 45.7 | Very low | 190 Ų | 190 | 126.8 Ų | 126.8 | 72% | 0.717 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -96.1 | -33.4 | -178.8 | -93.4 | 171.8 | 59.4 | -161.8 | -1.8 | 113.3 | K328 R334 K335 | K328-R331 PolarHBondContact O-N 2.94Å; R331-R334 PolarHBondContact O-N 3.07Å; R331-K335 PolarHBondContact O-N 3.49Å |
| 332 | L | 46.5 | Very low | 45.3 | Very low | 51 Ų | 51 | 131 Ų | 131 | 27% | 0.267 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.8 | -41.7 | -177.4 | -85.9 | 140.7 | 0 | 0 | 0 | 112.8 | E94 K328 R334 K335 T336 | E94-L332 WeakPolarHBondContact OE1-CD1 3.35Å; E94-L332 WeakPolarHBondContact OE1-CD2 3.41Å; K328-L332 PolarHBondContact O-N 3.06Å; L332-R334 PolarHBondContact O-N 3.35Å; L332-K335 PolarHBondContact O-N 2.68Å; L332-T336 PolarHBondContact O-N 3.25Å; L332-T336 VanDerWaalsContact O-N 3.09Å; L332-T336 PolarHBondContact O-OG1 2.97Å |
| 333 | A | 45.8 | Very low | 45.8 | Very low | 76 Ų | 76 | 129.1 Ų | 129.1 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -57.5 | -20.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 334 | R | 44.3 | Very low | 46.4 | Very low | 180 Ų | 180 | 124.3 Ų | 124.3 | 68% | 0.679 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -88.8 | -30.1 | 174.3 | -154.1 | 178.6 | 81.2 | 175.3 | 6 | 112.9 | R331 L332 | R331-R334 PolarHBondContact O-N 3.07Å; L332-R334 PolarHBondContact O-N 3.35Å |
| 335 | K | 42.6 | Very low | 47.2 | Very low | 128 Ų | 128 | 125 Ų | 125 | 56% | 0.557 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -82.1 | -36.3 | -177.6 | -106.8 | -170.7 | 172.5 | -162.9 | 0 | 113.3 | R331 L332 R337 E338 Q339 | R331-K335 PolarHBondContact O-N 3.49Å; L332-K335 PolarHBondContact O-N 2.68Å; K335-R337 PolarHBondContact O-N 3.16Å; K335-E338 PolarHBondContact O-N 3.08Å; K335-E338 VanDerWaalsContact O-N 3.08Å; K335-Q339 PolarHBondContact O-N 2.64Å |
| 336 | T | 46.8 | Very low | 47.7 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 66% | 0.656 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -18.4 | 178.3 | -34.7 | 0 | 0 | 0 | 0 | 112.7 | L332 | L332-T336 PolarHBondContact O-N 3.25Å; L332-T336 VanDerWaalsContact O-N 3.09Å; L332-T336 PolarHBondContact O-OG1 2.97Å |
| 337 | R | 46.6 | Very low | 48.8 | Very low | 234 Ų | 234 | 127 Ų | 127 | 88% | 0.883 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -16.9 | 173.5 | -97.4 | -178.3 | 169.1 | -178.6 | -2.9 | 114.6 | K335 | K335-R337 PolarHBondContact O-N 3.16Š|
| 338 | E | 41.4 | Very low | 50.5 | Low | 137 Ų | 137 | 121.9 Ų | 121.9 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -17 | -170.4 | -76.4 | 179.6 | 172.6 | 0 | 0 | 114.2 | K335 | K335-E338 PolarHBondContact O-N 3.08Å; K335-E338 VanDerWaalsContact O-N 3.08Å |
| 339 | Q | 41.4 | Very low | 52.1 | Low | 155 Ų | 155 | 123.1 Ų | 123.1 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | trans | -105.7 | 89.4 | 175.2 | -72.8 | -173.7 | -20.7 | 0 | 0 | 110.5 | K335 | K335-Q339 PolarHBondContact O-N 2.64Š| ||
| 340 | G | 41.6 | Very low | 53.9 | Low | 69 Ų | 69 | 119 Ų | 119 | 71% | 0.711 | 64% | 0.636 | S | S | * | * | trans | -57.2 | 152.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D342 | G340-D342 PolarHBondContact O-N 3.1Š| ||
| 341 | S | 49.7 | Very low | 56 | Low | 122 Ų | 122 | 114.5 Ų | 114.5 | 85% | 0.853 | 62% | 0.618 | S | S | * | * | trans | -44.9 | 111.8 | -178.4 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 342 | D | 42 | Very low | 58 | Low | 146 Ų | 146 | 111.3 Ų | 111.3 | 78% | 0.781 | 61% | 0.612 | S | S | * | * | trans | -95.1 | 96.8 | 161.9 | -128.9 | -7.3 | 0 | 0 | 0 | 107.9 | G340 S344 N347 | G340-D342 PolarHBondContact O-N 3.1Å; D342-S344 PolarHBondContact O-N 3.23Å; D342-N347 PolarHBondContact O-ND2 3.39Å | ||
| 343 | G | 51.2 | Low | 60 | Low | 80 Ų | 80 | 113.8 Ų | 113.8 | 83% | 0.825 | 62% | 0.617 | S | S | * | * | trans | -77.7 | 72.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 344 | S | 59.4 | Low | 62.1 | Low | 47 Ų | 47 | 111.8 Ų | 111.8 | 33% | 0.329 | 60% | 0.596 | S | S | . | * | trans | -92.8 | 143 | 164.2 | 80.9 | 0 | 0 | 0 | 0 | 110.7 | D342 Q346 N347 G348 | D342-S344 PolarHBondContact O-N 3.23Å; S344-Q346 PolarHBondContact O-N 3.19Å; S344-N347 PolarHBondContact O-N 3.22Å; S344-N347 VanDerWaalsContact O-N 3.12Å; S344-N347 WeakPolarHBondContact OG-CB 3.34Å; S344-N347 PolarHBondContact OG-N 2.79Å; S344-N347 PolarHBondContact OG-ND2 3.33Å; S344-G348 PolarHBondContact O-N 3.41Å | ||
