| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.4 | Very low | 71.8 | Confident | 238 Ų | 238 | 113.5 Ų | 113.5 | 100% | 1.172 | 59% | 0.59 | S | S | * | * | 0 | 115 | 0 | -64.1 | 175.3 | -170.6 | 0 | 0 | 105.4 | E3 | M1-E3 PolarHBondContact O-N 3.19Å; M1-E3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | A | 47.2 | Very low | 74.1 | Confident | 104 Ų | 104 | 104.1 Ų | 104.1 | 86% | 0.86 | 54% | 0.542 | S | S | * | . | trans | -72.9 | 104.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | N4 | A2-N4 PolarHBondContact O-N 2.95Š| ||
| 3 | E | 52.2 | Low | 75.8 | Confident | 178 Ų | 178 | 96.1 Ų | 96.1 | 83% | 0.832 | 50% | 0.5 | S | S | * | . | trans | -55.6 | 129.7 | 169.3 | -72.6 | 178.1 | 159.6 | 0 | 0 | 107.9 | M1 E5 | M1-E3 PolarHBondContact O-N 3.19Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-E5 PolarHBondContact O-N 2.9Å | ||
| 4 | N | 61.3 | Low | 77.4 | Confident | 166 Ų | 166 | 89.3 Ų | 89.3 | 89% | 0.888 | 47% | 0.465 | S | S | * | . | trans | -51 | 103.5 | -178 | -88.8 | -19.8 | 0 | 0 | 0 | 110.2 | A2 | A2-N4 PolarHBondContact O-N 2.95Š| ||
| 5 | E | 62.5 | Low | 78.6 | Confident | 141 Ų | 141 | 83.3 Ų | 83.3 | 66% | 0.659 | 43% | 0.434 | S | S | * | . | trans | -61.7 | 136 | 173.5 | -70.7 | -157.3 | 111.6 | 0 | 0 | 109.5 | E3 Q7 K59 | E3-E5 PolarHBondContact O-N 2.9Å; E5-Q7 PolarHBondContact O-N 3.25Å; E5-Q7 VanDerWaalsContact O-N 3.14Å; E5-K59 IonicContact OE1-NZ 2.83Å; E5-K59 PolarHBondContact OE1-NZ 3.01Å | ||
| 6 | P | 66.4 | Low | 79.8 | Confident | 27 Ų | 27 | 78.2 Ų | 78.2 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | trans | -52.5 | 123 | 170.3 | -25.3 | 32.2 | 0 | 0 | 0 | 110 | V8 V50 A57 K59 | P6-V8 PolarHBondContact O-N 2.79Å; P6-V50 HydrophobicContact CG-CG1 4.03Å; P6-V50 HydrophobicContact CG-CG2 4.21Å; P6-A57 HydrophobicContact CB-CB 4.05Å; P6-A57 HydrophobicContact CG-CB 4.02Å; P6-K59 HydrophobicContact CB-CB 4.16Å; P6-K59 HydrophobicContact CG-CB 4.23Å | ||
| 7 | Q | 76.4 | Confident | 80.7 | Confident | 197 Ų | 197 | 74.9 Ų | 74.9 | 92% | 0.921 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -63.1 | -27.4 | 179.3 | -71.5 | -176.1 | -8.2 | 0 | 0 | 112.2 | E5 | E5-Q7 PolarHBondContact O-N 3.25Å; E5-Q7 VanDerWaalsContact O-N 3.14Å |
| 8 | V | 94.8 | Very high | 81.4 | Confident | 58 Ų | 58 | 72.2 Ų | 72.2 | 35% | 0.352 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.4 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | P6 F10 K59 I168 | P6-V8 PolarHBondContact O-N 2.79Å; V8-F10 HydrophobicContact CG1-CD2 4.35Å; V8-F10 HydrophobicContact CG1-CE1 4.45Å; V8-F10 HydrophobicContact CG1-CE2 3.46Å; V8-F10 VanDerWaalsContact CG1-CE2 3.46Å; V8-F10 HydrophobicContact CG1-CZ 3.51Å; V8-K59 PolarHBondContact O-N 3.04Å; V8-I168 HydrophobicContact CG1-CD1 3.93Å |
| 9 | Q | 96.9 | Very high | 82.1 | Confident | 94 Ų | 94 | 69.7 Ų | 69.7 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 144.9 | 177.1 | 62.2 | 178.2 | -9.2 | 0 | 0 | 112.4 | K59 N61 | Q9-K59 CarbonylContact C-O 3.59Å; Q9-K59 WeakPolarHBondContact CA-O 3.28Å; Q9-K59 HydrophobicContact CB-CB 4.01Å; Q9-K59 HydrophobicContact CB-CD 4.46Å; Q9-N61 PolarHBondContact OE1-ND2 2.96Å; Q9-N61 VanDerWaalsContact OE1-ND2 3.14Å |
| 10 | F | 98.2 | Very high | 82.8 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 9% | 0.088 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135.8 | 179.8 | -58.2 | -71.8 | 0 | 0 | 0 | 111.2 | V8 L12 I58 K59 Y60 N61 Q83 L167 I168 | V8-F10 HydrophobicContact CG1-CD2 4.35Å; V8-F10 HydrophobicContact CG1-CE1 4.45Å; V8-F10 HydrophobicContact CG1-CE2 3.46Å; V8-F10 VanDerWaalsContact CG1-CE2 3.46Å; V8-F10 HydrophobicContact CG1-CZ 3.51Å; F10-L12 PolarHBondContact O-N 3.24Å; F10-I58 HydrophobicContact CD2-CG2 3.71Å; F10-I58 HydrophobicContact CE2-CG2 3.76Å; F10-K59 PolarHBondContact N-O 2.96Å; F10-Y60 HydrophobicContact CB-CD1 3.93Å; F10-Y60 HydrophobicContact CB-CE1 4.08Å; F10-Y60 HydrophobicContact CD2-CE1 4.12Å; F10-Y60 HydrophobicContact CG-CE1 4.48Å; F10-Y60 CarbonylContact O-C 3.49Å; F10-Y60 WeakPolarHBondContact O-CA 3.37Å; F10-N61 PolarHBondContact O-N 2.83Å; F10-Q83 VanDerWaalsContact CA-OE1 3.26Å; F10-Q83 HydrophobicContact CB-CB 4.39Å; F10-Q83 HydrophobicContact CD1-CB 4.18Å; F10-L167 HydrophobicContact CB-CD1 4.11Å; F10-L167 HydrophobicContact CD1-CB 4.33Å; F10-L167 HydrophobicContact CD1-CD1 3.98Å; F10-L167 HydrophobicContact CD1-CD2 4.08Å; F10-L167 HydrophobicContact CD1-CG 4.37Å; F10-L167 HydrophobicContact CD2-CB 4.44Å; F10-L167 HydrophobicContact CD2-CD1 3.77Å; F10-L167 HydrophobicContact CE1-CB 3.88Å; F10-L167 HydrophobicContact CE1-CD1 4.36Å; F10-L167 HydrophobicContact CE1-CD2 4.22Å; F10-L167 HydrophobicContact CE1-CG 4.39Å; F10-L167 HydrophobicContact CE2-CB 3.97Å; F10-L167 HydrophobicContact CE2-CD1 4.14Å; F10-L167 HydrophobicContact CG-CD1 3.69Å; F10-L167 HydrophobicContact CZ-CB 3.69Å; F10-L167 HydrophobicContact CZ-CD1 4.44Å; F10-I168 HydrophobicContact CE2-CD1 4.03Å; F10-I168 HydrophobicContact CZ-CD1 3.87Å |
| 11 | K | 98.1 | Very high | 83.4 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 11% | 0.109 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 114.6 | 165 | 179.4 | 171.1 | 171.8 | 173.4 | 0 | 109 | W63 Y78 I80 Q83 C84 | K11-W63 HydrophobicContact CD-CD2 4.47Å; K11-W63 HydrophobicContact CD-CZ2 4.32Å; K11-W63 HydrophobicContact CG-CG 4.48Å; K11-Y78 WeakPolarHBondContact CE-O 3.27Å; K11-Y78 PolarHBondContact NZ-O 2.85Å; K11-I80 PolarHBondContact NZ-O 2.84Å; K11-Q83 PolarHBondContact O-N 3.12Å; K11-C84 PolarHBondContact O-N 2.93Å |
| 12 | L | 98.5 | Very high | 86.3 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.4 | 173.5 | -173.3 | 155 | 0 | 0 | 0 | 108.7 | F10 L14 Y60 N61 V62 W63 C84 I86 F160 L163 | F10-L12 PolarHBondContact O-N 3.24Å; L12-L14 HydrophobicContact CD2-CB 4.22Å; L12-Y60 HydrophobicContact CB-CD1 4.04Å; L12-Y60 HydrophobicContact CD1-CD1 3.86Å; L12-Y60 HydrophobicContact CD1-CE1 4.27Å; L12-Y60 HydrophobicContact CD1-CG 4.24Å; L12-N61 PolarHBondContact N-O 3.27Å; L12-V62 HydrophobicContact CB-CG2 4.32Å; L12-V62 HydrophobicContact CD2-CG1 3.89Å; L12-V62 HydrophobicContact CD2-CG2 4.27Å; L12-V62 CarbonylContact O-C 3.6Å; L12-V62 WeakPolarHBondContact O-CA 3.37Å; L12-W63 PolarHBondContact O-N 3.43Å; L12-C84 WeakPolarHBondContact CA-O 3.48Å; L12-C84 VanDerWaalsContact CB-SG 3.56Å; L12-I86 HydrophobicContact CD1-CD1 4.09Å; L12-I86 HydrophobicContact CD1-CG1 4.31Å; L12-I86 HydrophobicContact CD2-CB 4.49Å; L12-I86 HydrophobicContact CD2-CD1 4.22Å; L12-I86 HydrophobicContact CD2-CG1 4.21Å; L12-F160 HydrophobicContact CD1-CD1 4.09Å; L12-F160 HydrophobicContact CD1-CE1 3.83Å; L12-L163 HydrophobicContact CD1-CD1 3.53Å; L12-L163 HydrophobicContact CG-CD1 4.39Å |
| 13 | V | 97.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.4 | 172.4 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | W63 Y79 A82 C84 A85 I86 L107 | V13-W63 HydrophobicContact CG1-CB 4.19Å; V13-Y79 HydrophobicContact CB-CD1 4.45Å; V13-Y79 HydrophobicContact CG1-CD1 4.46Å; V13-Y79 HydrophobicContact CG2-CD1 4.39Å; V13-A82 HydrophobicContact CB-CB 4.41Å; V13-A82 HydrophobicContact CG1-CB 3.71Å; V13-A82 HydrophobicContact CG2-CB 3.82Å; V13-C84 PolarHBondContact N-O 2.95Å; V13-A85 HydrophobicContact CG2-CB 3.55Å; V13-A85 CarbonylContact O-C 3.59Å; V13-A85 VanDerWaalsContact O-CA 3.23Å; V13-A85 WeakPolarHBondContact O-CA 3.12Å; V13-A85 WeakPolarHBondContact O-CB 3.44Å; V13-I86 PolarHBondContact O-N 3.36Å; V13-L107 HydrophobicContact CG2-CD1 3.48Å; V13-L107 VanDerWaalsContact CG2-CD1 3.48Å |
| 14 | L | 97.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 112.3 | 178.5 | 176.9 | 61 | 0 | 0 | 0 | 109 | L12 K22 F25 V26 V62 W63 T65 I86 M88 | L12-L14 HydrophobicContact CD2-CB 4.22Å; L14-K22 HydrophobicContact CD1-CB 4.49Å; L14-K22 HydrophobicContact CD1-CD 4.42Å; L14-K22 HydrophobicContact CD1-CG 4.16Å; L14-K22 HydrophobicContact CD2-CB 3.63Å; L14-K22 HydrophobicContact CD2-CG 4.19Å; L14-K22 HydrophobicContact CG-CB 3.85Å; L14-K22 HydrophobicContact CG-CD 4Å; L14-K22 HydrophobicContact CG-CG 3.9Å; L14-F25 HydrophobicContact CD2-CD1 4.41Å; L14-V26 HydrophobicContact CD2-CG2 3.27Å; L14-V62 HydrophobicContact CB-CG1 4.11Å; L14-V62 HydrophobicContact CD2-CG1 4.46Å; L14-W63 PolarHBondContact N-O 3.09Å; L14-T65 PolarHBondContact O-N 3.05Å; L14-T65 PolarHBondContact O-OG1 3.45Å; L14-I86 WeakPolarHBondContact CA-O 3.38Å; L14-I86 HydrophobicContact CD1-CB 3.67Å; L14-I86 HydrophobicContact CD1-CG2 3.58Å; L14-M88 HydrophobicContact CD1-CB 4.42Å; L14-M88 HydrophobicContact CD1-CE 4.21Å |
| 15 | V | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 166 | -172 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | K22 T65 Y79 I86 I87 M88 W103 | V15-K22 VanDerWaalsContact C-CD 3.47Å; V15-T65 HydrophobicContact CG1-CG2 4.46Å; V15-Y79 HydrophobicContact CG1-CD1 4.43Å; V15-Y79 HydrophobicContact CG1-CE1 3.5Å; V15-I86 PolarHBondContact N-O 3.04Å; V15-I87 HydrophobicContact CG2-CB 4.21Å; V15-I87 HydrophobicContact CG2-CG1 3.7Å; V15-I87 HydrophobicContact CG2-CG2 4.28Å; V15-I87 WeakPolarHBondContact O-CA 3.3Å; V15-M88 PolarHBondContact O-N 3.46Å; V15-W103 HydrophobicContact CB-CD2 4.41Å; V15-W103 HydrophobicContact CB-CE3 3.82Å; V15-W103 HydrophobicContact CB-CZ3 4.26Å; V15-W103 HydrophobicContact CG1-CE3 4.47Å; V15-W103 HydrophobicContact CG2-CB 4.31Å; V15-W103 HydrophobicContact CG2-CE3 4.43Å |
| 16 | G | 96.7 | Very high | 93.6 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | trans | 134.2 | 167.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K22 G67 M88 W103 | G16-K22 WeakPolarHBondContact O-CE 3.37Å; G16-K22 PolarHBondContact O-NZ 3.32Å; G16-G67 WeakPolarHBondContact O-CA 3.39Å; G16-M88 WeakPolarHBondContact CA-O 3.44Å; G16-W103 VanDerWaalsContact C-CE2 3.43Å; G16-W103 VanDerWaalsContact C-CZ2 3.49Å; G16-W103 WeakPolarHBondContact O-CZ2 3.46Å | ||
| 17 | D | 95.6 | Very high | 94.7 | Very high | 23 Ų | 23 | 28.7 Ų | 28.7 | 12% | 0.123 | 16% | 0.157 | C | C | . | . | trans | -56.2 | 160 | -174.3 | -78.5 | 14.3 | 0 | 0 | 0 | 113.9 | T20 K22 G67 T96 N99 W103 | D17-T20 HydrophobicContact CB-CG2 3.83Å; D17-T20 WeakPolarHBondContact O-CG2 3.34Å; D17-T20 PolarHBondContact O-OG1 3.1Å; D17-K22 PolarHBondContact O-NZ 2.92Å; D17-G67 CarbonylContact C-O 3.57Å; D17-T96 HydrophobicContact CB-CG2 3.84Å; D17-T96 WeakPolarHBondContact OD2-CA 3.36Å; D17-N99 WeakPolarHBondContact OD1-CB 3.35Å; D17-N99 PolarHBondContact OD2-ND2 3.29Å; D17-W103 PolarHBondContact OD1-NE1 2.88Å | ||
| 18 | G | 93.9 | Very high | 95.4 | Very high | 26 Ų | 26 | 19.4 Ų | 19.4 | 27% | 0.268 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 139.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T20 G67 | G18-T20 VanDerWaalsContact C-N 3.28Å; G18-T20 PolarHBondContact O-N 2.95Å; G18-G67 VanDerWaalsContact N-C 3.33Å; G18-G67 PolarHBondContact N-O 2.92Å |
| 19 | G | 93.9 | Very high | 95.1 | Very high | 25 Ų | 25 | 17.4 Ų | 17.4 | 26% | 0.258 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G21 K122 | G19-G21 PolarHBondContact O-N 3.16Å; G19-K122 WeakPolarHBondContact O-CE 3.38Å; G19-K122 PolarHBondContact O-NZ 2.72Å |
| 20 | T | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -68.9 | -18.8 | 175.9 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | D17 G18 D90 T96 N121 | D17-T20 HydrophobicContact CB-CG2 3.83Å; D17-T20 WeakPolarHBondContact O-CG2 3.34Å; D17-T20 PolarHBondContact O-OG1 3.1Å; G18-T20 VanDerWaalsContact C-N 3.28Å; G18-T20 PolarHBondContact O-N 2.95Å; T20-D90 HydrophobicContact CG2-CB 4.34Å; T20-T96 HydrophobicContact CG2-CG2 3.88Å; T20-N121 PolarHBondContact O-ND2 3.44Å |
| 21 | G | 95.7 | Very high | 93.8 | Very high | 13 Ų | 13 | 19.5 Ų | 19.5 | 13% | 0.134 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 105.2 | 16.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G19 T24 F25 | G19-G21 PolarHBondContact O-N 3.16Å; G21-T24 PolarHBondContact O-N 3.05Å; G21-F25 WeakPolarHBondContact O-CB 3.42Å; G21-F25 PolarHBondContact O-N 3.32Å |
| 22 | K | 96.2 | Very high | 93 | Very high | 9 Ų | 9 | 18.3 Ų | 18.3 | 4% | 0.039 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -51.2 | -57.6 | 179 | -62.7 | -174.3 | -52.2 | -72.3 | 0 | 113.2 | L14 V15 G16 D17 T24 F25 V26 D64 T65 M88 | L14-K22 HydrophobicContact CD1-CB 4.49Å; L14-K22 HydrophobicContact CD1-CD 4.42Å; L14-K22 HydrophobicContact CD1-CG 4.16Å; L14-K22 HydrophobicContact CD2-CB 3.63Å; L14-K22 HydrophobicContact CD2-CG 4.19Å; L14-K22 HydrophobicContact CG-CB 3.85Å; L14-K22 HydrophobicContact CG-CD 4Å; L14-K22 HydrophobicContact CG-CG 3.9Å; V15-K22 VanDerWaalsContact C-CD 3.47Å; G16-K22 WeakPolarHBondContact O-CE 3.37Å; G16-K22 PolarHBondContact O-NZ 3.32Å; D17-K22 PolarHBondContact O-NZ 2.92Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 3.42Å; K22-F25 WeakPolarHBondContact O-CB 3.31Å; K22-F25 PolarHBondContact O-N 3.2Å; K22-F25 VanDerWaalsContact O-N 3.11Å; K22-V26 WeakPolarHBondContact O-CG2 3.38Å; K22-V26 PolarHBondContact O-N 2.93Å; K22-D64 VanDerWaalsContact CB-OD1 3.29Å; K22-D64 WeakPolarHBondContact CB-OD1 3.47Å; K22-T65 WeakPolarHBondContact CE-O 3.36Å; K22-M88 HydrophobicContact CG-CB 4.07Å; K22-M88 HydrophobicContact CG-SD 4.1Å |
| 23 | T | 94.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 24.8 Ų | 24.8 | 14% | 0.135 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 179 | -46.5 | 0 | 0 | 0 | 0 | 112.3 | F25 V26 K27 T41 D64 | T23-F25 VanDerWaalsContact C-N 3.31Å; T23-F25 PolarHBondContact O-N 3.44Å; T23-V26 PolarHBondContact O-N 3.39Å; T23-K27 HydrophobicContact CG2-CD 4.15Å; T23-K27 HydrophobicContact CG2-CG 4.21Å; T23-K27 WeakPolarHBondContact O-CB 3.39Å; T23-K27 WeakPolarHBondContact O-CG 3.4Å; T23-K27 PolarHBondContact O-N 3.04Å; T23-T41 PolarHBondContact OG1-OG1 3.35Å; T23-D64 VanDerWaalsContact CA-OD2 3.26Å; T23-D64 WeakPolarHBondContact CA-OD2 3.42Å; T23-D64 VanDerWaalsContact CB-OD2 3.24Å; T23-D64 WeakPolarHBondContact CB-OD2 3.28Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.31Å; T23-D64 PolarHBondContact OG1-OD2 3.3Å |
| 24 | T | 93.9 | Very high | 91.3 | Very high | 23 Ų | 23 | 27.1 Ų | 27.1 | 14% | 0.141 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 175.9 | -51.3 | 0 | 0 | 0 | 0 | 111.5 | G21 K22 R28 F34 E35 A150 | G21-T24 PolarHBondContact O-N 3.05Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 3.42Å; T24-R28 WeakPolarHBondContact O-CB 3.46Å; T24-R28 PolarHBondContact O-N 3.21Å; T24-F34 HydrophobicContact CG2-CD2 3.51Å; T24-F34 HydrophobicContact CG2-CE2 3.39Å; T24-F34 HydrophobicContact CG2-CG 4.33Å; T24-F34 HydrophobicContact CG2-CZ 4.14Å; T24-E35 HydrophobicContact CG2-CB 4.37Å; T24-A150 HydrophobicContact CG2-CB 4.22Å |
| 25 | F | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 177.2 | 177.1 | -96.7 | 0 | 0 | 0 | 112.4 | L14 G21 K22 T23 H29 I86 M88 I148 A150 F156 P159 F160 | L14-F25 HydrophobicContact CD2-CD1 4.41Å; G21-F25 WeakPolarHBondContact O-CB 3.42Å; G21-F25 PolarHBondContact O-N 3.32Å; K22-F25 WeakPolarHBondContact O-CB 3.31Å; K22-F25 PolarHBondContact O-N 3.2Å; K22-F25 VanDerWaalsContact O-N 3.11Å; T23-F25 VanDerWaalsContact C-N 3.31Å; T23-F25 PolarHBondContact O-N 3.44Å; F25-H29 AromaticContact CE2-CE1 3.69Å; F25-H29 AromaticContact CZ-CE1 3.57Å; F25-H29 PolarHBondContact O-N 3.29Å; F25-H29 PolarHBondContact O-ND1 3.16Å; F25-I86 HydrophobicContact CE1-CD1 4.09Å; F25-M88 HydrophobicContact CB-CE 3.75Å; F25-M88 HydrophobicContact CD1-CE 3.96Å; F25-M88 HydrophobicContact CD2-CE 4.15Å; F25-M88 HydrophobicContact CG-CE 3.7Å; F25-I148 HydrophobicContact CD2-CD1 3.67Å; F25-I148 HydrophobicContact CE2-CD1 3.65Å; F25-I148 HydrophobicContact CZ-CD1 4.47Å; F25-A150 HydrophobicContact CB-CB 4.26Å; F25-F156 HydrophobicContact CB-CE2 4.45Å; F25-F156 AromaticContact CD2-CD2 3.6Å; F25-F156 HydrophobicContact CD2-CD2 3.6Å; F25-F156 AromaticContact CD2-CE2 3.23Å; F25-F156 HydrophobicContact CD2-CE2 3.23Å; F25-F156 HydrophobicContact CD2-CZ 4.14Å; F25-F156 AromaticContact CE2-CD2 3.53Å; F25-F156 HydrophobicContact CE2-CD2 3.53Å; F25-F156 AromaticContact CE2-CE2 3.61Å; F25-F156 HydrophobicContact CE2-CE2 3.61Å; F25-F156 HydrophobicContact CE2-CG 4.34Å; F25-F156 HydrophobicContact CE2-CZ 4.47Å; F25-F156 HydrophobicContact CG-CE2 4.02Å; F25-F156 WeakPolarHBondContact O-CZ 3.48Å; F25-P159 HydrophobicContact CZ-CG 4.37Å; F25-F160 AromaticContact CE1-CE2 3.43Å; F25-F160 HydrophobicContact CE1-CE2 3.43Å; F25-F160 VanDerWaalsContact CE1-CE2 3.43Å; F25-F160 AromaticContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CZ-CD2 4.24Å; F25-F160 AromaticContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CE2 3.45Å; F25-F160 VanDerWaalsContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CZ 4.2Å |
| 26 | V | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.6 | -52.9 | 177.7 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | L14 K22 T23 R28 H29 L30 H47 V62 D64 | L14-V26 HydrophobicContact CD2-CG2 3.27Å; K22-V26 WeakPolarHBondContact O-CG2 3.38Å; K22-V26 PolarHBondContact O-N 2.93Å; T23-V26 PolarHBondContact O-N 3.39Å; V26-R28 PolarHBondContact O-N 3.07Å; V26-H29 WeakPolarHBondContact O-CB 3.3Å; V26-H29 PolarHBondContact O-N 3.49Å; V26-L30 PolarHBondContact O-N 3.39Å; V26-H47 HydrophobicContact CG1-CB 3.45Å; V26-H47 VanDerWaalsContact CG1-CB 3.45Å; V26-V62 HydrophobicContact CG1-CB 4.46Å; V26-V62 HydrophobicContact CG1-CG1 4.32Å; V26-V62 HydrophobicContact CG2-CG1 3.64Å; V26-D64 HydrophobicContact CG2-CB 4.42Å |
| 27 | K | 90.1 | Very high | 89.3 | Confident | 64 Ų | 64 | 45.3 Ų | 45.3 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.6 | -38.6 | 179.8 | -75.7 | -169.2 | 178.8 | -169.8 | 0 | 111.6 | T23 H29 L30 T31 E35 | T23-K27 HydrophobicContact CG2-CD 4.15Å; T23-K27 HydrophobicContact CG2-CG 4.21Å; T23-K27 WeakPolarHBondContact O-CB 3.39Å; T23-K27 WeakPolarHBondContact O-CG 3.4Å; T23-K27 PolarHBondContact O-N 3.04Å; K27-H29 VanDerWaalsContact C-N 3.34Å; K27-H29 PolarHBondContact O-N 3.45Å; K27-L30 WeakPolarHBondContact O-CB 3.29Å; K27-L30 PolarHBondContact O-N 3.3Å; K27-T31 PolarHBondContact O-N 3.21Å; K27-T31 PolarHBondContact O-OG1 2.93Å; K27-E35 HydrophobicContact CD-CB 4.44Å; K27-E35 IonicContact NZ-OE2 2.78Å; K27-E35 PolarHBondContact NZ-OE2 3.38Å |
