| 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 | K | 42 | Very low | 41.5 | Very low | 267 Ų | 267 | 139.5 Ų | 139.5 | 100% | 1.161 | 73% | 0.725 | S | S | * | * | 0 | 63.1 | 0 | -75.3 | 176.6 | 173 | 174.4 | 0 | 110.6 | |||||
| 2 | M | 35.7 | Very low | 42.6 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | trans | -124.3 | -27.7 | 179.8 | -161.3 | 66.1 | 78.7 | 0 | 0 | 112 | K4 M5 | M2-K4 VanDerWaalsContact C-N 3.33Å; M2-K4 PolarHBondContact O-N 3.37Å; M2-M5 PolarHBondContact O-N 3.2Å | ||
| 3 | G | 36.6 | Very low | 44.3 | Very low | 66 Ų | 66 | 135.5 Ų | 135.5 | 68% | 0.68 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -70.7 | -14.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 4 | K | 41.6 | Very low | 46.4 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -86.7 | -8.4 | 178 | -82.1 | -173.9 | 174.9 | -178.3 | 0 | 114.1 | M2 S7 | M2-K4 VanDerWaalsContact C-N 3.33Å; M2-K4 PolarHBondContact O-N 3.37Å; K4-S7 PolarHBondContact O-OG 2.92Å |
| 5 | M | 42 | Very low | 48.6 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 71% | 0.714 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -95.4 | -23.4 | -176.9 | -154.3 | 167 | -175.9 | 0 | 0 | 112.7 | M2 | M2-M5 PolarHBondContact O-N 3.2Å |
| 6 | L | 40.5 | Very low | 51 | Low | 119 Ų | 119 | 121 Ų | 121 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.7 | -28.7 | 175.7 | -69 | 170.3 | 0 | 0 | 0 | 113 | K8 I9 | L6-K8 PolarHBondContact O-N 3.07Å; L6-I9 PolarHBondContact O-N 3.15Å |
| 7 | S | 37.4 | Very low | 53.1 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 60% | 0.601 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -9.7 | 175.9 | 63.4 | 0 | 0 | 0 | 0 | 113.8 | K4 | K4-S7 PolarHBondContact O-OG 2.92Š|
| 8 | K | 38.1 | Very low | 55.1 | Low | 184 Ų | 184 | 107.6 Ų | 107.6 | 80% | 0.8 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -11.2 | 177.9 | -103.2 | -174 | 175.4 | -174 | 0 | 113.9 | L6 | L6-K8 PolarHBondContact O-N 3.07Š|
| 9 | I | 47.4 | Very low | 57.1 | Low | 134 Ų | 134 | 101.9 Ų | 101.9 | 69% | 0.687 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -22.4 | -179.1 | -57.1 | 176 | 0 | 0 | 0 | 111.2 | L6 G11 | L6-I9 PolarHBondContact O-N 3.15Å; I9-G11 PolarHBondContact O-N 3.24Å |
| 10 | F | 46.6 | Very low | 58.8 | Low | 146 Ų | 146 | 96.8 Ų | 96.8 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -95.4 | 87.7 | 167 | -72 | -87.7 | 0 | 0 | 0 | 109 | ||
| 11 | G | 49 | Very low | 60.5 | Low | 49 Ų | 49 | 92.2 Ų | 92.2 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | trans | -51 | 148.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I9 K13 | I9-G11 PolarHBondContact O-N 3.24Å; G11-K13 PolarHBondContact O-N 3.21Å | ||
| 12 | N | 54 | Low | 62.9 | Low | 127 Ų | 127 | 80 Ų | 80 | 68% | 0.679 | 42% | 0.416 | S | S | * | . | trans | -57 | 102 | 168.1 | -73.6 | -22.6 | 0 | 0 | 0 | 107.4 | E14 | N12-E14 PolarHBondContact O-N 2.77Š| ||
| 13 | K | 65.6 | Low | 65.4 | Low | 99 Ų | 99 | 75.1 Ų | 75.1 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 105.4 | 177 | -81.8 | -172 | 174.8 | -174.8 | 0 | 106.8 | G11 V58 | G11-K13 PolarHBondContact O-N 3.21Å; K13-V58 HydrophobicContact CB-CG2 4.42Å; K13-V58 VanDerWaalsContact O-CA 3.28Å; K13-V58 WeakPolarHBondContact O-CA 3.37Å; K13-V58 WeakPolarHBondContact O-CG1 3.3Å |
| 14 | E | 72.8 | Confident | 67.9 | Low | 108 Ų | 108 | 75 Ų | 75 | 51% | 0.505 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.7 | 169.8 | -61.2 | -168.5 | 163.4 | 0 | 0 | 108.6 | N12 K59 | N12-E14 PolarHBondContact O-N 2.77Å; E14-K59 HydrophobicContact CG-CB 4.23Å; E14-K59 HydrophobicContact CG-CD 4.34Å; E14-K59 HydrophobicContact CG-CG 4.49Å; E14-K59 WeakPolarHBondContact OE1-CD 3.41Å; E14-K59 WeakPolarHBondContact OE1-CE 3.36Å; E14-K59 IonicContact OE1-NZ 2.66Å; E14-K59 PolarHBondContact OE1-NZ 2.94Å |
| 15 | M | 80.4 | Confident | 70.4 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129 | 178 | -72.9 | -176.1 | 63.5 | 0 | 0 | 109.9 | V58 K59 F60 N61 I117 T171 Y174 | M15-V58 HydrophobicContact CB-CG1 3.98Å; M15-V58 HydrophobicContact CG-CG1 3.88Å; M15-V58 HydrophobicContact SD-CG1 3.97Å; M15-K59 PolarHBondContact N-O 3.29Å; M15-F60 HydrophobicContact CB-CD1 4.38Å; M15-F60 WeakPolarHBondContact O-CA 3.49Å; M15-N61 PolarHBondContact O-N 3.36Å; M15-I117 HydrophobicContact CE-CD1 4.42Å; M15-T171 HydrophobicContact SD-CG2 4.36Å; M15-Y174 VanDerWaalsContact CE-CB 3.47Å; M15-Y174 HydrophobicContact CE-CD1 3.82Å; M15-Y174 HydrophobicContact CE-CD2 3.63Å; M15-Y174 HydrophobicContact CE-CE2 4.4Å; M15-Y174 HydrophobicContact CE-CG 3.32Å; M15-Y174 HydrophobicContact CG-CD1 4Å; M15-Y174 HydrophobicContact CG-CE1 4.19Å; M15-Y174 HydrophobicContact CG-CG 4.47Å; M15-Y174 HydrophobicContact SD-CD1 3.63Å; M15-Y174 HydrophobicContact SD-CE1 4.4Å; M15-Y174 HydrophobicContact SD-CG 3.74Å |
| 16 | R | 85.7 | Confident | 72.7 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 24% | 0.242 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 112 | 171.6 | -175.3 | 167.4 | 172.3 | -177.5 | -6.4 | 109.7 | Y78 T80 G81 Q83 G84 | R16-Y78 PolarHBondContact NH2-O 2.79Å; R16-Y78 VanDerWaalsContact NH2-O 3.08Å; R16-T80 PolarHBondContact NH1-O 2.82Å; R16-T80 PolarHBondContact NH2-O 2.92Å; R16-T80 VanDerWaalsContact NH2-O 3.11Å; R16-G81 WeakPolarHBondContact CB-O 3.15Å; R16-G81 WeakPolarHBondContact CD-O 3.29Å; R16-Q83 PolarHBondContact O-N 3.14Å; R16-G84 PolarHBondContact O-N 2.94Å |
| 17 | I | 87.3 | Confident | 75 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.4 | -178.8 | -67.2 | -171.9 | 0 | 0 | 0 | 111.3 | F60 N61 V62 G84 I86 L170 | I17-F60 HydrophobicContact CD1-CB 4.31Å; I17-F60 HydrophobicContact CD1-CD1 3.02Å; I17-F60 HydrophobicContact CD1-CE1 3.45Å; I17-F60 VanDerWaalsContact CD1-CE1 3.45Å; I17-F60 HydrophobicContact CD1-CG 3.99Å; I17-F60 HydrophobicContact CG1-CD1 3.79Å; I17-F60 HydrophobicContact CG1-CE1 4.47Å; I17-N61 CarbonylContact C-O 3.57Å; I17-N61 PolarHBondContact N-O 3.42Å; I17-N61 CarbonylContact O-C 3.59Å; I17-V62 WeakPolarHBondContact O-CA 3.28Å; I17-G84 CarbonylContact C-O 3.55Å; I17-G84 VanDerWaalsContact CA-O 3.3Å; I17-G84 WeakPolarHBondContact CA-O 3.38Å; I17-I86 HydrophobicContact CD1-CD1 4.3Å; I17-I86 HydrophobicContact CG2-CB 4.35Å; I17-I86 HydrophobicContact CG2-CD1 3.71Å; I17-I86 HydrophobicContact CG2-CG1 3.66Å; I17-L170 HydrophobicContact CD1-CD2 3.16Å; I17-L170 HydrophobicContact CG1-CD2 4.17Å |
| 18 | L | 89.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 125.8 | 170.9 | -174.6 | 47.3 | 0 | 0 | 0 | 109.7 | L20 W63 Y79 T82 G84 L85 I86 M113 | L18-L20 HydrophobicContact CD1-CD1 4.2Å; L18-L20 HydrophobicContact CD1-CD2 3.93Å; L18-L20 HydrophobicContact CD1-CG 3.93Å; L18-L20 HydrophobicContact CD2-CD1 3.73Å; L18-L20 HydrophobicContact CD2-CG 4.32Å; L18-L20 HydrophobicContact CG-CD1 3.69Å; L18-L20 HydrophobicContact CG-CD2 4.28Å; L18-L20 HydrophobicContact CG-CG 3.73Å; L18-W63 HydrophobicContact CD1-CB 3.57Å; L18-W63 HydrophobicContact CD1-CG 4.03Å; L18-Y79 HydrophobicContact CD2-CD1 3.48Å; L18-Y79 VanDerWaalsContact CD2-CD1 3.48Å; L18-Y79 HydrophobicContact CD2-CE1 3.83Å; L18-T82 HydrophobicContact CB-CG2 3.61Å; L18-G84 PolarHBondContact N-O 3.3Å; L18-L85 HydrophobicContact CB-CD1 4.46Å; L18-L85 HydrophobicContact CG-CD1 4.47Å; L18-L85 CarbonylContact O-C 3.53Å; L18-L85 WeakPolarHBondContact O-CA 3.44Å; L18-I86 PolarHBondContact O-N 3.25Å; L18-M113 HydrophobicContact CD2-SD 4.36Å |
| 19 | M | 91.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 111.6 | 174.3 | -174.6 | -175.2 | -65.8 | 0 | 0 | 110.3 | K27 I30 V62 I86 V88 | M19-K27 HydrophobicContact CG-CB 4.34Å; M19-K27 HydrophobicContact CG-CD 4.48Å; M19-K27 HydrophobicContact CG-CG 4.27Å; M19-K27 HydrophobicContact SD-CB 3.92Å; M19-K27 HydrophobicContact SD-CG 4.39Å; M19-I30 HydrophobicContact CE-CB 4.48Å; M19-I30 HydrophobicContact CE-CG2 3.75Å; M19-I30 HydrophobicContact SD-CB 4.47Å; M19-I30 HydrophobicContact SD-CG2 4.35Å; M19-V62 HydrophobicContact CB-CG1 3.51Å; M19-V62 HydrophobicContact CE-CG1 3.89Å; M19-V62 HydrophobicContact CG-CG1 4.45Å; M19-V62 HydrophobicContact SD-CG1 4.24Å; M19-I86 CarbonylContact C-O 3.58Å; M19-I86 VanDerWaalsContact CA-O 3.26Å; M19-I86 WeakPolarHBondContact CA-O 3.3Å; M19-I86 HydrophobicContact CB-CB 4.33Å; M19-I86 HydrophobicContact CE-CD1 4.22Å; M19-I86 HydrophobicContact CE-CG2 4.29Å; M19-I86 HydrophobicContact CG-CB 4.19Å; M19-I86 HydrophobicContact CG-CG2 4.09Å; M19-V88 HydrophobicContact CG-CG2 3.88Å; M19-V88 HydrophobicContact SD-CG2 4.13Å |
| 20 | L | 92.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 175.3 | -176.7 | -62.2 | 176.1 | 0 | 0 | 0 | 111.3 | L18 K27 V65 W75 Y79 L85 I86 F87 V88 I107 | L18-L20 HydrophobicContact CD1-CD1 4.2Å; L18-L20 HydrophobicContact CD1-CD2 3.93Å; L18-L20 HydrophobicContact CD1-CG 3.93Å; L18-L20 HydrophobicContact CD2-CD1 3.73Å; L18-L20 HydrophobicContact CD2-CG 4.32Å; L18-L20 HydrophobicContact CG-CD1 3.69Å; L18-L20 HydrophobicContact CG-CD2 4.28Å; L18-L20 HydrophobicContact CG-CG 3.73Å; L20-K27 VanDerWaalsContact C-CD 3.47Å; L20-V65 HydrophobicContact CD2-CB 3.74Å; L20-V65 HydrophobicContact CD2-CG2 3.84Å; L20-W75 HydrophobicContact CB-CZ3 4.5Å; L20-W75 HydrophobicContact CD1-CB 4.14Å; L20-W75 HydrophobicContact CD1-CD2 3.99Å; L20-W75 HydrophobicContact CD1-CE3 3.97Å; L20-W75 HydrophobicContact CD1-CG 4.13Å; L20-W75 HydrophobicContact CD2-CB 4.38Å; L20-W75 HydrophobicContact CD2-CD2 3.79Å; L20-W75 HydrophobicContact CD2-CE3 4.46Å; L20-W75 HydrophobicContact CD2-CG 3.77Å; L20-W75 HydrophobicContact CD2-CZ2 4.4Å; L20-W75 HydrophobicContact CG-CD2 4.34Å; L20-Y79 HydrophobicContact CD1-CE1 4.16Å; L20-L85 HydrophobicContact CB-CD1 4.25Å; L20-L85 HydrophobicContact CD1-CD1 4.18Å; L20-L85 HydrophobicContact CG-CD1 4.34Å; L20-I86 PolarHBondContact N-O 2.89Å; L20-F87 HydrophobicContact CB-CD2 4.28Å; L20-F87 CarbonylContact O-C 3.52Å; L20-F87 WeakPolarHBondContact O-CA 3.21Å; L20-V88 PolarHBondContact O-N 3.42Å; L20-I107 HydrophobicContact CB-CD1 4.13Å; L20-I107 HydrophobicContact CD1-CD1 3.7Å; L20-I107 HydrophobicContact CD1-CG1 4.11Å; L20-I107 HydrophobicContact CD1-CG2 4.41Å |
| 21 | G | 93.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | 144 | 165.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | K27 W75 | G21-K27 PolarHBondContact O-NZ 3.17Å; G21-W75 WeakPolarHBondContact O-CZ2 3.26Å | ||
| 22 | L | 92.9 | Very high | 84.9 | Confident | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | trans | -61.7 | 164.1 | 179.3 | -50.1 | -173.5 | 0 | 0 | 0 | 111.5 | A25 K27 R96 E99 A100 E103 | L22-A25 VanDerWaalsContact O-CB 3.27Å; L22-A25 WeakPolarHBondContact O-CB 3.48Å; L22-A25 PolarHBondContact O-N 3.29Å; L22-K27 PolarHBondContact O-NZ 2.86Å; L22-R96 HydrophobicContact CD1-CB 3.8Å; L22-E99 HydrophobicContact CD1-CB 4.2Å; L22-E99 HydrophobicContact CD1-CG 4.2Å; L22-E99 HydrophobicContact CD2-CG 4.19Å; L22-A100 HydrophobicContact CD1-CB 3.89Å; L22-A100 HydrophobicContact CG-CB 4.07Å; L22-E103 HydrophobicContact CD2-CB 4.42Å; L22-E103 HydrophobicContact CD2-CG 3.85Å | ||
| 23 | D | 87 | Confident | 86.4 | Confident | 46 Ų | 46 | 35.6 Ų | 35.6 | 25% | 0.246 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 155 | 169.3 | 55.4 | -80.6 | 0 | 0 | 0 | 110.8 | A25 G67 Q68 R72 R96 | D23-A25 PolarHBondContact O-N 3.2Å; D23-G67 PolarHBondContact N-O 2.87Å; D23-G67 VanDerWaalsContact N-O 3.15Å; D23-G67 VanDerWaalsContact OD1-O 3.11Å; D23-Q68 HydrophobicContact CB-CG 4.03Å; D23-R72 IonicContact OD1-NH2 3.14Å; D23-R96 IonicContact OD1-NH1 2.63Å; D23-R96 PolarHBondContact OD1-NH1 3Å; D23-R96 IonicContact OD2-CZ 2.78Å; D23-R96 IonicContact OD2-NH1 3.29Å; D23-R96 PolarHBondContact OD2-NH1 3.02Å; D23-R96 IonicContact OD2-NH2 2.63Å |
| 24 | A | 89.3 | Confident | 87 | Confident | 65 Ų | 65 | 31.7 Ų | 31.7 | 54% | 0.537 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 0.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | G26 K124 | A24-G26 PolarHBondContact O-N 3.11Å; A24-G26 VanDerWaalsContact O-N 3.16Å; A24-K124 WeakPolarHBondContact O-CE 3.15Å; A24-K124 PolarHBondContact O-NZ 2.89Å |
| 25 | A | 93.9 | Very high | 87 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -64.3 | -19.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L22 D23 V88 N123 | L22-A25 VanDerWaalsContact O-CB 3.27Å; L22-A25 WeakPolarHBondContact O-CB 3.48Å; L22-A25 PolarHBondContact O-N 3.29Å; D23-A25 PolarHBondContact O-N 3.2Å; A25-V88 HydrophobicContact CB-CB 4.33Å; A25-V88 HydrophobicContact CB-CG1 4.1Å; A25-V88 WeakPolarHBondContact CB-O 3.47Å; A25-V88 VanDerWaalsContact O-CG1 3.3Å; A25-V88 WeakPolarHBondContact O-CG1 3.41Å; A25-N123 PolarHBondContact O-ND2 3.27Å |
| 26 | G | 91.1 | Very high | 86.4 | Confident | 12 Ų | 12 | 35 Ų | 35 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 102.6 | 15.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A24 T28 T29 I30 | A24-G26 PolarHBondContact O-N 3.11Å; A24-G26 VanDerWaalsContact O-N 3.16Å; G26-T28 PolarHBondContact O-N 3.3Å; G26-T29 WeakPolarHBondContact O-CB 3.49Å; G26-T29 PolarHBondContact O-N 2.94Å; G26-I30 WeakPolarHBondContact O-CG1 3.49Å; G26-I30 PolarHBondContact O-N 3.47Å |
| 27 | K | 89.3 | Confident | 85.3 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -51.5 | -55.5 | 178.1 | -60.9 | -175.6 | -61.9 | -75.2 | 0 | 113.1 | M19 L20 G21 L22 T29 I30 L31 V65 V88 | M19-K27 HydrophobicContact CG-CB 4.34Å; M19-K27 HydrophobicContact CG-CD 4.48Å; M19-K27 HydrophobicContact CG-CG 4.27Å; M19-K27 HydrophobicContact SD-CB 3.92Å; M19-K27 HydrophobicContact SD-CG 4.39Å; L20-K27 VanDerWaalsContact C-CD 3.47Å; G21-K27 PolarHBondContact O-NZ 3.17Å; L22-K27 PolarHBondContact O-NZ 2.86Å; K27-T29 VanDerWaalsContact C-N 3.32Å; K27-T29 PolarHBondContact O-N 3.2Å; K27-I30 WeakPolarHBondContact O-CB 3.43Å; K27-I30 PolarHBondContact O-N 3.4Å; K27-L31 PolarHBondContact O-N 3.29Å; K27-V65 WeakPolarHBondContact CE-O 3.4Å; K27-V88 HydrophobicContact CG-CB 3.88Å; K27-V88 HydrophobicContact CG-CG2 3.81Å |
| 28 | T | 83.7 | Confident | 83.1 | Confident | 65 Ų | 65 | 43 Ų | 43 | 40% | 0.399 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.9 | -43.8 | 178.2 | -45.7 | 0 | 0 | 0 | 0 | 111 | G26 I30 L31 Y32 D64 | G26-T28 PolarHBondContact O-N 3.3Å; T28-I30 PolarHBondContact O-N 3.02Å; T28-L31 WeakPolarHBondContact O-CB 3.47Å; T28-L31 PolarHBondContact O-N 3.09Å; T28-Y32 HydrophobicContact CG2-CD2 3.67Å; T28-Y32 HydrophobicContact CG2-CE2 3.58Å; T28-Y32 VanDerWaalsContact O-CD2 3.28Å; T28-Y32 WeakPolarHBondContact O-CD2 3.48Å; T28-Y32 PolarHBondContact O-N 2.83Å; T28-D64 WeakPolarHBondContact CB-OD2 3.3Å; T28-D64 PolarHBondContact OG1-OD2 3.2Å |
| 29 | T | 87.8 | Confident | 80.5 | Confident | 66 Ų | 66 | 48.4 Ų | 48.4 | 41% | 0.405 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 177 | -48.1 | 0 | 0 | 0 | 0 | 112 | G26 K27 Y32 K33 A157 T158 | G26-T29 WeakPolarHBondContact O-CB 3.49Å; G26-T29 PolarHBondContact O-N 2.94Å; K27-T29 VanDerWaalsContact C-N 3.32Å; K27-T29 PolarHBondContact O-N 3.2Å; T29-Y32 PolarHBondContact O-N 3.36Å; T29-K33 VanDerWaalsContact O-CB 3.24Å; T29-K33 WeakPolarHBondContact O-CB 3.5Å; T29-K33 PolarHBondContact O-N 3.1Å; T29-A157 HydrophobicContact CG2-CB 3.68Å; T29-T158 HydrophobicContact CG2-CG2 4.38Å |
