| 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 | Very low | 72.7 | Confident | 237 Ų | 237 | 90.2 Ų | 90.2 | 100% | 1.167 | 54% | 0.538 | S | S | * | . | 0 | 111.9 | 0 | -66.2 | 176.8 | -168.7 | 0 | 0 | 106 | T3 | M1-T3 PolarHBondContact O-N 3.24Å; M1-T3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | A | 41.6 | Very low | 74.8 | Confident | 104 Ų | 104 | 83 Ų | 83 | 86% | 0.86 | 50% | 0.495 | S | S | * | . | trans | -64.6 | 112.9 | 177 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | T | 43.7 | Very low | 76.6 | Confident | 110 Ų | 110 | 76.6 Ų | 76.6 | 68% | 0.675 | 46% | 0.456 | S | S | * | . | trans | -59.8 | 137.6 | 167.9 | 44.8 | 0 | 0 | 0 | 0 | 107.8 | M1 D5 | M1-T3 PolarHBondContact O-N 3.24Å; M1-T3 VanDerWaalsContact O-N 3.11Å; T3-D5 PolarHBondContact O-N 3.25Å | ||
| 4 | G | 54.7 | Low | 78.1 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 54% | 0.536 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 14.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 5 | D | 61.6 | Low | 79.3 | Confident | 154 Ų | 154 | 66.5 Ų | 66.5 | 82% | 0.824 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -11.8 | -177.3 | -76.2 | -25.2 | 0 | 0 | 0 | 114.5 | T3 | T3-D5 PolarHBondContact O-N 3.25Š|
| 6 | D | 83.9 | Confident | 80.4 | Confident | 149 Ų | 149 | 62.4 Ų | 62.4 | 80% | 0.797 | 37% | 0.372 | S | S | * | . | trans | -108.3 | 26.3 | -174 | -154.9 | 21.3 | 0 | 0 | 0 | 114.4 | P8 | D6-P8 WeakPolarHBondContact O-CD 3.46Š| ||
| 7 | I | 91.3 | Very high | 81.4 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -81.7 | 120.1 | 176.2 | -58.6 | 177.6 | 0 | 0 | 0 | 108.9 | T9 I50 Q57 R59 | I7-T9 PolarHBondContact O-N 3.29Å; I7-T9 PolarHBondContact O-OG1 3.3Å; I7-I50 HydrophobicContact CD1-CD1 4.4Å; I7-Q57 HydrophobicContact CD1-CB 4.28Å; I7-Q57 HydrophobicContact CG1-CB 4.39Å; I7-Q57 HydrophobicContact CG2-CB 4.05Å; I7-R59 HydrophobicContact CG2-CB 3.96Å |
| 8 | P | 95 | Very high | 82.1 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 43% | 0.429 | 35% | 0.349 | S | S | . | . | trans | -50.9 | 115.7 | 173.3 | -27.6 | 35.4 | 0 | 0 | 0 | 110.8 | D6 F10 R59 | D6-P8 WeakPolarHBondContact O-CD 3.46Å; P8-F10 HydrophobicContact CB-CE2 4.07Å; P8-F10 HydrophobicContact CB-CZ 4.45Å; P8-R59 PolarHBondContact O-N 2.88Å | ||
| 9 | T | 96.5 | Very high | 82.7 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128 | -171.4 | -61.5 | 0 | 0 | 0 | 0 | 110 | I7 R59 N61 | I7-T9 PolarHBondContact O-N 3.29Å; I7-T9 PolarHBondContact O-OG1 3.3Å; T9-R59 CarbonylContact C-O 3.59Å; T9-R59 VanDerWaalsContact CA-O 3.29Å; T9-R59 WeakPolarHBondContact CA-O 3.48Å; T9-R59 HydrophobicContact CG2-CB 4.19Å; T9-R59 HydrophobicContact CG2-CG 4.19Å; T9-R59 PolarHBondContact OG1-NH1 2.89Å; T9-N61 WeakPolarHBondContact CG2-ND2 3.4Å |