| 28 | R | 89.7 | Confident | 88.8 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.5 | -29.1 | 179.5 | -178.8 | 162.2 | -145.8 | -179.1 | -3.5 | 113.8 | T24 V26 L30 G32 E33 A150 K151 N153 F156 L181 A182 P183 P184 | T24-R28 WeakPolarHBondContact O-CB 3.46Å; T24-R28 PolarHBondContact O-N 3.21Å; V26-R28 PolarHBondContact O-N 3.07Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-G32 PolarHBondContact NE-O 2.73Å; R28-G32 WeakPolarHBondContact O-CA 3.37Å; R28-G32 PolarHBondContact O-N 2.87Å; R28-G32 VanDerWaalsContact O-N 3.09Å; R28-E33 WeakPolarHBondContact CA-O 3.44Å; R28-E33 WeakPolarHBondContact CB-O 3.21Å; R28-A150 WeakPolarHBondContact CD-O 3.46Å; R28-A150 PolarHBondContact NH1-O 2.99Å; R28-K151 VanDerWaalsContact NH1-CA 3.35Å; R28-K151 PolarHBondContact NH1-O 3.5Å; R28-N153 WeakPolarHBondContact CD-OD1 3.5Å; R28-N153 PolarHBondContact NE-OD1 3.1Å; R28-N153 PolarHBondContact NH1-OD1 2.96Å; R28-F156 HydrophobicContact CB-CE1 4.22Å; R28-F156 HydrophobicContact CB-CE2 4.46Å; R28-F156 HydrophobicContact CB-CZ 3.6Å; R28-F156 HydrophobicContact CG-CE1 3.86Å; R28-F156 HydrophobicContact CG-CE2 4.44Å; R28-F156 HydrophobicContact CG-CZ 3.6Å; R28-L181 WeakPolarHBondContact O-CD2 3.46Å; R28-A182 PolarHBondContact NH2-O 3.18Å; R28-P183 PolarHBondContact NH2-O 2.82Å; R28-P184 VanDerWaalsContact NH2-CA 3.31Å |
| 29 | H | 88.7 | Confident | 88.5 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.3 | -31.4 | 167 | -78.3 | 90.8 | 0 | 0 | 0 | 112.5 | F25 V26 K27 L49 F51 F156 F160 | F25-H29 AromaticContact CE2-CE1 3.69Å; F25-H29 AromaticContact CZ-CE1 3.57Å; F25-H29 PolarHBondContact O-N 3.29Å; F25-H29 PolarHBondContact O-ND1 3.16Å; V26-H29 WeakPolarHBondContact O-CB 3.3Å; V26-H29 PolarHBondContact O-N 3.49Å; K27-H29 VanDerWaalsContact C-N 3.34Å; K27-H29 PolarHBondContact O-N 3.45Å; H29-L49 HydrophobicContact CB-CD1 3.58Å; H29-L49 HydrophobicContact CB-CD2 3.76Å; H29-L49 HydrophobicContact CB-CG 4.3Å; H29-F51 AromaticContact CD2-CE1 3.98Å; H29-F51 AromaticContact CD2-CZ 3.7Å; H29-F156 HydrophobicContact CB-CE1 4.26Å; H29-F156 AromaticContact CD2-CD1 3.8Å; H29-F156 AromaticContact CD2-CE1 3.6Å; H29-F156 AromaticContact CE1-CD1 3.09Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.26Å; H29-F156 AromaticContact CE1-CD2 3.7Å; H29-F156 AromaticContact CE1-CE1 2.95Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.4Å; H29-F156 AromaticContact CE1-CE2 3.56Å; H29-F156 AromaticContact CE1-CG 3.46Å; H29-F156 VanDerWaalsContact CE1-CG 3.46Å; H29-F156 WeakPolarHBondContact CE1-CG 3.15Å; H29-F156 AromaticContact CE1-CZ 3.16Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.39Å; H29-F156 PolarHBondContact CE1-O 3.18Å; H29-F156 AromaticContact CG-CE1 3.39Å; H29-F156 AromaticContact CG-CZ 3.83Å; H29-F156 AromaticContact ND1-CD1 3.69Å; H29-F156 AromaticContact ND1-CE1 3.02Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.41Å; H29-F156 AromaticContact ND1-CE2 3.78Å; H29-F156 AromaticContact ND1-CZ 3.03Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.21Å; H29-F156 AromaticContact NE2-CD1 3.19Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.5Å; H29-F156 AromaticContact NE2-CE1 3.36Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.39Å; H29-F156 AromaticContact NE2-CG 3.78Å; H29-F156 PolarHBondContact NE2-O 3.05Å; H29-F160 AromaticContact CD2-CE2 3.92Å; H29-F160 AromaticContact CE1-CD2 3.94Å; H29-F160 AromaticContact CE1-CE2 3.3Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.34Å; H29-F160 AromaticContact ND1-CE2 3.72Å; H29-F160 AromaticContact NE2-CD2 3.62Å; H29-F160 AromaticContact NE2-CE2 3.41Å; H29-F160 WeakPolarHBondContact NE2-CE2 3.23Å |
| 30 | L | 86.2 | Confident | 88.1 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 42% | 0.419 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -79.9 | -48.4 | -175 | -174.7 | 65.9 | 0 | 0 | 0 | 112.9 | V26 K27 R28 H47 L49 | V26-L30 PolarHBondContact O-N 3.39Å; K27-L30 WeakPolarHBondContact O-CB 3.29Å; K27-L30 PolarHBondContact O-N 3.3Å; R28-L30 VanDerWaalsContact C-N 3.34Å; L30-H47 WeakPolarHBondContact CD2-ND1 3.17Å; L30-L49 HydrophobicContact CB-CD2 3.9Å; L30-L49 HydrophobicContact CD1-CD2 4.07Å |
| 31 | T | 83 | Confident | 87.4 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -116.6 | -7.8 | -172.2 | 68.2 | 0 | 0 | 0 | 0 | 113.1 | K27 E33 | K27-T31 PolarHBondContact O-N 3.21Å; K27-T31 PolarHBondContact O-OG1 2.93Å; T31-E33 PolarHBondContact O-N 2.66Å; T31-E33 WeakPolarHBondContact OG1-CB 3.43Å; T31-E33 PolarHBondContact OG1-N 3.07Å |
| 32 | G | 80.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 77.5 | -18.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R28 A182 | R28-G32 PolarHBondContact NE-O 2.73Å; R28-G32 WeakPolarHBondContact O-CA 3.37Å; R28-G32 PolarHBondContact O-N 2.87Å; R28-G32 VanDerWaalsContact O-N 3.09Å; G32-A182 WeakPolarHBondContact O-CB 3.14Å; G32-A182 PolarHBondContact O-N 3.28Å |
| 33 | E | 79.2 | Confident | 86.5 | Confident | 136 Ų | 136 | 59.4 Ų | 59.4 | 64% | 0.636 | 30% | 0.296 | S | S | * | . | trans | -75.9 | 145.3 | -172.5 | -61 | -177.1 | 163.2 | 0 | 0 | 112.9 | R28 T31 | R28-E33 WeakPolarHBondContact CA-O 3.44Å; R28-E33 WeakPolarHBondContact CB-O 3.21Å; T31-E33 PolarHBondContact O-N 2.66Å; T31-E33 WeakPolarHBondContact OG1-CB 3.43Å; T31-E33 PolarHBondContact OG1-N 3.07Å | ||
| 34 | F | 80.9 | Confident | 86.3 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | trans | -94.7 | 116.8 | 172.3 | -177 | -96.7 | 0 | 0 | 0 | 110.9 | T24 K36 A150 K151 E185 | T24-F34 HydrophobicContact CG2-CD2 3.51Å; T24-F34 HydrophobicContact CG2-CE2 3.39Å; T24-F34 HydrophobicContact CG2-CG 4.33Å; T24-F34 HydrophobicContact CG2-CZ 4.14Å; F34-K36 HydrophobicContact CD1-CG 3.84Å; F34-K36 HydrophobicContact CE1-CG 4.1Å; F34-K36 PolarHBondContact O-N 3.45Å; F34-A150 WeakPolarHBondContact CD2-O 3.03Å; F34-K151 HydrophobicContact CD2-CB 4.3Å; F34-K151 HydrophobicContact CD2-CG 4.36Å; F34-K151 HydrophobicContact CE1-CD 4.49Å; F34-K151 HydrophobicContact CE1-CG 4.28Å; F34-K151 VanDerWaalsContact CE2-CA 3.45Å; F34-K151 HydrophobicContact CE2-CB 3.6Å; F34-K151 HydrophobicContact CE2-CG 3.85Å; F34-K151 HydrophobicContact CZ-CB 3.91Å; F34-K151 HydrophobicContact CZ-CD 4.11Å; F34-K151 HydrophobicContact CZ-CG 3.79Å; F34-E185 HydrophobicContact CB-CG 3.78Å; F34-E185 HydrophobicContact CD1-CG 3.98Å; F34-E185 VanDerWaalsContact CD1-OE1 3.26Å; F34-E185 WeakPolarHBondContact CD1-OE1 3.41Å; F34-E185 WeakPolarHBondContact CD1-OE2 3.25Å; F34-E185 HydrophobicContact CG-CG 3.98Å | ||
| 35 | E | 80.8 | Confident | 86.2 | Confident | 67 Ų | 67 | 63 Ų | 63 | 31% | 0.313 | 31% | 0.312 | S | S | . | . | trans | -75.8 | 104 | 174.8 | -176.3 | 70.1 | -107.1 | 0 | 0 | 110.6 | T24 K27 K37 | T24-E35 HydrophobicContact CG2-CB 4.37Å; K27-E35 HydrophobicContact CD-CB 4.44Å; K27-E35 IonicContact NZ-OE2 2.78Å; K27-E35 PolarHBondContact NZ-OE2 3.38Å; E35-K37 WeakPolarHBondContact CG-O 3.18Å | ||
| 36 | K | 82.4 | Confident | 86.2 | Confident | 163 Ų | 163 | 66.3 Ų | 66.3 | 71% | 0.709 | 33% | 0.332 | S | S | * | . | trans | -74.8 | -33.8 | 178.9 | -66.9 | -177.8 | -177.1 | 177.2 | 0 | 113.2 | F34 E185 | F34-K36 HydrophobicContact CD1-CG 3.84Å; F34-K36 HydrophobicContact CE1-CG 4.1Å; F34-K36 PolarHBondContact O-N 3.45Å; K36-E185 VanDerWaalsContact CE-CD 3.44Å; K36-E185 WeakPolarHBondContact CE-OE1 3.4Å; K36-E185 WeakPolarHBondContact CE-OE2 3.43Å; K36-E185 IonicContact NZ-OE1 3.67Å | ||
| 37 | K | 85.7 | Confident | 86.2 | Confident | 154 Ų | 154 | 67.4 Ų | 67.4 | 67% | 0.67 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -91.1 | 124.9 | -174 | -173.8 | 178.9 | 178.2 | -177.4 | 0 | 109.5 | E35 V39 | E35-K37 WeakPolarHBondContact CG-O 3.18Å; K37-V39 HydrophobicContact CD-CG2 4.32Å; K37-V39 HydrophobicContact CG-CG2 4.27Å; K37-V39 PolarHBondContact O-N 3.33Å |
| 38 | Y | 85.3 | Confident | 86.4 | Confident | 124 Ų | 124 | 67.6 Ų | 67.6 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | trans | -72.6 | 113.4 | 170 | 179.8 | -116.2 | 0 | 0 | 0 | 110.1 | A40 Q68 | Y38-A40 HydrophobicContact CE1-CB 4.27Å; Y38-Q68 PolarHBondContact OH-NE2 3.27Å | ||
| 39 | V | 85.9 | Confident | 86.6 | Confident | 94 Ų | 94 | 67.9 Ų | 67.9 | 57% | 0.57 | 35% | 0.346 | S | S | * | . | trans | -117.1 | 122.4 | 164.5 | -177.4 | 0 | 0 | 0 | 0 | 106.2 | K37 T41 | K37-V39 HydrophobicContact CD-CG2 4.32Å; K37-V39 HydrophobicContact CG-CG2 4.27Å; K37-V39 PolarHBondContact O-N 3.33Å; V39-T41 PolarHBondContact O-N 2.86Å | ||
| 40 | A | 86.5 | Confident | 86.9 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 21% | 0.207 | 36% | 0.36 | C | S | . | . | trans | -67.8 | 127.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y38 L42 F71 | Y38-A40 HydrophobicContact CE1-CB 4.27Å; A40-L42 PolarHBondContact O-N 3.46Å; A40-F71 HydrophobicContact CB-CD2 4.03Å; A40-F71 HydrophobicContact CB-CE2 3.9Å | ||
| 41 | T | 82.9 | Confident | 87.2 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | trans | -58.4 | 133 | 171.2 | -39 | 0 | 0 | 0 | 0 | 109.8 | T23 V39 E45 D64 A66 | T23-T41 PolarHBondContact OG1-OG1 3.35Å; V39-T41 PolarHBondContact O-N 2.86Å; T41-E45 HydrophobicContact CG2-CG 4.1Å; T41-D64 PolarHBondContact OG1-OD2 3.18Å; T41-A66 WeakPolarHBondContact O-CB 3.35Å | ||
| 42 | L | 85.2 | Confident | 87.7 | Confident | 125 Ų | 125 | 66.6 Ų | 66.6 | 65% | 0.654 | 34% | 0.337 | S | S | * | . | trans | -97.5 | 112.7 | 174.9 | -62.2 | 177.8 | 0 | 0 | 0 | 108.7 | A40 V44 F71 | A40-L42 PolarHBondContact O-N 3.46Å; L42-V44 PolarHBondContact O-N 3Å; L42-F71 HydrophobicContact CD2-CD1 3.72Å; L42-F71 HydrophobicContact CD2-CE1 4.02Å; L42-F71 HydrophobicContact CD2-CG 4.06Å | ||
| 43 | G | 86.4 | Confident | 88.4 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 13% | 0.134 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 67.7 | -101.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A66 F71 Y78 | G43-A66 WeakPolarHBondContact O-CB 3.46Å; G43-A66 PolarHBondContact O-N 2.94Å; G43-F71 PolarHBondContact N-O 3.16Å; G43-Y78 VanDerWaalsContact CA-OH 3.24Å; G43-Y78 WeakPolarHBondContact CA-OH 3.47Å |
| 44 | V | 90.4 | Very high | 89.2 | Confident | 40 Ų | 40 | 63.1 Ų | 63.1 | 24% | 0.242 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 141.7 | -179.2 | 67.9 | 0 | 0 | 0 | 0 | 111.4 | L42 V46 W63 D64 T65 Y78 | L42-V44 PolarHBondContact O-N 3Å; V44-V46 HydrophobicContact CG2-CG2 4.47Å; V44-W63 HydrophobicContact CG1-CE3 4.41Å; V44-W63 HydrophobicContact CG2-CB 3.84Å; V44-W63 HydrophobicContact CG2-CD2 4.29Å; V44-W63 HydrophobicContact CG2-CE3 3.89Å; V44-W63 HydrophobicContact CG2-CG 4.34Å; V44-D64 VanDerWaalsContact CA-O 3.3Å; V44-D64 WeakPolarHBondContact CA-O 3.47Å; V44-D64 WeakPolarHBondContact CG2-O 3.18Å; V44-T65 HydrophobicContact CG2-CG2 4.31Å; V44-Y78 HydrophobicContact CB-CD1 3.86Å; V44-Y78 HydrophobicContact CB-CE1 3.7Å; V44-Y78 HydrophobicContact CB-CE2 4.49Å; V44-Y78 HydrophobicContact CB-CG 4.35Å; V44-Y78 HydrophobicContact CG1-CD1 3.64Å; V44-Y78 HydrophobicContact CG1-CE1 3.27Å; V44-Y78 HydrophobicContact CG2-CD1 4.43Å |
| 45 | E | 92.6 | Very high | 89.9 | Confident | 80 Ų | 80 | 67.6 Ų | 67.6 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.7 | 163.2 | -66.4 | -177.7 | -174.2 | 0 | 0 | 109.5 | T41 H47 D64 | T41-E45 HydrophobicContact CG2-CG 4.1Å; E45-H47 VanDerWaalsContact CB-NE2 3.33Å; E45-H47 WeakPolarHBondContact CB-NE2 3.46Å; E45-H47 IonicContact OE2-CE1 3.16Å; E45-H47 PolarHBondContact OE2-CE1 3.27Å; E45-H47 IonicContact OE2-NE2 3.63Å; E45-H47 PolarHBondContact OE2-NE2 2.89Å; E45-D64 PolarHBondContact N-O 3.22Å; E45-D64 PolarHBondContact O-N 2.99Å |
| 46 | V | 94.6 | Very high | 90.5 | Very high | 70 Ų | 70 | 66.3 Ų | 66.3 | 42% | 0.424 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120 | -179.4 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | V44 N61 V62 W63 | V44-V46 HydrophobicContact CG2-CG2 4.47Å; V46-N61 HydrophobicContact CG1-CB 4.35Å; V46-V62 CarbonylContact C-O 3.6Å; V46-V62 WeakPolarHBondContact CA-O 3.46Å; V46-W63 HydrophobicContact CG2-CD2 3.91Å; V46-W63 HydrophobicContact CG2-CE3 4.49Å; V46-W63 HydrophobicContact CG2-CG 4.05Å; V46-W63 HydrophobicContact CG2-CZ2 4.33Å |
| 47 | H | 94.4 | Very high | 91.1 | Very high | 23 Ų | 23 | 60 Ų | 60 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 117.4 | -175.7 | -64 | -82.3 | 0 | 0 | 0 | 110.2 | V26 L30 E45 L49 V62 | V26-H47 HydrophobicContact CG1-CB 3.45Å; V26-H47 VanDerWaalsContact CG1-CB 3.45Å; L30-H47 WeakPolarHBondContact CD2-ND1 3.17Å; E45-H47 VanDerWaalsContact CB-NE2 3.33Å; E45-H47 WeakPolarHBondContact CB-NE2 3.46Å; E45-H47 IonicContact OE2-CE1 3.16Å; E45-H47 PolarHBondContact OE2-CE1 3.27Å; E45-H47 IonicContact OE2-NE2 3.63Å; E45-H47 PolarHBondContact OE2-NE2 2.89Å; H47-L49 PolarHBondContact O-N 2.86Å; H47-V62 PolarHBondContact N-O 2.89Å; H47-V62 PolarHBondContact O-N 3.26Å |
| 48 | P | 94.2 | Very high | 91.5 | Very high | 68 Ų | 68 | 53 Ų | 53 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 118.1 | 174 | 30.3 | -31.9 | 0 | 0 | 0 | 110.2 | K59 | P48-K59 HydrophobicContact CB-CD 4.28Å; P48-K59 HydrophobicContact CB-CG 4.45Å |
| 49 | L | 93.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.8 | 173.6 | -61 | -176.3 | 0 | 0 | 0 | 109.8 | H29 L30 H47 F51 K59 Y60 V62 F160 | H29-L49 HydrophobicContact CB-CD1 3.58Å; H29-L49 HydrophobicContact CB-CD2 3.76Å; H29-L49 HydrophobicContact CB-CG 4.3Å; L30-L49 HydrophobicContact CB-CD2 3.9Å; L30-L49 HydrophobicContact CD1-CD2 4.07Å; H47-L49 PolarHBondContact O-N 2.86Å; L49-F51 HydrophobicContact CB-CE2 3.8Å; L49-F51 HydrophobicContact CD1-CE2 4.49Å; L49-K59 CarbonylContact O-C 3.59Å; L49-K59 WeakPolarHBondContact O-CA 3.46Å; L49-Y60 PolarHBondContact N-O 2.97Å; L49-Y60 PolarHBondContact O-N 3.49Å; L49-V62 HydrophobicContact CD1-CG2 3.74Å; L49-V62 HydrophobicContact CG-CG2 4.05Å; L49-F160 HydrophobicContact CD1-CE1 3.98Å; L49-F160 HydrophobicContact CD1-CZ 3.73Å |
| 50 | V | 93.1 | Very high | 92.6 | Very high | 60 Ų | 60 | 43.4 Ų | 43.4 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.2 | 179.7 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | P6 A57 I58 K59 | P6-V50 HydrophobicContact CG-CG1 4.03Å; P6-V50 HydrophobicContact CG-CG2 4.21Å; V50-A57 HydrophobicContact CG1-CB 4.04Å; V50-I58 WeakPolarHBondContact CA-O 3.33Å; V50-K59 HydrophobicContact CG2-CB 4.35Å; V50-K59 HydrophobicContact CG2-CG 4.19Å |
| 51 | F | 93.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.4 | 175 | -64.8 | -96.4 | 0 | 0 | 0 | 109.4 | H29 L49 A57 I58 Y60 F160 F175 P179 | H29-F51 AromaticContact CD2-CE1 3.98Å; H29-F51 AromaticContact CD2-CZ 3.7Å; L49-F51 HydrophobicContact CB-CE2 3.8Å; L49-F51 HydrophobicContact CD1-CE2 4.49Å; F51-A57 WeakPolarHBondContact O-CA 3.31Å; F51-I58 PolarHBondContact N-O 3.44Å; F51-I58 PolarHBondContact O-N 3.04Å; F51-Y60 AromaticContact CD2-CD2 3.69Å; F51-Y60 HydrophobicContact CD2-CD2 3.69Å; F51-Y60 HydrophobicContact CD2-CE2 4.04Å; F51-Y60 AromaticContact CE2-CD2 3.75Å; F51-Y60 HydrophobicContact CE2-CD2 3.75Å; F51-Y60 HydrophobicContact CE2-CE2 4.29Å; F51-F160 HydrophobicContact CD1-CB 4.5Å; F51-F160 HydrophobicContact CE1-CB 3.97Å; F51-F160 HydrophobicContact CE1-CD2 4.18Å; F51-F160 HydrophobicContact CE1-CG 4.05Å; F51-F160 HydrophobicContact CE2-CB 4.04Å; F51-F160 AromaticContact CE2-CD1 3.56Å; F51-F160 HydrophobicContact CE2-CD1 3.56Å; F51-F160 HydrophobicContact CE2-CD2 4.32Å; F51-F160 HydrophobicContact CE2-CE1 4.01Å; F51-F160 AromaticContact CE2-CG 3.72Å; F51-F160 HydrophobicContact CE2-CG 3.72Å; F51-F160 HydrophobicContact CZ-CB 3.72Å; F51-F160 AromaticContact CZ-CD1 3.67Å; F51-F160 HydrophobicContact CZ-CD1 3.67Å; F51-F160 AromaticContact CZ-CD2 3.56Å; F51-F160 HydrophobicContact CZ-CD2 3.56Å; F51-F160 HydrophobicContact CZ-CE1 4.11Å; F51-F160 HydrophobicContact CZ-CE2 4.03Å; F51-F160 AromaticContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CZ 4.27Å; F51-F175 HydrophobicContact CB-CD1 4.11Å; F51-F175 HydrophobicContact CB-CE1 3.63Å; F51-F175 HydrophobicContact CB-CZ 3.95Å; F51-F175 HydrophobicContact CD1-CD2 4.16Å; F51-F175 HydrophobicContact CD1-CE1 4.06Å; F51-F175 AromaticContact CD1-CE2 3.58Å; F51-F175 HydrophobicContact CD1-CE2 3.58Å; F51-F175 AromaticContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CE1-CE2 4.03Å; F51-F175 HydrophobicContact CE1-CZ 4.19Å; F51-F175 HydrophobicContact CG-CE1 4.06Å; F51-F175 HydrophobicContact CG-CE2 4.35Å; F51-F175 AromaticContact CG-CZ 3.82Å; F51-F175 HydrophobicContact CG-CZ 3.82Å; F51-P179 HydrophobicContact CD1-CG 4.08Å; F51-P179 HydrophobicContact CE1-CG 3.91Å |
| 52 | H | 93.7 | Very high | 93.8 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 38% | 0.384 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 123.8 | 177 | -64 | 91.9 | 0 | 0 | 0 | 109.8 | F175 V176 E177 | H52-F175 WeakPolarHBondContact O-CA 3.18Å; H52-V176 HydrophobicContact CB-CG2 3.92Å; H52-V176 WeakPolarHBondContact O-CG2 3.21Å; H52-V176 PolarHBondContact O-N 3.38Å; H52-E177 HydrophobicContact CB-CB 4.36Å; H52-E177 IonicContact CG-OE2 3.26Å; H52-E177 IonicContact ND1-OE2 3.87Å |
| 53 | T | 95.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 166.9 | -176.6 | 83.2 | 0 | 0 | 0 | 0 | 111.5 | R55 G56 I58 L173 E174 F175 | T53-R55 PolarHBondContact O-N 2.67Å; T53-R55 WeakPolarHBondContact OG1-CA 3.4Å; T53-R55 PolarHBondContact OG1-N 3.14Å; T53-G56 WeakPolarHBondContact CB-O 3.38Å; T53-G56 WeakPolarHBondContact CG2-O 3.23Å; T53-G56 PolarHBondContact N-O 3.26Å; T53-G56 PolarHBondContact O-N 3.33Å; T53-G56 PolarHBondContact OG1-N 3.28Å; T53-G56 PolarHBondContact OG1-O 2.81Å; T53-I58 HydrophobicContact CG2-CD1 3.84Å; T53-I58 HydrophobicContact CG2-CG1 4.06Å; T53-L173 HydrophobicContact CG2-CD1 4.37Å; T53-L173 HydrophobicContact CG2-CD2 3.91Å; T53-L173 HydrophobicContact CG2-CG 4.3Å; T53-E174 CarbonylContact C-O 3.53Å; T53-E174 WeakPolarHBondContact CA-O 3.05Å; T53-E174 WeakPolarHBondContact CB-O 3.43Å; T53-F175 HydrophobicContact CG2-CD1 3.94Å; T53-F175 HydrophobicContact CG2-CE1 4.09Å |
| 54 | N | 95.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 40 Ų | 40 | 31% | 0.305 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 4.7 | 168.7 | 66.2 | -14.3 | 0 | 0 | 0 | 114.1 | N172 L173 E174 V176 | N54-N172 PolarHBondContact ND2-O 3.06Å; N54-L173 WeakPolarHBondContact OD1-CA 3.35Å; N54-E174 PolarHBondContact N-O 2.93Å; N54-E174 PolarHBondContact OD1-N 2.98Å; N54-E174 PolarHBondContact OD1-O 2.97Å; N54-V176 HydrophobicContact CB-CG1 3.94Å |
| 55 | R | 95.2 | Very high | 94.8 | Very high | 142 Ų | 142 | 38.2 Ų | 38.2 | 54% | 0.536 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 10.8 | 173 | -58.3 | -64.4 | 179 | -93.9 | -8.2 | 112.9 | T53 D170 | T53-R55 PolarHBondContact O-N 2.67Å; T53-R55 WeakPolarHBondContact OG1-CA 3.4Å; T53-R55 PolarHBondContact OG1-N 3.14Å; R55-D170 IonicContact CZ-OD2 3.67Å; R55-D170 IonicContact NE-OD2 3.04Å; R55-D170 PolarHBondContact NE-OD2 2.84Å; R55-D170 IonicContact NH2-OD2 2.68Å; R55-D170 PolarHBondContact NH2-OD2 3Å |