| 30 | I | 89.3 | Confident | 78 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 174.8 | -68.8 | 174.9 | 0 | 0 | 0 | 110.3 | M19 G26 K27 T28 Y32 K33 L34 V88 F121 A157 L163 | M19-I30 HydrophobicContact CE-CB 4.48Å; M19-I30 HydrophobicContact CE-CG2 3.75Å; M19-I30 HydrophobicContact SD-CB 4.47Å; M19-I30 HydrophobicContact SD-CG2 4.35Å; G26-I30 WeakPolarHBondContact O-CG1 3.49Å; G26-I30 PolarHBondContact O-N 3.47Å; K27-I30 WeakPolarHBondContact O-CB 3.43Å; K27-I30 PolarHBondContact O-N 3.4Å; T28-I30 PolarHBondContact O-N 3.02Å; I30-Y32 PolarHBondContact O-N 3.09Å; I30-K33 PolarHBondContact O-N 3.01Å; I30-L34 HydrophobicContact CG2-CD1 3.74Å; I30-L34 HydrophobicContact CG2-CG 4.33Å; I30-L34 WeakPolarHBondContact O-CB 3.12Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.45Å; I30-L34 PolarHBondContact O-N 2.95Å; I30-V88 HydrophobicContact CD1-CG1 3.72Å; I30-V88 HydrophobicContact CD1-CG2 3.96Å; I30-F121 HydrophobicContact CD1-CB 4.27Å; I30-F121 HydrophobicContact CD1-CD2 3.9Å; I30-F121 HydrophobicContact CD1-CG 4.25Å; I30-F121 HydrophobicContact CG2-CE2 4.26Å; I30-A157 HydrophobicContact CD1-CB 4.41Å; I30-A157 HydrophobicContact CG1-CB 3.5Å; I30-A157 VanDerWaalsContact CG1-CB 3.5Å; I30-L163 HydrophobicContact CD1-CD2 4.05Å; I30-L163 HydrophobicContact CG1-CD1 4.45Å; I30-L163 HydrophobicContact CG1-CD2 3.88Å; I30-L163 HydrophobicContact CG2-CD1 4.24Å; I30-L163 HydrophobicContact CG2-CD2 3.99Å |
| 31 | L | 84.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57 | -50.4 | -179.9 | 178.3 | 64.2 | 0 | 0 | 0 | 112 | K27 T28 L34 K35 E51 V53 V62 D64 | K27-L31 PolarHBondContact O-N 3.29Å; T28-L31 WeakPolarHBondContact O-CB 3.47Å; T28-L31 PolarHBondContact O-N 3.09Å; L31-L34 PolarHBondContact O-N 3.21Å; L31-K35 VanDerWaalsContact O-CB 3.23Å; L31-K35 WeakPolarHBondContact O-CB 3.39Å; L31-K35 PolarHBondContact O-N 3.4Å; L31-E51 HydrophobicContact CD1-CB 3.88Å; L31-E51 HydrophobicContact CD2-CB 3.88Å; L31-E51 HydrophobicContact CD2-CG 3.85Å; L31-E51 HydrophobicContact CG-CB 4.27Å; L31-V53 HydrophobicContact CD1-CG2 3.58Å; L31-V62 HydrophobicContact CD1-CB 3.73Å; L31-V62 HydrophobicContact CD1-CG1 3.82Å; L31-V62 HydrophobicContact CD1-CG2 4.1Å; L31-D64 HydrophobicContact CD2-CB 3.97Å |
| 32 | Y | 80.3 | Confident | 72.5 | Confident | 110 Ų | 110 | 65.6 Ų | 65.6 | 43% | 0.431 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 178.7 | -84.8 | -89.7 | 0 | 0 | 0 | 112.2 | T28 T29 I30 L34 K35 L36 | T28-Y32 HydrophobicContact CG2-CD2 3.67Å; T28-Y32 HydrophobicContact CG2-CE2 3.58Å; T28-Y32 VanDerWaalsContact O-CD2 3.28Å; T28-Y32 WeakPolarHBondContact O-CD2 3.48Å; T28-Y32 PolarHBondContact O-N 2.83Å; T29-Y32 PolarHBondContact O-N 3.36Å; I30-Y32 PolarHBondContact O-N 3.09Å; Y32-L34 VanDerWaalsContact C-N 3.28Å; Y32-L34 PolarHBondContact O-N 3.42Å; Y32-K35 PolarHBondContact O-N 2.85Å; Y32-L36 HydrophobicContact CD1-CD1 4.02Å; Y32-L36 HydrophobicContact CD1-CG 4.47Å; Y32-L36 WeakPolarHBondContact O-CB 3.47Å; Y32-L36 WeakPolarHBondContact O-CG 3.41Å; Y32-L36 PolarHBondContact O-N 3.2Å |
| 33 | K | 84.8 | Confident | 69.9 | Low | 86 Ų | 86 | 72.5 Ų | 72.5 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 175.9 | -169.1 | 72.5 | 179.2 | -163.2 | 0 | 111.5 | T29 I30 T158 T159 L163 | T29-K33 VanDerWaalsContact O-CB 3.24Å; T29-K33 WeakPolarHBondContact O-CB 3.5Å; T29-K33 PolarHBondContact O-N 3.1Å; I30-K33 PolarHBondContact O-N 3.01Å; K33-T158 PolarHBondContact NZ-O 2.63Å; K33-T159 VanDerWaalsContact CE-C 3.48Å; K33-T159 WeakPolarHBondContact CE-O 3.44Å; K33-T159 PolarHBondContact NZ-O 3.16Å; K33-L163 HydrophobicContact CB-CD1 4.14Å; K33-L163 HydrophobicContact CG-CD1 3.94Å |
| 34 | L | 79.6 | Confident | 67 | Low | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.084 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -74.5 | -37 | 176.5 | -67 | 171.8 | 0 | 0 | 0 | 112.8 | I30 L31 Y32 V53 L163 Y164 L167 | I30-L34 HydrophobicContact CG2-CD1 3.74Å; I30-L34 HydrophobicContact CG2-CG 4.33Å; I30-L34 WeakPolarHBondContact O-CB 3.12Å; I30-L34 VanDerWaalsContact O-CG 3.27Å; I30-L34 WeakPolarHBondContact O-CG 3.45Å; I30-L34 PolarHBondContact O-N 2.95Å; L31-L34 PolarHBondContact O-N 3.21Å; Y32-L34 VanDerWaalsContact C-N 3.28Å; Y32-L34 PolarHBondContact O-N 3.42Å; L34-V53 HydrophobicContact CB-CG1 3.89Å; L34-L163 HydrophobicContact CD2-CB 4.1Å; L34-L163 HydrophobicContact CD2-CD1 4.46Å; L34-L163 HydrophobicContact CG-CD1 4.46Å; L34-Y164 HydrophobicContact CD2-CD1 4.38Å; L34-Y164 HydrophobicContact CD2-CE1 4.08Å; L34-L167 HydrophobicContact CD1-CD1 3.91Å; L34-L167 HydrophobicContact CD2-CD1 3.64Å; L34-L167 HydrophobicContact CG-CD1 4.41Å |
| 35 | K | 72.7 | Confident | 64.6 | Low | 46 Ų | 46 | 79 Ų | 79 | 20% | 0.2 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -73.6 | -40.6 | -176.9 | -170.1 | 178 | 180 | -177.6 | 0 | 113.2 | L31 Y32 G37 E51 V53 | L31-K35 VanDerWaalsContact O-CB 3.23Å; L31-K35 WeakPolarHBondContact O-CB 3.39Å; L31-K35 PolarHBondContact O-N 3.4Å; Y32-K35 PolarHBondContact O-N 2.85Å; K35-G37 PolarHBondContact O-N 3.34Å; K35-E51 IonicContact NZ-OE1 2.81Å; K35-E51 PolarHBondContact NZ-OE1 3.04Å; K35-E51 IonicContact NZ-OE2 2.63Å; K35-E51 PolarHBondContact NZ-OE2 3.41Å; K35-V53 HydrophobicContact CB-CG2 4.32Å |
| 36 | L | 67.7 | Low | 61.6 | Low | 134 Ų | 134 | 86.5 Ų | 86.5 | 70% | 0.702 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 10.5 | -172.5 | -66 | 174 | 0 | 0 | 0 | 114.3 | Y32 Q38 | Y32-L36 HydrophobicContact CD1-CD1 4.02Å; Y32-L36 HydrophobicContact CD1-CG 4.47Å; Y32-L36 WeakPolarHBondContact O-CB 3.47Å; Y32-L36 WeakPolarHBondContact O-CG 3.41Å; Y32-L36 PolarHBondContact O-N 3.2Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 3.23Å |
| 37 | G | 61.9 | Low | 59.8 | Low | 53 Ų | 53 | 88.9 Ų | 88.9 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K35 | K35-G37 PolarHBondContact O-N 3.34Š|
| 38 | Q | 41.7 | Very low | 58.2 | Low | 181 Ų | 181 | 92.1 Ų | 92.1 | 85% | 0.846 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 180 | 156.3 | 161.5 | -103.9 | -174.9 | 4.8 | 0 | 0 | 110.1 | L36 | L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 3.23Å |
| 39 | S | 34.8 | Very low | 57 | Low | 113 Ų | 113 | 91.7 Ų | 91.7 | 79% | 0.79 | 53% | 0.533 | S | S | * | . | trans | -52.5 | 133.7 | -162.2 | 59.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 40 | V | 38.8 | Very low | 55.8 | Low | 129 Ų | 129 | 91.5 Ų | 91.5 | 78% | 0.782 | 53% | 0.531 | S | S | * | . | -154.8 | 148.9 | 129.3 | -164.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 41 | T | 34.3 | Very low | 54.7 | Low | 135 Ų | 135 | 93 Ų | 93 | 83% | 0.828 | 54% | 0.538 | S | S | * | . | trans | -49 | 142.2 | 176.5 | 13.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 42 | T | 37.9 | Very low | 53.8 | Low | 97 Ų | 97 | 96.2 Ų | 96.2 | 60% | 0.595 | 56% | 0.558 | S | S | * | * | trans | -90.9 | 144.6 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 43 | I | 37.3 | Very low | 53.4 | Low | 156 Ų | 156 | 91.2 Ų | 91.2 | 80% | 0.8 | 54% | 0.539 | S | S | * | . | trans | -111.6 | 114 | 156.4 | -59.6 | 174.7 | 0 | 0 | 0 | 106.3 | ||||
| 44 | P | 26.7 | Very low | 52.7 | Low | 116 Ų | 116 | 91.3 Ų | 91.3 | 75% | 0.753 | 55% | 0.547 | S | S | * | . | trans | -73.9 | 133.7 | 176.5 | -4.8 | 20.6 | 0 | 0 | 0 | 109.5 | ||||
| 45 | T | 38 | Very low | 52.2 | Low | 131 Ų | 131 | 92.1 Ų | 92.1 | 80% | 0.804 | 55% | 0.549 | S | S | * | . | trans | -135.3 | 152.2 | 159.8 | 27.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 46 | V | 32.2 | Very low | 52 | Low | 159 Ų | 159 | 96.5 Ų | 96.5 | 96% | 0.964 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -75.8 | 121.8 | -172.4 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 47 | G | 52.9 | Low | 51.7 | Low | 62 Ų | 62 | 93.6 Ų | 93.6 | 64% | 0.639 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 127.8 | -155.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 48 | F | 55.2 | Low | 51.7 | Low | 80 Ų | 80 | 91.5 Ų | 91.5 | 35% | 0.351 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -45.9 | 134.3 | 172 | -65.7 | -96.7 | 0 | 0 | 0 | 111.8 | V50 V65 L74 Y78 | F48-V50 PolarHBondContact O-N 2.75Å; F48-V65 HydrophobicContact CD1-CB 4.39Å; F48-V65 HydrophobicContact CD1-CG1 3.54Å; F48-V65 HydrophobicContact CD1-CG2 4.23Å; F48-V65 HydrophobicContact CE1-CG1 3.42Å; F48-V65 VanDerWaalsContact CE1-CG1 3.42Å; F48-L74 HydrophobicContact CE1-CB 3.7Å; F48-L74 HydrophobicContact CE1-CD1 4.27Å; F48-L74 HydrophobicContact CE2-CB 4.46Å; F48-L74 HydrophobicContact CE2-CD1 4.35Å; F48-L74 HydrophobicContact CZ-CB 3.35Å; F48-L74 HydrophobicContact CZ-CD1 3.47Å; F48-L74 VanDerWaalsContact CZ-CD1 3.47Å; F48-L74 HydrophobicContact CZ-CD2 4.38Å; F48-L74 HydrophobicContact CZ-CG 3.85Å; F48-Y78 HydrophobicContact CB-CE2 4.41Å; F48-Y78 WeakPolarHBondContact CB-OH 3.43Å; F48-Y78 AromaticContact CD1-CE2 3.59Å; F48-Y78 HydrophobicContact CD1-CE2 3.59Å; F48-Y78 AromaticContact CD1-CZ 3.91Å; F48-Y78 HydrophobicContact CD2-CE2 4.49Å; F48-Y78 WeakPolarHBondContact CD2-OH 3.48Å; F48-Y78 AromaticContact CE1-CE2 3.9Å; F48-Y78 HydrophobicContact CE1-CE2 3.9Å; F48-Y78 AromaticContact CG-CE2 3.93Å; F48-Y78 HydrophobicContact CG-CE2 3.93Å; F48-Y78 AromaticContact CG-CZ 3.74Å; F48-Y78 WeakPolarHBondContact CG-OH 3.36Å; F48-Y78 HydrophobicContact CZ-CE2 4.47Å |
| 49 | N | 59.4 | Low | 52.8 | Low | 55 Ų | 55 | 86.8 Ų | 86.8 | 29% | 0.294 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 114.8 | -175.2 | -164.3 | 30.4 | 0 | 0 | 0 | 110.2 | E51 D64 | N49-E51 WeakPolarHBondContact ND2-CG 3.49Å; N49-E51 PolarHBondContact ND2-OE1 2.8Å; N49-E51 WeakPolarHBondContact OD1-CG 3.22Å; N49-D64 HydrophobicContact CB-CB 4.43Å; N49-D64 PolarHBondContact O-N 3.5Å |
| 50 | V | 60.7 | Low | 54.3 | Low | 62 Ų | 62 | 81.5 Ų | 81.5 | 38% | 0.376 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.3 | 170.6 | -164.9 | 0 | 0 | 0 | 0 | 106.9 | F48 W63 | F48-V50 PolarHBondContact O-N 2.75Å; V50-W63 HydrophobicContact CB-CE3 4.07Å; V50-W63 HydrophobicContact CB-CZ3 4.14Å; V50-W63 HydrophobicContact CG1-CD2 3.88Å; V50-W63 HydrophobicContact CG1-CE3 3.81Å; V50-W63 HydrophobicContact CG1-CH2 4Å; V50-W63 HydrophobicContact CG1-CZ2 4.06Å; V50-W63 HydrophobicContact CG1-CZ3 3.89Å; V50-W63 HydrophobicContact CG2-CD2 4.09Å; V50-W63 HydrophobicContact CG2-CE3 3.2Å; V50-W63 HydrophobicContact CG2-CH2 4.01Å; V50-W63 HydrophobicContact CG2-CZ3 3.16Å |
| 51 | E | 67 | Low | 55.6 | Low | 31 Ų | 31 | 77.6 Ų | 77.6 | 15% | 0.145 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 123.5 | -176.3 | -68.1 | -76.8 | -142.9 | 0 | 0 | 109.5 | L31 K35 N49 V53 V62 | L31-E51 HydrophobicContact CD1-CB 3.88Å; L31-E51 HydrophobicContact CD2-CB 3.88Å; L31-E51 HydrophobicContact CD2-CG 3.85Å; L31-E51 HydrophobicContact CG-CB 4.27Å; K35-E51 IonicContact NZ-OE1 2.81Å; K35-E51 PolarHBondContact NZ-OE1 3.04Å; K35-E51 IonicContact NZ-OE2 2.63Å; K35-E51 PolarHBondContact NZ-OE2 3.41Å; N49-E51 WeakPolarHBondContact ND2-CG 3.49Å; N49-E51 PolarHBondContact ND2-OE1 2.8Å; N49-E51 WeakPolarHBondContact OD1-CG 3.22Å; E51-V53 PolarHBondContact O-N 3.01Å; E51-V62 PolarHBondContact N-O 2.96Å; E51-V62 PolarHBondContact O-N 3.41Å |
| 52 | T | 66.6 | Low | 57.1 | Low | 68 Ų | 68 | 71.4 Ų | 71.4 | 42% | 0.417 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 116.5 | 174.4 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | K59 F60 N61 | T52-K59 HydrophobicContact CG2-CB 4.17Å; T52-K59 HydrophobicContact CG2-CD 4.44Å; T52-F60 CarbonylContact C-O 3.56Å; T52-F60 VanDerWaalsContact CA-O 3.26Å; T52-F60 WeakPolarHBondContact CA-O 3.49Å; T52-N61 PolarHBondContact OG1-OD1 2.92Å |
| 53 | V | 70.9 | Confident | 58.4 | Low | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.03 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 135.5 | 169.9 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | L31 L34 K35 E51 F60 V62 | L31-V53 HydrophobicContact CD1-CG2 3.58Å; L34-V53 HydrophobicContact CB-CG1 3.89Å; K35-V53 HydrophobicContact CB-CG2 4.32Å; E51-V53 PolarHBondContact O-N 3.01Å; V53-F60 HydrophobicContact CB-CB 4.42Å; V53-F60 PolarHBondContact N-O 3.11Å; V53-F60 WeakPolarHBondContact O-CB 3.38Å; V53-F60 WeakPolarHBondContact O-CD2 2.96Å; V53-F60 PolarHBondContact O-N 2.98Å; V53-V62 HydrophobicContact CG2-CG2 4.3Å |
| 54 | T | 69.2 | Low | 59.7 | Low | 89 Ų | 89 | 62.4 Ų | 62.4 | 55% | 0.546 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.8 | 170.5 | -57.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 55 | Y | 69.9 | Low | 61.5 | Low | 32 Ų | 32 | 57 Ų | 57 | 13% | 0.125 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 122.4 | 168.5 | 164.2 | -93.9 | 0 | 0 | 0 | 109.8 | N57 V58 F60 Y164 L167 T168 | Y55-N57 PolarHBondContact O-N 3.39Å; Y55-V58 PolarHBondContact N-O 3.29Å; Y55-V58 PolarHBondContact O-N 2.8Å; Y55-V58 VanDerWaalsContact O-O 3.12Å; Y55-F60 HydrophobicContact CD1-CE2 4.1Å; Y55-F60 HydrophobicContact CD1-CZ 4.23Å; Y55-F60 HydrophobicContact CG-CE2 4.29Å; Y55-Y164 AromaticContact CD2-CD1 3.57Å; Y55-Y164 HydrophobicContact CD2-CD1 3.57Å; Y55-Y164 AromaticContact CD2-CE1 3.81Å; Y55-Y164 HydrophobicContact CD2-CE1 3.81Å; Y55-Y164 AromaticContact CE2-CD1 3.31Å; Y55-Y164 HydrophobicContact CE2-CD1 3.31Å; Y55-Y164 AromaticContact CE2-CE1 3.94Å; Y55-Y164 HydrophobicContact CE2-CE1 3.94Å; Y55-Y164 HydrophobicContact CE2-CG 4.23Å; Y55-L167 HydrophobicContact CD1-CB 4Å; Y55-L167 HydrophobicContact CD1-CD1 4.35Å; Y55-L167 HydrophobicContact CE1-CB 4.03Å; Y55-L167 HydrophobicContact CG-CD1 4.15Å; Y55-T168 PolarHBondContact OH-OG1 3.45Å |
| 56 | K | 68.9 | Low | 62.8 | Low | 138 Ų | 138 | 52.2 Ų | 52.2 | 60% | 0.6 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | -126.5 | -166.8 | -63 | 172.4 | 172.5 | 158.6 | 0 | 110.8 | ||
| 57 | N | 61.6 | Low | 64.6 | Low | 73 Ų | 73 | 44.8 Ų | 44.8 | 39% | 0.39 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 14.4 | 177.2 | 64 | -42.3 | 0 | 0 | 0 | 112.8 | Y55 | Y55-N57 PolarHBondContact O-N 3.39Š|
| 58 | V | 62 | Low | 65.6 | Low | 10 Ų | 10 | 47.7 Ų | 47.7 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126 | -178.8 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | K13 M15 Y55 F60 T171 | K13-V58 HydrophobicContact CB-CG2 4.42Å; K13-V58 VanDerWaalsContact O-CA 3.28Å; K13-V58 WeakPolarHBondContact O-CA 3.37Å; K13-V58 WeakPolarHBondContact O-CG1 3.3Å; M15-V58 HydrophobicContact CB-CG1 3.98Å; M15-V58 HydrophobicContact CG-CG1 3.88Å; M15-V58 HydrophobicContact SD-CG1 3.97Å; Y55-V58 PolarHBondContact N-O 3.29Å; Y55-V58 PolarHBondContact O-N 2.8Å; Y55-V58 VanDerWaalsContact O-O 3.12Å; V58-F60 HydrophobicContact CB-CE1 4.27Å; V58-F60 HydrophobicContact CB-CE2 3.76Å; V58-F60 HydrophobicContact CB-CZ 3.66Å; V58-F60 HydrophobicContact CG1-CD1 3.93Å; V58-F60 HydrophobicContact CG1-CD2 4.35Å; V58-F60 HydrophobicContact CG1-CE1 3.45Å; V58-F60 VanDerWaalsContact CG1-CE1 3.45Å; V58-F60 HydrophobicContact CG1-CE2 3.74Å; V58-F60 HydrophobicContact CG1-CG 4.46Å; V58-F60 HydrophobicContact CG1-CZ 3.37Å; V58-F60 WeakPolarHBondContact O-CD2 3.36Å; V58-F60 VanDerWaalsContact O-CE2 3.3Å; V58-F60 WeakPolarHBondContact O-CE2 3.35Å; V58-T171 HydrophobicContact CB-CG2 4.24Å; V58-T171 HydrophobicContact CG1-CG2 4.22Å; V58-T171 HydrophobicContact CG2-CG2 3.95Å |