| 10 | F | 97.8 | Very high | 83.4 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 11% | 0.114 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.2 | -179.2 | -58.8 | -84.7 | 0 | 0 | 0 | 111.2 | P8 L12 R59 F60 N61 Q83 L167 L168 | P8-F10 HydrophobicContact CB-CE2 4.07Å; P8-F10 HydrophobicContact CB-CZ 4.45Å; F10-L12 PolarHBondContact O-N 3.45Å; F10-R59 PolarHBondContact N-O 2.8Å; F10-F60 HydrophobicContact CB-CD1 3.76Å; F10-F60 HydrophobicContact CB-CE1 3.78Å; F10-F60 HydrophobicContact CD2-CE1 4.46Å; F10-F60 HydrophobicContact CG-CE1 4.4Å; F10-F60 CarbonylContact O-C 3.58Å; F10-F60 WeakPolarHBondContact O-CA 3.42Å; F10-N61 PolarHBondContact O-N 2.99Å; F10-Q83 VanDerWaalsContact CA-OE1 3.25Å; F10-Q83 HydrophobicContact CD1-CB 4.46Å; F10-L167 HydrophobicContact CB-CD1 4.12Å; F10-L167 HydrophobicContact CD1-CB 4.47Å; F10-L167 HydrophobicContact CD1-CD1 3.94Å; F10-L167 HydrophobicContact CD1-CD2 4.09Å; F10-L167 HydrophobicContact CD1-CG 4.41Å; F10-L167 HydrophobicContact CD2-CD1 4.29Å; F10-L167 HydrophobicContact CE1-CB 4.2Å; F10-L167 HydrophobicContact CE1-CD1 4.47Å; F10-L167 HydrophobicContact CE1-CD2 4.37Å; F10-L167 HydrophobicContact CG-CD1 3.85Å; F10-L167 HydrophobicContact CZ-CB 4.39Å; F10-L168 HydrophobicContact CE2-CD2 4.13Å; F10-L168 HydrophobicContact CZ-CD2 3.68Å |
| 11 | K | 97.8 | Very high | 83.9 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 10% | 0.1 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 114.5 | 169.5 | 179.8 | 168.9 | 170.4 | 172.2 | 0 | 109.9 | W63 Y78 I80 Q83 C84 | K11-W63 HydrophobicContact CD-CD2 4.35Å; K11-W63 HydrophobicContact CD-CZ2 4.28Å; K11-W63 VanDerWaalsContact CE-CD2 3.49Å; K11-W63 HydrophobicContact CG-CG 4.38Å; K11-Y78 WeakPolarHBondContact CE-O 3.43Å; K11-Y78 PolarHBondContact NZ-O 2.78Å; K11-I80 WeakPolarHBondContact CE-O 3.28Å; K11-I80 PolarHBondContact NZ-O 3Å; K11-Q83 PolarHBondContact O-N 2.89Å; K11-C84 PolarHBondContact O-N 3.39Å |
| 12 | L | 98.2 | Very high | 86.8 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.8 | 173.4 | -172.8 | 158.5 | 0 | 0 | 0 | 108.9 | F10 L14 F60 N61 V62 W63 C84 I86 L163 | F10-L12 PolarHBondContact O-N 3.45Å; L12-L14 HydrophobicContact CD2-CB 4.2Å; L12-F60 HydrophobicContact CB-CB 4.23Å; L12-F60 HydrophobicContact CB-CD1 3.86Å; L12-F60 HydrophobicContact CB-CG 4.2Å; L12-F60 HydrophobicContact CD1-CB 4.42Å; L12-F60 HydrophobicContact CD1-CD1 4.01Å; L12-F60 HydrophobicContact CD1-CD2 4.08Å; L12-F60 HydrophobicContact CD1-CE1 4.26Å; L12-F60 HydrophobicContact CD1-CE2 4.31Å; L12-F60 HydrophobicContact CD1-CG 3.93Å; L12-F60 HydrophobicContact CD1-CZ 4.4Å; L12-N61 PolarHBondContact N-O 3.33Å; L12-V62 HydrophobicContact CB-CG2 4.27Å; L12-V62 HydrophobicContact CD1-CG2 4.49Å; L12-V62 HydrophobicContact CD2-CG1 3.95Å; L12-V62 HydrophobicContact CD2-CG2 4.29Å; L12-V62 CarbonylContact O-C 3.56Å; L12-V62 WeakPolarHBondContact O-CA 3.41Å; L12-W63 PolarHBondContact O-N 3.23Å; L12-C84 WeakPolarHBondContact CA-O 3.43Å; L12-I86 HydrophobicContact CD1-CD1 4.16Å; L12-I86 HydrophobicContact CD1-CG1 4.43Å; L12-I86 HydrophobicContact CD2-CB 4.49Å; L12-I86 HydrophobicContact CD2-CD1 4.23Å; L12-I86 HydrophobicContact CD2-CG1 4.2Å; L12-L163 HydrophobicContact CD1-CD1 3.63Å; L12-L163 HydrophobicContact CG-CD1 4.34Å |