| 56 | G | 94 | Very high | 94.5 | Very high | 40 Ų | 40 | 34.7 Ų | 34.7 | 41% | 0.412 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.9 | -175.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T53 | T53-G56 WeakPolarHBondContact CB-O 3.38Å; T53-G56 WeakPolarHBondContact CG2-O 3.23Å; T53-G56 PolarHBondContact N-O 3.26Å; T53-G56 PolarHBondContact O-N 3.33Å; T53-G56 PolarHBondContact OG1-N 3.28Å; T53-G56 PolarHBondContact OG1-O 2.81Å |
| 57 | A | 94.3 | Very high | 93.6 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 26% | 0.264 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 136.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P6 V50 F51 | P6-A57 HydrophobicContact CB-CB 4.05Å; P6-A57 HydrophobicContact CG-CB 4.02Å; V50-A57 HydrophobicContact CG1-CB 4.04Å; F51-A57 WeakPolarHBondContact O-CA 3.31Å |
| 58 | I | 95.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.1 | 172.6 | -63.2 | 178.3 | 0 | 0 | 0 | 108.4 | F10 V50 F51 T53 Y60 A164 I168 L173 | F10-I58 HydrophobicContact CD2-CG2 3.71Å; F10-I58 HydrophobicContact CE2-CG2 3.76Å; V50-I58 WeakPolarHBondContact CA-O 3.33Å; F51-I58 PolarHBondContact N-O 3.44Å; F51-I58 PolarHBondContact O-N 3.04Å; T53-I58 HydrophobicContact CG2-CD1 3.84Å; T53-I58 HydrophobicContact CG2-CG1 4.06Å; I58-Y60 HydrophobicContact CG2-CD2 4.48Å; I58-Y60 HydrophobicContact CG2-CE2 4.09Å; I58-A164 HydrophobicContact CD1-CB 3.96Å; I58-I168 HydrophobicContact CD1-CD1 3.93Å; I58-I168 HydrophobicContact CD1-CG1 3.67Å; I58-L173 HydrophobicContact CD1-CD1 3.81Å |
| 59 | K | 96.2 | Very high | 91.5 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 8% | 0.078 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125 | 174.8 | -174.3 | -173.1 | -66.9 | 176 | 0 | 110.5 | E5 P6 V8 Q9 F10 P48 L49 V50 | E5-K59 IonicContact OE1-NZ 2.83Å; E5-K59 PolarHBondContact OE1-NZ 3.01Å; P6-K59 HydrophobicContact CB-CB 4.16Å; P6-K59 HydrophobicContact CG-CB 4.23Å; V8-K59 PolarHBondContact O-N 3.04Å; Q9-K59 CarbonylContact C-O 3.59Å; Q9-K59 WeakPolarHBondContact CA-O 3.28Å; Q9-K59 HydrophobicContact CB-CB 4.01Å; Q9-K59 HydrophobicContact CB-CD 4.46Å; F10-K59 PolarHBondContact N-O 2.96Å; P48-K59 HydrophobicContact CB-CD 4.28Å; P48-K59 HydrophobicContact CB-CG 4.45Å; L49-K59 CarbonylContact O-C 3.59Å; L49-K59 WeakPolarHBondContact O-CA 3.46Å; V50-K59 HydrophobicContact CG2-CB 4.35Å; V50-K59 HydrophobicContact CG2-CG 4.19Å |
| 60 | Y | 97.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 117.6 | 162.8 | -68 | -76.7 | 0 | 0 | 0 | 109.2 | F10 L12 L49 F51 I58 V62 F160 L163 A164 L167 | F10-Y60 HydrophobicContact CB-CD1 3.93Å; F10-Y60 HydrophobicContact CB-CE1 4.08Å; F10-Y60 HydrophobicContact CD2-CE1 4.12Å; F10-Y60 HydrophobicContact CG-CE1 4.48Å; F10-Y60 CarbonylContact O-C 3.49Å; F10-Y60 WeakPolarHBondContact O-CA 3.37Å; L12-Y60 HydrophobicContact CB-CD1 4.04Å; L12-Y60 HydrophobicContact CD1-CD1 3.86Å; L12-Y60 HydrophobicContact CD1-CE1 4.27Å; L12-Y60 HydrophobicContact CD1-CG 4.24Å; L49-Y60 PolarHBondContact N-O 2.97Å; L49-Y60 PolarHBondContact O-N 3.49Å; F51-Y60 AromaticContact CD2-CD2 3.69Å; F51-Y60 HydrophobicContact CD2-CD2 3.69Å; F51-Y60 HydrophobicContact CD2-CE2 4.04Å; F51-Y60 AromaticContact CE2-CD2 3.75Å; F51-Y60 HydrophobicContact CE2-CD2 3.75Å; F51-Y60 HydrophobicContact CE2-CE2 4.29Å; I58-Y60 HydrophobicContact CG2-CD2 4.48Å; I58-Y60 HydrophobicContact CG2-CE2 4.09Å; Y60-V62 PolarHBondContact O-N 3.4Å; Y60-F160 AromaticContact CD2-CD1 3.64Å; Y60-F160 HydrophobicContact CD2-CD1 3.64Å; Y60-F160 HydrophobicContact CD2-CE1 4.28Å; Y60-F160 HydrophobicContact CE2-CB 4.18Å; Y60-F160 AromaticContact CE2-CD1 3.85Å; Y60-F160 HydrophobicContact CE2-CD1 3.85Å; Y60-F160 HydrophobicContact CG-CD1 4.14Å; Y60-F160 HydrophobicContact CG-CE1 4.44Å; Y60-F160 PolarHBondContact OH-O 2.98Å; Y60-L163 HydrophobicContact CE1-CB 4.38Å; Y60-L163 WeakPolarHBondContact OH-CB 3.5Å; Y60-A164 WeakPolarHBondContact OH-CA 3.33Å; Y60-A164 WeakPolarHBondContact OH-CB 3.47Å; Y60-A164 PolarHBondContact OH-N 3.04Å; Y60-L167 HydrophobicContact CE1-CD1 3.79Å |
| 61 | N | 97.3 | Very high | 88.9 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 95.5 | 163.7 | -65.9 | -51.5 | 0 | 0 | 0 | 106.5 | Q9 F10 L12 V46 W63 | Q9-N61 PolarHBondContact OE1-ND2 2.96Å; Q9-N61 VanDerWaalsContact OE1-ND2 3.14Å; F10-N61 PolarHBondContact O-N 2.83Å; L12-N61 PolarHBondContact N-O 3.27Å; V46-N61 HydrophobicContact CG1-CB 4.35Å; N61-W63 VanDerWaalsContact O-CD1 3.32Å |
| 62 | V | 97.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.2 | -175.6 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | L12 L14 V26 V46 H47 L49 Y60 D64 F160 | L12-V62 HydrophobicContact CB-CG2 4.32Å; L12-V62 HydrophobicContact CD2-CG1 3.89Å; L12-V62 HydrophobicContact CD2-CG2 4.27Å; L12-V62 CarbonylContact O-C 3.6Å; L12-V62 WeakPolarHBondContact O-CA 3.37Å; L14-V62 HydrophobicContact CB-CG1 4.11Å; L14-V62 HydrophobicContact CD2-CG1 4.46Å; V26-V62 HydrophobicContact CG1-CB 4.46Å; V26-V62 HydrophobicContact CG1-CG1 4.32Å; V26-V62 HydrophobicContact CG2-CG1 3.64Å; V46-V62 CarbonylContact C-O 3.6Å; V46-V62 WeakPolarHBondContact CA-O 3.46Å; H47-V62 PolarHBondContact N-O 2.89Å; H47-V62 PolarHBondContact O-N 3.26Å; L49-V62 HydrophobicContact CD1-CG2 3.74Å; L49-V62 HydrophobicContact CG-CG2 4.05Å; Y60-V62 PolarHBondContact O-N 3.4Å; V62-D64 PolarHBondContact O-N 3.42Å; V62-F160 HydrophobicContact CG2-CE1 4.16Å |
| 63 | W | 96.5 | Very high | 85.6 | Confident | 65 Ų | 65 | 47.1 Ų | 47.1 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 93.6 | 173.7 | -70.6 | 50.6 | 0 | 0 | 0 | 107.7 | K11 L12 V13 L14 V44 V46 N61 T65 Y78 | K11-W63 HydrophobicContact CD-CD2 4.47Å; K11-W63 HydrophobicContact CD-CZ2 4.32Å; K11-W63 HydrophobicContact CG-CG 4.48Å; L12-W63 PolarHBondContact O-N 3.43Å; V13-W63 HydrophobicContact CG1-CB 4.19Å; L14-W63 PolarHBondContact N-O 3.09Å; V44-W63 HydrophobicContact CG1-CE3 4.41Å; V44-W63 HydrophobicContact CG2-CB 3.84Å; V44-W63 HydrophobicContact CG2-CD2 4.29Å; V44-W63 HydrophobicContact CG2-CE3 3.89Å; V44-W63 HydrophobicContact CG2-CG 4.34Å; V46-W63 HydrophobicContact CG2-CD2 3.91Å; V46-W63 HydrophobicContact CG2-CE3 4.49Å; V46-W63 HydrophobicContact CG2-CG 4.05Å; V46-W63 HydrophobicContact CG2-CZ2 4.33Å; N61-W63 VanDerWaalsContact O-CD1 3.32Å; W63-T65 PolarHBondContact O-N 2.99Å; W63-Y78 HydrophobicContact CE3-CD1 4.15Å; W63-Y78 HydrophobicContact CZ3-CD1 4.03Å |
| 64 | D | 94.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 107 | 173.2 | -179.7 | 32.7 | 0 | 0 | 0 | 109.3 | K22 T23 V26 T41 V44 E45 V62 | K22-D64 VanDerWaalsContact CB-OD1 3.29Å; K22-D64 WeakPolarHBondContact CB-OD1 3.47Å; T23-D64 VanDerWaalsContact CA-OD2 3.26Å; T23-D64 WeakPolarHBondContact CA-OD2 3.42Å; T23-D64 VanDerWaalsContact CB-OD2 3.24Å; T23-D64 WeakPolarHBondContact CB-OD2 3.28Å; T23-D64 WeakPolarHBondContact CG2-OD2 3.31Å; T23-D64 PolarHBondContact OG1-OD2 3.3Å; V26-D64 HydrophobicContact CG2-CB 4.42Å; T41-D64 PolarHBondContact OG1-OD2 3.18Å; V44-D64 VanDerWaalsContact CA-O 3.3Å; V44-D64 WeakPolarHBondContact CA-O 3.47Å; V44-D64 WeakPolarHBondContact CG2-O 3.18Å; E45-D64 PolarHBondContact N-O 3.22Å; E45-D64 PolarHBondContact O-N 2.99Å; V62-D64 PolarHBondContact O-N 3.42Å |
| 65 | T | 91 | Very high | 83.2 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 149.9 | -173.7 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | L14 V15 K22 V44 W63 G67 Y78 | L14-T65 PolarHBondContact O-N 3.05Å; L14-T65 PolarHBondContact O-OG1 3.45Å; V15-T65 HydrophobicContact CG1-CG2 4.46Å; K22-T65 WeakPolarHBondContact CE-O 3.36Å; V44-T65 HydrophobicContact CG2-CG2 4.31Å; W63-T65 PolarHBondContact O-N 2.99Å; T65-G67 PolarHBondContact O-N 3.29Å; T65-Y78 HydrophobicContact CG2-CD2 4.37Å; T65-Y78 HydrophobicContact CG2-CG 4.46Å |
| 66 | A | 86.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | trans | -61.3 | 121.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T41 G43 F71 | T41-A66 WeakPolarHBondContact O-CB 3.35Å; G43-A66 WeakPolarHBondContact O-CB 3.46Å; G43-A66 PolarHBondContact O-N 2.94Å; A66-F71 HydrophobicContact CB-CB 3.8Å; A66-F71 WeakPolarHBondContact CB-O 3.37Å | ||
| 67 | G | 75.4 | Confident | 82.1 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | trans | -85.8 | -5.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G16 D17 G18 T65 | G16-G67 WeakPolarHBondContact O-CA 3.39Å; D17-G67 CarbonylContact C-O 3.57Å; G18-G67 VanDerWaalsContact N-C 3.33Å; G18-G67 PolarHBondContact N-O 2.92Å; T65-G67 PolarHBondContact O-N 3.29Å | ||
| 68 | Q | 75.3 | Confident | 81.9 | Confident | 69 Ų | 69 | 47.6 Ų | 47.6 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -99.3 | 134.9 | 176.6 | -57.8 | -161.5 | 1.6 | 0 | 0 | 109.9 | Y38 K70 F71 G72 | Y38-Q68 PolarHBondContact OH-NE2 3.27Å; Q68-K70 PolarHBondContact O-N 3.05Å; Q68-F71 HydrophobicContact CB-CD2 3.71Å; Q68-F71 HydrophobicContact CB-CE2 4.3Å; Q68-F71 HydrophobicContact CG-CD2 4.17Å; Q68-F71 HydrophobicContact CG-CE2 4.48Å; Q68-F71 CarbonylContact O-C 3.58Å; Q68-F71 PolarHBondContact O-N 3.02Å; Q68-F71 VanDerWaalsContact OE1-CE2 3.24Å; Q68-G72 PolarHBondContact O-N 2.82Å; Q68-G72 VanDerWaalsContact O-N 3.15Å |
| 69 | E | 68.2 | Low | 81.8 | Confident | 148 Ų | 148 | 47.4 Ų | 47.4 | 69% | 0.692 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -56.7 | -40.5 | -177.1 | -42.2 | -139 | 106.7 | 0 | 0 | 112.6 | F71 G72 R75 | E69-F71 PolarHBondContact O-N 3.18Å; E69-F71 VanDerWaalsContact O-N 3.1Å; E69-G72 PolarHBondContact O-N 2.73Å; E69-R75 VanDerWaalsContact CA-NH2 3.26Å; E69-R75 VanDerWaalsContact CG-NH2 3.25Å; E69-R75 IonicContact OE1-CZ 3.5Å; E69-R75 IonicContact OE1-NH1 2.86Å; E69-R75 PolarHBondContact OE1-NH1 3.39Å; E69-R75 IonicContact OE1-NH2 2.65Å; E69-R75 PolarHBondContact OE1-NH2 2.8Å |
| 70 | K | 67.6 | Low | 81.7 | Confident | 191 Ų | 191 | 51 Ų | 51 | 83% | 0.83 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -60.7 | -21.7 | 178.6 | -60.8 | -175.8 | -179 | -178.5 | 0 | 113.7 | Q68 | Q68-K70 PolarHBondContact O-N 3.05Š|
| 71 | F | 66.3 | Low | 81.7 | Confident | 75 Ų | 75 | 58.7 Ų | 58.7 | 33% | 0.329 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -110.9 | 1.9 | -179.5 | -55.6 | -48 | 0 | 0 | 0 | 112.6 | A40 L42 G43 A66 Q68 E69 G73 | A40-F71 HydrophobicContact CB-CD2 4.03Å; A40-F71 HydrophobicContact CB-CE2 3.9Å; L42-F71 HydrophobicContact CD2-CD1 3.72Å; L42-F71 HydrophobicContact CD2-CE1 4.02Å; L42-F71 HydrophobicContact CD2-CG 4.06Å; G43-F71 PolarHBondContact N-O 3.16Å; A66-F71 HydrophobicContact CB-CB 3.8Å; A66-F71 WeakPolarHBondContact CB-O 3.37Å; Q68-F71 HydrophobicContact CB-CD2 3.71Å; Q68-F71 HydrophobicContact CB-CE2 4.3Å; Q68-F71 HydrophobicContact CG-CD2 4.17Å; Q68-F71 HydrophobicContact CG-CE2 4.48Å; Q68-F71 CarbonylContact O-C 3.58Å; Q68-F71 PolarHBondContact O-N 3.02Å; Q68-F71 VanDerWaalsContact OE1-CE2 3.24Å; E69-F71 PolarHBondContact O-N 3.18Å; E69-F71 VanDerWaalsContact O-N 3.1Å; F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 3.04Å |
| 72 | G | 57.9 | Low | 81.7 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | trans | -83.6 | 3.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q68 E69 L74 R75 | Q68-G72 PolarHBondContact O-N 2.82Å; Q68-G72 VanDerWaalsContact O-N 3.15Å; E69-G72 PolarHBondContact O-N 2.73Å; G72-L74 PolarHBondContact O-N 3.32Å; G72-R75 WeakPolarHBondContact O-CG 3.42Å; G72-R75 PolarHBondContact O-N 3.24Å | ||
| 73 | G | 59.5 | Low | 81.7 | Confident | 79 Ų | 79 | 61.1 Ų | 61.1 | 81% | 0.814 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -7.2 | -65.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | F71 | F71-G73 VanDerWaalsContact C-N 3.33Å; F71-G73 PolarHBondContact O-N 3.04Å |
| 74 | L | 67.1 | Low | 81.8 | Confident | 117 Ų | 117 | 58 Ų | 58 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -11.4 | -174.5 | -68.6 | 170.8 | 0 | 0 | 0 | 115.6 | G72 D76 G77 Y78 | G72-L74 PolarHBondContact O-N 3.32Å; L74-D76 CarbonylContact O-C 3.59Å; L74-D76 PolarHBondContact O-N 2.97Å; L74-G77 PolarHBondContact O-N 3.06Å; L74-Y78 HydrophobicContact CB-CD2 4.37Å; L74-Y78 HydrophobicContact CB-CE1 4.1Å; L74-Y78 HydrophobicContact CB-CE2 3.92Å; L74-Y78 HydrophobicContact CD1-CE1 3.98Å |
| 75 | R | 73.3 | Confident | 82 | Confident | 53 Ų | 53 | 58 Ų | 58 | 20% | 0.2 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 12 | -81.3 | -167.6 | -70.9 | -163.4 | 169.5 | 164.3 | -5.6 | 114.5 | E69 G72 G77 Y78 | E69-R75 VanDerWaalsContact CA-NH2 3.26Å; E69-R75 VanDerWaalsContact CG-NH2 3.25Å; E69-R75 IonicContact OE1-CZ 3.5Å; E69-R75 IonicContact OE1-NH1 2.86Å; E69-R75 PolarHBondContact OE1-NH1 3.39Å; E69-R75 IonicContact OE1-NH2 2.65Å; E69-R75 PolarHBondContact OE1-NH2 2.8Å; G72-R75 WeakPolarHBondContact O-CG 3.42Å; G72-R75 PolarHBondContact O-N 3.24Å; R75-G77 PolarHBondContact O-N 3.05Å; R75-Y78 WeakPolarHBondContact O-CB 3.49Å; R75-Y78 PolarHBondContact O-N 3Å |
| 76 | D | 78.6 | Confident | 82.4 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -50.8 | -38.8 | 179.6 | -61.9 | 6.6 | 0 | 0 | 0 | 113.6 | L74 Y78 Y79 I80 R109 V110 | L74-D76 CarbonylContact O-C 3.59Å; L74-D76 PolarHBondContact O-N 2.97Å; D76-Y78 PolarHBondContact O-N 3.14Å; D76-Y79 WeakPolarHBondContact O-CB 3.35Å; D76-Y79 PolarHBondContact O-N 2.78Å; D76-I80 PolarHBondContact O-N 3Å; D76-R109 IonicContact OD2-CZ 3.2Å; D76-R109 IonicContact OD2-NH1 2.79Å; D76-R109 PolarHBondContact OD2-NH1 2.66Å; D76-V110 HydrophobicContact CB-CG2 3.93Å |
| 77 | G | 87.5 | Confident | 82.9 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.9 | -29.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L74 R75 Y79 | L74-G77 PolarHBondContact O-N 3.06Å; R75-G77 PolarHBondContact O-N 3.05Å; G77-Y79 VanDerWaalsContact C-N 3.29Å |
| 78 | Y | 90.7 | Very high | 84 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.4 | -25.6 | 174.2 | -59 | -48.1 | 0 | 0 | 0 | 112.1 | K11 G43 V44 W63 T65 L74 R75 D76 | K11-Y78 WeakPolarHBondContact CE-O 3.27Å; K11-Y78 PolarHBondContact NZ-O 2.85Å; G43-Y78 VanDerWaalsContact CA-OH 3.24Å; G43-Y78 WeakPolarHBondContact CA-OH 3.47Å; V44-Y78 HydrophobicContact CB-CD1 3.86Å; V44-Y78 HydrophobicContact CB-CE1 3.7Å; V44-Y78 HydrophobicContact CB-CE2 4.49Å; V44-Y78 HydrophobicContact CB-CG 4.35Å; V44-Y78 HydrophobicContact CG1-CD1 3.64Å; V44-Y78 HydrophobicContact CG1-CE1 3.27Å; V44-Y78 HydrophobicContact CG2-CD1 4.43Å; W63-Y78 HydrophobicContact CE3-CD1 4.15Å; W63-Y78 HydrophobicContact CZ3-CD1 4.03Å; T65-Y78 HydrophobicContact CG2-CD2 4.37Å; T65-Y78 HydrophobicContact CG2-CG 4.46Å; L74-Y78 HydrophobicContact CB-CD2 4.37Å; L74-Y78 HydrophobicContact CB-CE1 4.1Å; L74-Y78 HydrophobicContact CB-CE2 3.92Å; L74-Y78 HydrophobicContact CD1-CE1 3.98Å; R75-Y78 WeakPolarHBondContact O-CB 3.49Å; R75-Y78 PolarHBondContact O-N 3Å; D76-Y78 PolarHBondContact O-N 3.14Å |
| 79 | Y | 93.5 | Very high | 85.1 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -79.3 | -28.6 | -177.8 | -54.2 | -26.5 | 0 | 0 | 0 | 113 | V13 V15 D76 G77 Q81 A82 D106 L107 V110 C111 | V13-Y79 HydrophobicContact CB-CD1 4.45Å; V13-Y79 HydrophobicContact CG1-CD1 4.46Å; V13-Y79 HydrophobicContact CG2-CD1 4.39Å; V15-Y79 HydrophobicContact CG1-CD1 4.43Å; V15-Y79 HydrophobicContact CG1-CE1 3.5Å; D76-Y79 WeakPolarHBondContact O-CB 3.35Å; D76-Y79 PolarHBondContact O-N 2.78Å; G77-Y79 VanDerWaalsContact C-N 3.29Å; Y79-Q81 PolarHBondContact O-N 2.84Å; Y79-A82 WeakPolarHBondContact O-CB 3.35Å; Y79-A82 PolarHBondContact O-N 3.46Å; Y79-D106 HydrophobicContact CE2-CB 4.16Å; Y79-L107 HydrophobicContact CD1-CD1 4.03Å; Y79-L107 HydrophobicContact CD2-CD1 4.48Å; Y79-L107 HydrophobicContact CG-CD1 4.02Å; Y79-V110 HydrophobicContact CD2-CB 4.36Å; Y79-V110 HydrophobicContact CD2-CG2 4.02Å; Y79-C111 PolarHBondContact O-SG 2.79Å |
| 80 | I | 94.1 | Very high | 86.5 | Confident | 93 Ų | 93 | 47.3 Ų | 47.3 | 48% | 0.477 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.4 | 125.2 | -176.6 | -64.8 | 174 | 0 | 0 | 0 | 111.4 | K11 D76 A82 V110 | K11-I80 PolarHBondContact NZ-O 2.84Å; D76-I80 PolarHBondContact O-N 3Å; I80-A82 PolarHBondContact O-N 3.43Å; I80-V110 HydrophobicContact CG1-CG1 4.02Å |
| 81 | Q | 95.7 | Very high | 88 | Confident | 162 Ų | 162 | 38.2 Ų | 38.2 | 76% | 0.757 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 20.9 | -179.2 | -60.4 | 171.6 | -14.1 | 0 | 0 | 115.2 | Y79 Q83 | Y79-Q81 PolarHBondContact O-N 2.84Å; Q81-Q83 PolarHBondContact O-N 2.82Å |
| 82 | A | 97.7 | Very high | 89.5 | Confident | 7 Ų | 7 | 36.5 Ų | 36.5 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | trans | -58.1 | 137 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V13 Y79 I80 I114 | V13-A82 HydrophobicContact CB-CB 4.41Å; V13-A82 HydrophobicContact CG1-CB 3.71Å; V13-A82 HydrophobicContact CG2-CB 3.82Å; Y79-A82 WeakPolarHBondContact O-CB 3.35Å; Y79-A82 PolarHBondContact O-N 3.46Å; I80-A82 PolarHBondContact O-N 3.43Å; A82-I114 HydrophobicContact CB-CD1 4.14Å; A82-I114 WeakPolarHBondContact O-CG2 3.46Å | ||
| 83 | Q | 98.4 | Very high | 91.4 | Very high | 80 Ų | 80 | 38 Ų | 38 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -102.3 | -21.6 | 177 | -69.6 | 158 | -74.4 | 0 | 0 | 110.8 | F10 K11 Q81 P115 L167 | F10-Q83 VanDerWaalsContact CA-OE1 3.26Å; F10-Q83 HydrophobicContact CB-CB 4.39Å; F10-Q83 HydrophobicContact CD1-CB 4.18Å; K11-Q83 PolarHBondContact O-N 3.12Å; Q81-Q83 PolarHBondContact O-N 2.82Å; Q83-P115 VanDerWaalsContact O-CD 3.3Å; Q83-P115 WeakPolarHBondContact O-CD 3.41Å; Q83-L167 HydrophobicContact CB-CD2 4.31Å; Q83-L167 WeakPolarHBondContact O-CD2 3.34Å |
| 84 | C | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 166.3 | 174.4 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | K11 L12 V13 P115 L163 L167 | K11-C84 PolarHBondContact O-N 2.93Å; L12-C84 WeakPolarHBondContact CA-O 3.48Å; L12-C84 VanDerWaalsContact CB-SG 3.56Å; V13-C84 PolarHBondContact N-O 2.95Å; C84-P115 VanDerWaalsContact CA-O 3.31Å; C84-P115 WeakPolarHBondContact CA-O 3.11Å; C84-P115 HydrophobicContact CB-CG 4.02Å; C84-L163 HydrophobicContact CB-CD1 4.13Å; C84-L163 HydrophobicContact CB-CD2 3.71Å; C84-L163 HydrophobicContact CB-CG 4.38Å; C84-L167 HydrophobicContact CB-CD1 3.97Å; C84-L167 HydrophobicContact CB-CD2 4.4Å |
| 85 | A | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 157.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V13 L107 I114 P115 I116 V117 | V13-A85 HydrophobicContact CG2-CB 3.55Å; V13-A85 CarbonylContact O-C 3.59Å; V13-A85 VanDerWaalsContact O-CA 3.23Å; V13-A85 WeakPolarHBondContact O-CA 3.12Å; V13-A85 WeakPolarHBondContact O-CB 3.44Å; A85-L107 HydrophobicContact CB-CD1 4.28Å; A85-L107 HydrophobicContact CB-CD2 3.4Å; A85-L107 VanDerWaalsContact CB-CD2 3.4Å; A85-L107 HydrophobicContact CB-CG 4.46Å; A85-I114 HydrophobicContact CB-CD1 4.1Å; A85-P115 PolarHBondContact N-O 2.86Å; A85-I116 HydrophobicContact CB-CG1 4.13Å; A85-I116 HydrophobicContact CB-CG2 4.4Å; A85-I116 WeakPolarHBondContact O-CA 3.42Å; A85-V117 PolarHBondContact O-N 3.38Å |