| 59 | K | 64.6 | Low | 66.7 | Low | 81 Ų | 81 | 48.8 Ų | 48.8 | 35% | 0.352 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.6 | 169.1 | -62 | -172.3 | -162.8 | 154.7 | 0 | 109.1 | E14 M15 T52 | E14-K59 HydrophobicContact CG-CB 4.23Å; E14-K59 HydrophobicContact CG-CD 4.34Å; E14-K59 HydrophobicContact CG-CG 4.49Å; E14-K59 WeakPolarHBondContact OE1-CD 3.41Å; E14-K59 WeakPolarHBondContact OE1-CE 3.36Å; E14-K59 IonicContact OE1-NZ 2.66Å; E14-K59 PolarHBondContact OE1-NZ 2.94Å; M15-K59 PolarHBondContact N-O 3.29Å; T52-K59 HydrophobicContact CG2-CB 4.17Å; T52-K59 HydrophobicContact CG2-CD 4.44Å |
| 60 | F | 66.6 | Low | 67.6 | Low | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 113.6 | 180 | -57 | -75 | 0 | 0 | 0 | 108.3 | M15 I17 T52 V53 Y55 V58 V62 T171 | M15-F60 HydrophobicContact CB-CD1 4.38Å; M15-F60 WeakPolarHBondContact O-CA 3.49Å; I17-F60 HydrophobicContact CD1-CB 4.31Å; I17-F60 HydrophobicContact CD1-CD1 3.02Å; I17-F60 HydrophobicContact CD1-CE1 3.45Å; I17-F60 VanDerWaalsContact CD1-CE1 3.45Å; I17-F60 HydrophobicContact CD1-CG 3.99Å; I17-F60 HydrophobicContact CG1-CD1 3.79Å; I17-F60 HydrophobicContact CG1-CE1 4.47Å; T52-F60 CarbonylContact C-O 3.56Å; T52-F60 VanDerWaalsContact CA-O 3.26Å; T52-F60 WeakPolarHBondContact CA-O 3.49Å; V53-F60 HydrophobicContact CB-CB 4.42Å; V53-F60 PolarHBondContact N-O 3.11Å; V53-F60 WeakPolarHBondContact O-CB 3.38Å; V53-F60 WeakPolarHBondContact O-CD2 2.96Å; V53-F60 PolarHBondContact O-N 2.98Å; Y55-F60 HydrophobicContact CD1-CE2 4.1Å; Y55-F60 HydrophobicContact CD1-CZ 4.23Å; Y55-F60 HydrophobicContact CG-CE2 4.29Å; V58-F60 HydrophobicContact CB-CE1 4.27Å; V58-F60 HydrophobicContact CB-CE2 3.76Å; V58-F60 HydrophobicContact CB-CZ 3.66Å; V58-F60 HydrophobicContact CG1-CD1 3.93Å; V58-F60 HydrophobicContact CG1-CD2 4.35Å; V58-F60 HydrophobicContact CG1-CE1 3.45Å; V58-F60 VanDerWaalsContact CG1-CE1 3.45Å; V58-F60 HydrophobicContact CG1-CE2 3.74Å; V58-F60 HydrophobicContact CG1-CG 4.46Å; V58-F60 HydrophobicContact CG1-CZ 3.37Å; V58-F60 WeakPolarHBondContact O-CD2 3.36Å; V58-F60 VanDerWaalsContact O-CE2 3.3Å; V58-F60 WeakPolarHBondContact O-CE2 3.35Å; F60-V62 HydrophobicContact CB-CG2 4.14Å; F60-V62 PolarHBondContact O-N 3.19Å; F60-T171 HydrophobicContact CE1-CG2 3.87Å; F60-T171 HydrophobicContact CZ-CG2 3.5Å; F60-T171 VanDerWaalsContact CZ-CG2 3.5Å |
| 61 | N | 65.2 | Low | 68.6 | Low | 47 Ų | 47 | 54.9 Ų | 54.9 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 97.6 | 168.2 | -67.3 | -39.2 | 0 | 0 | 0 | 107.6 | M15 I17 T52 W63 | M15-N61 PolarHBondContact O-N 3.36Å; I17-N61 CarbonylContact C-O 3.57Å; I17-N61 PolarHBondContact N-O 3.42Å; I17-N61 CarbonylContact O-C 3.59Å; T52-N61 PolarHBondContact OG1-OD1 2.92Å; N61-W63 PolarHBondContact O-NE1 3.37Å |
| 62 | V | 66.2 | Low | 69.4 | Low | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.7 | -179.9 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | I17 M19 L31 E51 V53 F60 | I17-V62 WeakPolarHBondContact O-CA 3.28Å; M19-V62 HydrophobicContact CB-CG1 3.51Å; M19-V62 HydrophobicContact CE-CG1 3.89Å; M19-V62 HydrophobicContact CG-CG1 4.45Å; M19-V62 HydrophobicContact SD-CG1 4.24Å; L31-V62 HydrophobicContact CD1-CB 3.73Å; L31-V62 HydrophobicContact CD1-CG1 3.82Å; L31-V62 HydrophobicContact CD1-CG2 4.1Å; E51-V62 PolarHBondContact N-O 2.96Å; E51-V62 PolarHBondContact O-N 3.41Å; V53-V62 HydrophobicContact CG2-CG2 4.3Å; F60-V62 HydrophobicContact CB-CG2 4.14Å; F60-V62 PolarHBondContact O-N 3.19Å |
| 63 | W | 65.2 | Low | 70.5 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 104.1 | 172.7 | -48.1 | 76 | 0 | 0 | 0 | 107.3 | L18 V50 N61 V65 Y78 | L18-W63 HydrophobicContact CD1-CB 3.57Å; L18-W63 HydrophobicContact CD1-CG 4.03Å; V50-W63 HydrophobicContact CB-CE3 4.07Å; V50-W63 HydrophobicContact CB-CZ3 4.14Å; V50-W63 HydrophobicContact CG1-CD2 3.88Å; V50-W63 HydrophobicContact CG1-CE3 3.81Å; V50-W63 HydrophobicContact CG1-CH2 4Å; V50-W63 HydrophobicContact CG1-CZ2 4.06Å; V50-W63 HydrophobicContact CG1-CZ3 3.89Å; V50-W63 HydrophobicContact CG2-CD2 4.09Å; V50-W63 HydrophobicContact CG2-CE3 3.2Å; V50-W63 HydrophobicContact CG2-CH2 4.01Å; V50-W63 HydrophobicContact CG2-CZ3 3.16Å; N61-W63 PolarHBondContact O-NE1 3.37Å; W63-V65 HydrophobicContact CB-CG2 4.28Å; W63-V65 PolarHBondContact O-N 2.93Å; W63-Y78 AromaticContact CD2-CD1 3.57Å; W63-Y78 HydrophobicContact CD2-CD1 3.57Å; W63-Y78 HydrophobicContact CD2-CE1 4.17Å; W63-Y78 HydrophobicContact CD2-CG 4.16Å; W63-Y78 AromaticContact CE3-CD1 2.98Å; W63-Y78 HydrophobicContact CE3-CD1 2.98Å; W63-Y78 AromaticContact CE3-CE1 3.15Å; W63-Y78 HydrophobicContact CE3-CE1 3.15Å; W63-Y78 AromaticContact CE3-CG 3.9Å; W63-Y78 HydrophobicContact CE3-CG 3.9Å; W63-Y78 HydrophobicContact CG-CD1 4.28Å; W63-Y78 HydrophobicContact CG-CG 4.42Å; W63-Y78 HydrophobicContact CH2-CD1 4.11Å; W63-Y78 HydrophobicContact CH2-CE1 4.32Å; W63-Y78 AromaticContact CZ3-CD1 3.3Å; W63-Y78 HydrophobicContact CZ3-CD1 3.3Å; W63-Y78 AromaticContact CZ3-CE1 3.24Å; W63-Y78 HydrophobicContact CZ3-CE1 3.24Å |
| 64 | D | 64.4 | Low | 71.1 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.102 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 100.7 | 171.5 | -176.1 | 17.1 | 0 | 0 | 0 | 107.8 | T28 L31 N49 | T28-D64 WeakPolarHBondContact CB-OD2 3.3Å; T28-D64 PolarHBondContact OG1-OD2 3.2Å; L31-D64 HydrophobicContact CD2-CB 3.97Å; N49-D64 HydrophobicContact CB-CB 4.43Å; N49-D64 PolarHBondContact O-N 3.5Å |
| 65 | V | 64.2 | Low | 72.1 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | trans | -102.7 | 124.4 | 176.2 | -163.9 | 0 | 0 | 0 | 0 | 108.7 | L20 K27 F48 W63 G67 W75 Y78 | L20-V65 HydrophobicContact CD2-CB 3.74Å; L20-V65 HydrophobicContact CD2-CG2 3.84Å; K27-V65 WeakPolarHBondContact CE-O 3.4Å; F48-V65 HydrophobicContact CD1-CB 4.39Å; F48-V65 HydrophobicContact CD1-CG1 3.54Å; F48-V65 HydrophobicContact CD1-CG2 4.23Å; F48-V65 HydrophobicContact CE1-CG1 3.42Å; F48-V65 VanDerWaalsContact CE1-CG1 3.42Å; W63-V65 HydrophobicContact CB-CG2 4.28Å; W63-V65 PolarHBondContact O-N 2.93Å; V65-G67 PolarHBondContact O-N 3.43Å; V65-W75 HydrophobicContact CG1-CG 4.38Å; V65-Y78 HydrophobicContact CG2-CD2 3.85Å; V65-Y78 HydrophobicContact CG2-CE2 4.05Å | ||
| 66 | G | 65.3 | Low | 73.1 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 33% | 0.33 | 28% | 0.281 | S | S | . | . | trans | -52.2 | 143.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | I71 W75 | G66-I71 VanDerWaalsContact O-CD1 3.27Å; G66-I71 WeakPolarHBondContact O-CD1 3.4Å; G66-I71 WeakPolarHBondContact O-CG1 3.38Å; G66-W75 PolarHBondContact O-NE1 3.11Å | ||
| 67 | G | 69.4 | Low | 74 | Confident | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | trans | -99 | 8.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D23 V65 R72 | D23-G67 PolarHBondContact N-O 2.87Å; D23-G67 VanDerWaalsContact N-O 3.15Å; D23-G67 VanDerWaalsContact OD1-O 3.11Å; V65-G67 PolarHBondContact O-N 3.43Å; G67-R72 VanDerWaalsContact O-CZ 3.25Å; G67-R72 PolarHBondContact O-NE 3.39Å; G67-R72 PolarHBondContact O-NH2 2.93Å | ||
| 68 | Q | 74.9 | Confident | 75.2 | Confident | 122 Ų | 122 | 55.1 Ų | 55.1 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -74.2 | 143.3 | 179.3 | -59.1 | 175.2 | 15.3 | 0 | 0 | 110.2 | D23 K70 I71 R72 | D23-Q68 HydrophobicContact CB-CG 4.03Å; Q68-K70 PolarHBondContact O-N 3.42Å; Q68-I71 HydrophobicContact CB-CD1 4.29Å; Q68-I71 HydrophobicContact CB-CG1 4.08Å; Q68-I71 WeakPolarHBondContact O-CG1 3.43Å; Q68-I71 PolarHBondContact O-N 2.98Å; Q68-R72 WeakPolarHBondContact O-CG 3.34Å; Q68-R72 PolarHBondContact O-N 2.97Å |
| 69 | D | 78.2 | Confident | 76.6 | Confident | 103 Ų | 103 | 55.3 Ų | 55.3 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -44.7 | -46.5 | -176.1 | -72.9 | -35.8 | 0 | 0 | 0 | 114.6 | I71 R72 P73 | D69-I71 PolarHBondContact O-N 2.95Å; D69-I71 VanDerWaalsContact O-N 3.13Å; D69-R72 PolarHBondContact O-N 3.28Å; D69-R72 IonicContact OD1-CZ 2.65Å; D69-R72 IonicContact OD1-NE 3.83Å; D69-R72 IonicContact OD1-NH1 2.68Å; D69-R72 PolarHBondContact OD1-NH1 2.92Å; D69-R72 IonicContact OD1-NH2 3.53Å; D69-R72 PolarHBondContact OD1-NH2 2.94Å; D69-P73 WeakPolarHBondContact O-CD 3.43Å |
| 70 | K | 79.3 | Confident | 77.9 | Confident | 191 Ų | 191 | 55.2 Ų | 55.2 | 83% | 0.83 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -63.1 | -22.6 | -174.9 | -65.7 | -176.7 | -179.9 | 177.9 | 0 | 114.1 | Q68 | Q68-K70 PolarHBondContact O-N 3.42Š|
| 71 | I | 80.5 | Confident | 78.9 | Confident | 55 Ų | 55 | 57.3 Ų | 57.3 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -109.6 | -11.2 | -174.6 | 58.7 | 172.5 | 0 | 0 | 0 | 113.5 | G66 Q68 D69 P73 L74 | G66-I71 VanDerWaalsContact O-CD1 3.27Å; G66-I71 WeakPolarHBondContact O-CD1 3.4Å; G66-I71 WeakPolarHBondContact O-CG1 3.38Å; Q68-I71 HydrophobicContact CB-CD1 4.29Å; Q68-I71 HydrophobicContact CB-CG1 4.08Å; Q68-I71 WeakPolarHBondContact O-CG1 3.43Å; Q68-I71 PolarHBondContact O-N 2.98Å; D69-I71 PolarHBondContact O-N 2.95Å; D69-I71 VanDerWaalsContact O-N 3.13Å; I71-P73 VanDerWaalsContact C-N 3.32Å; I71-L74 HydrophobicContact CB-CD1 4.29Å; I71-L74 HydrophobicContact CG2-CD1 4.47Å; I71-L74 VanDerWaalsContact O-CB 3.32Å; I71-L74 WeakPolarHBondContact O-CB 3.27Å; I71-L74 PolarHBondContact O-N 3.19Å; I71-L74 VanDerWaalsContact O-N 3.07Å |
| 72 | R | 84.9 | Confident | 80.1 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 4% | 0.038 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -55.8 | -34.1 | 175 | -61.1 | -179.7 | -169.2 | 164.9 | 0.7 | 114.6 | D23 G67 Q68 D69 L74 W75 E99 E103 | D23-R72 IonicContact OD1-NH2 3.14Å; G67-R72 VanDerWaalsContact O-CZ 3.25Å; G67-R72 PolarHBondContact O-NE 3.39Å; G67-R72 PolarHBondContact O-NH2 2.93Å; Q68-R72 WeakPolarHBondContact O-CG 3.34Å; Q68-R72 PolarHBondContact O-N 2.97Å; D69-R72 PolarHBondContact O-N 3.28Å; D69-R72 IonicContact OD1-CZ 2.65Å; D69-R72 IonicContact OD1-NE 3.83Å; D69-R72 IonicContact OD1-NH1 2.68Å; D69-R72 PolarHBondContact OD1-NH1 2.92Å; D69-R72 IonicContact OD1-NH2 3.53Å; D69-R72 PolarHBondContact OD1-NH2 2.94Å; R72-L74 PolarHBondContact O-N 2.76Å; R72-W75 HydrophobicContact CB-CD2 4.21Å; R72-W75 HydrophobicContact CB-CE3 4.39Å; R72-W75 HydrophobicContact CB-CZ2 4.38Å; R72-W75 HydrophobicContact CG-CD2 4.44Å; R72-W75 HydrophobicContact CG-CH2 3.94Å; R72-W75 HydrophobicContact CG-CZ2 3.73Å; R72-W75 HydrophobicContact CG-CZ3 4.35Å; R72-W75 VanDerWaalsContact O-CB 3.27Å; R72-W75 WeakPolarHBondContact O-CB 3.34Å; R72-W75 PolarHBondContact O-N 3.03Å; R72-E99 IonicContact CZ-OE1 3.84Å; R72-E99 IonicContact NH1-OE1 2.86Å; R72-E99 PolarHBondContact NH1-OE1 3.37Å; R72-E99 IonicContact NH2-OE1 3.09Å; R72-E99 PolarHBondContact NH2-OE1 3.19Å; R72-E103 IonicContact NH1-OE1 3.08Å |
| 73 | P | 88.4 | Confident | 81.3 | Confident | 65 Ų | 65 | 57.9 Ų | 57.9 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -55.4 | -25.1 | 175.6 | -29.9 | 37.6 | 0 | 0 | 0 | 114.1 | D69 I71 W75 R76 | D69-P73 WeakPolarHBondContact O-CD 3.43Å; I71-P73 VanDerWaalsContact C-N 3.32Å; P73-W75 VanDerWaalsContact C-N 3.31Å; P73-R76 WeakPolarHBondContact O-CG 3.35Å; P73-R76 PolarHBondContact O-NE 3.11Å |
| 74 | L | 84.9 | Confident | 82.7 | Confident | 60 Ų | 60 | 55.7 Ų | 55.7 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -80.3 | -13.5 | -176.7 | -56.3 | 161.4 | 0 | 0 | 0 | 112.5 | F48 I71 R72 R76 H77 | F48-L74 HydrophobicContact CE1-CB 3.7Å; F48-L74 HydrophobicContact CE1-CD1 4.27Å; F48-L74 HydrophobicContact CE2-CB 4.46Å; F48-L74 HydrophobicContact CE2-CD1 4.35Å; F48-L74 HydrophobicContact CZ-CB 3.35Å; F48-L74 HydrophobicContact CZ-CD1 3.47Å; F48-L74 VanDerWaalsContact CZ-CD1 3.47Å; F48-L74 HydrophobicContact CZ-CD2 4.38Å; F48-L74 HydrophobicContact CZ-CG 3.85Å; I71-L74 HydrophobicContact CB-CD1 4.29Å; I71-L74 HydrophobicContact CG2-CD1 4.47Å; I71-L74 VanDerWaalsContact O-CB 3.32Å; I71-L74 WeakPolarHBondContact O-CB 3.27Å; I71-L74 PolarHBondContact O-N 3.19Å; I71-L74 VanDerWaalsContact O-N 3.07Å; R72-L74 PolarHBondContact O-N 2.76Å; L74-R76 PolarHBondContact O-N 3.13Å; L74-H77 WeakPolarHBondContact O-CB 3.41Å; L74-H77 PolarHBondContact O-CD2 2.87Å; L74-H77 PolarHBondContact O-N 2.78Å; L74-H77 VanDerWaalsContact O-N 3.16Å |
| 75 | W | 89.8 | Confident | 84.1 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -55.3 | -36.4 | 177.2 | -67.3 | 1.7 | 0 | 0 | 0 | 112.4 | L20 G21 V65 G66 R72 P73 H77 Y78 Y79 E103 I107 | L20-W75 HydrophobicContact CB-CZ3 4.5Å; L20-W75 HydrophobicContact CD1-CB 4.14Å; L20-W75 HydrophobicContact CD1-CD2 3.99Å; L20-W75 HydrophobicContact CD1-CE3 3.97Å; L20-W75 HydrophobicContact CD1-CG 4.13Å; L20-W75 HydrophobicContact CD2-CB 4.38Å; L20-W75 HydrophobicContact CD2-CD2 3.79Å; L20-W75 HydrophobicContact CD2-CE3 4.46Å; L20-W75 HydrophobicContact CD2-CG 3.77Å; L20-W75 HydrophobicContact CD2-CZ2 4.4Å; L20-W75 HydrophobicContact CG-CD2 4.34Å; G21-W75 WeakPolarHBondContact O-CZ2 3.26Å; V65-W75 HydrophobicContact CG1-CG 4.38Å; G66-W75 PolarHBondContact O-NE1 3.11Å; R72-W75 HydrophobicContact CB-CD2 4.21Å; R72-W75 HydrophobicContact CB-CE3 4.39Å; R72-W75 HydrophobicContact CB-CZ2 4.38Å; R72-W75 HydrophobicContact CG-CD2 4.44Å; R72-W75 HydrophobicContact CG-CH2 3.94Å; R72-W75 HydrophobicContact CG-CZ2 3.73Å; R72-W75 HydrophobicContact CG-CZ3 4.35Å; R72-W75 VanDerWaalsContact O-CB 3.27Å; R72-W75 WeakPolarHBondContact O-CB 3.34Å; R72-W75 PolarHBondContact O-N 3.03Å; P73-W75 VanDerWaalsContact C-N 3.31Å; W75-H77 PolarHBondContact O-N 2.94Å; W75-H77 VanDerWaalsContact O-N 3.13Å; W75-Y78 PolarHBondContact O-N 2.91Å; W75-Y79 HydrophobicContact CB-CE1 4.09Å; W75-Y79 WeakPolarHBondContact O-CD1 3.3Å; W75-Y79 VanDerWaalsContact O-CE1 3.28Å; W75-Y79 WeakPolarHBondContact O-CE1 3.32Å; W75-E103 HydrophobicContact CZ3-CB 4.07Å; W75-E103 HydrophobicContact CZ3-CG 4.32Å; W75-I107 HydrophobicContact CE3-CD1 3.79Å; W75-I107 HydrophobicContact CE3-CG1 4.02Å; W75-I107 HydrophobicContact CZ3-CD1 3.71Å; W75-I107 HydrophobicContact CZ3-CG1 4.33Å |
| 76 | R | 90.3 | Very high | 85.6 | Confident | 147 Ų | 147 | 54.9 Ų | 54.9 | 56% | 0.555 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -59.1 | -26.1 | -178.3 | 78.6 | -175.9 | 82.4 | -174.4 | 1.6 | 114 | P73 L74 Y78 Y79 | P73-R76 WeakPolarHBondContact O-CG 3.35Å; P73-R76 PolarHBondContact O-NE 3.11Å; L74-R76 PolarHBondContact O-N 3.13Å; R76-Y78 PolarHBondContact O-N 3.11Å; R76-Y78 VanDerWaalsContact O-N 3.16Å; R76-Y79 HydrophobicContact CB-CD2 4.08Å; R76-Y79 HydrophobicContact CB-CE2 3.83Å; R76-Y79 PolarHBondContact O-N 2.81Å |