| 13 | V | 97.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.3 | 175.3 | -169.2 | 0 | 0 | 0 | 0 | 109.4 | V15 T65 Y79 C84 A85 I86 L107 | V13-V15 HydrophobicContact CG1-CG1 3.58Å; V13-T65 HydrophobicContact CG1-CG2 4.2Å; V13-Y79 HydrophobicContact CG1-CD1 3.51Å; V13-Y79 HydrophobicContact CG1-CE1 3.74Å; V13-C84 PolarHBondContact N-O 2.9Å; V13-A85 HydrophobicContact CB-CB 4.28Å; V13-A85 CarbonylContact O-C 3.57Å; V13-A85 WeakPolarHBondContact O-CA 3.38Å; V13-A85 VanDerWaalsContact O-CB 3.3Å; V13-A85 WeakPolarHBondContact O-CB 3.29Å; V13-I86 PolarHBondContact O-N 3.31Å; V13-L107 HydrophobicContact CB-CD1 4.35Å; V13-L107 HydrophobicContact CG1-CD1 4.37Å |
| 14 | L | 97.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 112.7 | 177.8 | 177.9 | 61.2 | 0 | 0 | 0 | 109.8 | L12 K22 F25 V26 V62 W63 T65 I86 M88 | L12-L14 HydrophobicContact CD2-CB 4.2Å; L14-K22 HydrophobicContact CD1-CB 4.43Å; L14-K22 HydrophobicContact CD1-CD 4.41Å; L14-K22 HydrophobicContact CD1-CG 4.09Å; L14-K22 HydrophobicContact CD2-CB 3.66Å; L14-K22 HydrophobicContact CD2-CG 4.22Å; L14-K22 HydrophobicContact CG-CB 3.86Å; L14-K22 HydrophobicContact CG-CD 4Å; L14-K22 HydrophobicContact CG-CG 3.88Å; L14-F25 HydrophobicContact CD2-CD1 4.46Å; L14-V26 HydrophobicContact CD2-CG2 3.35Å; L14-V62 HydrophobicContact CB-CG1 4.04Å; L14-V62 HydrophobicContact CD2-CG1 4.27Å; L14-W63 PolarHBondContact N-O 3.06Å; L14-T65 PolarHBondContact O-N 3.01Å; L14-T65 VanDerWaalsContact O-N 3.16Å; L14-T65 PolarHBondContact O-OG1 2.93Å; L14-I86 HydrophobicContact CD1-CB 3.69Å; L14-I86 HydrophobicContact CD1-CG2 3.63Å; L14-M88 HydrophobicContact CD1-CE 4.22Å |
| 15 | V | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 166.5 | -172.6 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | V13 K22 T65 Y79 I86 I87 M88 W103 | V13-V15 HydrophobicContact CG1-CG1 3.58Å; V15-K22 VanDerWaalsContact C-CD 3.46Å; V15-T65 HydrophobicContact CG1-CG2 4.41Å; V15-Y79 HydrophobicContact CG1-CD1 4.46Å; V15-Y79 HydrophobicContact CG1-CE1 3.5Å; V15-Y79 VanDerWaalsContact CG1-CE1 3.5Å; V15-I86 PolarHBondContact N-O 3.3Å; V15-I87 HydrophobicContact CG2-CB 4.18Å; V15-I87 HydrophobicContact CG2-CG1 3.68Å; V15-I87 HydrophobicContact CG2-CG2 4.26Å; V15-I87 WeakPolarHBondContact O-CA 3.47Å; V15-M88 PolarHBondContact O-N 3.46Å; V15-W103 HydrophobicContact CB-CD2 4.39Å; V15-W103 HydrophobicContact CB-CE3 3.76Å; V15-W103 HydrophobicContact CB-CZ3 4.15Å; V15-W103 HydrophobicContact CG1-CE3 4.43Å; V15-W103 HydrophobicContact CG2-CB 4.28Å; V15-W103 HydrophobicContact CG2-CE3 4.33Å |
| 16 | G | 97.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | trans | 135 | 167.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K22 G67 M88 W103 | G16-K22 WeakPolarHBondContact O-CE 3.4Å; G16-K22 PolarHBondContact O-NZ 2.92Å; G16-G67 WeakPolarHBondContact O-CA 3.46Å; G16-M88 WeakPolarHBondContact CA-O 3.5Å; G16-W103 VanDerWaalsContact C-CE2 3.4Å; G16-W103 VanDerWaalsContact C-CZ2 3.41Å; G16-W103 VanDerWaalsContact O-CZ2 3.3Å; G16-W103 WeakPolarHBondContact O-CZ2 3.28Å | ||