| 345 | P | 62.2 | Low | 64.2 | Low | 111 Ų | 111 | 106.8 Ų | 106.8 | 72% | 0.721 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.7 | -31 | 178 | -22.8 | 31.4 | 0 | 0 | 0 | 113.3 | G348 Q349 | P345-G348 PolarHBondContact O-N 3.46Å; P345-Q349 PolarHBondContact O-N 3.06Å |
| 346 | Q | 63.8 | Low | 66.5 | Low | 155 Ų | 155 | 103.2 Ų | 103.2 | 72% | 0.724 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69 | -38.3 | 177.5 | -70.5 | 179.7 | -2.4 | 0 | 0 | 112 | S344 G348 Q349 L350 | S344-Q346 PolarHBondContact O-N 3.19Å; Q346-G348 VanDerWaalsContact C-N 3.32Å; Q346-G348 PolarHBondContact O-N 3.47Å; Q346-Q349 PolarHBondContact O-N 2.7Å; Q346-L350 WeakPolarHBondContact O-CB 3.43Å; Q346-L350 PolarHBondContact O-N 3.4Å |
| 347 | N | 71.4 | Confident | 68.5 | Low | 87 Ų | 87 | 98.3 Ų | 98.3 | 47% | 0.465 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 174 | -75.8 | -9.5 | 0 | 0 | 0 | 111.6 | D342 S344 L350 Q351 | D342-N347 PolarHBondContact O-ND2 3.39Å; S344-N347 PolarHBondContact O-N 3.22Å; S344-N347 VanDerWaalsContact O-N 3.12Å; S344-N347 WeakPolarHBondContact OG-CB 3.34Å; S344-N347 PolarHBondContact OG-N 2.79Å; S344-N347 PolarHBondContact OG-ND2 3.33Å; N347-L350 PolarHBondContact O-N 3.29Å; N347-Q351 WeakPolarHBondContact O-CB 3.18Å; N347-Q351 PolarHBondContact O-N 3.11Å |
| 348 | G | 78.2 | Confident | 70.6 | Confident | 45 Ų | 45 | 91.8 Ų | 91.8 | 46% | 0.464 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S344 P345 Q346 Q351 Q352 | S344-G348 PolarHBondContact O-N 3.41Å; P345-G348 PolarHBondContact O-N 3.46Å; Q346-G348 VanDerWaalsContact C-N 3.32Å; Q346-G348 PolarHBondContact O-N 3.47Å; G348-Q351 PolarHBondContact O-N 3.22Å; G348-Q352 WeakPolarHBondContact O-CB 3.27Å; G348-Q352 PolarHBondContact O-N 3.49Å |
| 349 | Q | 83.2 | Confident | 72.9 | Confident | 132 Ų | 132 | 93.2 Ų | 93.2 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.7 | -39.8 | 176.5 | -70.9 | -178.8 | 1.5 | 0 | 0 | 112.4 | P345 Q346 Q352 R353 | P345-Q349 PolarHBondContact O-N 3.06Å; Q346-Q349 PolarHBondContact O-N 2.7Å; Q349-Q352 PolarHBondContact O-N 2.88Å; Q349-R353 WeakPolarHBondContact O-CG 3.46Å; Q349-R353 PolarHBondContact O-N 3.3Å; Q349-R353 VanDerWaalsContact O-N 3.09Å |
| 350 | L | 85.1 | Confident | 75.2 | Confident | 51 Ų | 51 | 90.1 Ų | 90.1 | 27% | 0.267 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 177.6 | -177.5 | 63.6 | 0 | 0 | 0 | 111.4 | L57 V60 Q346 N347 Q352 R353 L354 | L57-L350 HydrophobicContact CD1-CD1 3.81Å; L57-L350 HydrophobicContact CD1-CD2 3.72Å; L57-L350 HydrophobicContact CD1-CG 4.14Å; V60-L350 HydrophobicContact CG1-CD1 3.75Å; Q346-L350 WeakPolarHBondContact O-CB 3.43Å; Q346-L350 PolarHBondContact O-N 3.4Å; N347-L350 PolarHBondContact O-N 3.29Å; L350-Q352 VanDerWaalsContact C-N 3.35Å; L350-Q352 PolarHBondContact O-N 3.03Å; L350-R353 PolarHBondContact O-N 3.2Å; L350-L354 HydrophobicContact CG-CD1 4.48Å; L350-L354 PolarHBondContact O-N 3.09Å |
| 351 | Q | 85.4 | Confident | 77.6 | Confident | 102 Ų | 102 | 87.5 Ų | 87.5 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 177 | -171.6 | 60.1 | 45.7 | 0 | 0 | 111.2 | N347 G348 R353 L354 D355 | N347-Q351 WeakPolarHBondContact O-CB 3.18Å; N347-Q351 PolarHBondContact O-N 3.11Å; G348-Q351 PolarHBondContact O-N 3.22Å; Q351-R353 VanDerWaalsContact C-N 3.28Å; Q351-R353 PolarHBondContact O-N 2.59Å; Q351-L354 WeakPolarHBondContact O-CB 3.4Å; Q351-L354 PolarHBondContact O-N 3.2Å; Q351-L354 VanDerWaalsContact O-N 3.09Å; Q351-D355 PolarHBondContact NE2-OD1 3.16Å; Q351-D355 PolarHBondContact O-N 3.3Å |
| 352 | Q | 89.1 | Confident | 79.4 | Confident | 123 Ų | 123 | 84.8 Ų | 84.8 | 58% | 0.575 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.3 | -38.5 | 176.2 | -170.6 | -177.9 | 14.9 | 0 | 0 | 112.4 | G348 Q349 L350 D355 N356 | G348-Q352 WeakPolarHBondContact O-CB 3.27Å; G348-Q352 PolarHBondContact O-N 3.49Å; Q349-Q352 PolarHBondContact O-N 2.88Å; L350-Q352 VanDerWaalsContact C-N 3.35Å; L350-Q352 PolarHBondContact O-N 3.03Å; Q352-D355 PolarHBondContact O-N 3.41Å; Q352-N356 PolarHBondContact O-N 2.73Å; Q352-N356 PolarHBondContact O-ND2 3.44Å; Q352-N356 PolarHBondContact O-OD1 2.97Å |