| 86 | I | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.7 | 163.5 | -63.8 | 174.7 | 0 | 0 | 0 | 107.7 | L12 V13 L14 V15 F25 V117 C119 P159 F160 L163 | L12-I86 HydrophobicContact CD1-CD1 4.09Å; L12-I86 HydrophobicContact CD1-CG1 4.31Å; L12-I86 HydrophobicContact CD2-CB 4.49Å; L12-I86 HydrophobicContact CD2-CD1 4.22Å; L12-I86 HydrophobicContact CD2-CG1 4.21Å; V13-I86 PolarHBondContact O-N 3.36Å; L14-I86 WeakPolarHBondContact CA-O 3.38Å; L14-I86 HydrophobicContact CD1-CB 3.67Å; L14-I86 HydrophobicContact CD1-CG2 3.58Å; V15-I86 PolarHBondContact N-O 3.04Å; F25-I86 HydrophobicContact CE1-CD1 4.09Å; I86-V117 CarbonylContact C-O 3.59Å; I86-V117 VanDerWaalsContact CA-O 3.31Å; I86-V117 WeakPolarHBondContact CA-O 3.39Å; I86-V117 HydrophobicContact CG1-CB 4.39Å; I86-C119 HydrophobicContact CG2-CB 4.23Å; I86-P159 HydrophobicContact CD1-CB 3.8Å; I86-P159 HydrophobicContact CG1-CB 4.44Å; I86-F160 HydrophobicContact CD1-CZ 4.4Å; I86-L163 HydrophobicContact CD1-CD1 4.36Å; I86-L163 HydrophobicContact CG1-CD1 3.99Å |
| 87 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 120.9 | 168.8 | -51.9 | -178.8 | 0 | 0 | 0 | 107.2 | V15 V100 W103 H104 L107 I116 V117 L118 C119 | V15-I87 HydrophobicContact CG2-CB 4.21Å; V15-I87 HydrophobicContact CG2-CG1 3.7Å; V15-I87 HydrophobicContact CG2-CG2 4.28Å; V15-I87 WeakPolarHBondContact O-CA 3.3Å; I87-V100 HydrophobicContact CG2-CG1 4.18Å; I87-V100 HydrophobicContact CG2-CG2 4.34Å; I87-W103 HydrophobicContact CG2-CB 4.12Å; I87-H104 HydrophobicContact CD1-CB 3.77Å; I87-L107 HydrophobicContact CD1-CD2 4.42Å; I87-I116 HydrophobicContact CD1-CG2 3.89Å; I87-I116 HydrophobicContact CG1-CG2 3.84Å; I87-V117 PolarHBondContact N-O 3.48Å; I87-L118 HydrophobicContact CB-CD1 4.1Å; I87-L118 HydrophobicContact CG2-CD1 4.14Å; I87-L118 CarbonylContact O-C 3.5Å; I87-L118 WeakPolarHBondContact O-CA 3.31Å; I87-C119 PolarHBondContact O-N 3.01Å |
| 88 | M | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 132 | -177 | -171.3 | 176.3 | -66.2 | 0 | 0 | 111.7 | L14 V15 G16 K22 F25 C119 N121 I148 | L14-M88 HydrophobicContact CD1-CB 4.42Å; L14-M88 HydrophobicContact CD1-CE 4.21Å; V15-M88 PolarHBondContact O-N 3.46Å; G16-M88 WeakPolarHBondContact CA-O 3.44Å; K22-M88 HydrophobicContact CG-CB 4.07Å; K22-M88 HydrophobicContact CG-SD 4.1Å; F25-M88 HydrophobicContact CB-CE 3.75Å; F25-M88 HydrophobicContact CD1-CE 3.96Å; F25-M88 HydrophobicContact CD2-CE 4.15Å; F25-M88 HydrophobicContact CG-CE 3.7Å; M88-C119 WeakPolarHBondContact CA-O 3.45Å; M88-N121 HydrophobicContact CG-CB 4.01Å; M88-N121 HydrophobicContact SD-CB 3.91Å; M88-I148 HydrophobicContact CE-CD1 3.81Å |
| 89 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 170 | 166.5 | 72.7 | -86.5 | 0 | 0 | 0 | 110.7 | V91 Y97 V100 L118 C119 G120 N121 V130 I135 Y145 | F89-V91 HydrophobicContact CE2-CG1 3.93Å; F89-Y97 AromaticContact CD1-CD2 3.88Å; F89-Y97 HydrophobicContact CD1-CD2 3.88Å; F89-Y97 AromaticContact CD2-CD2 3.89Å; F89-Y97 HydrophobicContact CD2-CD2 3.89Å; F89-Y97 HydrophobicContact CD2-CG 4.34Å; F89-Y97 AromaticContact CE1-CD2 3.73Å; F89-Y97 HydrophobicContact CE1-CD2 3.73Å; F89-Y97 HydrophobicContact CE1-CE2 4.06Å; F89-Y97 AromaticContact CE2-CD2 3.78Å; F89-Y97 HydrophobicContact CE2-CD2 3.78Å; F89-Y97 HydrophobicContact CE2-CG 4.35Å; F89-Y97 AromaticContact CG-CD2 3.94Å; F89-Y97 HydrophobicContact CG-CD2 3.94Å; F89-Y97 AromaticContact CZ-CD2 3.7Å; F89-Y97 HydrophobicContact CZ-CD2 3.7Å; F89-Y97 HydrophobicContact CZ-CE2 4.15Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4.08Å; F89-V100 HydrophobicContact CG-CG2 4.31Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.21Å; F89-L118 HydrophobicContact CE1-CD1 3.97Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; F89-L118 HydrophobicContact CE1-CG 3.9Å; F89-C119 WeakPolarHBondContact CD1-O 3.28Å; F89-C119 PolarHBondContact N-O 3.41Å; F89-G120 VanDerWaalsContact CZ-CA 3.47Å; F89-N121 PolarHBondContact O-N 3.4Å; F89-V130 HydrophobicContact CE2-CB 4.2Å; F89-V130 HydrophobicContact CE2-CG1 3.87Å; F89-V130 HydrophobicContact CZ-CG1 4.49Å; F89-I135 HydrophobicContact CE2-CD1 4.48Å; F89-I135 HydrophobicContact CZ-CD1 3.94Å; F89-I135 HydrophobicContact CZ-CG1 4.12Å; F89-I135 HydrophobicContact CZ-CG2 4.48Å; F89-Y145 AromaticContact CE1-CE2 3.68Å; F89-Y145 HydrophobicContact CE1-CE2 3.68Å; F89-Y145 AromaticContact CZ-CE2 3.78Å; F89-Y145 HydrophobicContact CZ-CE2 3.78Å |
| 90 | D | 98.3 | Very high | 97.6 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120 | 178.9 | 179.7 | -14.1 | 0 | 0 | 0 | 109.6 | T20 T92 S93 T96 K122 | T20-D90 HydrophobicContact CG2-CB 4.34Å; D90-T92 PolarHBondContact O-N 2.99Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 WeakPolarHBondContact OD1-CA 3.49Å; D90-T92 WeakPolarHBondContact OD1-CB 3.28Å; D90-T92 PolarHBondContact OD1-N 2.87Å; D90-T92 PolarHBondContact OD1-OG1 2.87Å; D90-T92 PolarHBondContact OD2-OG1 2.99Å; D90-S93 PolarHBondContact O-N 2.97Å; D90-T96 HydrophobicContact CB-CG2 4.3Å; D90-T96 PolarHBondContact N-OG1 2.97Å; D90-T96 PolarHBondContact O-OG1 2.78Å; D90-K122 WeakPolarHBondContact OD2-CD 3.43Å; D90-K122 VanDerWaalsContact OD2-CE 3.23Å; D90-K122 WeakPolarHBondContact OD2-CE 3.48Å; D90-K122 IonicContact OD2-NZ 2.7Å; D90-K122 PolarHBondContact OD2-NZ 2.89Å |
| 91 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -14.1 | -178.3 | -55.7 | 0 | 0 | 0 | 0 | 113.4 | F89 N121 V123 R128 K129 V130 | F89-V91 HydrophobicContact CE2-CG1 3.93Å; V91-N121 WeakPolarHBondContact CG2-O 3.1Å; V91-N121 PolarHBondContact N-O 3.34Å; V91-V123 HydrophobicContact CG1-CG1 4.01Å; V91-V123 HydrophobicContact CG2-CG1 4.12Å; V91-R128 HydrophobicContact CB-CG 4.09Å; V91-R128 HydrophobicContact CG2-CG 4.08Å; V91-K129 PolarHBondContact O-N 3.45Å; V91-V130 PolarHBondContact O-N 3.19Å |
| 92 | T | 98 | Very high | 97.7 | Very high | 39 Ų | 39 | 35.7 Ų | 35.7 | 24% | 0.239 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -9.7 | 175.2 | 73.5 | 0 | 0 | 0 | 0 | 113 | D90 I125 K129 | D90-T92 PolarHBondContact O-N 2.99Å; D90-T92 VanDerWaalsContact O-N 3.09Å; D90-T92 WeakPolarHBondContact OD1-CA 3.49Å; D90-T92 WeakPolarHBondContact OD1-CB 3.28Å; D90-T92 PolarHBondContact OD1-N 2.87Å; D90-T92 PolarHBondContact OD1-OG1 2.87Å; D90-T92 PolarHBondContact OD2-OG1 2.99Å; T92-I125 HydrophobicContact CG2-CB 3.73Å; T92-I125 HydrophobicContact CG2-CD1 3.83Å; T92-I125 HydrophobicContact CG2-CG1 4.33Å; T92-I125 HydrophobicContact CG2-CG2 3.75Å; T92-K129 WeakPolarHBondContact O-CG 3.31Å |
| 93 | S | 97.8 | Very high | 97.6 | Very high | 36 Ų | 36 | 36 Ų | 36 | 25% | 0.252 | 18% | 0.178 | S | C | . | . | trans | -129.2 | 100.5 | -174.8 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | D90 V95 T96 | D90-S93 PolarHBondContact O-N 2.97Å; S93-V95 PolarHBondContact O-N 2.99Å; S93-V95 VanDerWaalsContact OG-CG1 3.29Å; S93-V95 WeakPolarHBondContact OG-CG1 3.4Å; S93-T96 PolarHBondContact O-N 3.48Å; S93-T96 PolarHBondContact O-OG1 2.74Å | ||
| 94 | R | 97.6 | Very high | 97.4 | Very high | 174 Ų | 174 | 33.1 Ų | 33.1 | 66% | 0.657 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -56.1 | -35.3 | -177.6 | -65.7 | -177.6 | -178.3 | 147.6 | -1.2 | 113.5 | T96 Y97 K98 K129 V130 | R94-T96 VanDerWaalsContact C-N 3.26Å; R94-T96 PolarHBondContact O-N 3.04Å; R94-Y97 PolarHBondContact O-N 3.16Å; R94-K98 PolarHBondContact O-N 3.18Å; R94-K129 HydrophobicContact CG-CB 3.95Å; R94-V130 HydrophobicContact CB-CG2 4.49Å; R94-V130 HydrophobicContact CG-CG2 4.16Å |
| 95 | V | 97.1 | Very high | 97.2 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 49% | 0.491 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61 | -37.4 | 179.5 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | S93 Y97 K98 N99 | S93-V95 PolarHBondContact O-N 2.99Å; S93-V95 VanDerWaalsContact OG-CG1 3.29Å; S93-V95 WeakPolarHBondContact OG-CG1 3.4Å; V95-Y97 VanDerWaalsContact C-N 3.28Å; V95-Y97 PolarHBondContact O-N 2.95Å; V95-K98 PolarHBondContact O-N 3.28Å; V95-K98 VanDerWaalsContact O-N 3.16Å; V95-N99 PolarHBondContact O-N 3.03Å; V95-N99 PolarHBondContact O-ND2 3.23Å |
| 96 | T | 97.9 | Very high | 96.9 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.6 | -32.6 | 179.6 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | D17 T20 D90 S93 R94 | D17-T96 HydrophobicContact CB-CG2 3.84Å; D17-T96 WeakPolarHBondContact OD2-CA 3.36Å; T20-T96 HydrophobicContact CG2-CG2 3.88Å; D90-T96 HydrophobicContact CB-CG2 4.3Å; D90-T96 PolarHBondContact N-OG1 2.97Å; D90-T96 PolarHBondContact O-OG1 2.78Å; S93-T96 PolarHBondContact O-N 3.48Å; S93-T96 PolarHBondContact O-OG1 2.74Å; R94-T96 VanDerWaalsContact C-N 3.26Å; R94-T96 PolarHBondContact O-N 3.04Å |
| 97 | Y | 98.2 | Very high | 96.7 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 13% | 0.129 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73.4 | -41.7 | 172.4 | -173.9 | -109 | 0 | 0 | 0 | 111.8 | F89 R94 V95 N99 V100 L118 V130 S134 I135 V136 F137 | F89-Y97 AromaticContact CD1-CD2 3.88Å; F89-Y97 HydrophobicContact CD1-CD2 3.88Å; F89-Y97 AromaticContact CD2-CD2 3.89Å; F89-Y97 HydrophobicContact CD2-CD2 3.89Å; F89-Y97 HydrophobicContact CD2-CG 4.34Å; F89-Y97 AromaticContact CE1-CD2 3.73Å; F89-Y97 HydrophobicContact CE1-CD2 3.73Å; F89-Y97 HydrophobicContact CE1-CE2 4.06Å; F89-Y97 AromaticContact CE2-CD2 3.78Å; F89-Y97 HydrophobicContact CE2-CD2 3.78Å; F89-Y97 HydrophobicContact CE2-CG 4.35Å; F89-Y97 AromaticContact CG-CD2 3.94Å; F89-Y97 HydrophobicContact CG-CD2 3.94Å; F89-Y97 AromaticContact CZ-CD2 3.7Å; F89-Y97 HydrophobicContact CZ-CD2 3.7Å; F89-Y97 HydrophobicContact CZ-CE2 4.15Å; R94-Y97 PolarHBondContact O-N 3.16Å; V95-Y97 VanDerWaalsContact C-N 3.28Å; V95-Y97 PolarHBondContact O-N 2.95Å; Y97-N99 PolarHBondContact O-N 2.79Å; Y97-V100 HydrophobicContact CD2-CG2 4.16Å; Y97-V100 VanDerWaalsContact O-CB 3.31Å; Y97-V100 WeakPolarHBondContact O-CB 3.48Å; Y97-V100 WeakPolarHBondContact O-CG2 3.28Å; Y97-V100 PolarHBondContact O-N 3.35Å; Y97-L118 HydrophobicContact CE2-CD2 4.28Å; Y97-V130 HydrophobicContact CD1-CG1 4.07Å; Y97-V130 HydrophobicContact CD2-CG1 4.27Å; Y97-V130 HydrophobicContact CG-CG1 3.85Å; Y97-S134 VanDerWaalsContact CE1-O 3.28Å; Y97-S134 WeakPolarHBondContact CE1-O 3.29Å; Y97-I135 HydrophobicContact CE2-CB 4.38Å; Y97-I135 HydrophobicContact CE2-CG1 4.2Å; Y97-I135 HydrophobicContact CE2-CG2 3.94Å; Y97-I135 VanDerWaalsContact OH-CA 3.28Å; Y97-I135 WeakPolarHBondContact OH-CA 3.37Å; Y97-V136 PolarHBondContact OH-N 2.99Å; Y97-F137 VanDerWaalsContact OH-CB 3.31Å; Y97-F137 WeakPolarHBondContact OH-CB 3.32Å; Y97-F137 PolarHBondContact OH-N 2.84Å |
| 98 | K | 96.9 | Very high | 96.6 | Very high | 118 Ų | 118 | 42.8 Ų | 42.8 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58 | -29.4 | 175.4 | -173.4 | 173.9 | -178.6 | 172.8 | 0 | 112.5 | R94 V95 P101 L215 | R94-K98 PolarHBondContact O-N 3.18Å; V95-K98 PolarHBondContact O-N 3.28Å; V95-K98 VanDerWaalsContact O-N 3.16Å; K98-P101 VanDerWaalsContact O-CD 3.3Å; K98-P101 WeakPolarHBondContact O-CD 3.31Å; K98-L215 WeakPolarHBondContact CE-OXT 2.73Å |
| 99 | N | 96.3 | Very high | 96.4 | Very high | 45 Ų | 45 | 51.4 Ų | 51.4 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -9.9 | 178.6 | -71.3 | -23.7 | 0 | 0 | 0 | 114.4 | D17 V95 Y97 P101 N102 W103 | D17-N99 WeakPolarHBondContact OD1-CB 3.35Å; D17-N99 PolarHBondContact OD2-ND2 3.29Å; V95-N99 PolarHBondContact O-N 3.03Å; V95-N99 PolarHBondContact O-ND2 3.23Å; Y97-N99 PolarHBondContact O-N 2.79Å; N99-P101 VanDerWaalsContact C-CD 3.49Å; N99-N102 WeakPolarHBondContact O-CB 3.41Å; N99-N102 PolarHBondContact O-N 2.96Å; N99-W103 VanDerWaalsContact O-CD1 3.27Å; N99-W103 PolarHBondContact O-N 2.84Å |
| 100 | V | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.3 | -44.5 | 177.9 | 168.5 | 0 | 0 | 0 | 0 | 112.9 | I87 F89 Y97 N102 W103 H104 L118 F137 | I87-V100 HydrophobicContact CG2-CG1 4.18Å; I87-V100 HydrophobicContact CG2-CG2 4.34Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4.08Å; F89-V100 HydrophobicContact CG-CG2 4.31Å; Y97-V100 HydrophobicContact CD2-CG2 4.16Å; Y97-V100 VanDerWaalsContact O-CB 3.31Å; Y97-V100 WeakPolarHBondContact O-CB 3.48Å; Y97-V100 WeakPolarHBondContact O-CG2 3.28Å; Y97-V100 PolarHBondContact O-N 3.35Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.04Å; V100-W103 PolarHBondContact O-N 2.84Å; V100-H104 WeakPolarHBondContact O-CB 3.32Å; V100-H104 PolarHBondContact O-N 2.94Å; V100-L118 HydrophobicContact CB-CD1 4.46Å; V100-L118 HydrophobicContact CG1-CD1 3.63Å; V100-L118 HydrophobicContact CG1-CD2 4.43Å; V100-L118 HydrophobicContact CG2-CD1 3.92Å; V100-F137 HydrophobicContact CG1-CD1 3.5Å; V100-F137 HydrophobicContact CG1-CE1 3.75Å; V100-F137 HydrophobicContact CG1-CG 4.14Å |
| 101 | P | 96.4 | Very high | 96 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 34% | 0.344 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.6 | -36.2 | 175.4 | -25.3 | 34.5 | 0 | 0 | 0 | 114.1 | K98 N99 R105 F137 | K98-P101 VanDerWaalsContact O-CD 3.3Å; K98-P101 WeakPolarHBondContact O-CD 3.31Å; N99-P101 VanDerWaalsContact C-CD 3.49Å; P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.4Å; P101-R105 PolarHBondContact O-N 3.2Å; P101-F137 HydrophobicContact CB-CD2 4.33Å; P101-F137 HydrophobicContact CB-CE2 3.7Å; P101-F137 HydrophobicContact CB-CZ 4.21Å; P101-F137 HydrophobicContact CG-CD2 3.79Å; P101-F137 HydrophobicContact CG-CE2 3.68Å; P101-F137 HydrophobicContact CG-CZ 4.41Å |
| 102 | N | 94.2 | Very high | 95.8 | Very high | 63 Ų | 63 | 61 Ų | 61 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.2 | -50.5 | 177.9 | -66.3 | -39.5 | 0 | 0 | 0 | 110.9 | N99 V100 H104 R105 D106 | N99-N102 WeakPolarHBondContact O-CB 3.41Å; N99-N102 PolarHBondContact O-N 2.96Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 3.04Å; N102-H104 VanDerWaalsContact C-N 3.29Å; N102-H104 PolarHBondContact O-N 3.18Å; N102-R105 PolarHBondContact O-N 2.94Å; N102-R105 PolarHBondContact OD1-NH1 2.79Å; N102-R105 PolarHBondContact OD1-NH2 2.86Å; N102-D106 PolarHBondContact O-N 3.22Å |
| 103 | W | 95.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 66.6 Ų | 66.6 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.6 | -41.5 | 176.3 | -71.1 | 107.7 | 0 | 0 | 0 | 112.4 | V15 G16 D17 I87 N99 V100 L107 | V15-W103 HydrophobicContact CB-CD2 4.41Å; V15-W103 HydrophobicContact CB-CE3 3.82Å; V15-W103 HydrophobicContact CB-CZ3 4.26Å; V15-W103 HydrophobicContact CG1-CE3 4.47Å; V15-W103 HydrophobicContact CG2-CB 4.31Å; V15-W103 HydrophobicContact CG2-CE3 4.43Å; G16-W103 VanDerWaalsContact C-CE2 3.43Å; G16-W103 VanDerWaalsContact C-CZ2 3.49Å; G16-W103 WeakPolarHBondContact O-CZ2 3.46Å; D17-W103 PolarHBondContact OD1-NE1 2.88Å; I87-W103 HydrophobicContact CG2-CB 4.12Å; N99-W103 VanDerWaalsContact O-CD1 3.27Å; N99-W103 PolarHBondContact O-N 2.84Å; V100-W103 PolarHBondContact O-N 2.84Å; W103-L107 VanDerWaalsContact O-CB 3.25Å; W103-L107 WeakPolarHBondContact O-CB 3.3Å; W103-L107 PolarHBondContact O-N 2.89Å |
| 104 | H | 95.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 66.2 Ų | 66.2 | 9% | 0.093 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -48.6 | 176.1 | 175.8 | -81.4 | 0 | 0 | 0 | 111.7 | I87 V100 N102 D106 L107 V108 F137 | I87-H104 HydrophobicContact CD1-CB 3.77Å; V100-H104 WeakPolarHBondContact O-CB 3.32Å; V100-H104 PolarHBondContact O-N 2.94Å; N102-H104 VanDerWaalsContact C-N 3.29Å; N102-H104 PolarHBondContact O-N 3.18Å; H104-D106 VanDerWaalsContact C-N 3.32Å; H104-D106 PolarHBondContact O-N 3.18Å; H104-L107 PolarHBondContact O-N 3.13Å; H104-V108 WeakPolarHBondContact O-CG1 3.48Å; H104-V108 WeakPolarHBondContact O-CG2 3.05Å; H104-V108 PolarHBondContact O-N 2.95Å; H104-F137 HydrophobicContact CB-CE1 3.69Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.9Å; H104-F137 AromaticContact CG-CE1 3.73Å; H104-F137 AromaticContact CG-CZ 3.6Å; H104-F137 AromaticContact ND1-CZ 3.91Å |
| 105 | R | 93.9 | Very high | 95.5 | Very high | 133 Ų | 133 | 59.3 Ų | 59.3 | 50% | 0.502 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.7 | -48.3 | 178.7 | 178.2 | -166.1 | 63.9 | -134.9 | -9.1 | 111.1 | P101 N102 L107 R109 | P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.4Å; P101-R105 PolarHBondContact O-N 3.2Å; N102-R105 PolarHBondContact O-N 2.94Å; N102-R105 PolarHBondContact OD1-NH1 2.79Å; N102-R105 PolarHBondContact OD1-NH2 2.86Å; R105-L107 VanDerWaalsContact C-N 3.34Å; R105-R109 WeakPolarHBondContact O-CB 3.42Å; R105-R109 PolarHBondContact O-N 2.98Å; R105-R109 VanDerWaalsContact O-N 3.1Å |
| 106 | D | 92.8 | Very high | 95.6 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 13% | 0.128 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.9 | -37.6 | -176.6 | -59.9 | -8.2 | 0 | 0 | 0 | 110.8 | Y79 N102 H104 | Y79-D106 HydrophobicContact CE2-CB 4.16Å; N102-D106 PolarHBondContact O-N 3.22Å; H104-D106 VanDerWaalsContact C-N 3.32Å; H104-D106 PolarHBondContact O-N 3.18Å |
| 107 | L | 94.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -52.8 | 174.9 | 177.8 | 67.4 | 0 | 0 | 0 | 112.5 | V13 Y79 A85 I87 W103 H104 R105 R109 V110 C111 I114 I116 | V13-L107 HydrophobicContact CG2-CD1 3.48Å; V13-L107 VanDerWaalsContact CG2-CD1 3.48Å; Y79-L107 HydrophobicContact CD1-CD1 4.03Å; Y79-L107 HydrophobicContact CD2-CD1 4.48Å; Y79-L107 HydrophobicContact CG-CD1 4.02Å; A85-L107 HydrophobicContact CB-CD1 4.28Å; A85-L107 HydrophobicContact CB-CD2 3.4Å; A85-L107 VanDerWaalsContact CB-CD2 3.4Å; A85-L107 HydrophobicContact CB-CG 4.46Å; I87-L107 HydrophobicContact CD1-CD2 4.42Å; W103-L107 VanDerWaalsContact O-CB 3.25Å; W103-L107 WeakPolarHBondContact O-CB 3.3Å; W103-L107 PolarHBondContact O-N 2.89Å; H104-L107 PolarHBondContact O-N 3.13Å; R105-L107 VanDerWaalsContact C-N 3.34Å; L107-R109 PolarHBondContact O-N 3.49Å; L107-V110 PolarHBondContact O-N 2.48Å; L107-V110 VanDerWaalsContact O-N 3.09Å; L107-C111 PolarHBondContact O-N 2.84Å; L107-I114 HydrophobicContact CD1-CD1 4.19Å; L107-I114 HydrophobicContact CD2-CD1 4.38Å; L107-I114 HydrophobicContact CG-CD1 4.37Å; L107-I116 HydrophobicContact CD2-CD1 3.66Å; L107-I116 HydrophobicContact CD2-CG1 4Å |
| 108 | V | 95 | Very high | 95.7 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.9 | -19.3 | -175.3 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | H104 V110 I116 | H104-V108 WeakPolarHBondContact O-CG1 3.48Å; H104-V108 WeakPolarHBondContact O-CG2 3.05Å; H104-V108 PolarHBondContact O-N 2.95Å; V108-V110 PolarHBondContact O-N 3.03Å; V108-I116 HydrophobicContact CG1-CD1 4Å |
| 109 | R | 93.8 | Very high | 95.8 | Very high | 181 Ų | 181 | 48.1 Ų | 48.1 | 68% | 0.683 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.2 | -30.1 | 169.9 | 179.1 | -178.9 | 170.1 | -145.7 | -5.4 | 112.3 | D76 R105 L107 | D76-R109 IonicContact OD2-CZ 3.2Å; D76-R109 IonicContact OD2-NH1 2.79Å; D76-R109 PolarHBondContact OD2-NH1 2.66Å; R105-R109 WeakPolarHBondContact O-CB 3.42Å; R105-R109 PolarHBondContact O-N 2.98Å; R105-R109 VanDerWaalsContact O-N 3.1Å; L107-R109 PolarHBondContact O-N 3.49Å |