| 17 | D | 96.2 | Very high | 94.9 | Very high | 17 Ų | 17 | 17.7 Ų | 17.7 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | trans | -55.5 | 159.2 | -175.7 | -77.9 | 16.6 | 0 | 0 | 0 | 113.7 | T20 K22 G67 T96 N99 W103 | D17-T20 HydrophobicContact CB-CG2 3.85Å; D17-T20 WeakPolarHBondContact O-CG2 3.45Å; D17-T20 PolarHBondContact O-OG1 2.85Å; D17-K22 PolarHBondContact O-NZ 3.26Å; D17-G67 CarbonylContact C-O 3.54Å; D17-T96 HydrophobicContact CB-CG2 3.85Å; D17-T96 WeakPolarHBondContact OD2-CA 3.2Å; D17-N99 WeakPolarHBondContact OD1-CB 3.38Å; D17-N99 PolarHBondContact OD1-ND2 3.26Å; D17-N99 PolarHBondContact OD2-ND2 2.83Å; D17-W103 PolarHBondContact OD1-NE1 3.28Å | ||
| 18 | G | 94.2 | Very high | 94.7 | Very high | 23 Ų | 23 | 16.7 Ų | 16.7 | 24% | 0.237 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 140.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T20 G67 | G18-T20 VanDerWaalsContact C-N 3.3Å; G18-T20 PolarHBondContact O-N 2.84Å; G18-G67 PolarHBondContact N-O 2.79Å |
| 19 | G | 93.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 14.4 Ų | 14.4 | 33% | 0.33 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | G21 Y38 F122 | G19-G21 PolarHBondContact O-N 3.49Å; G19-G21 VanDerWaalsContact O-N 3.1Å; G19-Y38 PolarHBondContact N-OH 2.83Å; G19-F122 WeakPolarHBondContact O-CE2 3.22Å |
| 20 | T | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -69.6 | -6.9 | -179.8 | 59.5 | 0 | 0 | 0 | 0 | 114.8 | D17 G18 M88 D90 T96 N121 | D17-T20 HydrophobicContact CB-CG2 3.85Å; D17-T20 WeakPolarHBondContact O-CG2 3.45Å; D17-T20 PolarHBondContact O-OG1 2.85Å; G18-T20 VanDerWaalsContact C-N 3.3Å; G18-T20 PolarHBondContact O-N 2.84Å; T20-M88 PolarHBondContact OG1-O 2.9Å; T20-D90 HydrophobicContact CG2-CB 4.25Å; T20-T96 HydrophobicContact CG2-CG2 3.89Å; T20-N121 WeakPolarHBondContact O-CB 3.32Å; T20-N121 PolarHBondContact O-ND2 2.94Å |
| 21 | G | 94.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 18.5 Ų | 18.5 | 10% | 0.103 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 93.9 | 15 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | G19 T23 T24 F25 M88 | G19-G21 PolarHBondContact O-N 3.49Å; G19-G21 VanDerWaalsContact O-N 3.1Å; G21-T23 PolarHBondContact O-N 2.79Å; G21-T24 WeakPolarHBondContact O-CB 3.44Å; G21-T24 PolarHBondContact O-N 3.31Å; G21-F25 WeakPolarHBondContact O-CB 3.37Å; G21-F25 PolarHBondContact O-N 3.04Å; G21-M88 VanDerWaalsContact C-SD 3.6Å |