| 353 | R | 89.3 | Confident | 81.9 | Confident | 102 Ų | 102 | 81.1 Ų | 81.1 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 175.5 | -70.9 | 178.1 | 78.7 | -161.1 | -1.9 | 111.7 | V60 N63 Q349 L350 Q351 N356 V357 | V60-R353 HydrophobicContact CG1-CB 3.69Å; V60-R353 HydrophobicContact CG1-CG 4.44Å; V60-R353 HydrophobicContact CG2-CB 4.46Å; V60-R353 PolarHBondContact O-NH1 3.17Å; V60-R353 PolarHBondContact O-NH2 2.86Å; N63-R353 PolarHBondContact OD1-NH2 2.96Å; Q349-R353 WeakPolarHBondContact O-CG 3.46Å; Q349-R353 PolarHBondContact O-N 3.3Å; Q349-R353 VanDerWaalsContact O-N 3.09Å; L350-R353 PolarHBondContact O-N 3.2Å; Q351-R353 VanDerWaalsContact C-N 3.28Å; Q351-R353 PolarHBondContact O-N 2.59Å; R353-N356 PolarHBondContact O-N 3.14Å; R353-V357 VanDerWaalsContact O-CG2 3.3Å; R353-V357 WeakPolarHBondContact O-CG2 2.89Å; R353-V357 PolarHBondContact O-N 2.98Å |
| 354 | L | 88.9 | Confident | 84 | Confident | 34 Ų | 34 | 78.4 Ų | 78.4 | 18% | 0.178 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.5 | -41 | 174.6 | -70.8 | 169.5 | 0 | 0 | 0 | 111.9 | K56 V60 L350 Q351 N356 V357 Q358 | K56-L354 HydrophobicContact CB-CD2 3.74Å; V60-L354 HydrophobicContact CG2-CD2 4Å; L350-L354 HydrophobicContact CG-CD1 4.48Å; L350-L354 PolarHBondContact O-N 3.09Å; Q351-L354 WeakPolarHBondContact O-CB 3.4Å; Q351-L354 PolarHBondContact O-N 3.2Å; Q351-L354 VanDerWaalsContact O-N 3.09Å; L354-N356 VanDerWaalsContact C-N 3.3Å; L354-N356 PolarHBondContact O-N 2.77Å; L354-V357 WeakPolarHBondContact O-CB 3.32Å; L354-V357 PolarHBondContact O-N 2.5Å; L354-V357 VanDerWaalsContact O-N 3.12Å; L354-Q358 PolarHBondContact O-N 2.72Å |
| 355 | D | 89.1 | Confident | 85.7 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 175.9 | -62.2 | -17.3 | 0 | 0 | 0 | 111.4 | Q351 Q352 Q358 R359 | Q351-D355 PolarHBondContact NE2-OD1 3.16Å; Q351-D355 PolarHBondContact O-N 3.3Å; Q352-D355 PolarHBondContact O-N 3.41Å; D355-Q358 WeakPolarHBondContact O-CB 3.46Å; D355-Q358 PolarHBondContact O-N 2.9Å; D355-R359 PolarHBondContact O-N 3.48Å |
| 356 | N | 90.3 | Very high | 87.2 | Confident | 52 Ų | 52 | 72.3 Ų | 72.3 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 172 | -68.1 | -18.6 | 0 | 0 | 0 | 111.6 | Q352 R353 L354 Q358 R359 D360 | Q352-N356 PolarHBondContact O-N 2.73Å; Q352-N356 PolarHBondContact O-ND2 3.44Å; Q352-N356 PolarHBondContact O-OD1 2.97Å; R353-N356 PolarHBondContact O-N 3.14Å; L354-N356 VanDerWaalsContact C-N 3.3Å; L354-N356 PolarHBondContact O-N 2.77Å; N356-Q358 VanDerWaalsContact C-N 3.3Å; N356-Q358 PolarHBondContact O-N 3.47Å; N356-R359 PolarHBondContact O-N 2.82Å; N356-R359 PolarHBondContact OD1-NH1 3.15Å; N356-D360 VanDerWaalsContact O-CB 3.3Å; N356-D360 WeakPolarHBondContact O-CB 3.06Å; N356-D360 PolarHBondContact O-N 3.13Å |
| 357 | V | 90.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.6 | -47 | 171.9 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | K56 V60 V65 M96 R353 L354 R359 D360 F361 | K56-V357 HydrophobicContact CD-CG1 4.4Å; K56-V357 HydrophobicContact CG-CG1 4.31Å; V60-V357 HydrophobicContact CG2-CG2 3.8Å; V65-V357 HydrophobicContact CB-CG2 4.45Å; V65-V357 HydrophobicContact CG1-CG1 4.39Å; V65-V357 HydrophobicContact CG1-CG2 3.77Å; V65-V357 HydrophobicContact CG2-CG2 3.79Å; M96-V357 HydrophobicContact CE-CG1 4.47Å; M96-V357 HydrophobicContact CG-CG1 4.31Å; M96-V357 HydrophobicContact SD-CG1 3.57Å; M96-V357 VanDerWaalsContact SD-CG1 3.57Å; R353-V357 VanDerWaalsContact O-CG2 3.3Å; R353-V357 WeakPolarHBondContact O-CG2 2.89Å; R353-V357 PolarHBondContact O-N 2.98Å; L354-V357 WeakPolarHBondContact O-CB 3.32Å; L354-V357 PolarHBondContact O-N 2.5Å; L354-V357 VanDerWaalsContact O-N 3.12Å; V357-R359 VanDerWaalsContact C-N 3.29Å; V357-R359 PolarHBondContact O-N 3.14Å; V357-D360 PolarHBondContact O-N 3.32Å; V357-F361 VanDerWaalsContact O-CB 3.28Å; V357-F361 WeakPolarHBondContact O-CB 3.28Å; V357-F361 PolarHBondContact O-N 3.42Å; V357-F361 VanDerWaalsContact O-N 3.08Å |
| 358 | Q | 89.3 | Confident | 89.3 | Confident | 97 Ų | 97 | 67.3 Ų | 67.3 | 45% | 0.453 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 179.4 | -174.9 | 66.2 | 23.3 | 0 | 0 | 112 | Q91 L354 D355 N356 | Q91-Q358 PolarHBondContact NE2-O 3.09Å; Q91-Q358 VanDerWaalsContact OE1-OE1 3.11Å; L354-Q358 PolarHBondContact O-N 2.72Å; D355-Q358 WeakPolarHBondContact O-CB 3.46Å; D355-Q358 PolarHBondContact O-N 2.9Å; N356-Q358 VanDerWaalsContact C-N 3.3Å; N356-Q358 PolarHBondContact O-N 3.47Å |