| 77 | H | 87.9 | Confident | 87.2 | Confident | 124 Ų | 124 | 53.3 Ų | 53.3 | 57% | 0.574 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -67.8 | -12.3 | 178.4 | -61.4 | -48.1 | 0 | 0 | 0 | 112.9 | L74 W75 | L74-H77 WeakPolarHBondContact O-CB 3.41Å; L74-H77 PolarHBondContact O-CD2 2.87Å; L74-H77 PolarHBondContact O-N 2.78Å; L74-H77 VanDerWaalsContact O-N 3.16Å; W75-H77 PolarHBondContact O-N 2.94Å; W75-H77 VanDerWaalsContact O-N 3.13Å |
| 78 | Y | 86.8 | Confident | 88.5 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 13% | 0.129 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -106.3 | -5.9 | -177.6 | -58.5 | -65.8 | 0 | 0 | 0 | 113.9 | R16 F48 W63 V65 W75 R76 T82 | R16-Y78 PolarHBondContact NH2-O 2.79Å; R16-Y78 VanDerWaalsContact NH2-O 3.08Å; F48-Y78 HydrophobicContact CB-CE2 4.41Å; F48-Y78 WeakPolarHBondContact CB-OH 3.43Å; F48-Y78 AromaticContact CD1-CE2 3.59Å; F48-Y78 HydrophobicContact CD1-CE2 3.59Å; F48-Y78 AromaticContact CD1-CZ 3.91Å; F48-Y78 HydrophobicContact CD2-CE2 4.49Å; F48-Y78 WeakPolarHBondContact CD2-OH 3.48Å; F48-Y78 AromaticContact CE1-CE2 3.9Å; F48-Y78 HydrophobicContact CE1-CE2 3.9Å; F48-Y78 AromaticContact CG-CE2 3.93Å; F48-Y78 HydrophobicContact CG-CE2 3.93Å; F48-Y78 AromaticContact CG-CZ 3.74Å; F48-Y78 WeakPolarHBondContact CG-OH 3.36Å; F48-Y78 HydrophobicContact CZ-CE2 4.47Å; W63-Y78 AromaticContact CD2-CD1 3.57Å; W63-Y78 HydrophobicContact CD2-CD1 3.57Å; W63-Y78 HydrophobicContact CD2-CE1 4.17Å; W63-Y78 HydrophobicContact CD2-CG 4.16Å; W63-Y78 AromaticContact CE3-CD1 2.98Å; W63-Y78 HydrophobicContact CE3-CD1 2.98Å; W63-Y78 AromaticContact CE3-CE1 3.15Å; W63-Y78 HydrophobicContact CE3-CE1 3.15Å; W63-Y78 AromaticContact CE3-CG 3.9Å; W63-Y78 HydrophobicContact CE3-CG 3.9Å; W63-Y78 HydrophobicContact CG-CD1 4.28Å; W63-Y78 HydrophobicContact CG-CG 4.42Å; W63-Y78 HydrophobicContact CH2-CD1 4.11Å; W63-Y78 HydrophobicContact CH2-CE1 4.32Å; W63-Y78 AromaticContact CZ3-CD1 3.3Å; W63-Y78 HydrophobicContact CZ3-CD1 3.3Å; W63-Y78 AromaticContact CZ3-CE1 3.24Å; W63-Y78 HydrophobicContact CZ3-CE1 3.24Å; V65-Y78 HydrophobicContact CG2-CD2 3.85Å; V65-Y78 HydrophobicContact CG2-CE2 4.05Å; W75-Y78 PolarHBondContact O-N 2.91Å; R76-Y78 PolarHBondContact O-N 3.11Å; R76-Y78 VanDerWaalsContact O-N 3.16Å; Y78-T82 PolarHBondContact O-OG1 2.89Å |
| 79 | Y | 91.9 | Very high | 89.6 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | trans | -66.7 | -45.3 | -174.1 | -63.6 | -11.3 | 0 | 0 | 0 | 112.6 | L18 L20 W75 R76 G81 T82 I107 D110 M113 | L18-Y79 HydrophobicContact CD2-CD1 3.48Å; L18-Y79 VanDerWaalsContact CD2-CD1 3.48Å; L18-Y79 HydrophobicContact CD2-CE1 3.83Å; L20-Y79 HydrophobicContact CD1-CE1 4.16Å; W75-Y79 HydrophobicContact CB-CE1 4.09Å; W75-Y79 WeakPolarHBondContact O-CD1 3.3Å; W75-Y79 VanDerWaalsContact O-CE1 3.28Å; W75-Y79 WeakPolarHBondContact O-CE1 3.32Å; R76-Y79 HydrophobicContact CB-CD2 4.08Å; R76-Y79 HydrophobicContact CB-CE2 3.83Å; R76-Y79 PolarHBondContact O-N 2.81Å; Y79-G81 PolarHBondContact O-N 3.35Å; Y79-G81 VanDerWaalsContact O-N 3.13Å; Y79-T82 WeakPolarHBondContact O-CB 3.37Å; Y79-T82 PolarHBondContact O-N 2.81Å; Y79-T82 PolarHBondContact O-OG1 3.46Å; Y79-T82 VanDerWaalsContact O-OG1 3.11Å; Y79-I107 HydrophobicContact CE1-CG2 4.01Å; Y79-I107 WeakPolarHBondContact OH-CG1 3.05Å; Y79-D110 HydrophobicContact CD2-CB 3.68Å; Y79-D110 HydrophobicContact CE2-CB 3.68Å; Y79-M113 HydrophobicContact CD1-CG 3.92Å; Y79-M113 HydrophobicContact CD1-SD 3.72Å; Y79-M113 HydrophobicContact CD2-CG 3.88Å; Y79-M113 HydrophobicContact CE1-CG 4.44Å; Y79-M113 HydrophobicContact CE1-SD 4.5Å; Y79-M113 HydrophobicContact CE2-CG 4.39Å; Y79-M113 HydrophobicContact CG-CG 3.63Å; Y79-M113 HydrophobicContact CG-SD 3.81Å | ||
| 80 | T | 90.8 | Very high | 90.6 | Very high | 80 Ų | 80 | 43.7 Ų | 43.7 | 49% | 0.491 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 120 | -176.5 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | R16 T82 E112 | R16-T80 PolarHBondContact NH1-O 2.82Å; R16-T80 PolarHBondContact NH2-O 2.92Å; R16-T80 VanDerWaalsContact NH2-O 3.11Å; T80-T82 VanDerWaalsContact C-N 3.31Å; T80-E112 WeakPolarHBondContact CA-OE2 3.46Å; T80-E112 WeakPolarHBondContact CB-OE2 3.38Å; T80-E112 PolarHBondContact OG1-OE2 2.86Å |
| 81 | G | 88.9 | Confident | 91.5 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 49% | 0.485 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | R16 Y79 Q83 | R16-G81 WeakPolarHBondContact CB-O 3.15Å; R16-G81 WeakPolarHBondContact CD-O 3.29Å; Y79-G81 PolarHBondContact O-N 3.35Å; Y79-G81 VanDerWaalsContact O-N 3.13Å; G81-Q83 PolarHBondContact O-N 3.46Å |
| 82 | T | 90.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 6% | 0.055 | 18% | 0.183 | C | C | . | . | trans | -69.4 | 124.7 | 171.6 | -68.3 | 0 | 0 | 0 | 0 | 110.3 | L18 Y78 Y79 T80 G84 M113 A116 | L18-T82 HydrophobicContact CB-CG2 3.61Å; Y78-T82 PolarHBondContact O-OG1 2.89Å; Y79-T82 WeakPolarHBondContact O-CB 3.37Å; Y79-T82 PolarHBondContact O-N 2.81Å; Y79-T82 PolarHBondContact O-OG1 3.46Å; Y79-T82 VanDerWaalsContact O-OG1 3.11Å; T80-T82 VanDerWaalsContact C-N 3.31Å; T82-G84 WeakPolarHBondContact CG2-O 3.32Å; T82-M113 HydrophobicContact CG2-CE 3.82Å; T82-M113 HydrophobicContact CG2-SD 3.95Å; T82-A116 HydrophobicContact CG2-CB 4.48Å | ||
| 83 | Q | 91.8 | Very high | 92.9 | Very high | 54 Ų | 54 | 35 Ų | 35 | 25% | 0.252 | 19% | 0.19 | S | C | . | . | trans | -98.9 | -22.3 | -178.5 | -71.1 | 160.6 | -55.4 | 0 | 0 | 112.4 | R16 G81 A116 I117 Y174 | R16-Q83 PolarHBondContact O-N 3.14Å; G81-Q83 PolarHBondContact O-N 3.46Å; Q83-A116 WeakPolarHBondContact O-CA 3.46Å; Q83-I117 PolarHBondContact O-N 2.78Å; Q83-Y174 HydrophobicContact CB-CD2 4.33Å; Q83-Y174 HydrophobicContact CB-CE2 3.69Å; Q83-Y174 HydrophobicContact CG-CE2 4Å; Q83-Y174 PolarHBondContact NE2-OH 3.32Å | ||
| 84 | G | 93.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 141.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R16 I17 L18 T82 I117 | R16-G84 PolarHBondContact O-N 2.94Å; I17-G84 CarbonylContact C-O 3.55Å; I17-G84 VanDerWaalsContact CA-O 3.3Å; I17-G84 WeakPolarHBondContact CA-O 3.38Å; L18-G84 PolarHBondContact N-O 3.3Å; T82-G84 WeakPolarHBondContact CG2-O 3.32Å; G84-I117 CarbonylContact C-O 3.51Å; G84-I117 VanDerWaalsContact CA-O 3.32Å; G84-I117 WeakPolarHBondContact CA-O 3.41Å |
| 85 | L | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124 | 171.3 | 175.9 | 64.1 | 0 | 0 | 0 | 108.7 | L18 L20 F87 L104 I107 I108 M113 I117 L119 | L18-L85 HydrophobicContact CB-CD1 4.46Å; L18-L85 HydrophobicContact CG-CD1 4.47Å; L18-L85 CarbonylContact O-C 3.53Å; L18-L85 WeakPolarHBondContact O-CA 3.44Å; L20-L85 HydrophobicContact CB-CD1 4.25Å; L20-L85 HydrophobicContact CD1-CD1 4.18Å; L20-L85 HydrophobicContact CG-CD1 4.34Å; L85-F87 HydrophobicContact CD2-CB 4.49Å; L85-F87 HydrophobicContact CG-CB 4.39Å; L85-L104 HydrophobicContact CD2-CD1 4Å; L85-I107 HydrophobicContact CD1-CG2 4.29Å; L85-I107 HydrophobicContact CD2-CG2 3.81Å; L85-I108 HydrophobicContact CD2-CG2 3.89Å; L85-M113 HydrophobicContact CB-CE 3.89Å; L85-M113 HydrophobicContact CD1-CE 4.27Å; L85-M113 HydrophobicContact CD2-CE 4.35Å; L85-M113 HydrophobicContact CG-CE 4.4Å; L85-I117 PolarHBondContact N-O 3.06Å; L85-L119 PolarHBondContact O-N 3.4Å |
| 86 | I | 96 | Very high | 94.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 113.2 | 160.6 | -61.1 | 179.3 | 0 | 0 | 0 | 107.1 | I17 L18 M19 L20 V88 L119 F121 L167 L170 | I17-I86 HydrophobicContact CD1-CD1 4.3Å; I17-I86 HydrophobicContact CG2-CB 4.35Å; I17-I86 HydrophobicContact CG2-CD1 3.71Å; I17-I86 HydrophobicContact CG2-CG1 3.66Å; L18-I86 PolarHBondContact O-N 3.25Å; M19-I86 CarbonylContact C-O 3.58Å; M19-I86 VanDerWaalsContact CA-O 3.26Å; M19-I86 WeakPolarHBondContact CA-O 3.3Å; M19-I86 HydrophobicContact CB-CB 4.33Å; M19-I86 HydrophobicContact CE-CD1 4.22Å; M19-I86 HydrophobicContact CE-CG2 4.29Å; M19-I86 HydrophobicContact CG-CB 4.19Å; M19-I86 HydrophobicContact CG-CG2 4.09Å; L20-I86 PolarHBondContact N-O 2.89Å; I86-V88 HydrophobicContact CG2-CG2 4.11Å; I86-L119 CarbonylContact C-O 3.49Å; I86-L119 VanDerWaalsContact CA-O 3.29Å; I86-L119 WeakPolarHBondContact CA-O 3.45Å; I86-L119 HydrophobicContact CD1-CD2 4.37Å; I86-L119 HydrophobicContact CG1-CB 4.36Å; I86-L119 HydrophobicContact CG1-CD2 4.16Å; I86-F121 HydrophobicContact CD1-CE2 4.32Å; I86-F121 HydrophobicContact CG2-CD2 3.37Å; I86-F121 HydrophobicContact CG2-CE2 3.71Å; I86-F121 HydrophobicContact CG2-CG 4.4Å; I86-L167 HydrophobicContact CD1-CD2 3.89Å; I86-L170 HydrophobicContact CD1-CD2 4.39Å; I86-L170 HydrophobicContact CG1-CD2 4.32Å |
| 87 | F | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116.5 | 174.8 | -165.2 | -98.5 | 0 | 0 | 0 | 109.6 | L20 L85 V89 A100 E103 L104 I107 L119 I120 F121 | L20-F87 HydrophobicContact CB-CD2 4.28Å; L20-F87 CarbonylContact O-C 3.52Å; L20-F87 WeakPolarHBondContact O-CA 3.21Å; L85-F87 HydrophobicContact CD2-CB 4.49Å; L85-F87 HydrophobicContact CG-CB 4.39Å; F87-V89 HydrophobicContact CD1-CG2 3.73Å; F87-V89 HydrophobicContact CE1-CG2 3.83Å; F87-A100 HydrophobicContact CE1-CB 4.22Å; F87-A100 HydrophobicContact CZ-CB 4.48Å; F87-A100 VanDerWaalsContact CZ-O 3.3Å; F87-A100 WeakPolarHBondContact CZ-O 3.35Å; F87-E103 HydrophobicContact CE2-CB 4.49Å; F87-E103 HydrophobicContact CZ-CB 4.3Å; F87-L104 HydrophobicContact CB-CD1 4.08Å; F87-L104 HydrophobicContact CD1-CB 4.29Å; F87-L104 HydrophobicContact CD1-CD1 4.23Å; F87-L104 HydrophobicContact CD2-CB 4.49Å; F87-L104 HydrophobicContact CD2-CD1 4.11Å; F87-L104 HydrophobicContact CE1-CB 3.98Å; F87-L104 HydrophobicContact CE2-CB 4.2Å; F87-L104 HydrophobicContact CG-CD1 3.89Å; F87-L104 HydrophobicContact CZ-CB 3.94Å; F87-I107 HydrophobicContact CD2-CD1 3.96Å; F87-I107 HydrophobicContact CE2-CD1 3.74Å; F87-L119 PolarHBondContact N-O 3.29Å; F87-I120 HydrophobicContact CB-CD1 3.72Å; F87-I120 HydrophobicContact CD1-CD1 4.36Å; F87-I120 HydrophobicContact CG-CD1 4.46Å; F87-I120 CarbonylContact O-C 3.59Å; F87-I120 VanDerWaalsContact O-CA 3.31Å; F87-I120 WeakPolarHBondContact O-CA 3.4Å; F87-F121 PolarHBondContact O-N 3.38Å |
| 88 | V | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.4 | -175.5 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | M19 L20 A25 K27 I30 I86 F121 N123 | M19-V88 HydrophobicContact CG-CG2 3.88Å; M19-V88 HydrophobicContact SD-CG2 4.13Å; L20-V88 PolarHBondContact O-N 3.42Å; A25-V88 HydrophobicContact CB-CB 4.33Å; A25-V88 HydrophobicContact CB-CG1 4.1Å; A25-V88 WeakPolarHBondContact CB-O 3.47Å; A25-V88 VanDerWaalsContact O-CG1 3.3Å; A25-V88 WeakPolarHBondContact O-CG1 3.41Å; K27-V88 HydrophobicContact CG-CB 3.88Å; K27-V88 HydrophobicContact CG-CG2 3.81Å; I30-V88 HydrophobicContact CD1-CG1 3.72Å; I30-V88 HydrophobicContact CD1-CG2 3.96Å; I86-V88 HydrophobicContact CG2-CG2 4.11Å; V88-F121 HydrophobicContact CG1-CB 4.38Å; V88-F121 HydrophobicContact CG2-CB 4.42Å; V88-F121 HydrophobicContact CG2-CD2 4.48Å; V88-N123 HydrophobicContact CG1-CB 3.84Å |
| 89 | V | 98.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.7 | 179.8 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | F87 C91 I97 I120 F121 N123 I136 L140 | F87-V89 HydrophobicContact CD1-CG2 3.73Å; F87-V89 HydrophobicContact CE1-CG2 3.83Å; V89-C91 PolarHBondContact O-N 3.11Å; V89-I97 HydrophobicContact CG1-CD1 3.78Å; V89-I120 HydrophobicContact CG2-CG2 4.04Å; V89-F121 PolarHBondContact N-O 3.33Å; V89-N123 WeakPolarHBondContact O-CA 3.45Å; V89-N123 WeakPolarHBondContact O-CB 3.44Å; V89-N123 PolarHBondContact O-N 3.45Å; V89-I136 HydrophobicContact CG1-CD1 3.99Å; V89-L140 HydrophobicContact CG2-CD1 4.12Å |
| 90 | D | 97.8 | Very high | 95.9 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 11% | 0.107 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 110 | 165.5 | -172 | -14.8 | 0 | 0 | 0 | 109.1 | A92 D93 K124 | D90-A92 VanDerWaalsContact C-N 3.28Å; D90-A92 PolarHBondContact O-N 2.97Å; D90-A92 WeakPolarHBondContact OD1-CB 3.49Å; D90-A92 PolarHBondContact OD1-N 3.24Å; D90-D93 HydrophobicContact CB-CB 3.8Å; D90-D93 PolarHBondContact O-N 2.86Å; D90-D93 PolarHBondContact OD1-N 3.46Å; D90-K124 VanDerWaalsContact OD1-CD 3.32Å; D90-K124 WeakPolarHBondContact OD1-CD 3.47Å; D90-K124 IonicContact OD1-NZ 3.93Å; D90-K124 VanDerWaalsContact OD2-CE 3.26Å; D90-K124 WeakPolarHBondContact OD2-CE 3.04Å; D90-K124 IonicContact OD2-NZ 3.59Å; D90-K124 PolarHBondContact OD2-NZ 2.79Å |
| 91 | C | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -77.1 | -16.1 | -178.2 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | V89 A122 N123 Q125 A130 M131 | V89-C91 PolarHBondContact O-N 3.11Å; C91-A122 WeakPolarHBondContact SG-CA 3.38Å; C91-A122 VanDerWaalsContact SG-CB 3.55Å; C91-N123 WeakPolarHBondContact CB-O 3.4Å; C91-N123 PolarHBondContact N-O 2.95Å; C91-N123 PolarHBondContact SG-N 3.03Å; C91-N123 PolarHBondContact SG-O 3.37Å; C91-Q125 VanDerWaalsContact CB-NE2 3.3Å; C91-Q125 PolarHBondContact SG-NE2 2.9Å; C91-A130 HydrophobicContact CB-CB 3.99Å; C91-A130 CarbonylContact O-C 3.5Å; C91-A130 WeakPolarHBondContact O-CA 2.91Å; C91-M131 HydrophobicContact CB-CB 4.27Å; C91-M131 WeakPolarHBondContact CB-O 3.22Å; C91-M131 WeakPolarHBondContact O-CE 3.2Å; C91-M131 WeakPolarHBondContact O-CG 3.5Å; C91-M131 PolarHBondContact O-N 3.44Å |
| 92 | A | 97.5 | Very high | 96.7 | Very high | 39 Ų | 39 | 39 Ų | 39 | 32% | 0.322 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -82.3 | -18.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | D90 R94 L127 | D90-A92 VanDerWaalsContact C-N 3.28Å; D90-A92 PolarHBondContact O-N 2.97Å; D90-A92 WeakPolarHBondContact OD1-CB 3.49Å; D90-A92 PolarHBondContact OD1-N 3.24Å; A92-R94 PolarHBondContact O-N 3.28Å; A92-R94 VanDerWaalsContact O-N 3.14Å; A92-L127 HydrophobicContact CB-CB 4.05Å; A92-L127 HydrophobicContact CB-CD1 3.63Å; A92-L127 HydrophobicContact CB-CG 4.49Å |
| 93 | D | 97.2 | Very high | 97 | Very high | 33 Ų | 33 | 39.1 Ų | 39.1 | 18% | 0.176 | 19% | 0.189 | C | C | . | . | trans | -88.6 | 78.6 | -179.4 | -161.7 | -31.1 | 0 | 0 | 0 | 111.7 | D90 D95 R96 | D90-D93 HydrophobicContact CB-CB 3.8Å; D90-D93 PolarHBondContact O-N 2.86Å; D90-D93 PolarHBondContact OD1-N 3.46Å; D93-D95 VanDerWaalsContact C-N 3.28Å; D93-D95 PolarHBondContact O-N 3.21Å; D93-R96 WeakPolarHBondContact OD1-CB 3.44Å; D93-R96 PolarHBondContact OD1-N 3.39Å; D93-R96 VanDerWaalsContact OD1-N 3.07Å; D93-R96 IonicContact OD1-NE 3.79Å; D93-R96 IonicContact OD2-CZ 2.93Å; D93-R96 IonicContact OD2-NE 2.7Å; D93-R96 PolarHBondContact OD2-NE 2.6Å; D93-R96 IonicContact OD2-NH2 3.39Å; D93-R96 PolarHBondContact OD2-NH2 3.42Å | ||
| 94 | R | 97.4 | Very high | 97.3 | Very high | 99 Ų | 99 | 36.6 Ų | 36.6 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | trans | -68.8 | -27.2 | 179.9 | -69.3 | 175.2 | 169.9 | -81.4 | -8.9 | 112.7 | A92 I97 D129 M131 E135 | A92-R94 PolarHBondContact O-N 3.28Å; A92-R94 VanDerWaalsContact O-N 3.14Å; R94-I97 WeakPolarHBondContact O-CG2 3.27Å; R94-D129 PolarHBondContact NE-O 3.42Å; R94-D129 PolarHBondContact NH2-O 3.35Å; R94-M131 HydrophobicContact CG-CE 4.13Å; R94-M131 HydrophobicContact CG-CG 3.94Å; R94-M131 HydrophobicContact CG-SD 4.03Å; R94-E135 IonicContact CZ-OE1 2.69Å; R94-E135 IonicContact CZ-OE2 3.77Å; R94-E135 IonicContact NH1-OE1 2.6Å; R94-E135 PolarHBondContact NH1-OE1 3.28Å; R94-E135 IonicContact NH1-OE2 2.77Å; R94-E135 IonicContact NH2-OE1 3.74Å; R94-E135 IonicContact NH2-OE2 3.56Å; R94-E135 PolarHBondContact NH2-OE2 2.94Å; R94-E135 VanDerWaalsContact NH2-OE2 3.14Å | ||