| 110 | V | 95.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 46 Ų | 46 | 30% | 0.297 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -99.7 | -38.5 | 179.8 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | D76 Y79 I80 L107 V108 | D76-V110 HydrophobicContact CB-CG2 3.93Å; Y79-V110 HydrophobicContact CD2-CB 4.36Å; Y79-V110 HydrophobicContact CD2-CG2 4.02Å; I80-V110 HydrophobicContact CG1-CG1 4.02Å; L107-V110 PolarHBondContact O-N 2.48Å; L107-V110 VanDerWaalsContact O-N 3.09Å; V108-V110 PolarHBondContact O-N 3.03Å |
| 111 | C | 94.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -125.1 | 92.1 | -177.7 | -67.3 | 0 | 0 | 0 | 0 | 110.7 | Y79 L107 I114 | Y79-C111 PolarHBondContact O-SG 2.79Å; L107-C111 PolarHBondContact O-N 2.84Å; C111-I114 HydrophobicContact CB-CD1 3.79Å; C111-I114 HydrophobicContact CB-CG1 4.14Å; C111-I114 HydrophobicContact CB-CG2 3.97Å |
| 112 | E | 92.6 | Very high | 96 | Very high | 152 Ų | 152 | 46.2 Ų | 46.2 | 71% | 0.71 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 139.4 | 174.6 | -62.1 | -177 | -176.7 | 0 | 0 | 110.8 | I114 | E112-I114 VanDerWaalsContact C-N 3.31Å; E112-I114 PolarHBondContact O-N 3.43Å |
| 113 | N | 92.5 | Very high | 96.1 | Very high | 158 Ų | 158 | 43.2 Ų | 43.2 | 85% | 0.845 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 22.4 | 168.8 | -54.9 | -51 | 0 | 0 | 0 | 117.4 | ||
| 114 | I | 97.6 | Very high | 96.1 | Very high | 27 Ų | 27 | 44.1 Ų | 44.1 | 14% | 0.138 | 21% | 0.21 | C | C | . | . | trans | -76.8 | 148 | 171.1 | 62.8 | 168.8 | 0 | 0 | 0 | 111.4 | A82 A85 L107 C111 E112 I116 | A82-I114 HydrophobicContact CB-CD1 4.14Å; A82-I114 WeakPolarHBondContact O-CG2 3.46Å; A85-I114 HydrophobicContact CB-CD1 4.1Å; L107-I114 HydrophobicContact CD1-CD1 4.19Å; L107-I114 HydrophobicContact CD2-CD1 4.38Å; L107-I114 HydrophobicContact CG-CD1 4.37Å; C111-I114 HydrophobicContact CB-CD1 3.79Å; C111-I114 HydrophobicContact CB-CG1 4.14Å; C111-I114 HydrophobicContact CB-CG2 3.97Å; E112-I114 VanDerWaalsContact C-N 3.31Å; E112-I114 PolarHBondContact O-N 3.43Å; I114-I116 HydrophobicContact CD1-CG1 4.42Å; I114-I116 HydrophobicContact CG1-CD1 4.27Å; I114-I116 HydrophobicContact CG1-CG1 3.98Å; I114-I116 WeakPolarHBondContact O-CG1 3.41Å; I114-I116 PolarHBondContact O-N 3.16Å | ||
| 115 | P | 98.4 | Very high | 96 | Very high | 29 Ų | 29 | 46.5 Ų | 46.5 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | trans | -64.3 | 127.8 | 170.1 | 25.4 | -34.5 | 0 | 0 | 0 | 111 | Q83 C84 A85 W162 L163 K166 L167 | Q83-P115 VanDerWaalsContact O-CD 3.3Å; Q83-P115 WeakPolarHBondContact O-CD 3.41Å; C84-P115 VanDerWaalsContact CA-O 3.31Å; C84-P115 WeakPolarHBondContact CA-O 3.11Å; C84-P115 HydrophobicContact CB-CG 4.02Å; A85-P115 PolarHBondContact N-O 2.86Å; P115-W162 HydrophobicContact CB-CH2 4.29Å; P115-W162 HydrophobicContact CB-CZ3 3.8Å; P115-L163 HydrophobicContact CB-CD2 3.84Å; P115-L163 HydrophobicContact CG-CD2 4.21Å; P115-L163 WeakPolarHBondContact O-CD2 3.24Å; P115-K166 HydrophobicContact CB-CB 3.9Å; P115-K166 HydrophobicContact CB-CG 4.38Å; P115-K166 HydrophobicContact CG-CB 4.3Å; P115-L167 HydrophobicContact CG-CD2 3.75Å; P115-L167 HydrophobicContact CG-CG 4.02Å | ||
| 116 | I | 98.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.2 | -177.8 | -57.4 | 165.3 | 0 | 0 | 0 | 109.5 | A85 I87 L107 V108 I114 L143 Q144 | A85-I116 HydrophobicContact CB-CG1 4.13Å; A85-I116 HydrophobicContact CB-CG2 4.4Å; A85-I116 WeakPolarHBondContact O-CA 3.42Å; I87-I116 HydrophobicContact CD1-CG2 3.89Å; I87-I116 HydrophobicContact CG1-CG2 3.84Å; L107-I116 HydrophobicContact CD2-CD1 3.66Å; L107-I116 HydrophobicContact CD2-CG1 4Å; V108-I116 HydrophobicContact CG1-CD1 4Å; I114-I116 HydrophobicContact CD1-CG1 4.42Å; I114-I116 HydrophobicContact CG1-CD1 4.27Å; I114-I116 HydrophobicContact CG1-CG1 3.98Å; I114-I116 WeakPolarHBondContact O-CG1 3.41Å; I114-I116 PolarHBondContact O-N 3.16Å; I116-L143 HydrophobicContact CB-CD2 3.77Å; I116-L143 HydrophobicContact CD1-CD2 4.3Å; I116-L143 HydrophobicContact CG2-CD1 4.2Å; I116-L143 HydrophobicContact CG2-CD2 4.16Å; I116-Q144 PolarHBondContact O-N 3.33Å |
| 117 | V | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129.6 | 171.1 | -176 | 0 | 0 | 0 | 0 | 109.7 | A85 I86 I87 Q144 Y146 P159 W162 L163 | A85-V117 PolarHBondContact O-N 3.38Å; I86-V117 CarbonylContact C-O 3.59Å; I86-V117 VanDerWaalsContact CA-O 3.31Å; I86-V117 WeakPolarHBondContact CA-O 3.39Å; I86-V117 HydrophobicContact CG1-CB 4.39Å; I87-V117 PolarHBondContact N-O 3.48Å; V117-Q144 CarbonylContact C-O 3.6Å; V117-Q144 WeakPolarHBondContact CA-O 3.49Å; V117-Q144 HydrophobicContact CG2-CB 4.35Å; V117-Y146 HydrophobicContact CG1-CD2 3.75Å; V117-Y146 HydrophobicContact CG1-CE2 4.28Å; V117-P159 HydrophobicContact CB-CB 4.45Å; V117-P159 HydrophobicContact CG1-CB 4.02Å; V117-P159 HydrophobicContact CG1-CG 4.42Å; V117-W162 HydrophobicContact CG2-CD2 4.24Å; V117-W162 HydrophobicContact CG2-CE3 3.44Å; V117-W162 VanDerWaalsContact CG2-CE3 3.44Å; V117-W162 HydrophobicContact CG2-CZ3 3.87Å; V117-L163 HydrophobicContact CG2-CD1 4.28Å; V117-L163 HydrophobicContact CG2-CD2 3.83Å; V117-L163 HydrophobicContact CG2-CG 3.74Å |
| 118 | L | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124.5 | 168.6 | -179 | 64.9 | 0 | 0 | 0 | 109.5 | I87 F89 Y97 V100 I135 H138 Q144 Y145 Y146 | I87-L118 HydrophobicContact CB-CD1 4.1Å; I87-L118 HydrophobicContact CG2-CD1 4.14Å; I87-L118 CarbonylContact O-C 3.5Å; I87-L118 WeakPolarHBondContact O-CA 3.31Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.21Å; F89-L118 HydrophobicContact CE1-CD1 3.97Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; F89-L118 HydrophobicContact CE1-CG 3.9Å; Y97-L118 HydrophobicContact CE2-CD2 4.28Å; V100-L118 HydrophobicContact CB-CD1 4.46Å; V100-L118 HydrophobicContact CG1-CD1 3.63Å; V100-L118 HydrophobicContact CG1-CD2 4.43Å; V100-L118 HydrophobicContact CG2-CD1 3.92Å; L118-I135 HydrophobicContact CD2-CG2 4.34Å; L118-H138 HydrophobicContact CD2-CB 4.08Å; L118-Q144 PolarHBondContact N-O 3.4Å; L118-Y145 HydrophobicContact CB-CD2 4.12Å; L118-Y145 HydrophobicContact CD2-CD2 3.95Å; L118-Y145 HydrophobicContact CD2-CE2 4.45Å; L118-Y145 HydrophobicContact CG-CD2 3.88Å; L118-Y145 HydrophobicContact CG-CE2 4.31Å; L118-Y145 WeakPolarHBondContact O-CA 3.41Å; L118-Y145 VanDerWaalsContact O-CD2 3.28Å; L118-Y145 WeakPolarHBondContact O-CD2 3.34Å; L118-Y146 PolarHBondContact O-N 3.34Å |
| 119 | C | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123 | 179.7 | -68.8 | 0 | 0 | 0 | 0 | 111.5 | I86 I87 M88 F89 Y146 I148 P159 | I86-C119 HydrophobicContact CG2-CB 4.23Å; I87-C119 PolarHBondContact O-N 3.01Å; M88-C119 WeakPolarHBondContact CA-O 3.45Å; F89-C119 WeakPolarHBondContact CD1-O 3.28Å; F89-C119 PolarHBondContact N-O 3.41Å; C119-Y146 WeakPolarHBondContact CA-O 3.37Å; C119-I148 HydrophobicContact CB-CD1 3.77Å; C119-I148 HydrophobicContact CB-CG1 4.15Å; C119-P159 VanDerWaalsContact SG-CG 3.54Å |
| 120 | G | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 102 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | F89 Y146 I148 | F89-G120 VanDerWaalsContact CZ-CA 3.47Å; G120-Y146 PolarHBondContact N-O 3.16Å; G120-I148 PolarHBondContact O-N 2.87Å |
| 121 | N | 98.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 165 | -177.4 | -169.2 | 28.6 | 0 | 0 | 0 | 112.5 | T20 M88 F89 V91 I148 S149 A150 | T20-N121 PolarHBondContact O-ND2 3.44Å; M88-N121 HydrophobicContact CG-CB 4.01Å; M88-N121 HydrophobicContact SD-CB 3.91Å; F89-N121 PolarHBondContact O-N 3.4Å; V91-N121 WeakPolarHBondContact CG2-O 3.1Å; V91-N121 PolarHBondContact N-O 3.34Å; N121-I148 CarbonylContact C-O 3.49Å; N121-I148 WeakPolarHBondContact CA-O 3.41Å; N121-I148 HydrophobicContact CB-CD1 4.18Å; N121-I148 HydrophobicContact CB-CG1 3.91Å; N121-I148 PolarHBondContact OD1-O 2.97Å; N121-S149 WeakPolarHBondContact OD1-CA 3.46Å; N121-A150 PolarHBondContact OD1-N 3.3Å |
| 122 | K | 97 | Very high | 96.2 | Very high | 54 Ų | 54 | 50.2 Ų | 50.2 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | trans | 70.5 | 32.5 | 176.8 | -46.1 | -170 | -166.7 | 166.2 | 0 | 114.7 | G19 D90 D124 I125 I148 | G19-K122 WeakPolarHBondContact O-CE 3.38Å; G19-K122 PolarHBondContact O-NZ 2.72Å; D90-K122 WeakPolarHBondContact OD2-CD 3.43Å; D90-K122 VanDerWaalsContact OD2-CE 3.23Å; D90-K122 WeakPolarHBondContact OD2-CE 3.48Å; D90-K122 IonicContact OD2-NZ 2.7Å; D90-K122 PolarHBondContact OD2-NZ 2.89Å; K122-D124 WeakPolarHBondContact CA-OD1 2.96Å; K122-D124 PolarHBondContact O-N 3.34Å; K122-I125 HydrophobicContact CB-CD1 4.04Å; K122-I125 HydrophobicContact CB-CG1 4.44Å; K122-I125 HydrophobicContact CD-CD1 4.21Å; K122-I125 PolarHBondContact O-N 3Å; K122-I125 VanDerWaalsContact O-N 3.09Å; K122-I148 PolarHBondContact N-O 3Å | ||
| 123 | V | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13 | 176.1 | -58.1 | 0 | 0 | 0 | 0 | 113.6 | V91 I125 D147 I148 Y154 M188 Y196 | V91-V123 HydrophobicContact CG1-CG1 4.01Å; V91-V123 HydrophobicContact CG2-CG1 4.12Å; V123-I125 PolarHBondContact O-N 3.29Å; V123-D147 HydrophobicContact CG1-CB 3.85Å; V123-I148 WeakPolarHBondContact CG2-O 3.02Å; V123-I148 PolarHBondContact N-O 2.96Å; V123-Y154 HydrophobicContact CG2-CD1 3.66Å; V123-Y154 HydrophobicContact CG2-CE1 4.17Å; V123-M188 HydrophobicContact CB-CE 4.25Å; V123-M188 HydrophobicContact CG2-CE 3.75Å; V123-M188 HydrophobicContact CG2-SD 4.16Å; V123-Y196 HydrophobicContact CB-CD2 4.15Å; V123-Y196 HydrophobicContact CB-CE2 3.94Å; V123-Y196 WeakPolarHBondContact O-CE2 3.49Å |
| 124 | D | 94.4 | Very high | 96.2 | Very high | 33 Ų | 33 | 46 Ų | 46 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.9 | 170.1 | 58.2 | -70.7 | 0 | 0 | 0 | 113.2 | K122 S149 K151 M188 | K122-D124 WeakPolarHBondContact CA-OD1 2.96Å; K122-D124 PolarHBondContact O-N 3.34Å; D124-S149 VanDerWaalsContact CG-OG 3.25Å; D124-S149 WeakPolarHBondContact OD1-CB 3.19Å; D124-S149 PolarHBondContact OD1-OG 3.47Å; D124-K151 WeakPolarHBondContact OD2-CD 3.18Å; D124-M188 HydrophobicContact CB-SD 4.31Å |
| 125 | I | 94.2 | Very high | 96.1 | Very high | 69 Ų | 69 | 44.9 Ų | 44.9 | 35% | 0.354 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -86.4 | 120.5 | 178 | -58.6 | 177 | 0 | 0 | 0 | 109.9 | T92 K122 V123 D127 | T92-I125 HydrophobicContact CG2-CB 3.73Å; T92-I125 HydrophobicContact CG2-CD1 3.83Å; T92-I125 HydrophobicContact CG2-CG1 4.33Å; T92-I125 HydrophobicContact CG2-CG2 3.75Å; K122-I125 HydrophobicContact CB-CD1 4.04Å; K122-I125 HydrophobicContact CB-CG1 4.44Å; K122-I125 HydrophobicContact CD-CD1 4.21Å; K122-I125 PolarHBondContact O-N 3Å; K122-I125 VanDerWaalsContact O-N 3.09Å; V123-I125 PolarHBondContact O-N 3.29Å; I125-D127 VanDerWaalsContact C-N 3.3Å; I125-D127 PolarHBondContact O-N 2.96Å |
| 126 | K | 91.1 | Very high | 96 | Very high | 176 Ų | 176 | 45.1 Ų | 45.1 | 77% | 0.765 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -59.9 | -34.7 | -177.3 | -65.5 | -171.1 | 177.1 | -174.4 | 0 | 113.9 | R128 | K126-R128 PolarHBondContact O-N 3Š|
| 127 | D | 93.7 | Very high | 95.9 | Very high | 97 Ų | 97 | 45.8 Ų | 45.8 | 52% | 0.519 | 22% | 0.218 | S | C | . | . | trans | -80.7 | 58.9 | -179.3 | -170.3 | 21.5 | 0 | 0 | 0 | 112.3 | I125 K129 | I125-D127 VanDerWaalsContact C-N 3.3Å; I125-D127 PolarHBondContact O-N 2.96Å; D127-K129 VanDerWaalsContact CG-CE 3.46Å; D127-K129 PolarHBondContact O-N 2.98Å; D127-K129 WeakPolarHBondContact OD1-CE 3.3Å; D127-K129 IonicContact OD1-NZ 2.69Å; D127-K129 PolarHBondContact OD1-NZ 3.16Å; D127-K129 WeakPolarHBondContact OD2-CE 3.33Å; D127-K129 IonicContact OD2-NZ 2.81Å; D127-K129 PolarHBondContact OD2-NZ 3.36Å | ||
| 128 | R | 96.6 | Very high | 95.7 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | trans | -67.1 | 116.1 | 178.3 | -179.2 | 174.4 | -176.3 | 155.6 | 9 | 110.9 | V91 K126 V130 D147 Y196 | V91-R128 HydrophobicContact CB-CG 4.09Å; V91-R128 HydrophobicContact CG2-CG 4.08Å; K126-R128 PolarHBondContact O-N 3Å; R128-V130 WeakPolarHBondContact CG-O 3.46Å; R128-V130 PolarHBondContact NE-O 3.01Å; R128-D147 IonicContact CZ-OD1 3.89Å; R128-D147 IonicContact CZ-OD2 3.68Å; R128-D147 IonicContact NH1-OD1 3.37Å; R128-D147 IonicContact NH1-OD2 3Å; R128-D147 PolarHBondContact NH1-OD2 2.82Å; R128-D147 IonicContact NH2-OD1 3.47Å; R128-D147 PolarHBondContact NH2-OD1 3.4Å; R128-D147 IonicContact NH2-OD2 2.96Å; R128-D147 PolarHBondContact NH2-OD2 2.8Å; R128-D147 VanDerWaalsContact NH2-OD2 3.16Å; R128-Y196 VanDerWaalsContact NH1-CD1 3.26Å; R128-Y196 VanDerWaalsContact NH1-CG 3.27Å | ||
| 129 | K | 97.1 | Very high | 95.4 | Very high | 80 Ų | 80 | 51.3 Ų | 51.3 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -91.5 | -29.7 | -179.3 | -57.5 | -56.3 | -172.6 | -170.4 | 0 | 113.9 | V91 T92 R94 D127 | V91-K129 PolarHBondContact O-N 3.45Å; T92-K129 WeakPolarHBondContact O-CG 3.31Å; R94-K129 HydrophobicContact CG-CB 3.95Å; D127-K129 VanDerWaalsContact CG-CE 3.46Å; D127-K129 PolarHBondContact O-N 2.98Å; D127-K129 WeakPolarHBondContact OD1-CE 3.3Å; D127-K129 IonicContact OD1-NZ 2.69Å; D127-K129 PolarHBondContact OD1-NZ 3.16Å; D127-K129 WeakPolarHBondContact OD2-CE 3.33Å; D127-K129 IonicContact OD2-NZ 2.81Å; D127-K129 PolarHBondContact OD2-NZ 3.36Å |
| 130 | V | 96.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -105.3 | 99.8 | 178.1 | -173.4 | 0 | 0 | 0 | 0 | 108.3 | F89 V91 R94 Y97 R128 I135 | F89-V130 HydrophobicContact CE2-CB 4.2Å; F89-V130 HydrophobicContact CE2-CG1 3.87Å; F89-V130 HydrophobicContact CZ-CG1 4.49Å; V91-V130 PolarHBondContact O-N 3.19Å; R94-V130 HydrophobicContact CB-CG2 4.49Å; R94-V130 HydrophobicContact CG-CG2 4.16Å; Y97-V130 HydrophobicContact CD1-CG1 4.07Å; Y97-V130 HydrophobicContact CD2-CG1 4.27Å; Y97-V130 HydrophobicContact CG-CG1 3.85Å; R128-V130 WeakPolarHBondContact CG-O 3.46Å; R128-V130 PolarHBondContact NE-O 3.01Å; V130-I135 HydrophobicContact CG1-CD1 4.02Å; V130-I135 HydrophobicContact CG1-CG1 3.63Å |
| 131 | K | 94.8 | Very high | 94.9 | Very high | 140 Ų | 140 | 60.4 Ų | 60.4 | 61% | 0.609 | 28% | 0.28 | S | S | * | . | trans | -86.5 | 159.6 | -175.8 | -62.4 | -172.2 | 177.3 | -173.9 | 0 | 111.2 | K133 S134 I135 | K131-K133 PolarHBondContact O-N 2.77Å; K131-K133 VanDerWaalsContact O-N 3.13Å; K131-S134 PolarHBondContact N-OG 2.69Å; K131-S134 VanDerWaalsContact N-OG 3.11Å; K131-S134 PolarHBondContact O-N 2.78Å; K131-S134 PolarHBondContact O-OG 3.35Å; K131-I135 PolarHBondContact O-N 3.24Å | ||
| 132 | A | 93.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.033 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -45.6 | -46.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S134 I135 D199 L200 A203 | A132-S134 PolarHBondContact O-N 2.86Å; A132-I135 PolarHBondContact O-N 3.32Å; A132-D199 HydrophobicContact CB-CB 3.86Å; A132-L200 HydrophobicContact CB-CD2 3.76Å; A132-L200 HydrophobicContact CB-CG 4.14Å; A132-A203 HydrophobicContact CB-CB 4.14Å |
| 133 | K | 92.7 | Very high | 94.6 | Very high | 166 Ų | 166 | 65.7 Ų | 65.7 | 72% | 0.722 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -59.1 | -28.2 | 178.7 | -63.8 | -173 | 177.9 | -173.5 | 0 | 114.8 | K131 | K131-K133 PolarHBondContact O-N 2.77Å; K131-K133 VanDerWaalsContact O-N 3.13Å |
| 134 | S | 93.5 | Very high | 94.7 | Very high | 55 Ų | 55 | 68.6 Ų | 68.6 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -84.6 | -12.3 | 177 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | Y97 K131 A132 V136 | Y97-S134 VanDerWaalsContact CE1-O 3.28Å; Y97-S134 WeakPolarHBondContact CE1-O 3.29Å; K131-S134 PolarHBondContact N-OG 2.69Å; K131-S134 VanDerWaalsContact N-OG 3.11Å; K131-S134 PolarHBondContact O-N 2.78Å; K131-S134 PolarHBondContact O-OG 3.35Å; A132-S134 PolarHBondContact O-N 2.86Å; S134-V136 PolarHBondContact O-N 2.91Å; S134-V136 VanDerWaalsContact O-N 3.16Å |
| 135 | I | 95.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.015 | 32% | 0.318 | C | S | . | . | trans | -91.9 | 78 | -172.9 | -59.9 | 158.3 | 0 | 0 | 0 | 109.4 | F89 Y97 L118 V130 K131 A132 H138 Y145 | F89-I135 HydrophobicContact CE2-CD1 4.48Å; F89-I135 HydrophobicContact CZ-CD1 3.94Å; F89-I135 HydrophobicContact CZ-CG1 4.12Å; F89-I135 HydrophobicContact CZ-CG2 4.48Å; Y97-I135 HydrophobicContact CE2-CB 4.38Å; Y97-I135 HydrophobicContact CE2-CG1 4.2Å; Y97-I135 HydrophobicContact CE2-CG2 3.94Å; Y97-I135 VanDerWaalsContact OH-CA 3.28Å; Y97-I135 WeakPolarHBondContact OH-CA 3.37Å; L118-I135 HydrophobicContact CD2-CG2 4.34Å; V130-I135 HydrophobicContact CG1-CD1 4.02Å; V130-I135 HydrophobicContact CG1-CG1 3.63Å; K131-I135 PolarHBondContact O-N 3.24Å; A132-I135 PolarHBondContact O-N 3.32Å; I135-H138 PolarHBondContact O-CE1 3.11Å; I135-H138 PolarHBondContact O-ND1 3.23Å; I135-Y145 HydrophobicContact CD1-CE1 4.34Å; I135-Y145 HydrophobicContact CD1-CE2 4.37Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.34Å; I135-Y145 HydrophobicContact CG2-CD2 3.87Å; I135-Y145 HydrophobicContact CG2-CE1 4.48Å; I135-Y145 HydrophobicContact CG2-CE2 3.76Å; I135-Y145 HydrophobicContact CG2-CG 4.26Å | ||
| 136 | V | 95.5 | Very high | 95 | Very high | 34 Ų | 34 | 66.5 Ų | 66.5 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | trans | -104.7 | -18.2 | -175.3 | -64.5 | 0 | 0 | 0 | 0 | 114 | Y97 S134 H138 R139 K140 L208 | Y97-V136 PolarHBondContact OH-N 2.99Å; S134-V136 PolarHBondContact O-N 2.91Å; S134-V136 VanDerWaalsContact O-N 3.16Å; V136-H138 VanDerWaalsContact C-N 3.28Å; V136-H138 PolarHBondContact O-N 2.97Å; V136-R139 WeakPolarHBondContact O-CB 3.44Å; V136-R139 PolarHBondContact O-N 3.38Å; V136-K140 PolarHBondContact O-N 3.16Å; V136-L208 HydrophobicContact CB-CD2 3.82Å; V136-L208 HydrophobicContact CG1-CD2 3.96Å | ||
| 137 | F | 96.4 | Very high | 95.4 | Very high | 21 Ų | 21 | 58.2 Ų | 58.2 | 9% | 0.092 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55 | -40 | -174.3 | -174.3 | -99.8 | 0 | 0 | 0 | 113.9 | Y97 V100 P101 H104 R139 K140 K141 L143 | Y97-F137 VanDerWaalsContact OH-CB 3.31Å; Y97-F137 WeakPolarHBondContact OH-CB 3.32Å; Y97-F137 PolarHBondContact OH-N 2.84Å; V100-F137 HydrophobicContact CG1-CD1 3.5Å; V100-F137 HydrophobicContact CG1-CE1 3.75Å; V100-F137 HydrophobicContact CG1-CG 4.14Å; P101-F137 HydrophobicContact CB-CD2 4.33Å; P101-F137 HydrophobicContact CB-CE2 3.7Å; P101-F137 HydrophobicContact CB-CZ 4.21Å; P101-F137 HydrophobicContact CG-CD2 3.79Å; P101-F137 HydrophobicContact CG-CE2 3.68Å; P101-F137 HydrophobicContact CG-CZ 4.41Å; H104-F137 HydrophobicContact CB-CE1 3.69Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.9Å; H104-F137 AromaticContact CG-CE1 3.73Å; H104-F137 AromaticContact CG-CZ 3.6Å; H104-F137 AromaticContact ND1-CZ 3.91Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 2.88Å; F137-K140 PolarHBondContact O-N 2.81Å; F137-K141 HydrophobicContact CD1-CG 4.43Å; F137-K141 HydrophobicContact CD2-CG 4.46Å; F137-K141 HydrophobicContact CE1-CB 4.34Å; F137-K141 HydrophobicContact CE1-CG 3.84Å; F137-K141 HydrophobicContact CE2-CG 3.88Å; F137-K141 HydrophobicContact CZ-CB 4.5Å; F137-K141 HydrophobicContact CZ-CG 3.54Å; F137-K141 PolarHBondContact O-N 2.69Å; F137-L143 HydrophobicContact CD1-CD1 4.15Å; F137-L143 HydrophobicContact CE1-CD1 3.97Å |