| 359 | R | 89.8 | Confident | 89.5 | Confident | 167 Ų | 167 | 67.8 Ų | 67.8 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -72.1 | -42.4 | -178.4 | -167.5 | -170.4 | -55.1 | 120 | 7.5 | 113.2 | D355 N356 V357 | D355-R359 PolarHBondContact O-N 3.48Å; N356-R359 PolarHBondContact O-N 2.82Å; N356-R359 PolarHBondContact OD1-NH1 3.15Å; V357-R359 VanDerWaalsContact C-N 3.29Å; V357-R359 PolarHBondContact O-N 3.14Å |
| 360 | D | 91 | Very high | 89.5 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -89 | -9.7 | -169.6 | -60.2 | -14.2 | 0 | 0 | 0 | 112.7 | L69 N356 V357 | L69-D360 HydrophobicContact CD1-CB 4.18Å; N356-D360 VanDerWaalsContact O-CB 3.3Å; N356-D360 WeakPolarHBondContact O-CB 3.06Å; N356-D360 PolarHBondContact O-N 3.13Å; V357-D360 PolarHBondContact O-N 3.32Å |
| 361 | F | 91.9 | Very high | 89.1 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | trans | -68.3 | 132.1 | 179.3 | -170 | -91.3 | 0 | 0 | 0 | 111.9 | L69 L72 F90 Q91 M96 V357 V363 | L69-F361 HydrophobicContact CD2-CD2 4.09Å; L72-F361 HydrophobicContact CD1-CD2 4.11Å; L72-F361 HydrophobicContact CD1-CE2 3.49Å; L72-F361 VanDerWaalsContact CD1-CE2 3.49Å; L72-F361 HydrophobicContact CD1-CZ 3.9Å; F90-F361 VanDerWaalsContact C-CE1 3.45Å; F90-F361 WeakPolarHBondContact O-CE1 3.18Å; F90-F361 VanDerWaalsContact O-CZ 3.32Å; F90-F361 WeakPolarHBondContact O-CZ 3.21Å; Q91-F361 HydrophobicContact CB-CD1 4.12Å; Q91-F361 HydrophobicContact CB-CE1 4.15Å; Q91-F361 HydrophobicContact CB-CG 4.34Å; Q91-F361 HydrophobicContact CB-CZ 4.4Å; Q91-F361 VanDerWaalsContact CD-CB 3.5Å; Q91-F361 HydrophobicContact CG-CB 4.49Å; Q91-F361 HydrophobicContact CG-CD1 3.85Å; Q91-F361 HydrophobicContact CG-CE1 4.3Å; Q91-F361 HydrophobicContact CG-CG 4.16Å; Q91-F361 VanDerWaalsContact NE2-CB 3.27Å; M96-F361 HydrophobicContact CB-CD2 4.33Å; M96-F361 HydrophobicContact CB-CE2 3.62Å; M96-F361 HydrophobicContact CB-CZ 4.24Å; M96-F361 HydrophobicContact CG-CD2 3.73Å; M96-F361 HydrophobicContact CG-CE2 3.54Å; M96-F361 HydrophobicContact CG-CZ 4.45Å; M96-F361 HydrophobicContact SD-CD2 3.67Å; M96-F361 HydrophobicContact SD-CE2 3.77Å; V357-F361 VanDerWaalsContact O-CB 3.28Å; V357-F361 WeakPolarHBondContact O-CB 3.28Å; V357-F361 PolarHBondContact O-N 3.42Å; V357-F361 VanDerWaalsContact O-N 3.08Å; F361-V363 HydrophobicContact CD1-CG2 4.44Å | ||
| 362 | I | 87.4 | Confident | 88.6 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 33% | 0.333 | 34% | 0.338 | S | S | . | . | trans | -92.9 | 110.7 | -179.1 | -56.1 | 171.4 | 0 | 0 | 0 | 108.6 | S89 | S89-I362 PolarHBondContact OG-O 3.32Š| ||
| 363 | V | 93.8 | Very high | 87.7 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 42% | 0.418 | 34% | 0.337 | S | S | . | . | trans | -72.8 | 127.5 | 167.5 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | S89 F361 | S89-V363 WeakPolarHBondContact O-CA 3.41Å; S89-V363 WeakPolarHBondContact O-CG1 3.46Å; F361-V363 HydrophobicContact CD1-CG2 4.44Å | ||
| 364 | F | 95.1 | Very high | 86.7 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 10% | 0.101 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 142.4 | -178.6 | 178.7 | -102.9 | 0 | 0 | 0 | 110.4 | Q76 F86 Y88 S89 R366 | Q76-F364 HydrophobicContact CB-CD1 4.49Å; Q76-F364 HydrophobicContact CB-CD2 3.77Å; Q76-F364 HydrophobicContact CB-CE1 4.43Å; Q76-F364 HydrophobicContact CB-CE2 3.75Å; Q76-F364 HydrophobicContact CB-CG 4.15Å; Q76-F364 HydrophobicContact CB-CZ 4.08Å; F86-F364 AromaticContact CD1-CD1 3.47Å; F86-F364 HydrophobicContact CD1-CD1 3.47Å; F86-F364 VanDerWaalsContact CD1-CD1 3.47Å; F86-F364 AromaticContact CD1-CE1 3.64Å; F86-F364 HydrophobicContact CD1-CE1 3.64Å; F86-F364 HydrophobicContact CD1-CG 4.31Å; F86-F364 HydrophobicContact CE1-CB 3.82Å; F86-F364 AromaticContact CE1-CD1 3.16Å; F86-F364 HydrophobicContact CE1-CD1 3.16Å; F86-F364 AromaticContact CE1-CE1 3.85Å; F86-F364 HydrophobicContact CE1-CE1 3.85Å; F86-F364 AromaticContact CE1-CG 3.68Å; F86-F364 HydrophobicContact CE1-CG 3.68Å; F86-F364 HydrophobicContact CZ-CB 4.29Å; F86-F364 HydrophobicContact CZ-CD1 4.04Å; Y88-F364 CarbonylContact C-O 3.58Å; Y88-F364 VanDerWaalsContact CA-O 3.24Å; Y88-F364 WeakPolarHBondContact CA-O 3.16Å; S89-F364 PolarHBondContact N-O 3.43Å; S89-F364 PolarHBondContact O-N 3.12Å; S89-F364 VanDerWaalsContact OG-CB 3.23Å; S89-F364 WeakPolarHBondContact OG-CB 3.47Å; S89-F364 PolarHBondContact OG-N 2.88Å; F364-R366 HydrophobicContact CE1-CB 3.78Å; F364-R366 HydrophobicContact CZ-CB 4Å |