| 95 | D | 97.5 | Very high | 97.5 | Very high | 156 Ų | 156 | 38.8 Ų | 38.8 | 83% | 0.834 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -33.7 | -175.8 | -65.3 | -26.3 | 0 | 0 | 0 | 112.1 | D93 | D93-D95 VanDerWaalsContact C-N 3.28Å; D93-D95 PolarHBondContact O-N 3.21Å |
| 96 | R | 96.8 | Very high | 97.6 | Very high | 63 Ų | 63 | 45.4 Ų | 45.4 | 24% | 0.238 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 10.6 | -178.4 | -62.6 | -169.3 | -68.7 | 167.3 | 1 | 114.6 | L22 D23 D93 D98 E99 A100 | L22-R96 HydrophobicContact CD1-CB 3.8Å; D23-R96 IonicContact OD1-NH1 2.63Å; D23-R96 PolarHBondContact OD1-NH1 3Å; D23-R96 IonicContact OD2-CZ 2.78Å; D23-R96 IonicContact OD2-NH1 3.29Å; D23-R96 PolarHBondContact OD2-NH1 3.02Å; D23-R96 IonicContact OD2-NH2 2.63Å; D93-R96 WeakPolarHBondContact OD1-CB 3.44Å; D93-R96 PolarHBondContact OD1-N 3.39Å; D93-R96 VanDerWaalsContact OD1-N 3.07Å; D93-R96 IonicContact OD1-NE 3.79Å; D93-R96 IonicContact OD2-CZ 2.93Å; D93-R96 IonicContact OD2-NE 2.7Å; D93-R96 PolarHBondContact OD2-NE 2.6Å; D93-R96 IonicContact OD2-NH2 3.39Å; D93-R96 PolarHBondContact OD2-NH2 3.42Å; R96-D98 VanDerWaalsContact C-N 3.3Å; R96-D98 PolarHBondContact O-N 2.84Å; R96-E99 HydrophobicContact CB-CB 4.47Å; R96-E99 WeakPolarHBondContact CD-OE2 3.28Å; R96-E99 WeakPolarHBondContact O-CB 3.42Å; R96-E99 PolarHBondContact O-N 3.36Å; R96-A100 PolarHBondContact O-N 2.77Å |
| 97 | I | 98 | Very high | 97.5 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -33.9 | -179.3 | -167.5 | 55.6 | 0 | 0 | 0 | 113.1 | V89 R94 A100 R101 M131 I136 K139 L140 | V89-I97 HydrophobicContact CG1-CD1 3.78Å; R94-I97 WeakPolarHBondContact O-CG2 3.27Å; I97-A100 HydrophobicContact CD1-CB 4.46Å; I97-A100 PolarHBondContact O-N 3.01Å; I97-R101 PolarHBondContact O-N 3.16Å; I97-M131 HydrophobicContact CB-CE 4.1Å; I97-M131 HydrophobicContact CB-SD 4.37Å; I97-M131 HydrophobicContact CD1-CE 4.04Å; I97-M131 HydrophobicContact CG1-CE 4.09Å; I97-M131 HydrophobicContact CG1-SD 4.14Å; I97-I136 HydrophobicContact CD1-CD1 4.03Å; I97-K139 HydrophobicContact CB-CD 4.44Å; I97-K139 HydrophobicContact CG1-CB 3.7Å; I97-K139 HydrophobicContact CG1-CD 3.8Å; I97-K139 HydrophobicContact CG1-CG 4.38Å; I97-K139 HydrophobicContact CG2-CD 3.98Å; I97-L140 HydrophobicContact CD1-CD2 3.92Å; I97-L140 HydrophobicContact CD1-CG 4.46Å |
| 98 | D | 98.1 | Very high | 97.5 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.2 | -34.9 | 176 | -91 | -49.9 | 0 | 0 | 0 | 112.5 | R96 R101 Q102 | R96-D98 VanDerWaalsContact C-N 3.3Å; R96-D98 PolarHBondContact O-N 2.84Å; D98-R101 WeakPolarHBondContact O-CB 3.47Å; D98-R101 PolarHBondContact O-N 2.7Å; D98-R101 IonicContact OD1-CZ 3.46Å; D98-R101 IonicContact OD1-NE 3.29Å; D98-R101 PolarHBondContact OD1-NE 3.14Å; D98-R101 IonicContact OD1-NH2 2.8Å; D98-R101 PolarHBondContact OD1-NH2 2.82Å; D98-Q102 VanDerWaalsContact O-CG 3.3Å; D98-Q102 WeakPolarHBondContact O-CG 3.35Å; D98-Q102 PolarHBondContact O-N 3.23Å |
| 99 | E | 97.5 | Very high | 97.4 | Very high | 48 Ų | 48 | 51.2 Ų | 51.2 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -45.9 | 172.2 | -172.9 | -169.5 | 152 | 0 | 0 | 110.3 | L22 R72 R96 R101 Q102 E103 | L22-E99 HydrophobicContact CD1-CB 4.2Å; L22-E99 HydrophobicContact CD1-CG 4.2Å; L22-E99 HydrophobicContact CD2-CG 4.19Å; R72-E99 IonicContact CZ-OE1 3.84Å; R72-E99 IonicContact NH1-OE1 2.86Å; R72-E99 PolarHBondContact NH1-OE1 3.37Å; R72-E99 IonicContact NH2-OE1 3.09Å; R72-E99 PolarHBondContact NH2-OE1 3.19Å; R96-E99 HydrophobicContact CB-CB 4.47Å; R96-E99 WeakPolarHBondContact CD-OE2 3.28Å; R96-E99 WeakPolarHBondContact O-CB 3.42Å; R96-E99 PolarHBondContact O-N 3.36Å; E99-R101 VanDerWaalsContact C-N 3.3Å; E99-R101 PolarHBondContact O-N 2.98Å; E99-Q102 PolarHBondContact O-N 3.25Å; E99-Q102 VanDerWaalsContact O-N 3.11Å; E99-E103 WeakPolarHBondContact O-CG 3.47Å; E99-E103 PolarHBondContact O-N 3.23Å |
| 100 | A | 97.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L22 F87 R96 I97 L104 L140 | L22-A100 HydrophobicContact CD1-CB 3.89Å; L22-A100 HydrophobicContact CG-CB 4.07Å; F87-A100 HydrophobicContact CE1-CB 4.22Å; F87-A100 HydrophobicContact CZ-CB 4.48Å; F87-A100 VanDerWaalsContact CZ-O 3.3Å; F87-A100 WeakPolarHBondContact CZ-O 3.35Å; R96-A100 PolarHBondContact O-N 2.77Å; I97-A100 HydrophobicContact CD1-CB 4.46Å; I97-A100 PolarHBondContact O-N 3.01Å; A100-L104 WeakPolarHBondContact O-CB 3.5Å; A100-L104 PolarHBondContact O-N 3.13Å; A100-L140 HydrophobicContact CB-CD2 4.43Å |
| 101 | R | 98.5 | Very high | 97.2 | Very high | 89 Ų | 89 | 62.5 Ų | 62.5 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.5 | -51 | 172.3 | 177.5 | -179.1 | 55.1 | 126.1 | -3.2 | 111 | I97 D98 E99 E103 L104 H105 K139 L140 | I97-R101 PolarHBondContact O-N 3.16Å; D98-R101 WeakPolarHBondContact O-CB 3.47Å; D98-R101 PolarHBondContact O-N 2.7Å; D98-R101 IonicContact OD1-CZ 3.46Å; D98-R101 IonicContact OD1-NE 3.29Å; D98-R101 PolarHBondContact OD1-NE 3.14Å; D98-R101 IonicContact OD1-NH2 2.8Å; D98-R101 PolarHBondContact OD1-NH2 2.82Å; E99-R101 VanDerWaalsContact C-N 3.3Å; E99-R101 PolarHBondContact O-N 2.98Å; R101-E103 VanDerWaalsContact C-N 3.3Å; R101-E103 PolarHBondContact O-N 2.91Å; R101-L104 PolarHBondContact O-N 3.16Å; R101-H105 PolarHBondContact O-CD2 2.85Å; R101-H105 PolarHBondContact O-N 2.88Å; R101-K139 VanDerWaalsContact CD-O 3.28Å; R101-K139 WeakPolarHBondContact CD-O 3.38Å; R101-L140 HydrophobicContact CB-CD2 4.09Å |
| 102 | Q | 97.9 | Very high | 97.1 | Very high | 109 Ų | 109 | 65.7 Ų | 65.7 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.4 | -43.4 | -178.5 | -72.2 | 170.8 | 43.3 | 0 | 0 | 111.8 | D98 E99 H105 R106 | D98-Q102 VanDerWaalsContact O-CG 3.3Å; D98-Q102 WeakPolarHBondContact O-CG 3.35Å; D98-Q102 PolarHBondContact O-N 3.23Å; E99-Q102 PolarHBondContact O-N 3.25Å; E99-Q102 VanDerWaalsContact O-N 3.11Å; Q102-H105 PolarHBondContact O-N 3.5Å; Q102-R106 WeakPolarHBondContact O-CB 3.31Å; Q102-R106 PolarHBondContact O-N 3.47Å |
| 103 | E | 97.1 | Very high | 97.1 | Very high | 13 Ų | 13 | 63.9 Ų | 63.9 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 176.7 | -69.9 | -47.8 | 135.1 | 0 | 0 | 112.6 | L22 R72 W75 F87 E99 R101 H105 R106 I107 | L22-E103 HydrophobicContact CD2-CB 4.42Å; L22-E103 HydrophobicContact CD2-CG 3.85Å; R72-E103 IonicContact NH1-OE1 3.08Å; W75-E103 HydrophobicContact CZ3-CB 4.07Å; W75-E103 HydrophobicContact CZ3-CG 4.32Å; F87-E103 HydrophobicContact CE2-CB 4.49Å; F87-E103 HydrophobicContact CZ-CB 4.3Å; E99-E103 WeakPolarHBondContact O-CG 3.47Å; E99-E103 PolarHBondContact O-N 3.23Å; R101-E103 VanDerWaalsContact C-N 3.3Å; R101-E103 PolarHBondContact O-N 2.91Å; E103-H105 VanDerWaalsContact C-N 3.34Å; E103-H105 PolarHBondContact O-N 3.08Å; E103-R106 WeakPolarHBondContact O-CB 3.47Å; E103-R106 PolarHBondContact O-N 2.93Å; E103-R106 IonicContact OE1-CZ 3.74Å; E103-R106 IonicContact OE1-NH1 3.33Å; E103-R106 PolarHBondContact OE1-NH1 2.94Å; E103-R106 IonicContact OE1-NH2 3.39Å; E103-R106 PolarHBondContact OE1-NH2 2.85Å; E103-R106 IonicContact OE2-CZ 3.62Å; E103-R106 IonicContact OE2-NH1 3.7Å; E103-R106 PolarHBondContact OE2-NH1 3.01Å; E103-I107 WeakPolarHBondContact O-CD1 3.24Å; E103-I107 VanDerWaalsContact O-CG1 3.27Å; E103-I107 WeakPolarHBondContact O-CG1 3.26Å; E103-I107 PolarHBondContact O-N 2.94Å |
| 104 | L | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.9 | -50.4 | 175.7 | 175 | 64.5 | 0 | 0 | 0 | 110.9 | L85 F87 A100 R101 R106 I107 I108 I120 L140 L142 | L85-L104 HydrophobicContact CD2-CD1 4Å; F87-L104 HydrophobicContact CB-CD1 4.08Å; F87-L104 HydrophobicContact CD1-CB 4.29Å; F87-L104 HydrophobicContact CD1-CD1 4.23Å; F87-L104 HydrophobicContact CD2-CB 4.49Å; F87-L104 HydrophobicContact CD2-CD1 4.11Å; F87-L104 HydrophobicContact CE1-CB 3.98Å; F87-L104 HydrophobicContact CE2-CB 4.2Å; F87-L104 HydrophobicContact CG-CD1 3.89Å; F87-L104 HydrophobicContact CZ-CB 3.94Å; A100-L104 WeakPolarHBondContact O-CB 3.5Å; A100-L104 PolarHBondContact O-N 3.13Å; R101-L104 PolarHBondContact O-N 3.16Å; L104-R106 VanDerWaalsContact C-N 3.3Å; L104-R106 PolarHBondContact O-N 3.48Å; L104-I107 PolarHBondContact O-N 2.82Å; L104-I108 HydrophobicContact CD1-CG2 3.85Å; L104-I108 HydrophobicContact CG-CG2 4.47Å; L104-I108 WeakPolarHBondContact O-CG1 3.41Å; L104-I108 WeakPolarHBondContact O-CG2 3.44Å; L104-I108 PolarHBondContact O-N 2.86Å; L104-I120 HydrophobicContact CD1-CD1 4.23Å; L104-I120 HydrophobicContact CD2-CD1 4.1Å; L104-L140 HydrophobicContact CD2-CB 4.16Å; L104-L140 HydrophobicContact CD2-CD1 4.12Å; L104-L142 HydrophobicContact CD2-CD2 3.66Å |
| 105 | H | 97.6 | Very high | 96.5 | Very high | 46 Ų | 46 | 72.4 Ų | 72.4 | 21% | 0.213 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.2 | -33.2 | -179.9 | -80.2 | -88.4 | 0 | 0 | 0 | 112.1 | R101 Q102 E103 N109 L140 | R101-H105 PolarHBondContact O-CD2 2.85Å; R101-H105 PolarHBondContact O-N 2.88Å; Q102-H105 PolarHBondContact O-N 3.5Å; E103-H105 VanDerWaalsContact C-N 3.34Å; E103-H105 PolarHBondContact O-N 3.08Å; H105-N109 VanDerWaalsContact O-CB 3.26Å; H105-N109 WeakPolarHBondContact O-CB 3.35Å; H105-N109 VanDerWaalsContact O-CG 3.26Å; H105-N109 PolarHBondContact O-N 3.34Å; H105-N109 PolarHBondContact O-ND2 3.44Å; H105-L140 PolarHBondContact NE2-O 3.16Å |
| 106 | R | 96.4 | Very high | 96.4 | Very high | 140 Ų | 140 | 65.1 Ų | 65.1 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 172.9 | -170.2 | -178.1 | -60.5 | 138.9 | 5.7 | 111.8 | Q102 E103 L104 | Q102-R106 WeakPolarHBondContact O-CB 3.31Å; Q102-R106 PolarHBondContact O-N 3.47Å; E103-R106 WeakPolarHBondContact O-CB 3.47Å; E103-R106 PolarHBondContact O-N 2.93Å; E103-R106 IonicContact OE1-CZ 3.74Å; E103-R106 IonicContact OE1-NH1 3.33Å; E103-R106 PolarHBondContact OE1-NH1 2.94Å; E103-R106 IonicContact OE1-NH2 3.39Å; E103-R106 PolarHBondContact OE1-NH2 2.85Å; E103-R106 IonicContact OE2-CZ 3.62Å; E103-R106 IonicContact OE2-NH1 3.7Å; E103-R106 PolarHBondContact OE2-NH1 3.01Å; L104-R106 VanDerWaalsContact C-N 3.3Å; L104-R106 PolarHBondContact O-N 3.48Å |
| 107 | I | 95.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.4 | -53.8 | 179.2 | -63.7 | 156.2 | 0 | 0 | 0 | 110.7 | L20 W75 Y79 L85 F87 E103 L104 N109 D110 M113 | L20-I107 HydrophobicContact CB-CD1 4.13Å; L20-I107 HydrophobicContact CD1-CD1 3.7Å; L20-I107 HydrophobicContact CD1-CG1 4.11Å; L20-I107 HydrophobicContact CD1-CG2 4.41Å; W75-I107 HydrophobicContact CE3-CD1 3.79Å; W75-I107 HydrophobicContact CE3-CG1 4.02Å; W75-I107 HydrophobicContact CZ3-CD1 3.71Å; W75-I107 HydrophobicContact CZ3-CG1 4.33Å; Y79-I107 HydrophobicContact CE1-CG2 4.01Å; Y79-I107 WeakPolarHBondContact OH-CG1 3.05Å; L85-I107 HydrophobicContact CD1-CG2 4.29Å; L85-I107 HydrophobicContact CD2-CG2 3.81Å; F87-I107 HydrophobicContact CD2-CD1 3.96Å; F87-I107 HydrophobicContact CE2-CD1 3.74Å; E103-I107 WeakPolarHBondContact O-CD1 3.24Å; E103-I107 VanDerWaalsContact O-CG1 3.27Å; E103-I107 WeakPolarHBondContact O-CG1 3.26Å; E103-I107 PolarHBondContact O-N 2.94Å; L104-I107 PolarHBondContact O-N 2.82Å; I107-N109 VanDerWaalsContact C-N 3.26Å; I107-N109 PolarHBondContact O-N 3.27Å; I107-D110 WeakPolarHBondContact O-CB 3.06Å; I107-D110 PolarHBondContact O-N 2.75Å; I107-D110 VanDerWaalsContact O-N 3.11Å; I107-M113 HydrophobicContact CG2-CE 3.86Å; I107-M113 HydrophobicContact CG2-CG 4.06Å; I107-M113 WeakPolarHBondContact O-CB 3.47Å; I107-M113 WeakPolarHBondContact O-CG 3.44Å |
| 108 | I | 96 | Very high | 96.3 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.3 | -21 | -169.8 | 68.4 | -178.8 | 0 | 0 | 0 | 113.3 | L85 L104 D110 I118 I145 R148 | L85-I108 HydrophobicContact CD2-CG2 3.89Å; L104-I108 HydrophobicContact CD1-CG2 3.85Å; L104-I108 HydrophobicContact CG-CG2 4.47Å; L104-I108 WeakPolarHBondContact O-CG1 3.41Å; L104-I108 WeakPolarHBondContact O-CG2 3.44Å; L104-I108 PolarHBondContact O-N 2.86Å; I108-D110 VanDerWaalsContact C-N 3.34Å; I108-I118 HydrophobicContact CB-CD1 4.33Å; I108-I118 HydrophobicContact CG2-CD1 3.64Å; I108-I118 HydrophobicContact CG2-CG1 4.28Å; I108-I145 HydrophobicContact CD1-CD1 3.41Å; I108-I145 VanDerWaalsContact CD1-CD1 3.41Å; I108-I145 HydrophobicContact CD1-CG1 3.86Å; I108-R148 PolarHBondContact O-NH1 2.81Å; I108-R148 PolarHBondContact O-NH2 3.46Å |
| 109 | N | 95.9 | Very high | 96.3 | Very high | 118 Ų | 118 | 58.7 Ų | 58.7 | 63% | 0.631 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -6 | 174.9 | -71.1 | -43.1 | 0 | 0 | 0 | 113 | H105 I107 | H105-N109 VanDerWaalsContact O-CB 3.26Å; H105-N109 WeakPolarHBondContact O-CB 3.35Å; H105-N109 VanDerWaalsContact O-CG 3.26Å; H105-N109 PolarHBondContact O-N 3.34Å; H105-N109 PolarHBondContact O-ND2 3.44Å; I107-N109 VanDerWaalsContact C-N 3.26Å; I107-N109 PolarHBondContact O-N 3.27Å |
| 110 | D | 97 | Very high | 96.3 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -67.5 | 137.6 | 169.5 | -165.4 | -67.6 | 0 | 0 | 0 | 110.1 | Y79 I107 I108 E112 M113 | Y79-D110 HydrophobicContact CD2-CB 3.68Å; Y79-D110 HydrophobicContact CE2-CB 3.68Å; I107-D110 WeakPolarHBondContact O-CB 3.06Å; I107-D110 PolarHBondContact O-N 2.75Å; I107-D110 VanDerWaalsContact O-N 3.11Å; I108-D110 VanDerWaalsContact C-N 3.34Å; D110-E112 PolarHBondContact O-N 3.43Å; D110-E112 WeakPolarHBondContact OD1-CB 3.3Å; D110-E112 PolarHBondContact OD1-N 3.31Å; D110-M113 HydrophobicContact CB-CG 4.34Å; D110-M113 PolarHBondContact O-N 3.36Å |
| 111 | R | 95.9 | Very high | 96.4 | Very high | 209 Ų | 209 | 56.2 Ų | 56.2 | 79% | 0.789 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -57.9 | -33.4 | -177.7 | 70.6 | -177.8 | -171.5 | -163.5 | -5.1 | 112.7 | M113 R114 | R111-M113 PolarHBondContact O-N 2.9Å; R111-R114 WeakPolarHBondContact O-CB 3.42Å; R111-R114 PolarHBondContact O-N 3.07Å |
| 112 | E | 96.3 | Very high | 96.4 | Very high | 67 Ų | 67 | 52 Ų | 52 | 31% | 0.313 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -74.8 | -15.8 | -178.2 | -59.1 | -66.9 | 134.5 | 0 | 0 | 112 | T80 D110 | T80-E112 WeakPolarHBondContact CA-OE2 3.46Å; T80-E112 WeakPolarHBondContact CB-OE2 3.38Å; T80-E112 PolarHBondContact OG1-OE2 2.86Å; D110-E112 PolarHBondContact O-N 3.43Å; D110-E112 WeakPolarHBondContact OD1-CB 3.3Å; D110-E112 PolarHBondContact OD1-N 3.31Å |
| 113 | M | 95.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -101.9 | 1.6 | -179.4 | -66.2 | -62 | -64.8 | 0 | 0 | 113.1 | L18 Y79 T82 L85 I107 D110 R111 D115 A116 R148 | L18-M113 HydrophobicContact CD2-SD 4.36Å; Y79-M113 HydrophobicContact CD1-CG 3.92Å; Y79-M113 HydrophobicContact CD1-SD 3.72Å; Y79-M113 HydrophobicContact CD2-CG 3.88Å; Y79-M113 HydrophobicContact CE1-CG 4.44Å; Y79-M113 HydrophobicContact CE1-SD 4.5Å; Y79-M113 HydrophobicContact CE2-CG 4.39Å; Y79-M113 HydrophobicContact CG-CG 3.63Å; Y79-M113 HydrophobicContact CG-SD 3.81Å; T82-M113 HydrophobicContact CG2-CE 3.82Å; T82-M113 HydrophobicContact CG2-SD 3.95Å; L85-M113 HydrophobicContact CB-CE 3.89Å; L85-M113 HydrophobicContact CD1-CE 4.27Å; L85-M113 HydrophobicContact CD2-CE 4.35Å; L85-M113 HydrophobicContact CG-CE 4.4Å; I107-M113 HydrophobicContact CG2-CE 3.86Å; I107-M113 HydrophobicContact CG2-CG 4.06Å; I107-M113 WeakPolarHBondContact O-CB 3.47Å; I107-M113 WeakPolarHBondContact O-CG 3.44Å; D110-M113 HydrophobicContact CB-CG 4.34Å; D110-M113 PolarHBondContact O-N 3.36Å; R111-M113 PolarHBondContact O-N 2.9Å; M113-D115 VanDerWaalsContact C-N 3.28Å; M113-D115 PolarHBondContact O-N 2.94Å; M113-A116 HydrophobicContact CE-CB 3.87Å; M113-A116 WeakPolarHBondContact O-CB 3.28Å; M113-A116 PolarHBondContact O-N 3.09Å; M113-A116 VanDerWaalsContact O-N 3.1Å; M113-R148 PolarHBondContact O-NH1 3.2Å |