| 138 | H | 94.4 | Very high | 95.6 | Very high | 33 Ų | 33 | 53.6 Ų | 53.6 | 15% | 0.153 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -34.9 | 179.8 | 72.3 | -81.9 | 0 | 0 | 0 | 112.4 | L118 I135 V136 K141 N142 L143 | L118-H138 HydrophobicContact CD2-CB 4.08Å; I135-H138 PolarHBondContact O-CE1 3.11Å; I135-H138 PolarHBondContact O-ND1 3.23Å; V136-H138 VanDerWaalsContact C-N 3.28Å; V136-H138 PolarHBondContact O-N 2.97Å; H138-K141 PolarHBondContact O-N 2.92Å; H138-N142 CarbonylContact O-C 3.57Å; H138-N142 WeakPolarHBondContact O-CA 3.37Å; H138-N142 PolarHBondContact O-N 3.44Å; H138-L143 HydrophobicContact CB-CB 4.02Å; H138-L143 PolarHBondContact O-N 2.85Å |
| 139 | R | 92.7 | Very high | 95.6 | Very high | 84 Ų | 84 | 52.6 Ų | 52.6 | 32% | 0.317 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.9 | -44.1 | 176 | -61.7 | 175.3 | 62.8 | -170 | 3.3 | 111 | V136 F137 K141 N142 A203 T206 L208 | V136-R139 WeakPolarHBondContact O-CB 3.44Å; V136-R139 PolarHBondContact O-N 3.38Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 2.88Å; R139-K141 PolarHBondContact O-N 2.81Å; R139-N142 PolarHBondContact O-N 2.85Å; R139-A203 PolarHBondContact NH1-O 2.97Å; R139-T206 VanDerWaalsContact CZ-O 3.25Å; R139-T206 PolarHBondContact NH1-O 3.31Å; R139-T206 PolarHBondContact NH2-O 3.44Å; R139-L208 HydrophobicContact CB-CD1 4.12Å; R139-L208 HydrophobicContact CB-CD2 4.02Å |
| 140 | K | 92 | Very high | 95.3 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 35% | 0.348 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.1 | -30.3 | 177.3 | -67.3 | -169.9 | 175.8 | -167.3 | 0 | 112.9 | V136 F137 L208 | V136-K140 PolarHBondContact O-N 3.16Å; F137-K140 PolarHBondContact O-N 2.81Å; K140-L208 HydrophobicContact CG-CD1 4.43Å |
| 141 | K | 94.6 | Very high | 95.1 | Very high | 111 Ų | 111 | 51.3 Ų | 51.3 | 48% | 0.483 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -111.6 | 7.8 | -176.9 | -61.2 | -56.3 | -178.3 | -170.5 | 0 | 114.8 | F137 H138 R139 L143 | F137-K141 HydrophobicContact CD1-CG 4.43Å; F137-K141 HydrophobicContact CD2-CG 4.46Å; F137-K141 HydrophobicContact CE1-CB 4.34Å; F137-K141 HydrophobicContact CE1-CG 3.84Å; F137-K141 HydrophobicContact CE2-CG 3.88Å; F137-K141 HydrophobicContact CZ-CB 4.5Å; F137-K141 HydrophobicContact CZ-CG 3.54Å; F137-K141 PolarHBondContact O-N 2.69Å; H138-K141 PolarHBondContact O-N 2.92Å; R139-K141 PolarHBondContact O-N 2.81Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 HydrophobicContact CB-CD1 4.21Å; K141-L143 HydrophobicContact CB-CD2 4.18Å; K141-L143 HydrophobicContact CB-CG 3.86Å; K141-L143 WeakPolarHBondContact O-CD2 3.36Å; K141-L143 PolarHBondContact O-N 3.07Å |
| 142 | N | 93.5 | Very high | 94.9 | Very high | 150 Ų | 150 | 45.2 Ų | 45.2 | 80% | 0.802 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 42.9 | -177.4 | -166.4 | 32.3 | 0 | 0 | 0 | 113.8 | H138 R139 | H138-N142 CarbonylContact O-C 3.57Å; H138-N142 WeakPolarHBondContact O-CA 3.37Å; H138-N142 PolarHBondContact O-N 3.44Å; R139-N142 PolarHBondContact O-N 2.85Å |
| 143 | L | 97.2 | Very high | 94.8 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | trans | -96 | 151 | 175.6 | -45.5 | -178.3 | 0 | 0 | 0 | 110.3 | I116 F137 H138 K141 | I116-L143 HydrophobicContact CB-CD2 3.77Å; I116-L143 HydrophobicContact CD1-CD2 4.3Å; I116-L143 HydrophobicContact CG2-CD1 4.2Å; I116-L143 HydrophobicContact CG2-CD2 4.16Å; F137-L143 HydrophobicContact CD1-CD1 4.15Å; F137-L143 HydrophobicContact CE1-CD1 3.97Å; H138-L143 HydrophobicContact CB-CB 4.02Å; H138-L143 PolarHBondContact O-N 2.85Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 HydrophobicContact CB-CD1 4.21Å; K141-L143 HydrophobicContact CB-CD2 4.18Å; K141-L143 HydrophobicContact CB-CG 3.86Å; K141-L143 WeakPolarHBondContact O-CD2 3.36Å; K141-L143 PolarHBondContact O-N 3.07Å | ||
| 144 | Q | 97.4 | Very high | 94.8 | Very high | 60 Ų | 60 | 39.8 Ų | 39.8 | 28% | 0.28 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 140.4 | 166.4 | -177.2 | 61.2 | 44.1 | 0 | 0 | 110.1 | I116 V117 L118 Y146 W162 | I116-Q144 PolarHBondContact O-N 3.33Å; V117-Q144 CarbonylContact C-O 3.6Å; V117-Q144 WeakPolarHBondContact CA-O 3.49Å; V117-Q144 HydrophobicContact CG2-CB 4.35Å; L118-Q144 PolarHBondContact N-O 3.4Å; Q144-Y146 HydrophobicContact CG-CD2 4.04Å; Q144-Y146 HydrophobicContact CG-CE2 3.38Å; Q144-W162 HydrophobicContact CB-CD2 3.68Å; Q144-W162 VanDerWaalsContact CB-CE2 3.43Å; Q144-W162 HydrophobicContact CB-CE3 4.08Å; Q144-W162 HydrophobicContact CB-CG 4.14Å; Q144-W162 HydrophobicContact CB-CH2 4.03Å; Q144-W162 HydrophobicContact CB-CZ2 3.63Å; Q144-W162 HydrophobicContact CB-CZ3 4.23Å; Q144-W162 HydrophobicContact CG-CD2 3.95Å; Q144-W162 HydrophobicContact CG-CG 3.84Å |
| 145 | Y | 98.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 38 Ų | 38 | 5% | 0.051 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.9 | 173.4 | 179.9 | -102.8 | 0 | 0 | 0 | 111.9 | F89 L118 I135 D147 L200 | F89-Y145 AromaticContact CE1-CE2 3.68Å; F89-Y145 HydrophobicContact CE1-CE2 3.68Å; F89-Y145 AromaticContact CZ-CE2 3.78Å; F89-Y145 HydrophobicContact CZ-CE2 3.78Å; L118-Y145 HydrophobicContact CB-CD2 4.12Å; L118-Y145 HydrophobicContact CD2-CD2 3.95Å; L118-Y145 HydrophobicContact CD2-CE2 4.45Å; L118-Y145 HydrophobicContact CG-CD2 3.88Å; L118-Y145 HydrophobicContact CG-CE2 4.31Å; L118-Y145 WeakPolarHBondContact O-CA 3.41Å; L118-Y145 VanDerWaalsContact O-CD2 3.28Å; L118-Y145 WeakPolarHBondContact O-CD2 3.34Å; I135-Y145 HydrophobicContact CD1-CE1 4.34Å; I135-Y145 HydrophobicContact CD1-CE2 4.37Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.34Å; I135-Y145 HydrophobicContact CG2-CD2 3.87Å; I135-Y145 HydrophobicContact CG2-CE1 4.48Å; I135-Y145 HydrophobicContact CG2-CE2 3.76Å; I135-Y145 HydrophobicContact CG2-CG 4.26Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.21Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.28Å; Y145-D147 PolarHBondContact OH-OD1 2.88Å; Y145-L200 HydrophobicContact CD1-CD1 4.2Å; Y145-L200 HydrophobicContact CD1-CD2 3.68Å; Y145-L200 HydrophobicContact CE1-CD1 3.86Å; Y145-L200 HydrophobicContact CE1-CD2 3.43Å; Y145-L200 VanDerWaalsContact CE1-CD2 3.43Å; Y145-L200 HydrophobicContact CE1-CG 4.3Å |
| 146 | Y | 98.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 37.8 Ų | 37.8 | 18% | 0.18 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 134.5 | 165.7 | -66.9 | -64.9 | 0 | 0 | 0 | 111.5 | V117 L118 C119 G120 Q144 K158 P159 W162 | V117-Y146 HydrophobicContact CG1-CD2 3.75Å; V117-Y146 HydrophobicContact CG1-CE2 4.28Å; L118-Y146 PolarHBondContact O-N 3.34Å; C119-Y146 WeakPolarHBondContact CA-O 3.37Å; G120-Y146 PolarHBondContact N-O 3.16Å; Q144-Y146 HydrophobicContact CG-CD2 4.04Å; Q144-Y146 HydrophobicContact CG-CE2 3.38Å; Y146-K158 HydrophobicContact CD1-CB 3.97Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4.04Å; Y146-K158 HydrophobicContact CE1-CB 3.91Å; Y146-K158 HydrophobicContact CE1-CD 3.82Å; Y146-K158 HydrophobicContact CE1-CG 4.43Å; Y146-K158 HydrophobicContact CE2-CB 3.96Å; Y146-K158 HydrophobicContact CG-CB 4.06Å; Y146-P159 HydrophobicContact CD2-CG 4.14Å; Y146-W162 HydrophobicContact CE2-CB 4.06Å |
| 147 | D | 98.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 129.9 | 156.3 | -89.2 | -5.1 | 0 | 0 | 0 | 108.4 | V123 R128 Y145 Y154 N155 L200 | V123-D147 HydrophobicContact CG1-CB 3.85Å; R128-D147 IonicContact CZ-OD1 3.89Å; R128-D147 IonicContact CZ-OD2 3.68Å; R128-D147 IonicContact NH1-OD1 3.37Å; R128-D147 IonicContact NH1-OD2 3Å; R128-D147 PolarHBondContact NH1-OD2 2.82Å; R128-D147 IonicContact NH2-OD1 3.47Å; R128-D147 PolarHBondContact NH2-OD1 3.4Å; R128-D147 IonicContact NH2-OD2 2.96Å; R128-D147 PolarHBondContact NH2-OD2 2.8Å; R128-D147 VanDerWaalsContact NH2-OD2 3.16Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.21Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.28Å; Y145-D147 PolarHBondContact OH-OD1 2.88Å; D147-Y154 HydrophobicContact CB-CE1 4.29Å; D147-N155 WeakPolarHBondContact O-CB 3.36Å; D147-N155 PolarHBondContact O-ND2 3.46Å; D147-L200 HydrophobicContact CB-CD1 4.25Å |
| 148 | I | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -134.3 | 158.1 | 177.8 | 68.5 | 168.8 | 0 | 0 | 0 | 111.2 | F25 M88 C119 G120 N121 K122 V123 Y154 N155 P159 | F25-I148 HydrophobicContact CD2-CD1 3.67Å; F25-I148 HydrophobicContact CE2-CD1 3.65Å; F25-I148 HydrophobicContact CZ-CD1 4.47Å; M88-I148 HydrophobicContact CE-CD1 3.81Å; C119-I148 HydrophobicContact CB-CD1 3.77Å; C119-I148 HydrophobicContact CB-CG1 4.15Å; G120-I148 PolarHBondContact O-N 2.87Å; N121-I148 CarbonylContact C-O 3.49Å; N121-I148 WeakPolarHBondContact CA-O 3.41Å; N121-I148 HydrophobicContact CB-CD1 4.18Å; N121-I148 HydrophobicContact CB-CG1 3.91Å; N121-I148 PolarHBondContact OD1-O 2.97Å; K122-I148 PolarHBondContact N-O 3Å; V123-I148 WeakPolarHBondContact CG2-O 3.02Å; V123-I148 PolarHBondContact N-O 2.96Å; I148-Y154 WeakPolarHBondContact CA-O 2.95Å; I148-N155 HydrophobicContact CG2-CB 4.14Å; I148-P159 HydrophobicContact CG2-CG 4.29Å | ||
| 149 | S | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -134.3 | 113.4 | 161.1 | 171.3 | 0 | 0 | 0 | 0 | 110 | N121 D124 K151 S152 N153 Y154 | N121-S149 WeakPolarHBondContact OD1-CA 3.46Å; D124-S149 VanDerWaalsContact CG-OG 3.25Å; D124-S149 WeakPolarHBondContact OD1-CB 3.19Å; D124-S149 PolarHBondContact OD1-OG 3.47Å; S149-K151 PolarHBondContact O-N 3.33Å; S149-K151 VanDerWaalsContact O-N 3.14Å; S149-K151 PolarHBondContact OG-N 3.46Å; S149-K151 VanDerWaalsContact OG-N 3.09Å; S149-S152 WeakPolarHBondContact CB-OG 3.16Å; S149-S152 PolarHBondContact O-N 2.72Å; S149-S152 PolarHBondContact OG-N 3.4Å; S149-S152 VanDerWaalsContact OG-N 3.13Å; S149-S152 PolarHBondContact OG-OG 2.99Å; S149-N153 WeakPolarHBondContact O-CA 3.09Å; S149-N153 PolarHBondContact O-N 3.32Å; S149-Y154 PolarHBondContact N-O 3.24Å; S149-Y154 PolarHBondContact O-N 3.19Å |
| 150 | A | 92.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -15.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T24 F25 R28 F34 N121 F156 | T24-A150 HydrophobicContact CG2-CB 4.22Å; F25-A150 HydrophobicContact CB-CB 4.26Å; R28-A150 WeakPolarHBondContact CD-O 3.46Å; R28-A150 PolarHBondContact NH1-O 2.99Å; F34-A150 WeakPolarHBondContact CD2-O 3.03Å; N121-A150 PolarHBondContact OD1-N 3.3Å; A150-F156 HydrophobicContact CB-CE2 4.29Å |
| 151 | K | 91 | Very high | 95.2 | Very high | 56 Ų | 56 | 33.1 Ų | 33.1 | 24% | 0.243 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -34 | -180 | -167.7 | 174.7 | -171.3 | 179.6 | 0 | 113.5 | R28 F34 D124 S149 E185 I186 | R28-K151 VanDerWaalsContact NH1-CA 3.35Å; R28-K151 PolarHBondContact NH1-O 3.5Å; F34-K151 HydrophobicContact CD2-CB 4.3Å; F34-K151 HydrophobicContact CD2-CG 4.36Å; F34-K151 HydrophobicContact CE1-CD 4.49Å; F34-K151 HydrophobicContact CE1-CG 4.28Å; F34-K151 VanDerWaalsContact CE2-CA 3.45Å; F34-K151 HydrophobicContact CE2-CB 3.6Å; F34-K151 HydrophobicContact CE2-CG 3.85Å; F34-K151 HydrophobicContact CZ-CB 3.91Å; F34-K151 HydrophobicContact CZ-CD 4.11Å; F34-K151 HydrophobicContact CZ-CG 3.79Å; D124-K151 WeakPolarHBondContact OD2-CD 3.18Å; S149-K151 PolarHBondContact O-N 3.33Å; S149-K151 VanDerWaalsContact O-N 3.14Å; S149-K151 PolarHBondContact OG-N 3.46Å; S149-K151 VanDerWaalsContact OG-N 3.09Å; K151-E185 HydrophobicContact CG-CB 4.16Å; K151-E185 PolarHBondContact O-N 3.09Å; K151-I186 HydrophobicContact CD-CD1 4.04Å; K151-I186 HydrophobicContact CD-CG1 4.39Å; K151-I186 VanDerWaalsContact CE-CD1 3.41Å |
| 152 | S | 91 | Very high | 95.4 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 8% | 0.077 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 0.8 | 180 | 65.8 | 0 | 0 | 0 | 0 | 114.5 | S149 Y154 I186 | S149-S152 WeakPolarHBondContact CB-OG 3.16Å; S149-S152 PolarHBondContact O-N 2.72Å; S149-S152 PolarHBondContact OG-N 3.4Å; S149-S152 VanDerWaalsContact OG-N 3.13Å; S149-S152 PolarHBondContact OG-OG 2.99Å; S152-Y154 PolarHBondContact O-N 3.22Å; S152-Y154 WeakPolarHBondContact OG-CB 3.42Å; S152-Y154 PolarHBondContact OG-N 3.06Å; S152-I186 WeakPolarHBondContact CA-O 3.48Å; S152-I186 WeakPolarHBondContact CB-O 3.49Å |
| 153 | N | 91.2 | Very high | 95.6 | Very high | 27 Ų | 27 | 22.7 Ų | 22.7 | 14% | 0.144 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 19.8 | -170.1 | -57.3 | -24.8 | 0 | 0 | 0 | 113.3 | R28 S149 N155 F156 L181 A182 | R28-N153 WeakPolarHBondContact CD-OD1 3.5Å; R28-N153 PolarHBondContact NE-OD1 3.1Å; R28-N153 PolarHBondContact NH1-OD1 2.96Å; S149-N153 WeakPolarHBondContact O-CA 3.09Å; S149-N153 PolarHBondContact O-N 3.32Å; N153-N155 PolarHBondContact O-N 3.33Å; N153-F156 HydrophobicContact CB-CB 4.39Å; N153-F156 WeakPolarHBondContact O-CB 3.34Å; N153-F156 PolarHBondContact O-N 3.04Å; N153-L181 HydrophobicContact CB-CD1 4.29Å; N153-A182 PolarHBondContact ND2-O 2.9Å |
| 154 | Y | 94.2 | Very high | 95.7 | Very high | 29 Ų | 29 | 21.8 Ų | 21.8 | 11% | 0.114 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -68.7 | 124.9 | 179.5 | -179.8 | -110 | 0 | 0 | 0 | 110.8 | V123 D147 I148 S149 S152 F156 M188 A193 E197 | V123-Y154 HydrophobicContact CG2-CD1 3.66Å; V123-Y154 HydrophobicContact CG2-CE1 4.17Å; D147-Y154 HydrophobicContact CB-CE1 4.29Å; I148-Y154 WeakPolarHBondContact CA-O 2.95Å; S149-Y154 PolarHBondContact N-O 3.24Å; S149-Y154 PolarHBondContact O-N 3.19Å; S152-Y154 PolarHBondContact O-N 3.22Å; S152-Y154 WeakPolarHBondContact OG-CB 3.42Å; S152-Y154 PolarHBondContact OG-N 3.06Å; Y154-F156 PolarHBondContact O-N 3.01Å; Y154-M188 HydrophobicContact CD2-CB 4.43Å; Y154-M188 HydrophobicContact CD2-CG 4.06Å; Y154-M188 HydrophobicContact CG-CB 4.48Å; Y154-M188 HydrophobicContact CG-CG 4.05Å; Y154-A193 HydrophobicContact CD2-CB 4.38Å; Y154-A193 HydrophobicContact CE2-CB 3.71Å; Y154-E197 WeakPolarHBondContact OH-CG 3.09Å; Y154-E197 PolarHBondContact OH-OE1 3.15Å |
| 155 | N | 94.3 | Very high | 95.7 | Very high | 17 Ų | 17 | 22.8 Ų | 22.8 | 9% | 0.091 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 27.6 | -178.3 | -67.9 | -23.5 | 0 | 0 | 0 | 114.5 | D147 I148 N153 E157 K158 P159 | D147-N155 WeakPolarHBondContact O-CB 3.36Å; D147-N155 PolarHBondContact O-ND2 3.46Å; I148-N155 HydrophobicContact CG2-CB 4.14Å; N153-N155 PolarHBondContact O-N 3.33Å; N155-E157 VanDerWaalsContact C-N 3.33Å; N155-E157 PolarHBondContact O-N 3.33Å; N155-K158 HydrophobicContact CB-CB 4.48Å; N155-K158 HydrophobicContact CB-CD 3.87Å; N155-K158 HydrophobicContact CB-CG 4.21Å; N155-K158 PolarHBondContact O-N 2.97Å; N155-K158 WeakPolarHBondContact OD1-CD 3.18Å; N155-K158 WeakPolarHBondContact OD1-CE 3.44Å; N155-K158 PolarHBondContact OD1-NZ 3.45Å; N155-P159 VanDerWaalsContact O-CD 3.31Å; N155-P159 WeakPolarHBondContact O-CD 3.29Å |
| 156 | F | 90.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -64.8 | -37.3 | -166.5 | -159.8 | -124.2 | 0 | 0 | 0 | 112.9 | F25 R28 H29 A150 N153 Y154 L181 | F25-F156 HydrophobicContact CB-CE2 4.45Å; F25-F156 AromaticContact CD2-CD2 3.6Å; F25-F156 HydrophobicContact CD2-CD2 3.6Å; F25-F156 AromaticContact CD2-CE2 3.23Å; F25-F156 HydrophobicContact CD2-CE2 3.23Å; F25-F156 HydrophobicContact CD2-CZ 4.14Å; F25-F156 AromaticContact CE2-CD2 3.53Å; F25-F156 HydrophobicContact CE2-CD2 3.53Å; F25-F156 AromaticContact CE2-CE2 3.61Å; F25-F156 HydrophobicContact CE2-CE2 3.61Å; F25-F156 HydrophobicContact CE2-CG 4.34Å; F25-F156 HydrophobicContact CE2-CZ 4.47Å; F25-F156 HydrophobicContact CG-CE2 4.02Å; F25-F156 WeakPolarHBondContact O-CZ 3.48Å; R28-F156 HydrophobicContact CB-CE1 4.22Å; R28-F156 HydrophobicContact CB-CE2 4.46Å; R28-F156 HydrophobicContact CB-CZ 3.6Å; R28-F156 HydrophobicContact CG-CE1 3.86Å; R28-F156 HydrophobicContact CG-CE2 4.44Å; R28-F156 HydrophobicContact CG-CZ 3.6Å; H29-F156 HydrophobicContact CB-CE1 4.26Å; H29-F156 AromaticContact CD2-CD1 3.8Å; H29-F156 AromaticContact CD2-CE1 3.6Å; H29-F156 AromaticContact CE1-CD1 3.09Å; H29-F156 WeakPolarHBondContact CE1-CD1 3.26Å; H29-F156 AromaticContact CE1-CD2 3.7Å; H29-F156 AromaticContact CE1-CE1 2.95Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.4Å; H29-F156 AromaticContact CE1-CE2 3.56Å; H29-F156 AromaticContact CE1-CG 3.46Å; H29-F156 VanDerWaalsContact CE1-CG 3.46Å; H29-F156 WeakPolarHBondContact CE1-CG 3.15Å; H29-F156 AromaticContact CE1-CZ 3.16Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.39Å; H29-F156 PolarHBondContact CE1-O 3.18Å; H29-F156 AromaticContact CG-CE1 3.39Å; H29-F156 AromaticContact CG-CZ 3.83Å; H29-F156 AromaticContact ND1-CD1 3.69Å; H29-F156 AromaticContact ND1-CE1 3.02Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.41Å; H29-F156 AromaticContact ND1-CE2 3.78Å; H29-F156 AromaticContact ND1-CZ 3.03Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.21Å; H29-F156 AromaticContact NE2-CD1 3.19Å; H29-F156 WeakPolarHBondContact NE2-CD1 3.5Å; H29-F156 AromaticContact NE2-CE1 3.36Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.39Å; H29-F156 AromaticContact NE2-CG 3.78Å; H29-F156 PolarHBondContact NE2-O 3.05Å; A150-F156 HydrophobicContact CB-CE2 4.29Å; N153-F156 HydrophobicContact CB-CB 4.39Å; N153-F156 WeakPolarHBondContact O-CB 3.34Å; N153-F156 PolarHBondContact O-N 3.04Å; Y154-F156 PolarHBondContact O-N 3.01Å; F156-L181 HydrophobicContact CD1-CD1 3.69Å; F156-L181 HydrophobicContact CD1-CD2 3.89Å; F156-L181 HydrophobicContact CD1-CG 4.47Å; F156-L181 HydrophobicContact CE1-CD1 4.24Å; F156-L181 HydrophobicContact CE1-CD2 3.6Å | ||
| 157 | E | 92.8 | Very high | 95.7 | Very high | 54 Ų | 54 | 28 Ų | 28 | 25% | 0.252 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -84 | -21.2 | -179.4 | 71.6 | -71.4 | 163.1 | 0 | 0 | 114.1 | N155 F160 L161 F175 | N155-E157 VanDerWaalsContact C-N 3.33Å; N155-E157 PolarHBondContact O-N 3.33Å; E157-F160 PolarHBondContact O-N 2.92Å; E157-F160 VanDerWaalsContact O-N 3.16Å; E157-L161 PolarHBondContact O-N 2.73Å; E157-F175 HydrophobicContact CB-CD2 4.1Å; E157-F175 HydrophobicContact CB-CE2 4Å; E157-F175 HydrophobicContact CG-CD2 4.45Å |