| 365 | N | 95.1 | Very high | 85.6 | Confident | 19 Ų | 19 | 70.5 Ų | 70.5 | 10% | 0.102 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 104.5 | 174.2 | -179.4 | -19.7 | 0 | 0 | 0 | 109.8 | V18 Y88 E367 K368 S369 | V18-N365 VanDerWaalsContact CG2-ND2 3.33Å; V18-N365 WeakPolarHBondContact CG2-ND2 3.32Å; Y88-N365 HydrophobicContact CD1-CB 4.25Å; Y88-N365 WeakPolarHBondContact CE1-OD1 3.28Å; N365-E367 VanDerWaalsContact C-N 3.27Å; N365-E367 PolarHBondContact O-N 3.22Å; N365-E367 WeakPolarHBondContact OD1-CB 3.43Å; N365-E367 PolarHBondContact OD1-N 3.45Å; N365-K368 HydrophobicContact CB-CB 4.22Å; N365-K368 HydrophobicContact CB-CD 4.28Å; N365-K368 HydrophobicContact CB-CG 4.25Å; N365-K368 PolarHBondContact O-N 3.44Å; N365-K368 PolarHBondContact OD1-N 3.17Å; N365-S369 PolarHBondContact O-N 3.09Å; N365-S369 VanDerWaalsContact O-N 3.11Å; N365-S369 PolarHBondContact O-OG 3.48Å |
| 366 | R | 94.2 | Very high | 84.1 | Confident | 11 Ų | 11 | 69.9 Ų | 69.9 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -33.3 | -179.6 | -170.9 | 173.6 | -62.3 | -90.3 | -2.2 | 113 | L78 E79 F86 W87 F364 K368 S369 R370 | L78-R366 PolarHBondContact O-NH1 3.22Å; L78-R366 PolarHBondContact O-NH2 3.14Å; E79-R366 IonicContact OE2-CZ 3.05Å; E79-R366 IonicContact OE2-NH1 3.11Å; E79-R366 PolarHBondContact OE2-NH1 2.93Å; F86-R366 PolarHBondContact O-NE 3.19Å; F86-R366 PolarHBondContact O-NH2 3.2Å; W87-R366 HydrophobicContact CE3-CB 4.16Å; W87-R366 PolarHBondContact O-N 2.9Å; F364-R366 HydrophobicContact CE1-CB 3.78Å; F364-R366 HydrophobicContact CZ-CB 4Å; R366-K368 VanDerWaalsContact C-N 3.33Å; R366-K368 PolarHBondContact O-N 3.48Å; R366-S369 PolarHBondContact O-N 2.83Å; R366-R370 HydrophobicContact CG-CG 4.5Å; R366-R370 WeakPolarHBondContact O-CG 3.36Å; R366-R370 PolarHBondContact O-N 3.46Å |
| 367 | E | 90.8 | Very high | 82.6 | Confident | 55 Ų | 55 | 70 Ų | 70 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 178.6 | -61.9 | 179.7 | 141.4 | 0 | 0 | 111 | K42 W87 Y88 N365 R370 K371 | K42-E367 IonicContact NZ-OE2 2.68Å; K42-E367 PolarHBondContact NZ-OE2 2.77Å; W87-E367 HydrophobicContact CE3-CG 4.39Å; W87-E367 HydrophobicContact CZ3-CG 4.35Å; Y88-E367 HydrophobicContact CE1-CG 4.18Å; Y88-E367 PolarHBondContact OH-OE1 3Å; Y88-E367 PolarHBondContact OH-OE2 2.88Å; N365-E367 VanDerWaalsContact C-N 3.27Å; N365-E367 PolarHBondContact O-N 3.22Å; N365-E367 WeakPolarHBondContact OD1-CB 3.43Å; N365-E367 PolarHBondContact OD1-N 3.45Å; E367-R370 PolarHBondContact O-N 3.22Å; E367-K371 PolarHBondContact O-N 3.17Å; E367-K371 VanDerWaalsContact O-N 3.14Å |
| 368 | K | 87.6 | Confident | 81.2 | Confident | 82 Ų | 82 | 75.7 Ų | 75.7 | 36% | 0.357 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 173.5 | -75 | -173.7 | 179.3 | -173 | 0 | 111.2 | D16 N365 R366 R370 K371 V372 | D16-K368 VanDerWaalsContact C-NZ 3.28Å; D16-K368 WeakPolarHBondContact O-CE 3.46Å; D16-K368 PolarHBondContact O-NZ 3.27Å; N365-K368 HydrophobicContact CB-CB 4.22Å; N365-K368 HydrophobicContact CB-CD 4.28Å; N365-K368 HydrophobicContact CB-CG 4.25Å; N365-K368 PolarHBondContact O-N 3.44Å; N365-K368 PolarHBondContact OD1-N 3.17Å; R366-K368 VanDerWaalsContact C-N 3.33Å; R366-K368 PolarHBondContact O-N 3.48Å; K368-R370 VanDerWaalsContact C-N 3.26Å; K368-R370 PolarHBondContact O-N 3.24Å; K368-K371 PolarHBondContact O-N 3.03Å; K368-K371 VanDerWaalsContact O-N 3.15Å; K368-V372 WeakPolarHBondContact O-CG2 3.07Å; K368-V372 PolarHBondContact O-N 2.86Å; K368-V372 VanDerWaalsContact O-N 3.07Å |
| 369 | S | 82.4 | Confident | 79.6 | Confident | 54 Ų | 54 | 75.9 Ų | 75.9 | 38% | 0.378 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.6 | -39.5 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | N365 R366 V373 | N365-S369 PolarHBondContact O-N 3.09Å; N365-S369 VanDerWaalsContact O-N 3.11Å; N365-S369 PolarHBondContact O-OG 3.48Å; R366-S369 PolarHBondContact O-N 2.83Å; S369-V373 WeakPolarHBondContact O-CG2 3.45Å; S369-V373 PolarHBondContact O-N 3.31Å |
| 370 | R | 84.1 | Confident | 77.9 | Confident | 109 Ų | 109 | 70.4 Ų | 70.4 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 175.7 | -74.9 | -179 | 177.3 | -176.6 | 0.3 | 112.8 | E79 R366 E367 K368 V372 V373 V374 | E79-R370 IonicContact OE1-CZ 3.06Å; E79-R370 IonicContact OE1-NE 3.25Å; E79-R370 IonicContact OE1-NH2 2.56Å; E79-R370 PolarHBondContact OE1-NH2 3.11Å; R366-R370 HydrophobicContact CG-CG 4.5Å; R366-R370 WeakPolarHBondContact O-CG 3.36Å; R366-R370 PolarHBondContact O-N 3.46Å; E367-R370 PolarHBondContact O-N 3.22Å; K368-R370 VanDerWaalsContact C-N 3.26Å; K368-R370 PolarHBondContact O-N 3.24Å; R370-V372 PolarHBondContact O-N 3.36Å; R370-V373 PolarHBondContact O-N 3.42Å; R370-V374 WeakPolarHBondContact O-CG2 3.3Å; R370-V374 PolarHBondContact O-N 3.46Å |