| 114 | R | 92.6 | Very high | 96.5 | Very high | 168 Ų | 168 | 48.6 Ų | 48.6 | 63% | 0.634 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -41.9 | -171.6 | -174.3 | 178.2 | -178.9 | 174.5 | -0.5 | 113.5 | R111 R148 | R111-R114 WeakPolarHBondContact O-CB 3.42Å; R111-R114 PolarHBondContact O-N 3.07Å; R114-R148 PolarHBondContact O-NE 3Å; R114-R148 PolarHBondContact O-NH1 2.81Å |
| 115 | D | 91.4 | Very high | 96.5 | Very high | 144 Ų | 144 | 50.4 Ų | 50.4 | 77% | 0.77 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0.4 | -174.3 | -56.2 | -41 | 0 | 0 | 0 | 113 | M113 I117 | M113-D115 VanDerWaalsContact C-N 3.28Å; M113-D115 PolarHBondContact O-N 2.94Å; D115-I117 PolarHBondContact O-N 2.82Å |
| 116 | A | 94 | Very high | 96.5 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | trans | -71.7 | 126.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T82 Q83 M113 R148 | T82-A116 HydrophobicContact CG2-CB 4.48Å; Q83-A116 WeakPolarHBondContact O-CA 3.46Å; M113-A116 HydrophobicContact CE-CB 3.87Å; M113-A116 WeakPolarHBondContact O-CB 3.28Å; M113-A116 PolarHBondContact O-N 3.09Å; M113-A116 VanDerWaalsContact O-N 3.1Å; A116-R148 WeakPolarHBondContact O-CD 3.27Å | ||
| 117 | I | 95.5 | Very high | 96.5 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 145.8 | 168.8 | 58.3 | 170.5 | 0 | 0 | 0 | 110.2 | M15 Q83 G84 L85 D115 N149 L170 Y174 | M15-I117 HydrophobicContact CE-CD1 4.42Å; Q83-I117 PolarHBondContact O-N 2.78Å; G84-I117 CarbonylContact C-O 3.51Å; G84-I117 VanDerWaalsContact CA-O 3.32Å; G84-I117 WeakPolarHBondContact CA-O 3.41Å; L85-I117 PolarHBondContact N-O 3.06Å; D115-I117 PolarHBondContact O-N 2.82Å; I117-N149 HydrophobicContact CG2-CB 4.3Å; I117-L170 HydrophobicContact CD1-CD1 3.38Å; I117-L170 HydrophobicContact CD1-CG 3.76Å; I117-L170 VanDerWaalsContact CD1-O 3.22Å; I117-L170 WeakPolarHBondContact CD1-O 3.5Å; I117-L170 HydrophobicContact CG1-CD1 3.63Å; I117-L170 HydrophobicContact CG1-CG 4.43Å; I117-Y174 HydrophobicContact CD1-CD2 4.37Å |
| 118 | I | 97.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 118.7 | -171.1 | -54.3 | 166.8 | 0 | 0 | 0 | 110.6 | I108 I120 I145 R148 N149 W150 Y151 W169 | I108-I118 HydrophobicContact CB-CD1 4.33Å; I108-I118 HydrophobicContact CG2-CD1 3.64Å; I108-I118 HydrophobicContact CG2-CG1 4.28Å; I118-I120 HydrophobicContact CG2-CD1 3.59Å; I118-I120 HydrophobicContact CG2-CG1 4.3Å; I118-I145 HydrophobicContact CD1-CD1 4.29Å; I118-I145 HydrophobicContact CD1-CG2 4.37Å; I118-R148 HydrophobicContact CD1-CG 4.02Å; I118-N149 PolarHBondContact N-O 2.83Å; I118-W150 HydrophobicContact CB-CB 3.91Å; I118-W150 HydrophobicContact CG2-CB 4.44Å; I118-W150 CarbonylContact O-C 3.42Å; I118-W150 WeakPolarHBondContact O-CA 3.47Å; I118-Y151 PolarHBondContact O-N 3.49Å; I118-W169 WeakPolarHBondContact O-CH2 3.46Å; I118-W169 WeakPolarHBondContact O-CZ3 3.45Å |
| 119 | L | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.7 | 165.8 | 173.6 | 65.6 | 0 | 0 | 0 | 109 | L85 I86 F87 F121 Y151 Q153 G166 W169 L170 | L85-L119 PolarHBondContact O-N 3.4Å; I86-L119 CarbonylContact C-O 3.49Å; I86-L119 VanDerWaalsContact CA-O 3.29Å; I86-L119 WeakPolarHBondContact CA-O 3.45Å; I86-L119 HydrophobicContact CD1-CD2 4.37Å; I86-L119 HydrophobicContact CG1-CB 4.36Å; I86-L119 HydrophobicContact CG1-CD2 4.16Å; F87-L119 PolarHBondContact N-O 3.29Å; L119-F121 HydrophobicContact CD2-CE1 4.17Å; L119-F121 HydrophobicContact CD2-CE2 4.01Å; L119-F121 HydrophobicContact CD2-CZ 3.79Å; L119-Y151 HydrophobicContact CD1-CD1 3.89Å; L119-Q153 HydrophobicContact CD1-CB 3.94Å; L119-G166 WeakPolarHBondContact CD2-O 3.33Å; L119-W169 HydrophobicContact CB-CE3 4.36Å; L119-W169 HydrophobicContact CB-CZ3 4.13Å; L119-W169 HydrophobicContact CD1-CE3 4.06Å; L119-W169 HydrophobicContact CD1-CZ3 4.48Å; L119-L170 HydrophobicContact CB-CD1 3.87Å; L119-L170 HydrophobicContact CD2-CB 4.43Å |
| 120 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 118.8 | 169.7 | -49.1 | -57.8 | 0 | 0 | 0 | 108 | F87 V89 L104 I118 A122 I136 L140 L142 Y151 V152 Q153 | F87-I120 HydrophobicContact CB-CD1 3.72Å; F87-I120 HydrophobicContact CD1-CD1 4.36Å; F87-I120 HydrophobicContact CG-CD1 4.46Å; F87-I120 CarbonylContact O-C 3.59Å; F87-I120 VanDerWaalsContact O-CA 3.31Å; F87-I120 WeakPolarHBondContact O-CA 3.4Å; V89-I120 HydrophobicContact CG2-CG2 4.04Å; L104-I120 HydrophobicContact CD1-CD1 4.23Å; L104-I120 HydrophobicContact CD2-CD1 4.1Å; I118-I120 HydrophobicContact CG2-CD1 3.59Å; I118-I120 HydrophobicContact CG2-CG1 4.3Å; I120-A122 PolarHBondContact O-N 3.39Å; I120-I136 HydrophobicContact CG2-CG2 4.03Å; I120-L140 HydrophobicContact CD1-CD1 4.4Å; I120-L140 HydrophobicContact CG1-CD1 4.4Å; I120-L140 HydrophobicContact CG2-CD1 3.91Å; I120-L142 HydrophobicContact CG1-CD1 3.9Å; I120-L142 HydrophobicContact CG1-CD2 4.41Å; I120-Y151 PolarHBondContact N-O 2.88Å; I120-V152 HydrophobicContact CB-CB 4.47Å; I120-V152 HydrophobicContact CB-CG1 4.38Å; I120-V152 HydrophobicContact CB-CG2 4.14Å; I120-V152 HydrophobicContact CG1-CG2 4.29Å; I120-V152 HydrophobicContact CG2-CG1 4.41Å; I120-Q153 PolarHBondContact O-N 3.29Å |
| 121 | F | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 106.8 | 163 | -82.6 | -49.6 | 0 | 0 | 0 | 108.7 | I30 I86 F87 V88 V89 L119 N123 Q153 L163 | I30-F121 HydrophobicContact CD1-CB 4.27Å; I30-F121 HydrophobicContact CD1-CD2 3.9Å; I30-F121 HydrophobicContact CD1-CG 4.25Å; I30-F121 HydrophobicContact CG2-CE2 4.26Å; I86-F121 HydrophobicContact CD1-CE2 4.32Å; I86-F121 HydrophobicContact CG2-CD2 3.37Å; I86-F121 HydrophobicContact CG2-CE2 3.71Å; I86-F121 HydrophobicContact CG2-CG 4.4Å; F87-F121 PolarHBondContact O-N 3.38Å; V88-F121 HydrophobicContact CG1-CB 4.38Å; V88-F121 HydrophobicContact CG2-CB 4.42Å; V88-F121 HydrophobicContact CG2-CD2 4.48Å; V89-F121 PolarHBondContact N-O 3.33Å; L119-F121 HydrophobicContact CD2-CE1 4.17Å; L119-F121 HydrophobicContact CD2-CE2 4.01Å; L119-F121 HydrophobicContact CD2-CZ 3.79Å; F121-N123 PolarHBondContact O-N 2.63Å; F121-Q153 HydrophobicContact CD1-CB 4.04Å; F121-Q153 HydrophobicContact CD1-CG 4.11Å; F121-Q153 HydrophobicContact CE1-CB 4.14Å; F121-Q153 HydrophobicContact CE1-CG 3.89Å; F121-L163 HydrophobicContact CD1-CD2 4.21Å; F121-L163 HydrophobicContact CD2-CD2 4.47Å; F121-L163 HydrophobicContact CE1-CD2 3.91Å; F121-L163 HydrophobicContact CE2-CD2 4.18Å; F121-L163 HydrophobicContact CZ-CB 4.45Å; F121-L163 HydrophobicContact CZ-CD2 3.9Å |
| 122 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 81.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | C91 I120 Q125 I136 V152 Q153 S155 | C91-A122 WeakPolarHBondContact SG-CA 3.38Å; C91-A122 VanDerWaalsContact SG-CB 3.55Å; I120-A122 PolarHBondContact O-N 3.39Å; A122-Q125 VanDerWaalsContact O-CG 3.24Å; A122-Q125 WeakPolarHBondContact O-CG 3.32Å; A122-Q125 PolarHBondContact O-NE2 3.34Å; A122-I136 HydrophobicContact CB-CG1 4.14Å; A122-V152 HydrophobicContact CB-CG1 3.84Å; A122-Q153 PolarHBondContact N-O 3.13Å; A122-S155 PolarHBondContact O-N 3.47Å |
| 123 | N | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 162.1 | -167.9 | -168.1 | 39 | 0 | 0 | 0 | 113 | A25 V88 V89 C91 F121 S155 A157 | A25-N123 PolarHBondContact O-ND2 3.27Å; V88-N123 HydrophobicContact CG1-CB 3.84Å; V89-N123 WeakPolarHBondContact O-CA 3.45Å; V89-N123 WeakPolarHBondContact O-CB 3.44Å; V89-N123 PolarHBondContact O-N 3.45Å; C91-N123 WeakPolarHBondContact CB-O 3.4Å; C91-N123 PolarHBondContact N-O 2.95Å; C91-N123 PolarHBondContact SG-N 3.03Å; C91-N123 PolarHBondContact SG-O 3.37Å; F121-N123 PolarHBondContact O-N 2.63Å; N123-S155 CarbonylContact C-O 3.59Å; N123-S155 WeakPolarHBondContact CA-O 3.08Å; N123-S155 WeakPolarHBondContact CA-OG 3.27Å; N123-S155 PolarHBondContact OD1-O 2.69Å; N123-S155 PolarHBondContact OD1-OG 3.29Å; N123-A157 PolarHBondContact OD1-N 3.07Å |
| 124 | K | 98.3 | Very high | 96.6 | Very high | 48 Ų | 48 | 51.2 Ų | 51.2 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | trans | 66.7 | 36.4 | -177.2 | -44.8 | -163.1 | -164.2 | 170.9 | 0 | 114 | A24 D90 D126 L127 A130 S155 | A24-K124 WeakPolarHBondContact O-CE 3.15Å; A24-K124 PolarHBondContact O-NZ 2.89Å; D90-K124 VanDerWaalsContact OD1-CD 3.32Å; D90-K124 WeakPolarHBondContact OD1-CD 3.47Å; D90-K124 IonicContact OD1-NZ 3.93Å; D90-K124 VanDerWaalsContact OD2-CE 3.26Å; D90-K124 WeakPolarHBondContact OD2-CE 3.04Å; D90-K124 IonicContact OD2-NZ 3.59Å; D90-K124 PolarHBondContact OD2-NZ 2.79Å; K124-D126 VanDerWaalsContact C-OD1 3.3Å; K124-D126 VanDerWaalsContact CA-OD1 3.28Å; K124-D126 WeakPolarHBondContact CA-OD1 3.46Å; K124-D126 PolarHBondContact O-N 3.07Å; K124-D126 VanDerWaalsContact O-N 3.16Å; K124-L127 HydrophobicContact CB-CD1 3.85Å; K124-L127 HydrophobicContact CB-CG 4.12Å; K124-L127 HydrophobicContact CD-CD1 3.79Å; K124-L127 HydrophobicContact CG-CD1 4.46Å; K124-L127 PolarHBondContact O-N 2.65Å; K124-L127 VanDerWaalsContact O-N 3.14Å; K124-A130 WeakPolarHBondContact O-CB 3.14Å; K124-S155 PolarHBondContact N-O 2.66Å; K124-S155 VanDerWaalsContact N-O 3.12Å | ||
| 125 | Q | 98.4 | Very high | 96.8 | Very high | 38 Ų | 38 | 45 Ų | 45 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -11.6 | 176.4 | -68.6 | -66.1 | -58.7 | 0 | 0 | 113.9 | C91 A122 L127 M131 P154 S155 | C91-Q125 VanDerWaalsContact CB-NE2 3.3Å; C91-Q125 PolarHBondContact SG-NE2 2.9Å; A122-Q125 VanDerWaalsContact O-CG 3.24Å; A122-Q125 WeakPolarHBondContact O-CG 3.32Å; A122-Q125 PolarHBondContact O-NE2 3.34Å; Q125-L127 VanDerWaalsContact C-N 3.31Å; Q125-M131 PolarHBondContact NE2-O 2.68Å; Q125-P154 HydrophobicContact CG-CB 3.97Å; Q125-S155 PolarHBondContact N-O 3.15Å |
| 126 | D | 97.2 | Very high | 97.2 | Very high | 91 Ų | 91 | 38.1 Ų | 38.1 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -18.6 | 173 | 56.2 | -65.5 | 0 | 0 | 0 | 113.7 | K124 C156 | K124-D126 VanDerWaalsContact C-OD1 3.3Å; K124-D126 VanDerWaalsContact CA-OD1 3.28Å; K124-D126 WeakPolarHBondContact CA-OD1 3.46Å; K124-D126 PolarHBondContact O-N 3.07Å; K124-D126 VanDerWaalsContact O-N 3.16Å; D126-C156 PolarHBondContact OD1-SG 2.99Å |
| 127 | L | 97 | Very high | 97.4 | Very high | 68 Ų | 68 | 41 Ų | 41 | 36% | 0.356 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -82.3 | 148.6 | -178 | -63.5 | -177 | 0 | 0 | 0 | 112.4 | A92 K124 Q125 A130 | A92-L127 HydrophobicContact CB-CB 4.05Å; A92-L127 HydrophobicContact CB-CD1 3.63Å; A92-L127 HydrophobicContact CB-CG 4.49Å; K124-L127 HydrophobicContact CB-CD1 3.85Å; K124-L127 HydrophobicContact CB-CG 4.12Å; K124-L127 HydrophobicContact CD-CD1 3.79Å; K124-L127 HydrophobicContact CG-CD1 4.46Å; K124-L127 PolarHBondContact O-N 2.65Å; K124-L127 VanDerWaalsContact O-N 3.14Å; Q125-L127 VanDerWaalsContact C-N 3.31Å; L127-A130 WeakPolarHBondContact O-CB 3.37Å; L127-A130 PolarHBondContact O-N 3.39Å |
| 128 | P | 93.8 | Very high | 97.5 | Very high | 103 Ų | 103 | 47.1 Ų | 47.1 | 67% | 0.669 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 148.1 | 170.9 | 27.3 | -34.3 | 0 | 0 | 0 | 110.3 | A130 | P128-A130 PolarHBondContact O-N 3.14Š|
| 129 | D | 92.2 | Very high | 97.5 | Very high | 133 Ų | 133 | 50.8 Ų | 50.8 | 71% | 0.711 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 10.5 | 178.9 | -54.4 | -43.6 | 0 | 0 | 0 | 116.3 | R94 M131 | R94-D129 PolarHBondContact NE-O 3.42Å; R94-D129 PolarHBondContact NH2-O 3.35Å; D129-M131 PolarHBondContact O-N 3.37Å |
| 130 | A | 97.8 | Very high | 97.6 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 5% | 0.05 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 124.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | C91 K124 L127 P128 K132 | C91-A130 HydrophobicContact CB-CB 3.99Å; C91-A130 CarbonylContact O-C 3.5Å; C91-A130 WeakPolarHBondContact O-CA 2.91Å; K124-A130 WeakPolarHBondContact O-CB 3.14Å; L127-A130 WeakPolarHBondContact O-CB 3.37Å; L127-A130 PolarHBondContact O-N 3.39Å; P128-A130 PolarHBondContact O-N 3.14Å; A130-K132 PolarHBondContact O-N 2.79Å |
| 131 | M | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 128.3 | 175.1 | -67.6 | -179.8 | -79.7 | 0 | 0 | 110.2 | C91 R94 I97 Q125 D129 E135 I136 K139 | C91-M131 HydrophobicContact CB-CB 4.27Å; C91-M131 WeakPolarHBondContact CB-O 3.22Å; C91-M131 WeakPolarHBondContact O-CE 3.2Å; C91-M131 WeakPolarHBondContact O-CG 3.5Å; C91-M131 PolarHBondContact O-N 3.44Å; R94-M131 HydrophobicContact CG-CE 4.13Å; R94-M131 HydrophobicContact CG-CG 3.94Å; R94-M131 HydrophobicContact CG-SD 4.03Å; I97-M131 HydrophobicContact CB-CE 4.1Å; I97-M131 HydrophobicContact CB-SD 4.37Å; I97-M131 HydrophobicContact CD1-CE 4.04Å; I97-M131 HydrophobicContact CG1-CE 4.09Å; I97-M131 HydrophobicContact CG1-SD 4.14Å; Q125-M131 PolarHBondContact NE2-O 2.68Å; D129-M131 PolarHBondContact O-N 3.37Å; M131-E135 WeakPolarHBondContact CA-OE2 3.37Å; M131-E135 HydrophobicContact CB-CB 4.42Å; M131-E135 HydrophobicContact CB-CG 4.28Å; M131-E135 HydrophobicContact CG-CG 4.29Å; M131-E135 WeakPolarHBondContact CG-OE2 3.44Å; M131-I136 HydrophobicContact CB-CD1 3.65Å; M131-I136 HydrophobicContact CB-CG1 4.07Å; M131-I136 HydrophobicContact CE-CD1 3.92Å; M131-I136 HydrophobicContact CG-CD1 4.45Å; M131-I136 HydrophobicContact SD-CD1 4.06Å; M131-K139 HydrophobicContact SD-CD 3.53Å; M131-K139 VanDerWaalsContact SD-CD 3.53Å |
| 132 | K | 97.8 | Very high | 97.5 | Very high | 101 Ų | 101 | 51.3 Ų | 51.3 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 159.9 | -179.7 | -61.4 | -52.3 | -177.3 | -165.7 | 0 | 110.8 | A130 H134 E135 I136 | A130-K132 PolarHBondContact O-N 2.79Å; K132-H134 VanDerWaalsContact C-N 3.25Å; K132-H134 PolarHBondContact O-N 3.44Å; K132-H134 VanDerWaalsContact O-N 3.11Å; K132-E135 WeakPolarHBondContact O-CA 3.32Å; K132-E135 WeakPolarHBondContact O-CB 3.44Å; K132-E135 PolarHBondContact O-N 3.46Å; K132-I136 PolarHBondContact O-N 3Å |
| 133 | P | 97.2 | Very high | 97.3 | Very high | 34 Ų | 34 | 55 Ų | 55 | 22% | 0.221 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -52.4 | -37.2 | -176.7 | -32.4 | 37.8 | 0 | 0 | 0 | 115.4 | I136 Q137 V152 P154 | P133-I136 PolarHBondContact O-N 3.45Å; P133-Q137 WeakPolarHBondContact O-CB 3.47Å; P133-Q137 PolarHBondContact O-N 2.95Å; P133-V152 HydrophobicContact CB-CG1 3.92Å; P133-P154 HydrophobicContact CG-CB 3.72Å; P133-P154 HydrophobicContact CG-CG 3.94Å |