| 158 | K | 96.5 | Very high | 95.7 | Very high | 68 Ų | 68 | 31 Ų | 31 | 30% | 0.296 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -57.8 | -43.3 | -172.9 | -68.4 | -169.9 | 179.5 | 167.9 | 0 | 113.7 | Y146 N155 F160 L161 W162 | Y146-K158 HydrophobicContact CD1-CB 3.97Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4.04Å; Y146-K158 HydrophobicContact CE1-CB 3.91Å; Y146-K158 HydrophobicContact CE1-CD 3.82Å; Y146-K158 HydrophobicContact CE1-CG 4.43Å; Y146-K158 HydrophobicContact CE2-CB 3.96Å; Y146-K158 HydrophobicContact CG-CB 4.06Å; N155-K158 HydrophobicContact CB-CB 4.48Å; N155-K158 HydrophobicContact CB-CD 3.87Å; N155-K158 HydrophobicContact CB-CG 4.21Å; N155-K158 PolarHBondContact O-N 2.97Å; N155-K158 WeakPolarHBondContact OD1-CD 3.18Å; N155-K158 WeakPolarHBondContact OD1-CE 3.44Å; N155-K158 PolarHBondContact OD1-NZ 3.45Å; K158-F160 PolarHBondContact O-N 2.9Å; K158-L161 PolarHBondContact O-N 3.44Å; K158-W162 PolarHBondContact O-N 3.19Å |
| 159 | P | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.7 | -46.9 | 175.7 | -26.3 | 35.9 | 0 | 0 | 0 | 112.7 | F25 I86 V117 C119 Y146 I148 N155 W162 L163 | F25-P159 HydrophobicContact CZ-CG 4.37Å; I86-P159 HydrophobicContact CD1-CB 3.8Å; I86-P159 HydrophobicContact CG1-CB 4.44Å; V117-P159 HydrophobicContact CB-CB 4.45Å; V117-P159 HydrophobicContact CG1-CB 4.02Å; V117-P159 HydrophobicContact CG1-CG 4.42Å; C119-P159 VanDerWaalsContact SG-CG 3.54Å; Y146-P159 HydrophobicContact CD2-CG 4.14Å; I148-P159 HydrophobicContact CG2-CG 4.29Å; N155-P159 VanDerWaalsContact O-CD 3.31Å; N155-P159 WeakPolarHBondContact O-CD 3.29Å; P159-W162 PolarHBondContact O-N 3.17Å; P159-L163 WeakPolarHBondContact O-CB 3.24Å; P159-L163 VanDerWaalsContact O-CG 3.28Å; P159-L163 WeakPolarHBondContact O-CG 3.26Å; P159-L163 PolarHBondContact O-N 2.61Å |
| 160 | F | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | -178.8 | -66.6 | -80.3 | 0 | 0 | 0 | 112.5 | L12 F25 H29 L49 F51 Y60 V62 I86 E157 K158 A164 F175 | L12-F160 HydrophobicContact CD1-CD1 4.09Å; L12-F160 HydrophobicContact CD1-CE1 3.83Å; F25-F160 AromaticContact CE1-CE2 3.43Å; F25-F160 HydrophobicContact CE1-CE2 3.43Å; F25-F160 VanDerWaalsContact CE1-CE2 3.43Å; F25-F160 AromaticContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CE1-CZ 3.69Å; F25-F160 HydrophobicContact CZ-CD2 4.24Å; F25-F160 AromaticContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CE2 3.45Å; F25-F160 VanDerWaalsContact CZ-CE2 3.45Å; F25-F160 HydrophobicContact CZ-CZ 4.2Å; H29-F160 AromaticContact CD2-CE2 3.92Å; H29-F160 AromaticContact CE1-CD2 3.94Å; H29-F160 AromaticContact CE1-CE2 3.3Å; H29-F160 WeakPolarHBondContact CE1-CE2 3.34Å; H29-F160 AromaticContact ND1-CE2 3.72Å; H29-F160 AromaticContact NE2-CD2 3.62Å; H29-F160 AromaticContact NE2-CE2 3.41Å; H29-F160 WeakPolarHBondContact NE2-CE2 3.23Å; L49-F160 HydrophobicContact CD1-CE1 3.98Å; L49-F160 HydrophobicContact CD1-CZ 3.73Å; F51-F160 HydrophobicContact CD1-CB 4.5Å; F51-F160 HydrophobicContact CE1-CB 3.97Å; F51-F160 HydrophobicContact CE1-CD2 4.18Å; F51-F160 HydrophobicContact CE1-CG 4.05Å; F51-F160 HydrophobicContact CE2-CB 4.04Å; F51-F160 AromaticContact CE2-CD1 3.56Å; F51-F160 HydrophobicContact CE2-CD1 3.56Å; F51-F160 HydrophobicContact CE2-CD2 4.32Å; F51-F160 HydrophobicContact CE2-CE1 4.01Å; F51-F160 AromaticContact CE2-CG 3.72Å; F51-F160 HydrophobicContact CE2-CG 3.72Å; F51-F160 HydrophobicContact CZ-CB 3.72Å; F51-F160 AromaticContact CZ-CD1 3.67Å; F51-F160 HydrophobicContact CZ-CD1 3.67Å; F51-F160 AromaticContact CZ-CD2 3.56Å; F51-F160 HydrophobicContact CZ-CD2 3.56Å; F51-F160 HydrophobicContact CZ-CE1 4.11Å; F51-F160 HydrophobicContact CZ-CE2 4.03Å; F51-F160 AromaticContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CG 3.35Å; F51-F160 HydrophobicContact CZ-CZ 4.27Å; Y60-F160 AromaticContact CD2-CD1 3.64Å; Y60-F160 HydrophobicContact CD2-CD1 3.64Å; Y60-F160 HydrophobicContact CD2-CE1 4.28Å; Y60-F160 HydrophobicContact CE2-CB 4.18Å; Y60-F160 AromaticContact CE2-CD1 3.85Å; Y60-F160 HydrophobicContact CE2-CD1 3.85Å; Y60-F160 HydrophobicContact CG-CD1 4.14Å; Y60-F160 HydrophobicContact CG-CE1 4.44Å; Y60-F160 PolarHBondContact OH-O 2.98Å; V62-F160 HydrophobicContact CG2-CE1 4.16Å; I86-F160 HydrophobicContact CD1-CZ 4.4Å; E157-F160 PolarHBondContact O-N 2.92Å; E157-F160 VanDerWaalsContact O-N 3.16Å; K158-F160 PolarHBondContact O-N 2.9Å; F160-A164 VanDerWaalsContact O-CB 3.31Å; F160-A164 WeakPolarHBondContact O-CB 3.38Å; F160-A164 PolarHBondContact O-N 3.5Å; F160-F175 HydrophobicContact CB-CE2 4.28Å; F160-F175 HydrophobicContact CB-CZ 3.97Å |
| 161 | L | 97.8 | Very high | 95.9 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -45 | 177.7 | -177.8 | 59.9 | 0 | 0 | 0 | 111.4 | E157 K158 A164 R165 L173 F175 | E157-L161 PolarHBondContact O-N 2.73Å; K158-L161 PolarHBondContact O-N 3.44Å; L161-A164 PolarHBondContact O-N 2.89Å; L161-R165 WeakPolarHBondContact O-CG 3.36Å; L161-R165 PolarHBondContact O-N 2.85Å; L161-L173 HydrophobicContact CD1-CD2 3.66Å; L161-F175 HydrophobicContact CB-CD2 4.27Å; L161-F175 HydrophobicContact CB-CE2 3.71Å; L161-F175 HydrophobicContact CB-CZ 3.86Å; L161-F175 HydrophobicContact CD1-CD1 3.97Å; L161-F175 HydrophobicContact CD1-CD2 4.34Å; L161-F175 HydrophobicContact CD1-CE1 3.97Å; L161-F175 HydrophobicContact CD1-CE2 4.34Å; L161-F175 HydrophobicContact CD1-CG 4.18Å; L161-F175 HydrophobicContact CD1-CZ 4.17Å |
| 162 | W | 98.5 | Very high | 96.3 | Very high | 43 Ų | 43 | 42.2 Ų | 42.2 | 16% | 0.163 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 177.4 | -174.8 | 97.3 | 0 | 0 | 0 | 111.7 | P115 V117 Q144 Y146 K158 P159 A164 R165 K166 | P115-W162 HydrophobicContact CB-CH2 4.29Å; P115-W162 HydrophobicContact CB-CZ3 3.8Å; V117-W162 HydrophobicContact CG2-CD2 4.24Å; V117-W162 HydrophobicContact CG2-CE3 3.44Å; V117-W162 VanDerWaalsContact CG2-CE3 3.44Å; V117-W162 HydrophobicContact CG2-CZ3 3.87Å; Q144-W162 HydrophobicContact CB-CD2 3.68Å; Q144-W162 VanDerWaalsContact CB-CE2 3.43Å; Q144-W162 HydrophobicContact CB-CE3 4.08Å; Q144-W162 HydrophobicContact CB-CG 4.14Å; Q144-W162 HydrophobicContact CB-CH2 4.03Å; Q144-W162 HydrophobicContact CB-CZ2 3.63Å; Q144-W162 HydrophobicContact CB-CZ3 4.23Å; Q144-W162 HydrophobicContact CG-CD2 3.95Å; Q144-W162 HydrophobicContact CG-CG 3.84Å; Y146-W162 HydrophobicContact CE2-CB 4.06Å; K158-W162 PolarHBondContact O-N 3.19Å; P159-W162 PolarHBondContact O-N 3.17Å; W162-A164 VanDerWaalsContact C-N 3.31Å; W162-A164 PolarHBondContact O-N 2.68Å; W162-R165 PolarHBondContact O-N 3.09Å; W162-K166 HydrophobicContact CD2-CG 4.01Å; W162-K166 HydrophobicContact CE3-CG 3.96Å; W162-K166 HydrophobicContact CH2-CD 4.4Å; W162-K166 HydrophobicContact CH2-CG 3.79Å; W162-K166 HydrophobicContact CZ2-CD 4.18Å; W162-K166 HydrophobicContact CZ2-CG 3.82Å; W162-K166 HydrophobicContact CZ3-CG 3.86Å; W162-K166 WeakPolarHBondContact O-CG 3.35Å; W162-K166 PolarHBondContact O-N 3.32Å |
| 163 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 174.4 | -72.7 | 176.2 | 0 | 0 | 0 | 111.4 | L12 Y60 C84 I86 P115 V117 P159 R165 K166 L167 | L12-L163 HydrophobicContact CD1-CD1 3.53Å; L12-L163 HydrophobicContact CG-CD1 4.39Å; Y60-L163 HydrophobicContact CE1-CB 4.38Å; Y60-L163 WeakPolarHBondContact OH-CB 3.5Å; C84-L163 HydrophobicContact CB-CD1 4.13Å; C84-L163 HydrophobicContact CB-CD2 3.71Å; C84-L163 HydrophobicContact CB-CG 4.38Å; I86-L163 HydrophobicContact CD1-CD1 4.36Å; I86-L163 HydrophobicContact CG1-CD1 3.99Å; P115-L163 HydrophobicContact CB-CD2 3.84Å; P115-L163 HydrophobicContact CG-CD2 4.21Å; P115-L163 WeakPolarHBondContact O-CD2 3.24Å; V117-L163 HydrophobicContact CG2-CD1 4.28Å; V117-L163 HydrophobicContact CG2-CD2 3.83Å; V117-L163 HydrophobicContact CG2-CG 3.74Å; P159-L163 WeakPolarHBondContact O-CB 3.24Å; P159-L163 VanDerWaalsContact O-CG 3.28Å; P159-L163 WeakPolarHBondContact O-CG 3.26Å; P159-L163 PolarHBondContact O-N 2.61Å; L163-R165 PolarHBondContact O-N 3.3Å; L163-K166 PolarHBondContact O-N 2.63Å; L163-L167 HydrophobicContact CB-CD1 4.38Å; L163-L167 WeakPolarHBondContact O-CB 3.47Å; L163-L167 WeakPolarHBondContact O-CD1 3.39Å; L163-L167 WeakPolarHBondContact O-CG 3.11Å; L163-L167 PolarHBondContact O-N 3.02Å |
| 164 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | I58 Y60 F160 L161 W162 K166 L167 I168 L173 | I58-A164 HydrophobicContact CD1-CB 3.96Å; Y60-A164 WeakPolarHBondContact OH-CA 3.33Å; Y60-A164 WeakPolarHBondContact OH-CB 3.47Å; Y60-A164 PolarHBondContact OH-N 3.04Å; F160-A164 VanDerWaalsContact O-CB 3.31Å; F160-A164 WeakPolarHBondContact O-CB 3.38Å; F160-A164 PolarHBondContact O-N 3.5Å; L161-A164 PolarHBondContact O-N 2.89Å; W162-A164 VanDerWaalsContact C-N 3.31Å; W162-A164 PolarHBondContact O-N 2.68Å; A164-K166 VanDerWaalsContact C-N 3.3Å; A164-K166 PolarHBondContact O-N 3.2Å; A164-L167 PolarHBondContact O-N 3.48Å; A164-I168 VanDerWaalsContact O-CB 3.27Å; A164-I168 WeakPolarHBondContact O-CB 3.49Å; A164-I168 WeakPolarHBondContact O-CG1 3.32Å; A164-I168 PolarHBondContact O-N 2.81Å; A164-L173 HydrophobicContact CB-CD1 4.25Å; A164-L173 HydrophobicContact CB-CD2 3.79Å |
| 165 | R | 98.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 46.5 Ų | 46.5 | 30% | 0.302 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.2 | -42.7 | 175.5 | -71.6 | 170.9 | 174 | 177.4 | -5.4 | 112.1 | L161 W162 L163 G169 D170 P171 L173 | L161-R165 WeakPolarHBondContact O-CG 3.36Å; L161-R165 PolarHBondContact O-N 2.85Å; W162-R165 PolarHBondContact O-N 3.09Å; L163-R165 PolarHBondContact O-N 3.3Å; R165-G169 WeakPolarHBondContact O-CA 3.42Å; R165-G169 PolarHBondContact O-N 2.86Å; R165-D170 WeakPolarHBondContact CA-O 3.49Å; R165-D170 WeakPolarHBondContact CG-O 3.33Å; R165-D170 PolarHBondContact O-N 3Å; R165-P171 PolarHBondContact NE-O 3.19Å; R165-L173 HydrophobicContact CG-CB 3.96Å; R165-L173 VanDerWaalsContact CZ-O 3.31Å; R165-L173 PolarHBondContact NE-O 2.81Å; R165-L173 PolarHBondContact NH2-O 3.27Å |
| 166 | K | 98.2 | Very high | 96.8 | Very high | 126 Ų | 126 | 50 Ų | 50 | 55% | 0.548 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.9 | -42.6 | 179 | -72.1 | -63.2 | -172.5 | 179.8 | 0 | 113.1 | P115 W162 L163 A164 | P115-K166 HydrophobicContact CB-CB 3.9Å; P115-K166 HydrophobicContact CB-CG 4.38Å; P115-K166 HydrophobicContact CG-CB 4.3Å; W162-K166 HydrophobicContact CD2-CG 4.01Å; W162-K166 HydrophobicContact CE3-CG 3.96Å; W162-K166 HydrophobicContact CH2-CD 4.4Å; W162-K166 HydrophobicContact CH2-CG 3.79Å; W162-K166 HydrophobicContact CZ2-CD 4.18Å; W162-K166 HydrophobicContact CZ2-CG 3.82Å; W162-K166 HydrophobicContact CZ3-CG 3.86Å; W162-K166 WeakPolarHBondContact O-CG 3.35Å; W162-K166 PolarHBondContact O-N 3.32Å; L163-K166 PolarHBondContact O-N 2.63Å; A164-K166 VanDerWaalsContact C-N 3.3Å; A164-K166 PolarHBondContact O-N 3.2Å |
| 167 | L | 98 | Very high | 96.4 | Very high | 42 Ų | 42 | 55.7 Ų | 55.7 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73 | -37.5 | -177.4 | -69.6 | 164.6 | 0 | 0 | 0 | 112.5 | F10 Y60 Q83 C84 P115 L163 A164 | F10-L167 HydrophobicContact CB-CD1 4.11Å; F10-L167 HydrophobicContact CD1-CB 4.33Å; F10-L167 HydrophobicContact CD1-CD1 3.98Å; F10-L167 HydrophobicContact CD1-CD2 4.08Å; F10-L167 HydrophobicContact CD1-CG 4.37Å; F10-L167 HydrophobicContact CD2-CB 4.44Å; F10-L167 HydrophobicContact CD2-CD1 3.77Å; F10-L167 HydrophobicContact CE1-CB 3.88Å; F10-L167 HydrophobicContact CE1-CD1 4.36Å; F10-L167 HydrophobicContact CE1-CD2 4.22Å; F10-L167 HydrophobicContact CE1-CG 4.39Å; F10-L167 HydrophobicContact CE2-CB 3.97Å; F10-L167 HydrophobicContact CE2-CD1 4.14Å; F10-L167 HydrophobicContact CG-CD1 3.69Å; F10-L167 HydrophobicContact CZ-CB 3.69Å; F10-L167 HydrophobicContact CZ-CD1 4.44Å; Y60-L167 HydrophobicContact CE1-CD1 3.79Å; Q83-L167 HydrophobicContact CB-CD2 4.31Å; Q83-L167 WeakPolarHBondContact O-CD2 3.34Å; C84-L167 HydrophobicContact CB-CD1 3.97Å; C84-L167 HydrophobicContact CB-CD2 4.4Å; P115-L167 HydrophobicContact CG-CD2 3.75Å; P115-L167 HydrophobicContact CG-CG 4.02Å; L163-L167 HydrophobicContact CB-CD1 4.38Å; L163-L167 WeakPolarHBondContact O-CB 3.47Å; L163-L167 WeakPolarHBondContact O-CD1 3.39Å; L163-L167 WeakPolarHBondContact O-CG 3.11Å; L163-L167 PolarHBondContact O-N 3.02Å; A164-L167 PolarHBondContact O-N 3.48Å |
| 168 | I | 97.4 | Very high | 95.3 | Very high | 65 Ų | 65 | 60.4 Ų | 60.4 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -82.1 | -25.1 | 177.6 | -59 | -61.5 | 0 | 0 | 0 | 111.6 | V8 F10 I58 A164 D170 L173 | V8-I168 HydrophobicContact CG1-CD1 3.93Å; F10-I168 HydrophobicContact CE2-CD1 4.03Å; F10-I168 HydrophobicContact CZ-CD1 3.87Å; I58-I168 HydrophobicContact CD1-CD1 3.93Å; I58-I168 HydrophobicContact CD1-CG1 3.67Å; A164-I168 VanDerWaalsContact O-CB 3.27Å; A164-I168 WeakPolarHBondContact O-CB 3.49Å; A164-I168 WeakPolarHBondContact O-CG1 3.32Å; A164-I168 PolarHBondContact O-N 2.81Å; I168-D170 VanDerWaalsContact C-N 3.34Å; I168-D170 HydrophobicContact CG2-CB 4.14Å; I168-L173 HydrophobicContact CB-CD1 4.08Å; I168-L173 HydrophobicContact CG1-CD1 3.82Å; I168-L173 HydrophobicContact CG2-CD1 4.21Å |
| 169 | G | 97.7 | Very high | 93.9 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 65% | 0.649 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 19.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R165 | R165-G169 WeakPolarHBondContact O-CA 3.42Å; R165-G169 PolarHBondContact O-N 2.86Å |
| 170 | D | 97.8 | Very high | 92.4 | Very high | 27 Ų | 27 | 63.7 Ų | 63.7 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | trans | -116.5 | 105.6 | 177.2 | -173.4 | -5.7 | 0 | 0 | 0 | 110.5 | R55 R165 I168 N172 L173 | R55-D170 IonicContact CZ-OD2 3.67Å; R55-D170 IonicContact NE-OD2 3.04Å; R55-D170 PolarHBondContact NE-OD2 2.84Å; R55-D170 IonicContact NH2-OD2 2.68Å; R55-D170 PolarHBondContact NH2-OD2 3Å; R165-D170 WeakPolarHBondContact CA-O 3.49Å; R165-D170 WeakPolarHBondContact CG-O 3.33Å; R165-D170 PolarHBondContact O-N 3Å; I168-D170 VanDerWaalsContact C-N 3.34Å; I168-D170 HydrophobicContact CG2-CB 4.14Å; D170-N172 PolarHBondContact O-N 3.42Å; D170-N172 WeakPolarHBondContact OD1-CA 3.36Å; D170-N172 WeakPolarHBondContact OD1-CB 3.19Å; D170-N172 PolarHBondContact OD1-N 3.3Å; D170-L173 HydrophobicContact CB-CB 4.35Å; D170-L173 WeakPolarHBondContact O-CB 3.43Å; D170-L173 PolarHBondContact O-N 3.11Å | ||
| 171 | P | 97.4 | Very high | 91 | Very high | 95 Ų | 95 | 66 Ų | 66 | 62% | 0.617 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.6 | 177.3 | 27.9 | -34.2 | 0 | 0 | 0 | 113.5 | R165 L173 | R165-P171 PolarHBondContact NE-O 3.19Å; P171-L173 VanDerWaalsContact C-N 3.32Å |
| 172 | N | 97.6 | Very high | 89.7 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 8.5 | 178.8 | -52.7 | -57.8 | 0 | 0 | 0 | 112.6 | N54 D170 E174 | N54-N172 PolarHBondContact ND2-O 3.06Å; D170-N172 PolarHBondContact O-N 3.42Å; D170-N172 WeakPolarHBondContact OD1-CA 3.36Å; D170-N172 WeakPolarHBondContact OD1-CB 3.19Å; D170-N172 PolarHBondContact OD1-N 3.3Å; N172-E174 PolarHBondContact O-N 3.03Å |
| 173 | L | 97.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -64 | 132.4 | 172 | -175.9 | 154.3 | 0 | 0 | 0 | 109.5 | T53 N54 I58 L161 A164 R165 I168 D170 P171 F175 | T53-L173 HydrophobicContact CG2-CD1 4.37Å; T53-L173 HydrophobicContact CG2-CD2 3.91Å; T53-L173 HydrophobicContact CG2-CG 4.3Å; N54-L173 WeakPolarHBondContact OD1-CA 3.35Å; I58-L173 HydrophobicContact CD1-CD1 3.81Å; L161-L173 HydrophobicContact CD1-CD2 3.66Å; A164-L173 HydrophobicContact CB-CD1 4.25Å; A164-L173 HydrophobicContact CB-CD2 3.79Å; R165-L173 HydrophobicContact CG-CB 3.96Å; R165-L173 VanDerWaalsContact CZ-O 3.31Å; R165-L173 PolarHBondContact NE-O 2.81Å; R165-L173 PolarHBondContact NH2-O 3.27Å; I168-L173 HydrophobicContact CB-CD1 4.08Å; I168-L173 HydrophobicContact CG1-CD1 3.82Å; I168-L173 HydrophobicContact CG2-CD1 4.21Å; D170-L173 HydrophobicContact CB-CB 4.35Å; D170-L173 WeakPolarHBondContact O-CB 3.43Å; D170-L173 PolarHBondContact O-N 3.11Å; P171-L173 VanDerWaalsContact C-N 3.32Å; L173-F175 HydrophobicContact CD2-CE1 4.46Å | ||
| 174 | E | 96.4 | Very high | 87.6 | Confident | 115 Ų | 115 | 72.5 Ų | 72.5 | 54% | 0.537 | 42% | 0.416 | S | S | . | . | trans | -134.9 | 147.9 | 179.9 | -68.2 | -177.3 | 169.8 | 0 | 0 | 110.2 | T53 N54 N172 | T53-E174 CarbonylContact C-O 3.53Å; T53-E174 WeakPolarHBondContact CA-O 3.05Å; T53-E174 WeakPolarHBondContact CB-O 3.43Å; N54-E174 PolarHBondContact N-O 2.93Å; N54-E174 PolarHBondContact OD1-N 2.98Å; N54-E174 PolarHBondContact OD1-O 2.97Å; N172-E174 PolarHBondContact O-N 3.03Å | ||
| 175 | F | 94.9 | Very high | 86.6 | Confident | 42 Ų | 42 | 76 Ų | 76 | 18% | 0.184 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | -76.5 | 126.6 | 168.6 | -64.4 | -24.6 | 0 | 0 | 0 | 109.4 | F51 H52 T53 E157 F160 L161 L173 | F51-F175 HydrophobicContact CB-CD1 4.11Å; F51-F175 HydrophobicContact CB-CE1 3.63Å; F51-F175 HydrophobicContact CB-CZ 3.95Å; F51-F175 HydrophobicContact CD1-CD2 4.16Å; F51-F175 HydrophobicContact CD1-CE1 4.06Å; F51-F175 AromaticContact CD1-CE2 3.58Å; F51-F175 HydrophobicContact CD1-CE2 3.58Å; F51-F175 AromaticContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CD1-CZ 3.51Å; F51-F175 HydrophobicContact CE1-CE2 4.03Å; F51-F175 HydrophobicContact CE1-CZ 4.19Å; F51-F175 HydrophobicContact CG-CE1 4.06Å; F51-F175 HydrophobicContact CG-CE2 4.35Å; F51-F175 AromaticContact CG-CZ 3.82Å; F51-F175 HydrophobicContact CG-CZ 3.82Å; H52-F175 WeakPolarHBondContact O-CA 3.18Å; T53-F175 HydrophobicContact CG2-CD1 3.94Å; T53-F175 HydrophobicContact CG2-CE1 4.09Å; E157-F175 HydrophobicContact CB-CD2 4.1Å; E157-F175 HydrophobicContact CB-CE2 4Å; E157-F175 HydrophobicContact CG-CD2 4.45Å; F160-F175 HydrophobicContact CB-CE2 4.28Å; F160-F175 HydrophobicContact CB-CZ 3.97Å; L161-F175 HydrophobicContact CB-CD2 4.27Å; L161-F175 HydrophobicContact CB-CE2 3.71Å; L161-F175 HydrophobicContact CB-CZ 3.86Å; L161-F175 HydrophobicContact CD1-CD1 3.97Å; L161-F175 HydrophobicContact CD1-CD2 4.34Å; L161-F175 HydrophobicContact CD1-CE1 3.97Å; L161-F175 HydrophobicContact CD1-CE2 4.34Å; L161-F175 HydrophobicContact CD1-CG 4.18Å; L161-F175 HydrophobicContact CD1-CZ 4.17Å; L173-F175 HydrophobicContact CD2-CE1 4.46Å |
| 176 | V | 93.1 | Very high | 85.8 | Confident | 90 Ų | 90 | 76 Ų | 76 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -92.3 | -19.8 | -179.1 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | H52 N54 | H52-V176 HydrophobicContact CB-CG2 3.92Å; H52-V176 WeakPolarHBondContact O-CG2 3.21Å; H52-V176 PolarHBondContact O-N 3.38Å; N54-V176 HydrophobicContact CB-CG1 3.94Å |
| 177 | E | 81.8 | Confident | 85.2 | Confident | 120 Ų | 120 | 73.8 Ų | 73.8 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -134.2 | 134.9 | 175.9 | -66.1 | 176.7 | 179.8 | 0 | 0 | 108.5 | H52 | H52-E177 HydrophobicContact CB-CB 4.36Å; H52-E177 IonicContact CG-OE2 3.26Å; H52-E177 IonicContact ND1-OE2 3.87Å |