| 371 | K | 76.6 | Confident | 76.1 | Confident | 145 Ų | 145 | 69.7 Ų | 69.7 | 63% | 0.63 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60 | -44.6 | 177 | -73.2 | -177.7 | 179.5 | -174.4 | 0 | 111.9 | E367 K368 V373 V374 D375 | E367-K371 PolarHBondContact O-N 3.17Å; E367-K371 VanDerWaalsContact O-N 3.14Å; K368-K371 PolarHBondContact O-N 3.03Å; K368-K371 VanDerWaalsContact O-N 3.15Å; K371-V373 VanDerWaalsContact C-N 3.29Å; K371-V373 PolarHBondContact O-N 3.22Å; K371-V374 PolarHBondContact O-N 3.2Å; K371-V374 VanDerWaalsContact O-N 3.14Å; K371-D375 WeakPolarHBondContact O-CB 3.36Å; K371-D375 VanDerWaalsContact O-CG 3.27Å; K371-D375 PolarHBondContact O-N 2.6Å |
| 372 | V | 74 | Confident | 74.2 | Confident | 97 Ų | 97 | 71.5 Ų | 71.5 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.9 | -38.4 | 177.6 | 176 | 0 | 0 | 0 | 0 | 111.9 | K368 R370 S376 | K368-V372 WeakPolarHBondContact O-CG2 3.07Å; K368-V372 PolarHBondContact O-N 2.86Å; K368-V372 VanDerWaalsContact O-N 3.07Å; R370-V372 PolarHBondContact O-N 3.36Å; V372-S376 VanDerWaalsContact O-CB 3.29Å; V372-S376 WeakPolarHBondContact O-CB 3.43Å; V372-S376 PolarHBondContact O-N 3.17Å; V372-S376 PolarHBondContact O-OG 3.24Å |
| 373 | V | 70.7 | Confident | 72.6 | Confident | 93 Ų | 93 | 74.3 Ų | 74.3 | 56% | 0.564 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.6 | -42.1 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | S369 R370 K371 S376 S377 | S369-V373 WeakPolarHBondContact O-CG2 3.45Å; S369-V373 PolarHBondContact O-N 3.31Å; R370-V373 PolarHBondContact O-N 3.42Å; K371-V373 VanDerWaalsContact C-N 3.29Å; K371-V373 PolarHBondContact O-N 3.22Å; V373-S376 WeakPolarHBondContact CA-OG 3.42Å; V373-S376 PolarHBondContact O-OG 3.35Å; V373-S377 WeakPolarHBondContact O-CB 3.37Å; V373-S377 PolarHBondContact O-N 2.79Å; V373-S377 PolarHBondContact O-OG 3.23Å |
| 374 | V | 68.9 | Low | 70.5 | Confident | 69 Ų | 69 | 78 Ų | 78 | 42% | 0.418 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.3 | -50.7 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | R370 K371 S376 S377 E378 | R370-V374 WeakPolarHBondContact O-CG2 3.3Å; R370-V374 PolarHBondContact O-N 3.46Å; K371-V374 PolarHBondContact O-N 3.2Å; K371-V374 VanDerWaalsContact O-N 3.14Å; V374-S376 VanDerWaalsContact C-N 3.35Å; V374-S376 PolarHBondContact O-N 3.06Å; V374-S377 PolarHBondContact O-N 3.12Å; V374-S377 VanDerWaalsContact O-N 3.11Å; V374-S377 PolarHBondContact O-OG 3.33Å; V374-E378 HydrophobicContact CG1-CG 4.4Å; V374-E378 WeakPolarHBondContact O-CG 3.29Å; V374-E378 PolarHBondContact O-N 3.25Å |
| 375 | D | 64.7 | Low | 68.3 | Low | 88 Ų | 88 | 81.5 Ų | 81.5 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 179.7 | -66.3 | -18.2 | 0 | 0 | 0 | 111.3 | K371 S377 E378 L379 | K371-D375 WeakPolarHBondContact O-CB 3.36Å; K371-D375 VanDerWaalsContact O-CG 3.27Å; K371-D375 PolarHBondContact O-N 2.6Å; D375-S377 PolarHBondContact O-N 2.79Å; D375-E378 PolarHBondContact O-N 2.99Å; D375-L379 WeakPolarHBondContact O-CB 3.47Å; D375-L379 VanDerWaalsContact O-CD1 3.32Å; D375-L379 WeakPolarHBondContact O-CD1 3.34Å; D375-L379 PolarHBondContact O-N 2.88Å |
| 376 | S | 58.5 | Low | 66.2 | Low | 64 Ų | 64 | 87.1 Ų | 87.1 | 45% | 0.448 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.7 | -37 | 176.4 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | V372 V373 V374 S380 | V372-S376 VanDerWaalsContact O-CB 3.29Å; V372-S376 WeakPolarHBondContact O-CB 3.43Å; V372-S376 PolarHBondContact O-N 3.17Å; V372-S376 PolarHBondContact O-OG 3.24Å; V373-S376 WeakPolarHBondContact CA-OG 3.42Å; V373-S376 PolarHBondContact O-OG 3.35Å; V374-S376 VanDerWaalsContact C-N 3.35Å; V374-S376 PolarHBondContact O-N 3.06Å; S376-S380 WeakPolarHBondContact O-CB 3.38Å; S376-S380 PolarHBondContact O-N 3.47Å |