| 134 | H | 96.9 | Very high | 97 | Very high | 121 Ų | 121 | 64.5 Ų | 64.5 | 56% | 0.56 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | 176.5 | 67.7 | -91.7 | 0 | 0 | 0 | 112.1 | K132 Q137 E138 | K132-H134 VanDerWaalsContact C-N 3.25Å; K132-H134 PolarHBondContact O-N 3.44Å; K132-H134 VanDerWaalsContact O-N 3.11Å; H134-Q137 WeakPolarHBondContact O-CB 3.46Å; H134-Q137 PolarHBondContact O-N 2.8Å; H134-E138 WeakPolarHBondContact O-CG 3.28Å; H134-E138 PolarHBondContact O-N 3.17Å; H134-E138 VanDerWaalsContact O-N 3.09Å |
| 135 | E | 98.1 | Very high | 96.9 | Very high | 37 Ų | 37 | 62.8 Ų | 62.8 | 17% | 0.173 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.7 | -174.1 | -179.5 | -179.4 | 0 | 0 | 110.7 | R94 M131 K132 E138 K139 | R94-E135 IonicContact CZ-OE1 2.69Å; R94-E135 IonicContact CZ-OE2 3.77Å; R94-E135 IonicContact NH1-OE1 2.6Å; R94-E135 PolarHBondContact NH1-OE1 3.28Å; R94-E135 IonicContact NH1-OE2 2.77Å; R94-E135 IonicContact NH2-OE1 3.74Å; R94-E135 IonicContact NH2-OE2 3.56Å; R94-E135 PolarHBondContact NH2-OE2 2.94Å; R94-E135 VanDerWaalsContact NH2-OE2 3.14Å; M131-E135 WeakPolarHBondContact CA-OE2 3.37Å; M131-E135 HydrophobicContact CB-CB 4.42Å; M131-E135 HydrophobicContact CB-CG 4.28Å; M131-E135 HydrophobicContact CG-CG 4.29Å; M131-E135 WeakPolarHBondContact CG-OE2 3.44Å; K132-E135 WeakPolarHBondContact O-CA 3.32Å; K132-E135 WeakPolarHBondContact O-CB 3.44Å; K132-E135 PolarHBondContact O-N 3.46Å; E135-E138 PolarHBondContact O-N 3.3Å; E135-K139 HydrophobicContact CG-CD 3.94Å; E135-K139 HydrophobicContact CG-CG 4.37Å; E135-K139 WeakPolarHBondContact O-CB 3.36Å; E135-K139 WeakPolarHBondContact O-CG 3.34Å; E135-K139 PolarHBondContact O-N 2.81Å; E135-K139 WeakPolarHBondContact OE1-CE 3.38Å |
| 136 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 173.8 | -65.6 | -59.9 | 0 | 0 | 0 | 111.2 | V89 I97 I120 A122 M131 K132 P133 E138 K139 L140 V152 | V89-I136 HydrophobicContact CG1-CD1 3.99Å; I97-I136 HydrophobicContact CD1-CD1 4.03Å; I120-I136 HydrophobicContact CG2-CG2 4.03Å; A122-I136 HydrophobicContact CB-CG1 4.14Å; M131-I136 HydrophobicContact CB-CD1 3.65Å; M131-I136 HydrophobicContact CB-CG1 4.07Å; M131-I136 HydrophobicContact CE-CD1 3.92Å; M131-I136 HydrophobicContact CG-CD1 4.45Å; M131-I136 HydrophobicContact SD-CD1 4.06Å; K132-I136 PolarHBondContact O-N 3Å; P133-I136 PolarHBondContact O-N 3.45Å; I136-E138 VanDerWaalsContact C-N 3.31Å; I136-E138 PolarHBondContact O-N 2.92Å; I136-K139 PolarHBondContact O-N 3.29Å; I136-L140 HydrophobicContact CG2-CD1 3.57Å; I136-L140 HydrophobicContact CG2-CG 4.11Å; I136-L140 VanDerWaalsContact O-CB 3.32Å; I136-L140 WeakPolarHBondContact O-CB 3.3Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.34Å; I136-L140 PolarHBondContact O-N 2.92Å; I136-V152 HydrophobicContact CB-CG1 4.36Å; I136-V152 HydrophobicContact CG2-CG1 4.08Å |
| 137 | Q | 97.9 | Very high | 96.4 | Very high | 64 Ų | 64 | 72.5 Ų | 72.5 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 177.6 | 178.7 | -175.6 | -35.6 | 0 | 0 | 111.8 | P133 H134 G141 L142 T143 W150 V152 | P133-Q137 WeakPolarHBondContact O-CB 3.47Å; P133-Q137 PolarHBondContact O-N 2.95Å; H134-Q137 WeakPolarHBondContact O-CB 3.46Å; H134-Q137 PolarHBondContact O-N 2.8Å; Q137-G141 PolarHBondContact O-N 3.14Å; Q137-L142 HydrophobicContact CB-CD1 4.38Å; Q137-L142 HydrophobicContact CG-CB 4.19Å; Q137-L142 HydrophobicContact CG-CD1 4.37Å; Q137-L142 PolarHBondContact O-N 3.47Å; Q137-L142 VanDerWaalsContact O-N 3.09Å; Q137-T143 HydrophobicContact CG-CG2 4.33Å; Q137-W150 HydrophobicContact CG-CH2 3.83Å; Q137-W150 HydrophobicContact CG-CZ3 4.01Å; Q137-V152 HydrophobicContact CB-CG2 4.31Å |
| 138 | E | 97.9 | Very high | 96.1 | Very high | 142 Ų | 142 | 70.9 Ų | 70.9 | 66% | 0.664 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.4 | -52 | 177.5 | -71 | 179.4 | -176.7 | 0 | 0 | 111.9 | H134 E135 I136 L140 G141 | H134-E138 WeakPolarHBondContact O-CG 3.28Å; H134-E138 PolarHBondContact O-N 3.17Å; H134-E138 VanDerWaalsContact O-N 3.09Å; E135-E138 PolarHBondContact O-N 3.3Å; I136-E138 VanDerWaalsContact C-N 3.31Å; I136-E138 PolarHBondContact O-N 2.92Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 2.86Å; E138-G141 WeakPolarHBondContact O-CA 3.49Å; E138-G141 PolarHBondContact O-N 3.22Å |
| 139 | K | 98.3 | Very high | 96.1 | Very high | 79 Ų | 79 | 69.7 Ų | 69.7 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.7 | -31.4 | -175.9 | -73.8 | -178.5 | 176.6 | -77.6 | 0 | 113.4 | I97 R101 M131 E135 I136 G141 | I97-K139 HydrophobicContact CB-CD 4.44Å; I97-K139 HydrophobicContact CG1-CB 3.7Å; I97-K139 HydrophobicContact CG1-CD 3.8Å; I97-K139 HydrophobicContact CG1-CG 4.38Å; I97-K139 HydrophobicContact CG2-CD 3.98Å; R101-K139 VanDerWaalsContact CD-O 3.28Å; R101-K139 WeakPolarHBondContact CD-O 3.38Å; M131-K139 HydrophobicContact SD-CD 3.53Å; M131-K139 VanDerWaalsContact SD-CD 3.53Å; E135-K139 HydrophobicContact CG-CD 3.94Å; E135-K139 HydrophobicContact CG-CG 4.37Å; E135-K139 WeakPolarHBondContact O-CB 3.36Å; E135-K139 WeakPolarHBondContact O-CG 3.34Å; E135-K139 PolarHBondContact O-N 2.81Å; E135-K139 WeakPolarHBondContact OE1-CE 3.38Å; I136-K139 PolarHBondContact O-N 3.29Å; K139-G141 VanDerWaalsContact C-N 3.31Å |
| 140 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -9.4 | 172.8 | -62.9 | -179.7 | 0 | 0 | 0 | 112.9 | V89 I97 A100 R101 L104 H105 I120 I136 E138 L142 | V89-L140 HydrophobicContact CG2-CD1 4.12Å; I97-L140 HydrophobicContact CD1-CD2 3.92Å; I97-L140 HydrophobicContact CD1-CG 4.46Å; A100-L140 HydrophobicContact CB-CD2 4.43Å; R101-L140 HydrophobicContact CB-CD2 4.09Å; L104-L140 HydrophobicContact CD2-CB 4.16Å; L104-L140 HydrophobicContact CD2-CD1 4.12Å; H105-L140 PolarHBondContact NE2-O 3.16Å; I120-L140 HydrophobicContact CD1-CD1 4.4Å; I120-L140 HydrophobicContact CG1-CD1 4.4Å; I120-L140 HydrophobicContact CG2-CD1 3.91Å; I136-L140 HydrophobicContact CG2-CD1 3.57Å; I136-L140 HydrophobicContact CG2-CG 4.11Å; I136-L140 VanDerWaalsContact O-CB 3.32Å; I136-L140 WeakPolarHBondContact O-CB 3.3Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.34Å; I136-L140 PolarHBondContact O-N 2.92Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 2.86Å; L140-L142 HydrophobicContact CB-CD2 3.7Å; L140-L142 HydrophobicContact CB-CG 3.89Å; L140-L142 HydrophobicContact CD1-CD2 4.3Å |
| 141 | G | 97.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 70.2 Ų | 70.2 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 34.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q137 E138 K139 T143 R144 | Q137-G141 PolarHBondContact O-N 3.14Å; E138-G141 WeakPolarHBondContact O-CA 3.49Å; E138-G141 PolarHBondContact O-N 3.22Å; K139-G141 VanDerWaalsContact C-N 3.31Å; G141-T143 VanDerWaalsContact C-N 3.26Å; G141-T143 PolarHBondContact O-N 3.12Å; G141-R144 WeakPolarHBondContact O-CB 3.48Å; G141-R144 PolarHBondContact O-N 3.27Å; G141-R144 VanDerWaalsContact O-N 3.17Å |
| 142 | L | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -65.6 | -28.7 | -172.8 | -55.6 | -178.1 | 0 | 0 | 0 | 113 | L104 I120 Q137 L140 R144 I145 W150 V152 | L104-L142 HydrophobicContact CD2-CD2 3.66Å; I120-L142 HydrophobicContact CG1-CD1 3.9Å; I120-L142 HydrophobicContact CG1-CD2 4.41Å; Q137-L142 HydrophobicContact CB-CD1 4.38Å; Q137-L142 HydrophobicContact CG-CB 4.19Å; Q137-L142 HydrophobicContact CG-CD1 4.37Å; Q137-L142 PolarHBondContact O-N 3.47Å; Q137-L142 VanDerWaalsContact O-N 3.09Å; L140-L142 HydrophobicContact CB-CD2 3.7Å; L140-L142 HydrophobicContact CB-CG 3.89Å; L140-L142 HydrophobicContact CD1-CD2 4.3Å; L142-R144 PolarHBondContact O-N 3.43Å; L142-R144 VanDerWaalsContact O-N 3.07Å; L142-I145 HydrophobicContact CD2-CD1 3.94Å; L142-I145 WeakPolarHBondContact O-CB 3.22Å; L142-I145 PolarHBondContact O-N 3.27Å; L142-W150 HydrophobicContact CB-CD2 3.94Å; L142-W150 HydrophobicContact CB-CE3 4.02Å; L142-W150 HydrophobicContact CB-CH2 4.22Å; L142-W150 HydrophobicContact CB-CZ2 4.1Å; L142-W150 HydrophobicContact CB-CZ3 4.17Å; L142-W150 HydrophobicContact CD1-CD2 4.42Å; L142-W150 HydrophobicContact CD1-CE3 3.84Å; L142-W150 HydrophobicContact CD1-CZ3 4.13Å; L142-W150 PolarHBondContact O-NE1 2.96Å; L142-W150 VanDerWaalsContact O-NE1 3.15Å; L142-V152 HydrophobicContact CD1-CG2 3.3Å |
| 143 | T | 94.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 66.6 Ų | 66.6 | 49% | 0.485 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -63 | -15.1 | 177.3 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | Q137 G141 | Q137-T143 HydrophobicContact CG-CG2 4.33Å; G141-T143 VanDerWaalsContact C-N 3.26Å; G141-T143 PolarHBondContact O-N 3.12Å |
| 144 | R | 93.8 | Very high | 96.5 | Very high | 200 Ų | 200 | 67.2 Ų | 67.2 | 76% | 0.755 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -82.9 | -18.7 | 174.1 | -58.4 | -178 | -179.5 | -172.1 | 0.1 | 112.5 | G141 L142 R146 | G141-R144 WeakPolarHBondContact O-CB 3.48Å; G141-R144 PolarHBondContact O-N 3.27Å; G141-R144 VanDerWaalsContact O-N 3.17Å; L142-R144 PolarHBondContact O-N 3.43Å; L142-R144 VanDerWaalsContact O-N 3.07Å; R144-R146 PolarHBondContact O-N 2.85Å |
| 145 | I | 94.8 | Very high | 96.6 | Very high | 13 Ų | 13 | 61.6 Ų | 61.6 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | trans | -82.7 | 106.8 | 176.8 | -53.3 | 168.2 | 0 | 0 | 0 | 107.4 | I108 I118 L142 R148 W150 | I108-I145 HydrophobicContact CD1-CD1 3.41Å; I108-I145 VanDerWaalsContact CD1-CD1 3.41Å; I108-I145 HydrophobicContact CD1-CG1 3.86Å; I118-I145 HydrophobicContact CD1-CD1 4.29Å; I118-I145 HydrophobicContact CD1-CG2 4.37Å; L142-I145 HydrophobicContact CD2-CD1 3.94Å; L142-I145 WeakPolarHBondContact O-CB 3.22Å; L142-I145 PolarHBondContact O-N 3.27Å; I145-R148 HydrophobicContact CG2-CG 3.77Å; I145-W150 PolarHBondContact O-NE1 2.84Å | ||
| 146 | R | 92.8 | Very high | 96.5 | Very high | 227 Ų | 227 | 60.1 Ų | 60.1 | 86% | 0.857 | 27% | 0.274 | S | S | * | . | trans | -118.1 | -10.7 | -175 | -64 | -173.7 | 177.8 | -171.1 | -0.4 | 113.9 | R144 | R144-R146 PolarHBondContact O-N 2.85Š| ||
| 147 | D | 91.9 | Very high | 96.3 | Very high | 105 Ų | 105 | 60.3 Ų | 60.3 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -91 | -6.8 | -174.2 | 64.4 | -26.8 | 0 | 0 | 0 | 113.2 | ||
| 148 | R | 91.4 | Very high | 96 | Very high | 34 Ų | 34 | 61.6 Ų | 61.6 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -155.3 | 161.9 | -179.6 | 65.6 | -161.2 | 83.5 | 172 | 6.7 | 112.9 | I108 M113 R114 A116 I118 I145 | I108-R148 PolarHBondContact O-NH1 2.81Å; I108-R148 PolarHBondContact O-NH2 3.46Å; M113-R148 PolarHBondContact O-NH1 3.2Å; R114-R148 PolarHBondContact O-NE 3Å; R114-R148 PolarHBondContact O-NH1 2.81Å; A116-R148 WeakPolarHBondContact O-CD 3.27Å; I118-R148 HydrophobicContact CD1-CG 4.02Å; I145-R148 HydrophobicContact CG2-CG 3.77Å |
| 149 | N | 94.2 | Very high | 95.8 | Very high | 79 Ų | 79 | 58.2 Ų | 58.2 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | trans | -75.1 | 136.7 | 179.6 | -68 | -22.6 | 0 | 0 | 0 | 111.3 | I117 I118 W169 | I117-N149 HydrophobicContact CG2-CB 4.3Å; I118-N149 PolarHBondContact N-O 2.83Å; N149-W169 HydrophobicContact CB-CH2 4.43Å; N149-W169 HydrophobicContact CB-CZ2 4.42Å | ||
| 150 | W | 97.4 | Very high | 95.5 | Very high | 65 Ų | 65 | 55 Ų | 55 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 157.3 | 171.4 | 58.7 | -97.3 | 0 | 0 | 0 | 111.9 | I118 Q137 L142 I145 V152 W169 | I118-W150 HydrophobicContact CB-CB 3.91Å; I118-W150 HydrophobicContact CG2-CB 4.44Å; I118-W150 CarbonylContact O-C 3.42Å; I118-W150 WeakPolarHBondContact O-CA 3.47Å; Q137-W150 HydrophobicContact CG-CH2 3.83Å; Q137-W150 HydrophobicContact CG-CZ3 4.01Å; L142-W150 HydrophobicContact CB-CD2 3.94Å; L142-W150 HydrophobicContact CB-CE3 4.02Å; L142-W150 HydrophobicContact CB-CH2 4.22Å; L142-W150 HydrophobicContact CB-CZ2 4.1Å; L142-W150 HydrophobicContact CB-CZ3 4.17Å; L142-W150 HydrophobicContact CD1-CD2 4.42Å; L142-W150 HydrophobicContact CD1-CE3 3.84Å; L142-W150 HydrophobicContact CD1-CZ3 4.13Å; L142-W150 PolarHBondContact O-NE1 2.96Å; L142-W150 VanDerWaalsContact O-NE1 3.15Å; I145-W150 PolarHBondContact O-NE1 2.84Å; W150-V152 HydrophobicContact CE3-CG2 4.47Å; W150-V152 HydrophobicContact CZ3-CG2 4.38Å; W150-W169 VanDerWaalsContact C-CH2 3.44Å; W150-W169 WeakPolarHBondContact O-CZ2 3.26Å |
| 151 | Y | 98.3 | Very high | 95.4 | Very high | 84 Ų | 84 | 60 Ų | 60 | 33% | 0.329 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 146.5 | 173 | 177.3 | -118.5 | 0 | 0 | 0 | 111.6 | I118 L119 I120 Q153 W169 | I118-Y151 PolarHBondContact O-N 3.49Å; L119-Y151 HydrophobicContact CD1-CD1 3.89Å; I120-Y151 PolarHBondContact N-O 2.88Å; Y151-Q153 HydrophobicContact CD1-CB 4.18Å; Y151-Q153 HydrophobicContact CE1-CB 3.81Å; Y151-Q153 HydrophobicContact CE1-CG 4.45Å; Y151-Q153 VanDerWaalsContact CE1-OE1 3.23Å; Y151-Q153 PolarHBondContact OH-OE1 3.46Å; Y151-W169 HydrophobicContact CD1-CB 3.94Å; Y151-W169 AromaticContact CD1-CD1 3.87Å; Y151-W169 AromaticContact CD1-CD2 3.7Å; Y151-W169 HydrophobicContact CD1-CD2 3.7Å; Y151-W169 HydrophobicContact CD1-CE3 4.13Å; Y151-W169 AromaticContact CD1-CG 3.55Å; Y151-W169 HydrophobicContact CD1-CG 3.55Å; Y151-W169 HydrophobicContact CE1-CB 4.19Å; Y151-W169 HydrophobicContact CE1-CG 4.14Å; Y151-W169 AromaticContact CG-CD1 3.88Å; Y151-W169 AromaticContact CG-CD2 3.79Å; Y151-W169 HydrophobicContact CG-CD2 3.79Å; Y151-W169 AromaticContact CG-CE2 3.8Å; Y151-W169 HydrophobicContact CG-CE3 4.34Å; Y151-W169 AromaticContact CG-CG 3.91Å; Y151-W169 HydrophobicContact CG-CG 3.91Å; Y151-W169 HydrophobicContact CG-CZ2 4.37Å; Y151-W169 AromaticContact CG-NE1 3.79Å |
| 152 | V | 98.6 | Very high | 95.3 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 114.1 | 175.5 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | I120 A122 P133 I136 Q137 L142 W150 | I120-V152 HydrophobicContact CB-CB 4.47Å; I120-V152 HydrophobicContact CB-CG1 4.38Å; I120-V152 HydrophobicContact CB-CG2 4.14Å; I120-V152 HydrophobicContact CG1-CG2 4.29Å; I120-V152 HydrophobicContact CG2-CG1 4.41Å; A122-V152 HydrophobicContact CB-CG1 3.84Å; P133-V152 HydrophobicContact CB-CG1 3.92Å; I136-V152 HydrophobicContact CB-CG1 4.36Å; I136-V152 HydrophobicContact CG2-CG1 4.08Å; Q137-V152 HydrophobicContact CB-CG2 4.31Å; L142-V152 HydrophobicContact CD1-CG2 3.3Å; W150-V152 HydrophobicContact CE3-CG2 4.47Å; W150-V152 HydrophobicContact CZ3-CG2 4.38Å |
| 153 | Q | 98.7 | Very high | 95.1 | Very high | 15 Ų | 15 | 60 Ų | 60 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 117.8 | 177 | 179 | 58 | 53.9 | 0 | 0 | 109.2 | L119 I120 F121 A122 Y151 S155 G162 | L119-Q153 HydrophobicContact CD1-CB 3.94Å; I120-Q153 PolarHBondContact O-N 3.29Å; F121-Q153 HydrophobicContact CD1-CB 4.04Å; F121-Q153 HydrophobicContact CD1-CG 4.11Å; F121-Q153 HydrophobicContact CE1-CB 4.14Å; F121-Q153 HydrophobicContact CE1-CG 3.89Å; A122-Q153 PolarHBondContact N-O 3.13Å; Y151-Q153 HydrophobicContact CD1-CB 4.18Å; Y151-Q153 HydrophobicContact CE1-CB 3.81Å; Y151-Q153 HydrophobicContact CE1-CG 4.45Å; Y151-Q153 VanDerWaalsContact CE1-OE1 3.23Å; Y151-Q153 PolarHBondContact OH-OE1 3.46Å; Q153-S155 PolarHBondContact O-N 3.26Å; Q153-G162 WeakPolarHBondContact CG-O 3.27Å |