| 178 | M | 70.3 | Confident | 84.7 | Confident | 152 Ų | 152 | 73 Ų | 73 | 75% | 0.749 | 44% | 0.438 | S | S | * | . | trans | -73.8 | 136.6 | 167.4 | -74.5 | -171.3 | 145.8 | 0 | 0 | 108.6 | A180 | M178-A180 PolarHBondContact O-N 2.91Š| ||
| 179 | P | 65.9 | Low | 84.4 | Confident | 33 Ų | 33 | 73.3 Ų | 73.3 | 21% | 0.214 | 44% | 0.441 | C | S | . | . | trans | -50.6 | 142.7 | 165.7 | -22.5 | 32.1 | 0 | 0 | 0 | 109.4 | F51 L181 | F51-P179 HydrophobicContact CD1-CG 4.08Å; F51-P179 HydrophobicContact CE1-CG 3.91Å; P179-L181 HydrophobicContact CB-CD2 4.39Å; P179-L181 HydrophobicContact CB-CG 4.48Å; P179-L181 PolarHBondContact O-N 3.18Å | ||
| 180 | A | 67.1 | Low | 84.1 | Confident | 104 Ų | 104 | 75.3 Ų | 75.3 | 86% | 0.86 | 44% | 0.442 | S | S | * | . | trans | -67.8 | 80.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | M178 | M178-A180 PolarHBondContact O-N 2.91Š| ||
| 181 | L | 69.7 | Low | 83.9 | Confident | 51 Ų | 51 | 79 Ų | 79 | 27% | 0.267 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 134.7 | 177.9 | -61.1 | 176.2 | 0 | 0 | 0 | 109.3 | R28 N153 F156 P179 | R28-L181 WeakPolarHBondContact O-CD2 3.46Å; N153-L181 HydrophobicContact CB-CD1 4.29Å; F156-L181 HydrophobicContact CD1-CD1 3.69Å; F156-L181 HydrophobicContact CD1-CD2 3.89Å; F156-L181 HydrophobicContact CD1-CG 4.47Å; F156-L181 HydrophobicContact CE1-CD1 4.24Å; F156-L181 HydrophobicContact CE1-CD2 3.6Å; P179-L181 HydrophobicContact CB-CD2 4.39Å; P179-L181 HydrophobicContact CB-CG 4.48Å; P179-L181 PolarHBondContact O-N 3.18Å |
| 182 | A | 69.8 | Low | 83.6 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 32% | 0.322 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 150.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | R28 G32 N153 | R28-A182 PolarHBondContact NH2-O 3.18Å; G32-A182 WeakPolarHBondContact O-CB 3.14Å; G32-A182 PolarHBondContact O-N 3.28Å; N153-A182 PolarHBondContact ND2-O 2.9Å |
| 183 | P | 75.7 | Confident | 83.3 | Confident | 109 Ų | 109 | 71 Ų | 71 | 71% | 0.708 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -48.5 | 144.4 | 178.7 | -28.2 | 34.6 | 0 | 0 | 0 | 112.4 | R28 E185 | R28-P183 PolarHBondContact NH2-O 2.82Å; P183-E185 PolarHBondContact O-N 2.59Å |
| 184 | P | 77.8 | Confident | 83.1 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 39% | 0.39 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 137.7 | 176.2 | 23.1 | -32.4 | 0 | 0 | 0 | 110.8 | R28 I186 | R28-P184 VanDerWaalsContact NH2-CA 3.31Å; P184-I186 WeakPolarHBondContact CB-O 3.49Å; P184-I186 PolarHBondContact O-N 3.26Å |
| 185 | E | 77.1 | Confident | 83 | Confident | 75 Ų | 75 | 73 Ų | 73 | 35% | 0.35 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -66.3 | -31 | 172.2 | -68.6 | -155.2 | 156.8 | 0 | 0 | 111.3 | F34 K36 K151 P183 | F34-E185 HydrophobicContact CB-CG 3.78Å; F34-E185 HydrophobicContact CD1-CG 3.98Å; F34-E185 VanDerWaalsContact CD1-OE1 3.26Å; F34-E185 WeakPolarHBondContact CD1-OE1 3.41Å; F34-E185 WeakPolarHBondContact CD1-OE2 3.25Å; F34-E185 HydrophobicContact CG-CG 3.98Å; K36-E185 VanDerWaalsContact CE-CD 3.44Å; K36-E185 WeakPolarHBondContact CE-OE1 3.4Å; K36-E185 WeakPolarHBondContact CE-OE2 3.43Å; K36-E185 IonicContact NZ-OE1 3.67Å; K151-E185 HydrophobicContact CG-CB 4.16Å; K151-E185 PolarHBondContact O-N 3.09Å; P183-E185 PolarHBondContact O-N 2.59Å |
| 186 | I | 81.6 | Confident | 82.8 | Confident | 80 Ų | 80 | 71.8 Ų | 71.8 | 41% | 0.41 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -140.6 | 130 | 176.7 | -64 | -177.8 | 0 | 0 | 0 | 106.7 | K151 S152 P184 | K151-I186 HydrophobicContact CD-CD1 4.04Å; K151-I186 HydrophobicContact CD-CG1 4.39Å; K151-I186 VanDerWaalsContact CE-CD1 3.41Å; S152-I186 WeakPolarHBondContact CA-O 3.48Å; S152-I186 WeakPolarHBondContact CB-O 3.49Å; P184-I186 WeakPolarHBondContact CB-O 3.49Å; P184-I186 PolarHBondContact O-N 3.26Å |
| 187 | A | 84.4 | Confident | 82.8 | Confident | 79 Ų | 79 | 72 Ų | 72 | 65% | 0.653 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 135.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | D189 | A187-D189 PolarHBondContact O-N 3.13Š|
| 188 | M | 88.6 | Confident | 83.4 | Confident | 24 Ų | 24 | 71.7 Ų | 71.7 | 12% | 0.118 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 130.2 | 168.6 | -171.4 | 64.1 | -178.1 | 0 | 0 | 108.5 | V123 D124 Y154 P190 L192 A193 Y196 | V123-M188 HydrophobicContact CB-CE 4.25Å; V123-M188 HydrophobicContact CG2-CE 3.75Å; V123-M188 HydrophobicContact CG2-SD 4.16Å; D124-M188 HydrophobicContact CB-SD 4.31Å; Y154-M188 HydrophobicContact CD2-CB 4.43Å; Y154-M188 HydrophobicContact CD2-CG 4.06Å; Y154-M188 HydrophobicContact CG-CB 4.48Å; Y154-M188 HydrophobicContact CG-CG 4.05Å; M188-P190 VanDerWaalsContact O-CD 3.24Å; M188-P190 WeakPolarHBondContact O-CD 3.47Å; M188-L192 HydrophobicContact CE-CB 4.43Å; M188-L192 HydrophobicContact CE-CD2 4.1Å; M188-L192 HydrophobicContact CE-CG 4.13Å; M188-A193 HydrophobicContact CE-CB 4.36Å; M188-A193 HydrophobicContact CG-CB 3.99Å; M188-Y196 HydrophobicContact CE-CD2 3.86Å; M188-Y196 HydrophobicContact CE-CE2 3.87Å |
| 189 | D | 90.8 | Very high | 84.5 | Confident | 73 Ų | 73 | 67.5 Ų | 67.5 | 39% | 0.39 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 117.1 | 173.6 | 176.9 | -9.8 | 0 | 0 | 0 | 109 | A187 T191 L192 A193 | A187-D189 PolarHBondContact O-N 3.13Å; D189-T191 PolarHBondContact O-N 3.29Å; D189-T191 WeakPolarHBondContact OD1-CB 3.01Å; D189-T191 PolarHBondContact OD1-N 3.39Å; D189-T191 PolarHBondContact OD1-OG1 3.09Å; D189-L192 HydrophobicContact CB-CB 3.83Å; D189-L192 WeakPolarHBondContact O-CB 3.2Å; D189-L192 PolarHBondContact O-N 2.98Å; D189-L192 VanDerWaalsContact O-N 3.08Å; D189-A193 PolarHBondContact O-N 2.72Å |
| 190 | P | 91 | Very high | 85.7 | Confident | 104 Ų | 104 | 67.8 Ų | 67.8 | 68% | 0.675 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -59 | -32.8 | -177.4 | -24.7 | 34.8 | 0 | 0 | 0 | 113.2 | M188 A193 A194 | M188-P190 VanDerWaalsContact O-CD 3.24Å; M188-P190 WeakPolarHBondContact O-CD 3.47Å; P190-A193 PolarHBondContact O-N 3.44Å; P190-A194 WeakPolarHBondContact O-CB 3.34Å; P190-A194 PolarHBondContact O-N 3.09Å |
| 191 | T | 92.8 | Very high | 86.9 | Confident | 104 Ų | 104 | 68.9 Ų | 68.9 | 64% | 0.638 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67.3 | -42.5 | 177.9 | -45.9 | 0 | 0 | 0 | 0 | 110.2 | D189 Q195 | D189-T191 PolarHBondContact O-N 3.29Å; D189-T191 WeakPolarHBondContact OD1-CB 3.01Å; D189-T191 PolarHBondContact OD1-N 3.39Å; D189-T191 PolarHBondContact OD1-OG1 3.09Å; T191-Q195 WeakPolarHBondContact O-CB 3.24Å; T191-Q195 PolarHBondContact O-N 2.8Å |
| 192 | L | 91.1 | Very high | 88 | Confident | 25 Ų | 25 | 69 Ų | 69 | 13% | 0.131 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69 | -40.6 | 178.1 | -171.8 | 63 | 0 | 0 | 0 | 111.7 | M188 D189 Q195 Y196 | M188-L192 HydrophobicContact CE-CB 4.43Å; M188-L192 HydrophobicContact CE-CD2 4.1Å; M188-L192 HydrophobicContact CE-CG 4.13Å; D189-L192 HydrophobicContact CB-CB 3.83Å; D189-L192 WeakPolarHBondContact O-CB 3.2Å; D189-L192 PolarHBondContact O-N 2.98Å; D189-L192 VanDerWaalsContact O-N 3.08Å; L192-Q195 PolarHBondContact O-N 3.14Å; L192-Y196 HydrophobicContact CD1-CE1 3.86Å; L192-Y196 HydrophobicContact CD1-CE2 3.88Å; L192-Y196 HydrophobicContact CD2-CE2 3.88Å; L192-Y196 HydrophobicContact CG-CD2 4.1Å; L192-Y196 HydrophobicContact CG-CE1 4.41Å; L192-Y196 HydrophobicContact CG-CE2 3.53Å; L192-Y196 WeakPolarHBondContact O-CD2 3.38Å; L192-Y196 PolarHBondContact O-N 3.16Å |
| 193 | A | 91.9 | Very high | 88.9 | Confident | 11 Ų | 11 | 67.8 Ų | 67.8 | 9% | 0.091 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y154 M188 D189 P190 Q195 Y196 E197 | Y154-A193 HydrophobicContact CD2-CB 4.38Å; Y154-A193 HydrophobicContact CE2-CB 3.71Å; M188-A193 HydrophobicContact CE-CB 4.36Å; M188-A193 HydrophobicContact CG-CB 3.99Å; D189-A193 PolarHBondContact O-N 2.72Å; P190-A193 PolarHBondContact O-N 3.44Å; A193-Q195 VanDerWaalsContact C-N 3.31Å; A193-Q195 PolarHBondContact O-N 3.02Å; A193-Y196 PolarHBondContact O-N 3.46Å; A193-E197 WeakPolarHBondContact O-CG 3.32Å; A193-E197 PolarHBondContact O-N 3.26Å |
| 194 | A | 93.1 | Very high | 89.5 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 46% | 0.463 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P190 H198 | P190-A194 WeakPolarHBondContact O-CB 3.34Å; P190-A194 PolarHBondContact O-N 3.09Å; A194-H198 WeakPolarHBondContact O-CB 3.43Å; A194-H198 PolarHBondContact O-N 3.42Å |
| 195 | Q | 93.8 | Very high | 89.9 | Confident | 103 Ų | 103 | 69.3 Ų | 69.3 | 48% | 0.481 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.1 | -46.6 | 175 | -177.3 | 177.3 | 13.1 | 0 | 0 | 111.8 | T191 L192 A193 H198 D199 | T191-Q195 WeakPolarHBondContact O-CB 3.24Å; T191-Q195 PolarHBondContact O-N 2.8Å; L192-Q195 PolarHBondContact O-N 3.14Å; A193-Q195 VanDerWaalsContact C-N 3.31Å; A193-Q195 PolarHBondContact O-N 3.02Å; Q195-H198 WeakPolarHBondContact O-CB 3.12Å; Q195-H198 PolarHBondContact O-N 2.86Å; Q195-D199 WeakPolarHBondContact O-CB 3.2Å; Q195-D199 PolarHBondContact O-N 3.42Å |
| 196 | Y | 92.5 | Very high | 90.3 | Very high | 15 Ų | 15 | 69.2 Ų | 69.2 | 6% | 0.059 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66 | -38.3 | 179.2 | -68.4 | -27.1 | 0 | 0 | 0 | 113 | V123 R128 M188 L192 A193 H198 D199 L200 | V123-Y196 HydrophobicContact CB-CD2 4.15Å; V123-Y196 HydrophobicContact CB-CE2 3.94Å; V123-Y196 WeakPolarHBondContact O-CE2 3.49Å; R128-Y196 VanDerWaalsContact NH1-CD1 3.26Å; R128-Y196 VanDerWaalsContact NH1-CG 3.27Å; M188-Y196 HydrophobicContact CE-CD2 3.86Å; M188-Y196 HydrophobicContact CE-CE2 3.87Å; L192-Y196 HydrophobicContact CD1-CE1 3.86Å; L192-Y196 HydrophobicContact CD1-CE2 3.88Å; L192-Y196 HydrophobicContact CD2-CE2 3.88Å; L192-Y196 HydrophobicContact CG-CD2 4.1Å; L192-Y196 HydrophobicContact CG-CE1 4.41Å; L192-Y196 HydrophobicContact CG-CE2 3.53Å; L192-Y196 WeakPolarHBondContact O-CD2 3.38Å; L192-Y196 PolarHBondContact O-N 3.16Å; A193-Y196 PolarHBondContact O-N 3.46Å; Y196-H198 VanDerWaalsContact C-N 3.35Å; Y196-D199 PolarHBondContact O-N 3.47Å; Y196-L200 WeakPolarHBondContact O-CB 3.26Å; Y196-L200 WeakPolarHBondContact O-CG 3.46Å; Y196-L200 PolarHBondContact O-N 2.73Å |
| 197 | E | 92.4 | Very high | 90.4 | Very high | 94 Ų | 94 | 69.4 Ų | 69.4 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 173.2 | -72.7 | 178.4 | -173.3 | 0 | 0 | 111.7 | Y154 A193 L200 K201 | Y154-E197 WeakPolarHBondContact OH-CG 3.09Å; Y154-E197 PolarHBondContact OH-OE1 3.15Å; A193-E197 WeakPolarHBondContact O-CG 3.32Å; A193-E197 PolarHBondContact O-N 3.26Å; E197-L200 PolarHBondContact O-N 3.08Å; E197-K201 PolarHBondContact O-N 2.92Å |
| 198 | H | 94.4 | Very high | 90.1 | Very high | 115 Ų | 115 | 68.5 Ų | 68.5 | 53% | 0.532 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 174.3 | 179.2 | 72.2 | 0 | 0 | 0 | 111.8 | A194 Q195 Y196 L200 K201 V202 | A194-H198 WeakPolarHBondContact O-CB 3.43Å; A194-H198 PolarHBondContact O-N 3.42Å; Q195-H198 WeakPolarHBondContact O-CB 3.12Å; Q195-H198 PolarHBondContact O-N 2.86Å; Y196-H198 VanDerWaalsContact C-N 3.35Å; H198-L200 VanDerWaalsContact C-N 3.29Å; H198-L200 PolarHBondContact O-N 3.29Å; H198-K201 WeakPolarHBondContact O-CB 3.46Å; H198-K201 PolarHBondContact O-N 3.22Å; H198-K201 VanDerWaalsContact O-N 3.16Å; H198-V202 WeakPolarHBondContact O-CG2 3.09Å; H198-V202 PolarHBondContact O-N 3.31Å |
| 199 | D | 92.9 | Very high | 89.4 | Confident | 63 Ų | 63 | 70.7 Ų | 70.7 | 34% | 0.337 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 179.5 | -76.7 | -9.1 | 0 | 0 | 0 | 112 | A132 Q195 Y196 A203 | A132-D199 HydrophobicContact CB-CB 3.86Å; Q195-D199 WeakPolarHBondContact O-CB 3.2Å; Q195-D199 PolarHBondContact O-N 3.42Å; Y196-D199 PolarHBondContact O-N 3.47Å; D199-A203 VanDerWaalsContact O-CB 3.28Å; D199-A203 WeakPolarHBondContact O-CB 3.44Å; D199-A203 PolarHBondContact O-N 3.4Å |
| 200 | L | 91.7 | Very high | 88.2 | Confident | 40 Ų | 40 | 74 Ų | 74 | 21% | 0.209 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 175.6 | -75.6 | 171.6 | 0 | 0 | 0 | 112.4 | A132 Y145 D147 Y196 E197 H198 A203 S204 | A132-L200 HydrophobicContact CB-CD2 3.76Å; A132-L200 HydrophobicContact CB-CG 4.14Å; Y145-L200 HydrophobicContact CD1-CD1 4.2Å; Y145-L200 HydrophobicContact CD1-CD2 3.68Å; Y145-L200 HydrophobicContact CE1-CD1 3.86Å; Y145-L200 HydrophobicContact CE1-CD2 3.43Å; Y145-L200 VanDerWaalsContact CE1-CD2 3.43Å; Y145-L200 HydrophobicContact CE1-CG 4.3Å; D147-L200 HydrophobicContact CB-CD1 4.25Å; Y196-L200 WeakPolarHBondContact O-CB 3.26Å; Y196-L200 WeakPolarHBondContact O-CG 3.46Å; Y196-L200 PolarHBondContact O-N 2.73Å; E197-L200 PolarHBondContact O-N 3.08Å; H198-L200 VanDerWaalsContact C-N 3.29Å; H198-L200 PolarHBondContact O-N 3.29Å; L200-A203 PolarHBondContact O-N 3.22Å; L200-S204 PolarHBondContact O-N 2.79Å |
| 201 | K | 92.1 | Very high | 86.7 | Confident | 127 Ų | 127 | 76 Ų | 76 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.9 | -49.9 | 175.5 | -174.2 | -178.9 | 176.9 | -174.4 | 0 | 110.7 | E197 H198 A203 S204 E205 | E197-K201 PolarHBondContact O-N 2.92Å; H198-K201 WeakPolarHBondContact O-CB 3.46Å; H198-K201 PolarHBondContact O-N 3.22Å; H198-K201 VanDerWaalsContact O-N 3.16Å; K201-A203 VanDerWaalsContact C-N 3.32Å; K201-A203 PolarHBondContact O-N 3.39Å; K201-S204 PolarHBondContact O-N 2.65Å; K201-S204 VanDerWaalsContact O-N 3.12Å; K201-S204 PolarHBondContact O-OG 2.78Å; K201-E205 VanDerWaalsContact CE-OE1 3.26Å; K201-E205 WeakPolarHBondContact CE-OE1 3.46Å; K201-E205 PolarHBondContact O-N 3.29Å |
| 202 | V | 92.6 | Very high | 84.7 | Confident | 52 Ų | 52 | 78.7 Ų | 78.7 | 32% | 0.315 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | H198 S204 E205 T206 | H198-V202 WeakPolarHBondContact O-CG2 3.09Å; H198-V202 PolarHBondContact O-N 3.31Å; V202-S204 VanDerWaalsContact C-N 3.32Å; V202-S204 PolarHBondContact O-N 2.7Å; V202-E205 PolarHBondContact O-N 3.27Å; V202-T206 PolarHBondContact O-N 3.18Å; V202-T206 VanDerWaalsContact O-N 3.16Å; V202-T206 PolarHBondContact O-OG1 2.71Å |
| 203 | A | 89.5 | Confident | 82.7 | Confident | 15 Ų | 15 | 83.9 Ų | 83.9 | 12% | 0.124 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.1 | -32.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | A132 R139 D199 L200 K201 E205 T206 | A132-A203 HydrophobicContact CB-CB 4.14Å; R139-A203 PolarHBondContact NH1-O 2.97Å; D199-A203 VanDerWaalsContact O-CB 3.28Å; D199-A203 WeakPolarHBondContact O-CB 3.44Å; D199-A203 PolarHBondContact O-N 3.4Å; L200-A203 PolarHBondContact O-N 3.22Å; K201-A203 VanDerWaalsContact C-N 3.32Å; K201-A203 PolarHBondContact O-N 3.39Å; A203-E205 VanDerWaalsContact C-N 3.34Å; A203-T206 PolarHBondContact O-N 3.4Å |
| 204 | S | 86.9 | Confident | 80.4 | Confident | 64 Ų | 64 | 90 Ų | 90 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -30.3 | 176.4 | 72.5 | 0 | 0 | 0 | 0 | 113.4 | L200 K201 V202 | L200-S204 PolarHBondContact O-N 2.79Å; K201-S204 PolarHBondContact O-N 2.65Å; K201-S204 VanDerWaalsContact O-N 3.12Å; K201-S204 PolarHBondContact O-OG 2.78Å; V202-S204 VanDerWaalsContact C-N 3.32Å; V202-S204 PolarHBondContact O-N 2.7Å |
| 205 | E | 87.5 | Confident | 78 | Confident | 136 Ų | 136 | 96.6 Ų | 96.6 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -83.7 | -17.5 | 178.3 | -67.5 | 169.9 | -173 | 0 | 0 | 112.5 | K201 V202 A203 | K201-E205 VanDerWaalsContact CE-OE1 3.26Å; K201-E205 WeakPolarHBondContact CE-OE1 3.46Å; K201-E205 PolarHBondContact O-N 3.29Å; V202-E205 PolarHBondContact O-N 3.27Å; A203-E205 VanDerWaalsContact C-N 3.34Å |
| 206 | T | 85.4 | Confident | 77.2 | Confident | 74 Ų | 74 | 96.3 Ų | 96.3 | 45% | 0.454 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -76.3 | 141.2 | 177.5 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | R139 V202 A203 | R139-T206 VanDerWaalsContact CZ-O 3.25Å; R139-T206 PolarHBondContact NH1-O 3.31Å; R139-T206 PolarHBondContact NH2-O 3.44Å; V202-T206 PolarHBondContact O-N 3.18Å; V202-T206 VanDerWaalsContact O-N 3.16Å; V202-T206 PolarHBondContact O-OG1 2.71Å; A203-T206 PolarHBondContact O-N 3.4Å |
| 207 | A | 82.5 | Confident | 76.4 | Confident | 83 Ų | 83 | 100.5 Ų | 100.5 | 69% | 0.686 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 148 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 208 | L | 79.3 | Confident | 75.5 | Confident | 60 Ų | 60 | 100.9 Ų | 100.9 | 31% | 0.314 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 140.8 | 171.2 | -72 | 172.6 | 0 | 0 | 0 | 108.6 | V136 R139 K140 | V136-L208 HydrophobicContact CB-CD2 3.82Å; V136-L208 HydrophobicContact CG1-CD2 3.96Å; R139-L208 HydrophobicContact CB-CD1 4.12Å; R139-L208 HydrophobicContact CB-CD2 4.02Å; K140-L208 HydrophobicContact CG-CD1 4.43Å |
| 209 | P | 73.4 | Confident | 74.4 | Confident | 70 Ų | 70 | 100.1 Ų | 100.1 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 143.9 | 167.6 | 25.7 | -31.2 | 0 | 0 | 0 | 109.1 | ||
| 210 | D | 66.3 | Low | 73.2 | Confident | 142 Ų | 142 | 102.4 Ų | 102.4 | 76% | 0.759 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 147 | 178.9 | -65.5 | -41.2 | 0 | 0 | 0 | 110.5 | D212 | D210-D212 PolarHBondContact O-N 3.36Š|
| 211 | E | 58.7 | Low | 72 | Confident | 148 Ų | 148 | 106.5 Ų | 106.5 | 69% | 0.692 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -10.4 | -169.1 | -70.2 | -171.7 | 146.7 | 0 | 0 | 114.7 | D213 | E211-D213 PolarHBondContact O-N 2.97Å; E211-D213 VanDerWaalsContact O-N 3.16Å |
| 212 | D | 50.3 | Low | 70.6 | Confident | 159 Ų | 159 | 105.1 Ų | 105.1 | 85% | 0.85 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -6.1 | -176.4 | -65.2 | -31 | 0 | 0 | 0 | 114.8 | D210 D214 | D210-D212 PolarHBondContact O-N 3.36Å; D212-D214 VanDerWaalsContact C-N 3.34Å; D212-D214 PolarHBondContact O-N 3.18Å |
| 213 | D | 49.3 | Very low | 68.9 | Low | 135 Ų | 135 | 109.2 Ų | 109.2 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | trans | -93.6 | 47.6 | 171.6 | -88.4 | -20.3 | 0 | 0 | 0 | 112.3 | E211 L215 | E211-D213 PolarHBondContact O-N 2.97Å; E211-D213 VanDerWaalsContact O-N 3.16Å; D213-L215 PolarHBondContact O-N 3.2Å | ||
| 214 | D | 43.8 | Very low | 67.2 | Low | 138 Ų | 138 | 117 Ų | 117 | 74% | 0.738 | 65% | 0.648 | S | S | * | * | trans | -68 | 111.1 | 176.4 | -85.9 | -24.8 | 0 | 0 | 0 | 111.7 | D212 | D212-D214 VanDerWaalsContact C-N 3.34Å; D212-D214 PolarHBondContact O-N 3.18Å | ||
| 215 | L | 42.7 | Very low | 65.4 | Low | 195 Ų | 195 | 121.8 Ų | 121.8 | 100% | 1.021 | 67% | 0.666 | S | S | * | * | trans | -90.5 | 0 | 173.2 | -88.2 | 169.6 | 0 | 0 | 0 | 113.7 | K98 D213 | K98-L215 WeakPolarHBondContact CE-OXT 2.73Å; D213-L215 PolarHBondContact O-N 3.2Å |
Retrieved 215 of 215 residues in 70.5 ms
(Link to these results)