| 377 | S | 57.9 | Low | 64 | Low | 54 Ų | 54 | 90 Ų | 90 | 38% | 0.378 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 173.8 | 73.1 | 0 | 0 | 0 | 0 | 111.9 | V373 V374 D375 S380 T381 | V373-S377 WeakPolarHBondContact O-CB 3.37Å; V373-S377 PolarHBondContact O-N 2.79Å; V373-S377 PolarHBondContact O-OG 3.23Å; V374-S377 PolarHBondContact O-N 3.12Å; V374-S377 VanDerWaalsContact O-N 3.11Å; V374-S377 PolarHBondContact O-OG 3.33Å; D375-S377 PolarHBondContact O-N 2.79Å; S377-S380 PolarHBondContact O-N 3.17Å; S377-S380 PolarHBondContact O-OG 3.34Å; S377-T381 PolarHBondContact O-N 2.94Å; S377-T381 PolarHBondContact O-OG1 2.94Å |
| 378 | E | 60.7 | Low | 62.1 | Low | 123 Ų | 123 | 92.9 Ų | 92.9 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.8 | -41.7 | 176.5 | -72 | -176 | -178 | 0 | 0 | 112 | V374 D375 S380 T381 S382 | V374-E378 HydrophobicContact CG1-CG 4.4Å; V374-E378 WeakPolarHBondContact O-CG 3.29Å; V374-E378 PolarHBondContact O-N 3.25Å; D375-E378 PolarHBondContact O-N 2.99Å; E378-S380 PolarHBondContact O-N 3.42Å; E378-T381 PolarHBondContact O-N 3.33Å; E378-S382 PolarHBondContact O-N 3.3Å |
| 379 | L | 56.5 | Low | 60.1 | Low | 101 Ų | 101 | 96.3 Ų | 96.3 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 173.3 | -97.2 | 125.5 | 0 | 0 | 0 | 111.7 | D375 T381 S382 E383 | D375-L379 WeakPolarHBondContact O-CB 3.47Å; D375-L379 VanDerWaalsContact O-CD1 3.32Å; D375-L379 WeakPolarHBondContact O-CD1 3.34Å; D375-L379 PolarHBondContact O-N 2.88Å; L379-T381 PolarHBondContact O-N 3.3Å; L379-S382 PolarHBondContact O-N 3.3Å; L379-S382 VanDerWaalsContact O-N 3.15Å; L379-S382 PolarHBondContact O-OG 3.24Å; L379-E383 WeakPolarHBondContact O-CG 3.3Å; L379-E383 PolarHBondContact O-N 3.24Å |
| 380 | S | 53.8 | Low | 58.5 | Low | 53 Ų | 53 | 100.8 Ų | 100.8 | 37% | 0.371 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -29.3 | 177.5 | 77.9 | 0 | 0 | 0 | 0 | 113.1 | S376 S377 E378 K384 | S376-S380 WeakPolarHBondContact O-CB 3.38Å; S376-S380 PolarHBondContact O-N 3.47Å; S377-S380 PolarHBondContact O-N 3.17Å; S377-S380 PolarHBondContact O-OG 3.34Å; E378-S380 PolarHBondContact O-N 3.42Å; S380-K384 WeakPolarHBondContact O-CG 3.35Å; S380-K384 PolarHBondContact O-N 3.35Å |
| 381 | T | 53.1 | Low | 56.6 | Low | 75 Ų | 75 | 98.6 Ų | 98.6 | 46% | 0.46 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -77.4 | -36.8 | 176.2 | -42.5 | 0 | 0 | 0 | 0 | 110.4 | S377 E378 L379 K384 N385 | S377-T381 PolarHBondContact O-N 2.94Å; S377-T381 PolarHBondContact O-OG1 2.94Å; E378-T381 PolarHBondContact O-N 3.33Å; L379-T381 PolarHBondContact O-N 3.3Å; T381-K384 PolarHBondContact O-N 3.14Å; T381-N385 VanDerWaalsContact O-CG 3.3Å; T381-N385 PolarHBondContact O-N 3.49Å; T381-N385 PolarHBondContact O-ND2 3.16Å |
| 382 | S | 52.7 | Low | 55 | Low | 52 Ų | 52 | 99.4 Ų | 99.4 | 36% | 0.364 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.7 | -36.2 | 175.7 | 99.9 | 0 | 0 | 0 | 0 | 112.7 | E378 L379 N385 K386 | E378-S382 PolarHBondContact O-N 3.3Å; L379-S382 PolarHBondContact O-N 3.3Å; L379-S382 VanDerWaalsContact O-N 3.15Å; L379-S382 PolarHBondContact O-OG 3.24Å; S382-N385 PolarHBondContact O-N 2.97Å; S382-K386 PolarHBondContact O-N 3.41Å |
| 383 | E | 53.5 | Low | 53.6 | Low | 125 Ų | 125 | 101.6 Ų | 101.6 | 58% | 0.584 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.1 | -37.6 | 175.3 | -74.4 | 179.3 | 160.3 | 0 | 0 | 111.6 | L379 N385 K386 A387 | L379-E383 WeakPolarHBondContact O-CG 3.3Å; L379-E383 PolarHBondContact O-N 3.24Å; E383-N385 VanDerWaalsContact C-N 3.34Å; E383-K386 PolarHBondContact O-N 2.95Å; E383-A387 WeakPolarHBondContact O-CB 3.49Å; E383-A387 PolarHBondContact O-N 3.03Å |
| 384 | K | 50.5 | Low | 52 | Low | 147 Ų | 147 | 105.3 Ų | 105.3 | 64% | 0.639 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65 | -37 | 171 | -77.6 | 178.4 | 179.6 | 177 | 0 | 112.4 | S380 T381 I388 | S380-K384 WeakPolarHBondContact O-CG 3.35Å; S380-K384 PolarHBondContact O-N 3.35Å; T381-K384 PolarHBondContact O-N 3.14Å; K384-I388 WeakPolarHBondContact O-CD1 3.34Å; K384-I388 VanDerWaalsContact O-CG1 3.3Å; K384-I388 WeakPolarHBondContact O-CG1 3.12Å; K384-I388 PolarHBondContact O-N 2.88Å |
| 385 | N | 48.3 | Very low | 50.5 | Low | 96 Ų | 96 | 109.3 Ų | 109.3 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.1 | -36.5 | 176.9 | -71.4 | -15.9 | 0 | 0 | 0 | 112.3 | T381 S382 E383 I388 E389 | T381-N385 VanDerWaalsContact O-CG 3.3Å; T381-N385 PolarHBondContact O-N 3.49Å; T381-N385 PolarHBondContact O-ND2 3.16Å; S382-N385 PolarHBondContact O-N 2.97Å; E383-N385 VanDerWaalsContact C-N 3.34Å; N385-I388 PolarHBondContact O-N 3.43Å; N385-E389 PolarHBondContact O-N 3.26Å |