| 154 | P | 98.5 | Very high | 94.9 | Very high | 48 Ų | 48 | 61 Ų | 61 | 31% | 0.312 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 135.1 | 166.9 | 23.8 | -31.5 | 0 | 0 | 0 | 109.4 | Q125 P133 G162 | Q125-P154 HydrophobicContact CG-CB 3.97Å; P133-P154 HydrophobicContact CG-CB 3.72Å; P133-P154 HydrophobicContact CG-CG 3.94Å; P154-G162 WeakPolarHBondContact O-CA 3.42Å |
| 155 | S | 98.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | -145.2 | 157.9 | 179.6 | 69.7 | 0 | 0 | 0 | 0 | 114.3 | A122 N123 K124 Q125 Q153 D161 | A122-S155 PolarHBondContact O-N 3.47Å; N123-S155 CarbonylContact C-O 3.59Å; N123-S155 WeakPolarHBondContact CA-O 3.08Å; N123-S155 WeakPolarHBondContact CA-OG 3.27Å; N123-S155 PolarHBondContact OD1-O 2.69Å; N123-S155 PolarHBondContact OD1-OG 3.29Å; K124-S155 PolarHBondContact N-O 2.66Å; K124-S155 VanDerWaalsContact N-O 3.12Å; Q125-S155 PolarHBondContact N-O 3.15Å; Q153-S155 PolarHBondContact O-N 3.26Å; S155-D161 VanDerWaalsContact CA-O 3.22Å; S155-D161 WeakPolarHBondContact CA-O 3.48Å | ||
| 156 | C | 97.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | trans | -130.5 | 108.7 | 166.7 | 177.5 | 0 | 0 | 0 | 0 | 109 | D126 T158 T159 G160 D161 | D126-C156 PolarHBondContact OD1-SG 2.99Å; C156-T158 VanDerWaalsContact C-N 3.26Å; C156-T158 PolarHBondContact O-N 2.9Å; C156-T158 PolarHBondContact SG-OG1 2.8Å; C156-T159 VanDerWaalsContact CB-OG1 3.29Å; C156-T159 WeakPolarHBondContact CB-OG1 3.26Å; C156-T159 PolarHBondContact SG-OG1 3.39Å; C156-T159 VanDerWaalsContact SG-OG1 3.36Å; C156-G160 CarbonylContact O-C 3.52Å; C156-G160 WeakPolarHBondContact O-CA 3.14Å; C156-G160 PolarHBondContact O-N 3.05Å; C156-D161 HydrophobicContact CB-CB 4.43Å; C156-D161 PolarHBondContact N-O 3.43Å; C156-D161 PolarHBondContact O-N 2.86Å | ||
| 157 | A | 92.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T29 I30 N123 | T29-A157 HydrophobicContact CG2-CB 3.68Å; I30-A157 HydrophobicContact CD1-CB 4.41Å; I30-A157 HydrophobicContact CG1-CB 3.5Å; I30-A157 VanDerWaalsContact CG1-CB 3.5Å; N123-A157 PolarHBondContact OD1-N 3.07Å |
| 158 | T | 92.6 | Very high | 94.7 | Very high | 90 Ų | 90 | 42.4 Ų | 42.4 | 55% | 0.552 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -44.1 | -177.1 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | T29 K33 C156 | T29-T158 HydrophobicContact CG2-CG2 4.38Å; K33-T158 PolarHBondContact NZ-O 2.63Å; C156-T158 VanDerWaalsContact C-N 3.26Å; C156-T158 PolarHBondContact O-N 2.9Å; C156-T158 PolarHBondContact SG-OG1 2.8Å |
| 159 | T | 93 | Very high | 94.8 | Very high | 72 Ų | 72 | 43 Ų | 43 | 44% | 0.442 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -34.5 | 176.6 | 65.8 | 0 | 0 | 0 | 0 | 112 | K33 C156 D161 | K33-T159 VanDerWaalsContact CE-C 3.48Å; K33-T159 WeakPolarHBondContact CE-O 3.44Å; K33-T159 PolarHBondContact NZ-O 3.16Å; C156-T159 VanDerWaalsContact CB-OG1 3.29Å; C156-T159 WeakPolarHBondContact CB-OG1 3.26Å; C156-T159 PolarHBondContact SG-OG1 3.39Å; C156-T159 VanDerWaalsContact SG-OG1 3.36Å; T159-D161 WeakPolarHBondContact CB-OD2 3.28Å; T159-D161 PolarHBondContact OG1-N 2.65Å; T159-D161 PolarHBondContact OG1-OD2 3.2Å |
| 160 | G | 91.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | trans | 97.7 | -1.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C156 G162 L163 | C156-G160 CarbonylContact O-C 3.52Å; C156-G160 WeakPolarHBondContact O-CA 3.14Å; C156-G160 PolarHBondContact O-N 3.05Å; G160-G162 PolarHBondContact O-N 2.89Å; G160-L163 WeakPolarHBondContact O-CG 3.44Å; G160-L163 PolarHBondContact O-N 3.41Å | ||
| 161 | D | 96.3 | Very high | 94.1 | Very high | 106 Ų | 106 | 37.7 Ų | 37.7 | 57% | 0.567 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 135.5 | -177.1 | -60 | -33.3 | 0 | 0 | 0 | 110.9 | S155 C156 T159 L163 | S155-D161 VanDerWaalsContact CA-O 3.22Å; S155-D161 WeakPolarHBondContact CA-O 3.48Å; C156-D161 HydrophobicContact CB-CB 4.43Å; C156-D161 PolarHBondContact N-O 3.43Å; C156-D161 PolarHBondContact O-N 2.86Å; T159-D161 WeakPolarHBondContact CB-OD2 3.28Å; T159-D161 PolarHBondContact OG1-N 2.65Å; T159-D161 PolarHBondContact OG1-OD2 3.2Å; D161-L163 PolarHBondContact O-N 3.11Å |
| 162 | G | 96.4 | Very high | 93.6 | Very high | 8 Ų | 8 | 38 Ų | 38 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -13.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q153 P154 G160 E165 G166 | Q153-G162 WeakPolarHBondContact CG-O 3.27Å; P154-G162 WeakPolarHBondContact O-CA 3.42Å; G160-G162 PolarHBondContact O-N 2.89Å; G162-E165 WeakPolarHBondContact CA-OE2 3.29Å; G162-E165 PolarHBondContact N-OE2 3.2Å; G162-G166 PolarHBondContact O-N 2.93Å |
| 163 | L | 93 | Very high | 93.2 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -44.4 | -175.8 | -60.8 | -175.2 | 0 | 0 | 0 | 111.9 | I30 K33 L34 F121 G160 D161 G166 L167 | I30-L163 HydrophobicContact CD1-CD2 4.05Å; I30-L163 HydrophobicContact CG1-CD1 4.45Å; I30-L163 HydrophobicContact CG1-CD2 3.88Å; I30-L163 HydrophobicContact CG2-CD1 4.24Å; I30-L163 HydrophobicContact CG2-CD2 3.99Å; K33-L163 HydrophobicContact CB-CD1 4.14Å; K33-L163 HydrophobicContact CG-CD1 3.94Å; L34-L163 HydrophobicContact CD2-CB 4.1Å; L34-L163 HydrophobicContact CD2-CD1 4.46Å; L34-L163 HydrophobicContact CG-CD1 4.46Å; F121-L163 HydrophobicContact CD1-CD2 4.21Å; F121-L163 HydrophobicContact CD2-CD2 4.47Å; F121-L163 HydrophobicContact CE1-CD2 3.91Å; F121-L163 HydrophobicContact CE2-CD2 4.18Å; F121-L163 HydrophobicContact CZ-CB 4.45Å; F121-L163 HydrophobicContact CZ-CD2 3.9Å; G160-L163 WeakPolarHBondContact O-CG 3.44Å; G160-L163 PolarHBondContact O-N 3.41Å; D161-L163 PolarHBondContact O-N 3.11Å; L163-G166 PolarHBondContact O-N 3.48Å; L163-L167 WeakPolarHBondContact O-CG 3.23Å; L163-L167 PolarHBondContact O-N 3.29Å; L163-L167 VanDerWaalsContact O-N 3.09Å |
| 164 | Y | 90.7 | Very high | 92.4 | Very high | 101 Ų | 101 | 41.2 Ų | 41.2 | 40% | 0.396 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -73.5 | -31.7 | -177.8 | -68.4 | -64.7 | 0 | 0 | 0 | 112.8 | L34 Y55 T168 | L34-Y164 HydrophobicContact CD2-CD1 4.38Å; L34-Y164 HydrophobicContact CD2-CE1 4.08Å; Y55-Y164 AromaticContact CD2-CD1 3.57Å; Y55-Y164 HydrophobicContact CD2-CD1 3.57Å; Y55-Y164 AromaticContact CD2-CE1 3.81Å; Y55-Y164 HydrophobicContact CD2-CE1 3.81Å; Y55-Y164 AromaticContact CE2-CD1 3.31Å; Y55-Y164 HydrophobicContact CE2-CD1 3.31Å; Y55-Y164 AromaticContact CE2-CE1 3.94Å; Y55-Y164 HydrophobicContact CE2-CE1 3.94Å; Y55-Y164 HydrophobicContact CE2-CG 4.23Å; Y164-T168 WeakPolarHBondContact O-CB 3.45Å; Y164-T168 PolarHBondContact O-N 2.93Å; Y164-T168 PolarHBondContact O-OG1 3.19Å |
| 165 | E | 94.6 | Very high | 90.9 | Very high | 106 Ų | 106 | 47.8 Ų | 47.8 | 50% | 0.495 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 173.1 | -65.2 | 82.4 | 172.1 | 0 | 0 | 110.2 | G162 T168 W169 | G162-E165 WeakPolarHBondContact CA-OE2 3.29Å; G162-E165 PolarHBondContact N-OE2 3.2Å; E165-T168 WeakPolarHBondContact O-CB 3.16Å; E165-T168 PolarHBondContact O-N 2.92Å; E165-W169 PolarHBondContact O-N 3.38Å |
| 166 | G | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L119 G162 L163 T168 W169 L170 | L119-G166 WeakPolarHBondContact CD2-O 3.33Å; G162-G166 PolarHBondContact O-N 2.93Å; L163-G166 PolarHBondContact O-N 3.48Å; G166-T168 VanDerWaalsContact C-N 3.33Å; G166-T168 PolarHBondContact O-N 3.47Å; G166-W169 PolarHBondContact O-N 3.11Å; G166-L170 WeakPolarHBondContact O-CB 3.4Å; G166-L170 PolarHBondContact O-N 3.36Å |
| 167 | L | 90.4 | Very high | 88.5 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.9 | -34.7 | 176.2 | -66.5 | -177.9 | 0 | 0 | 0 | 112.8 | L34 Y55 I86 L163 L170 T171 | L34-L167 HydrophobicContact CD1-CD1 3.91Å; L34-L167 HydrophobicContact CD2-CD1 3.64Å; L34-L167 HydrophobicContact CG-CD1 4.41Å; Y55-L167 HydrophobicContact CD1-CB 4Å; Y55-L167 HydrophobicContact CD1-CD1 4.35Å; Y55-L167 HydrophobicContact CE1-CB 4.03Å; Y55-L167 HydrophobicContact CG-CD1 4.15Å; I86-L167 HydrophobicContact CD1-CD2 3.89Å; L163-L167 WeakPolarHBondContact O-CG 3.23Å; L163-L167 PolarHBondContact O-N 3.29Å; L163-L167 VanDerWaalsContact O-N 3.09Å; L167-L170 PolarHBondContact O-N 2.67Å; L167-T171 WeakPolarHBondContact O-CG2 3.24Å; L167-T171 PolarHBondContact O-N 2.81Å; L167-T171 PolarHBondContact O-OG1 3.42Å |
| 168 | T | 90.1 | Very high | 88.3 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 173.1 | -64.1 | 0 | 0 | 0 | 0 | 110.3 | Y55 Y164 E165 G166 L170 T171 S172 | Y55-T168 PolarHBondContact OH-OG1 3.45Å; Y164-T168 WeakPolarHBondContact O-CB 3.45Å; Y164-T168 PolarHBondContact O-N 2.93Å; Y164-T168 PolarHBondContact O-OG1 3.19Å; E165-T168 WeakPolarHBondContact O-CB 3.16Å; E165-T168 PolarHBondContact O-N 2.92Å; G166-T168 VanDerWaalsContact C-N 3.33Å; G166-T168 PolarHBondContact O-N 3.47Å; T168-L170 VanDerWaalsContact C-N 3.31Å; T168-L170 PolarHBondContact O-N 2.87Å; T168-T171 PolarHBondContact O-N 3.41Å; T168-T171 PolarHBondContact O-OG1 3.32Å; T168-S172 WeakPolarHBondContact O-CB 3.06Å; T168-S172 PolarHBondContact O-N 3.26Å; T168-S172 PolarHBondContact O-OG 2.91Å; T168-S172 VanDerWaalsContact O-OG 3.11Å |
| 169 | W | 93.8 | Very high | 88.1 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 17% | 0.174 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 175.8 | 176.7 | 90.8 | 0 | 0 | 0 | 111.3 | I118 L119 N149 W150 Y151 E165 G166 T171 S172 N173 | I118-W169 WeakPolarHBondContact O-CH2 3.46Å; I118-W169 WeakPolarHBondContact O-CZ3 3.45Å; L119-W169 HydrophobicContact CB-CE3 4.36Å; L119-W169 HydrophobicContact CB-CZ3 4.13Å; L119-W169 HydrophobicContact CD1-CE3 4.06Å; L119-W169 HydrophobicContact CD1-CZ3 4.48Å; N149-W169 HydrophobicContact CB-CH2 4.43Å; N149-W169 HydrophobicContact CB-CZ2 4.42Å; W150-W169 VanDerWaalsContact C-CH2 3.44Å; W150-W169 WeakPolarHBondContact O-CZ2 3.26Å; Y151-W169 HydrophobicContact CD1-CB 3.94Å; Y151-W169 AromaticContact CD1-CD1 3.87Å; Y151-W169 AromaticContact CD1-CD2 3.7Å; Y151-W169 HydrophobicContact CD1-CD2 3.7Å; Y151-W169 HydrophobicContact CD1-CE3 4.13Å; Y151-W169 AromaticContact CD1-CG 3.55Å; Y151-W169 HydrophobicContact CD1-CG 3.55Å; Y151-W169 HydrophobicContact CE1-CB 4.19Å; Y151-W169 HydrophobicContact CE1-CG 4.14Å; Y151-W169 AromaticContact CG-CD1 3.88Å; Y151-W169 AromaticContact CG-CD2 3.79Å; Y151-W169 HydrophobicContact CG-CD2 3.79Å; Y151-W169 AromaticContact CG-CE2 3.8Å; Y151-W169 HydrophobicContact CG-CE3 4.34Å; Y151-W169 AromaticContact CG-CG 3.91Å; Y151-W169 HydrophobicContact CG-CG 3.91Å; Y151-W169 HydrophobicContact CG-CZ2 4.37Å; Y151-W169 AromaticContact CG-NE1 3.79Å; E165-W169 PolarHBondContact O-N 3.38Å; G166-W169 PolarHBondContact O-N 3.11Å; W169-T171 PolarHBondContact O-N 3.48Å; W169-S172 PolarHBondContact O-N 2.85Å; W169-N173 VanDerWaalsContact CD1-ND2 3.32Å; W169-N173 HydrophobicContact CZ2-CB 4.3Å; W169-N173 PolarHBondContact NE1-ND2 2.63Å; W169-N173 WeakPolarHBondContact O-CB 3.43Å; W169-N173 PolarHBondContact O-N 3.25Å; W169-N173 PolarHBondContact O-ND2 2.93Å |
| 170 | L | 90.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | -178.1 | -169.6 | 78.8 | 0 | 0 | 0 | 111.9 | I17 I86 I117 L119 G166 L167 T168 N173 Y174 | I17-L170 HydrophobicContact CD1-CD2 3.16Å; I17-L170 HydrophobicContact CG1-CD2 4.17Å; I86-L170 HydrophobicContact CD1-CD2 4.39Å; I86-L170 HydrophobicContact CG1-CD2 4.32Å; I117-L170 HydrophobicContact CD1-CD1 3.38Å; I117-L170 HydrophobicContact CD1-CG 3.76Å; I117-L170 VanDerWaalsContact CD1-O 3.22Å; I117-L170 WeakPolarHBondContact CD1-O 3.5Å; I117-L170 HydrophobicContact CG1-CD1 3.63Å; I117-L170 HydrophobicContact CG1-CG 4.43Å; L119-L170 HydrophobicContact CB-CD1 3.87Å; L119-L170 HydrophobicContact CD2-CB 4.43Å; G166-L170 WeakPolarHBondContact O-CB 3.4Å; G166-L170 PolarHBondContact O-N 3.36Å; L167-L170 PolarHBondContact O-N 2.67Å; T168-L170 VanDerWaalsContact C-N 3.31Å; T168-L170 PolarHBondContact O-N 2.87Å; L170-N173 PolarHBondContact O-N 2.81Å; L170-Y174 WeakPolarHBondContact O-CB 3.37Å; L170-Y174 PolarHBondContact O-N 3.28Å |
| 171 | T | 85.8 | Confident | 87.5 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.1 | -34.6 | 179.2 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | M15 V58 F60 L167 T168 W169 N173 | M15-T171 HydrophobicContact SD-CG2 4.36Å; V58-T171 HydrophobicContact CB-CG2 4.24Å; V58-T171 HydrophobicContact CG1-CG2 4.22Å; V58-T171 HydrophobicContact CG2-CG2 3.95Å; F60-T171 HydrophobicContact CE1-CG2 3.87Å; F60-T171 HydrophobicContact CZ-CG2 3.5Å; F60-T171 VanDerWaalsContact CZ-CG2 3.5Å; L167-T171 WeakPolarHBondContact O-CG2 3.24Å; L167-T171 PolarHBondContact O-N 2.81Å; L167-T171 PolarHBondContact O-OG1 3.42Å; T168-T171 PolarHBondContact O-N 3.41Å; T168-T171 PolarHBondContact O-OG1 3.32Å; W169-T171 PolarHBondContact O-N 3.48Å; T171-N173 VanDerWaalsContact C-N 3.34Å |
| 172 | S | 88.9 | Confident | 86.9 | Confident | 90 Ų | 90 | 56.5 Ų | 56.5 | 63% | 0.629 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -72.4 | -27.1 | 176.8 | -66.6 | 0 | 0 | 0 | 0 | 113.2 | T168 W169 | T168-S172 WeakPolarHBondContact O-CB 3.06Å; T168-S172 PolarHBondContact O-N 3.26Å; T168-S172 PolarHBondContact O-OG 2.91Å; T168-S172 VanDerWaalsContact O-OG 3.11Å; W169-S172 PolarHBondContact O-N 2.85Å |
| 173 | N | 89.1 | Confident | 86.3 | Confident | 54 Ų | 54 | 60 Ų | 60 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -100.8 | -5.4 | -177.7 | -71.2 | -82.9 | 0 | 0 | 0 | 113.8 | W169 L170 T171 K175 | W169-N173 VanDerWaalsContact CD1-ND2 3.32Å; W169-N173 HydrophobicContact CZ2-CB 4.3Å; W169-N173 PolarHBondContact NE1-ND2 2.63Å; W169-N173 WeakPolarHBondContact O-CB 3.43Å; W169-N173 PolarHBondContact O-N 3.25Å; W169-N173 PolarHBondContact O-ND2 2.93Å; L170-N173 PolarHBondContact O-N 2.81Å; T171-N173 VanDerWaalsContact C-N 3.34Å; N173-K175 PolarHBondContact O-N 2.84Å |
| 174 | Y | 81.6 | Confident | 85.7 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | trans | -74.7 | 111.5 | 167.9 | -179.4 | -107.3 | 0 | 0 | 0 | 110.6 | M15 Q83 I117 L170 | M15-Y174 VanDerWaalsContact CE-CB 3.47Å; M15-Y174 HydrophobicContact CE-CD1 3.82Å; M15-Y174 HydrophobicContact CE-CD2 3.63Å; M15-Y174 HydrophobicContact CE-CE2 4.4Å; M15-Y174 HydrophobicContact CE-CG 3.32Å; M15-Y174 HydrophobicContact CG-CD1 4Å; M15-Y174 HydrophobicContact CG-CE1 4.19Å; M15-Y174 HydrophobicContact CG-CG 4.47Å; M15-Y174 HydrophobicContact SD-CD1 3.63Å; M15-Y174 HydrophobicContact SD-CE1 4.4Å; M15-Y174 HydrophobicContact SD-CG 3.74Å; Q83-Y174 HydrophobicContact CB-CD2 4.33Å; Q83-Y174 HydrophobicContact CB-CE2 3.69Å; Q83-Y174 HydrophobicContact CG-CE2 4Å; Q83-Y174 PolarHBondContact NE2-OH 3.32Å; I117-Y174 HydrophobicContact CD1-CD2 4.37Å; L170-Y174 WeakPolarHBondContact O-CB 3.37Å; L170-Y174 PolarHBondContact O-N 3.28Å | ||
| 175 | K | 67.5 | Low | 85.3 | Confident | 185 Ų | 185 | 61.5 Ų | 61.5 | 80% | 0.804 | 33% | 0.333 | S | S | * | . | trans | -88.9 | 122.2 | 169.6 | -64.4 | -175.5 | -178.3 | 179 | 0 | 107.7 | N173 | N173-K175 PolarHBondContact O-N 2.84Š| ||
| 176 | S | 57.3 | Low | 84.5 | Confident | 136 Ų | 136 | 57.5 Ų | 57.5 | 95% | 0.951 | 32% | 0.318 | S | S | * | . | trans | -75.4 | 0 | 174.1 | -175.5 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 176 of 176 residues in 125.9 ms
(Link to these results)