| 386 | K | 49.9 | Very low | 49.3 | Very low | 137 Ų | 137 | 111.6 Ų | 111.6 | 60% | 0.596 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.6 | -37.9 | 172.2 | -78.1 | -177.2 | 176.3 | 179.7 | 0 | 112.9 | S382 E383 I388 E389 D390 | S382-K386 PolarHBondContact O-N 3.41Å; E383-K386 PolarHBondContact O-N 2.95Å; K386-I388 PolarHBondContact O-N 3.05Å; K386-E389 PolarHBondContact O-N 3.25Å; K386-D390 PolarHBondContact O-N 3.36Å |
| 387 | A | 49.7 | Very low | 48.1 | Very low | 71 Ų | 71 | 117.5 Ų | 117.5 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.9 | -21.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E383 | E383-A387 WeakPolarHBondContact O-CB 3.49Å; E383-A387 PolarHBondContact O-N 3.03Å |
| 388 | I | 50 | Low | 47.8 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 60% | 0.595 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -83.8 | -32.1 | 174.6 | -65.9 | 165.7 | 0 | 0 | 0 | 111 | K384 N385 K386 | K384-I388 WeakPolarHBondContact O-CD1 3.34Å; K384-I388 VanDerWaalsContact O-CG1 3.3Å; K384-I388 WeakPolarHBondContact O-CG1 3.12Å; K384-I388 PolarHBondContact O-N 2.88Å; N385-I388 PolarHBondContact O-N 3.43Å; K386-I388 PolarHBondContact O-N 3.05Å |
| 389 | E | 45.9 | Very low | 46.5 | Very low | 153 Ų | 153 | 119.2 Ų | 119.2 | 72% | 0.715 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.2 | -34.3 | 175.3 | -79.1 | -175.9 | 154.5 | 0 | 0 | 113.2 | N385 K386 G391 | N385-E389 PolarHBondContact O-N 3.26Å; K386-E389 PolarHBondContact O-N 3.25Å; E389-G391 PolarHBondContact O-N 3.47Å |
| 390 | D | 48.6 | Very low | 45.6 | Very low | 149 Ų | 149 | 119.3 Ų | 119.3 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -6.2 | 177.8 | -77.3 | -24.3 | 0 | 0 | 0 | 113.9 | K386 | K386-D390 PolarHBondContact O-N 3.36Š|
| 391 | G | 44.3 | Very low | 44.9 | Very low | 63 Ų | 63 | 127.6 Ų | 127.6 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -4.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | E389 | E389-G391 PolarHBondContact O-N 3.47Š|
| 392 | Q | 42.9 | Very low | 44.3 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 76% | 0.757 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -113.8 | 59.6 | -178.4 | -72.3 | -173.4 | -4.8 | 0 | 0 | 112.1 | ||
| 393 | N | 43.8 | Very low | 43.8 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | -160.1 | 95 | 155.6 | -104.6 | -22 | 0 | 0 | 0 | 109.7 | ||||
| 394 | N | 38.5 | Very low | 43.2 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -149.6 | 129.5 | 146.4 | -96.6 | -27.3 | 0 | 0 | 0 | 110.8 | ||||
| 395 | N | 37.2 | Very low | 42.9 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -63 | 146.6 | -167.8 | -73.5 | -44.9 | 0 | 0 | 0 | 114.1 | ||||
| 396 | V | 38.4 | Very low | 42.6 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -74.3 | 131.1 | 163 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 397 | E | 34.6 | Very low | 42.2 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -143.8 | 151.3 | 143.9 | -100.1 | -164.6 | 173.3 | 0 | 0 | 111.5 | ||||
| 398 | P | 51 | Low | 41.7 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | trans | -108.9 | 148.2 | -162 | 38.3 | -26.7 | 0 | 0 | 0 | 113.8 | ||||
| 399 | A | 33.9 | Very low | 41.2 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 85% | 0.85 | S | S | * | * | trans | -149.9 | 109.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 400 | A | 36.9 | Very low | 40.9 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 84% | 0.843 | 86% | 0.859 | S | S | * | * | 89.8 | 123.5 | 80.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 401 | Y | 39.2 | Very low | 40.4 | Very low | 228 Ų | 228 | 141.6 Ų | 141.6 | 89% | 0.894 | 86% | 0.864 | S | S | * | * | trans | -49.5 | 148.5 | 173.8 | -85 | -108.4 | 0 | 0 | 0 | 114.3 | ||||
| 402 | L | 39.8 | Very low | 40.1 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 83% | 0.832 | 88% | 0.88 | S | S | * | * | 179.6 | 122 | 113.3 | -94.2 | 156 | 0 | 0 | 0 | 113 | |||||
| 403 | S | 43 | Very low | 39.8 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 77% | 0.769 | 89% | 0.89 | S | S | * | * | trans | 18 | 132.4 | 144.3 | 56.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 404 | G | 41.6 | Very low | 39.5 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 100% | 1.588 | 90% | 0.902 | S | S | * | * | trans | -175.1 | 0 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 404 of 404 residues in 724.1 ms
(Link to these results)