| 22 | K | 95.4 | Very high | 89.4 | Confident | 8 Ų | 8 | 18.2 Ų | 18.2 | 4% | 0.035 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -50.2 | -56.3 | 177.3 | -65 | -175.8 | -54.5 | -70.4 | 0 | 113.1 | L14 V15 G16 D17 T24 F25 V26 D64 T65 M88 | L14-K22 HydrophobicContact CD1-CB 4.43Å; L14-K22 HydrophobicContact CD1-CD 4.41Å; L14-K22 HydrophobicContact CD1-CG 4.09Å; L14-K22 HydrophobicContact CD2-CB 3.66Å; L14-K22 HydrophobicContact CD2-CG 4.22Å; L14-K22 HydrophobicContact CG-CB 3.86Å; L14-K22 HydrophobicContact CG-CD 4Å; L14-K22 HydrophobicContact CG-CG 3.88Å; V15-K22 VanDerWaalsContact C-CD 3.46Å; G16-K22 WeakPolarHBondContact O-CE 3.4Å; G16-K22 PolarHBondContact O-NZ 2.92Å; D17-K22 PolarHBondContact O-NZ 3.26Å; K22-T24 VanDerWaalsContact C-N 3.33Å; K22-T24 PolarHBondContact O-N 3.48Å; K22-F25 WeakPolarHBondContact O-CB 3.13Å; K22-F25 PolarHBondContact O-N 2.98Å; K22-F25 VanDerWaalsContact O-N 3.13Å; K22-V26 WeakPolarHBondContact O-CG2 3.43Å; K22-V26 PolarHBondContact O-N 3.02Å; K22-D64 WeakPolarHBondContact CB-OD1 3.31Å; K22-T65 WeakPolarHBondContact CE-O 3.49Å; K22-M88 HydrophobicContact CG-CB 4.04Å; K22-M88 HydrophobicContact CG-SD 4.08Å; K22-M88 PolarHBondContact N-SD 3.5Å |
| 23 | T | 93 | Very high | 87.4 | Confident | 13 Ų | 13 | 23.7 Ų | 23.7 | 8% | 0.08 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 179.5 | -47.9 | 0 | 0 | 0 | 0 | 112.1 | G21 F25 V26 K27 T41 D64 | G21-T23 PolarHBondContact O-N 2.79Å; T23-F25 VanDerWaalsContact C-N 3.34Å; T23-F25 PolarHBondContact O-N 2.68Å; T23-V26 PolarHBondContact O-N 3.12Å; T23-K27 HydrophobicContact CG2-CD 3.85Å; T23-K27 VanDerWaalsContact CG2-CE 3.47Å; T23-K27 HydrophobicContact CG2-CG 4.28Å; T23-K27 WeakPolarHBondContact O-CB 3.38Å; T23-K27 WeakPolarHBondContact O-CG 3.39Å; T23-K27 PolarHBondContact O-N 3.41Å; T23-T41 PolarHBondContact OG1-OG1 3.38Å; T23-D64 WeakPolarHBondContact CA-OD2 3.2Å; T23-D64 VanDerWaalsContact CB-OD2 3.3Å; T23-D64 WeakPolarHBondContact CB-OD2 3.4Å; T23-D64 PolarHBondContact OG1-OD2 2.81Å |
| 24 | T | 92.1 | Very high | 85.4 | Confident | 29 Ų | 29 | 25.6 Ų | 25.6 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 174.9 | -50 | 0 | 0 | 0 | 0 | 111.8 | G21 K22 V26 R28 A150 | G21-T24 WeakPolarHBondContact O-CB 3.44Å; G21-T24 PolarHBondContact O-N 3.31Å; K22-T24 VanDerWaalsContact C-N 3.33Å; K22-T24 PolarHBondContact O-N 3.48Å; T24-V26 VanDerWaalsContact C-N 3.34Å; T24-V26 PolarHBondContact O-N 2.95Å; T24-R28 WeakPolarHBondContact O-CB 3.45Å; T24-R28 WeakPolarHBondContact O-CG 3.42Å; T24-R28 PolarHBondContact O-N 3.07Å; T24-R28 VanDerWaalsContact O-N 3.1Å; T24-A150 HydrophobicContact CG2-CB 4.1Å |
| 25 | F | 92.7 | Very high | 83.7 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 176.6 | 176.2 | -96.4 | 0 | 0 | 0 | 112.2 | L14 G21 K22 T23 H29 I86 M88 I148 A150 F156 | L14-F25 HydrophobicContact CD2-CD1 4.46Å; G21-F25 WeakPolarHBondContact O-CB 3.37Å; G21-F25 PolarHBondContact O-N 3.04Å; K22-F25 WeakPolarHBondContact O-CB 3.13Å; K22-F25 PolarHBondContact O-N 2.98Å; K22-F25 VanDerWaalsContact O-N 3.13Å; T23-F25 VanDerWaalsContact C-N 3.34Å; T23-F25 PolarHBondContact O-N 2.68Å; F25-H29 AromaticContact CZ-CE1 3.75Å; F25-H29 PolarHBondContact O-ND1 3.27Å; F25-I86 HydrophobicContact CE1-CD1 4.02Å; F25-I86 HydrophobicContact CZ-CD1 4.37Å; F25-M88 HydrophobicContact CB-CE 3.81Å; F25-M88 HydrophobicContact CD1-CE 4.15Å; F25-M88 HydrophobicContact CD2-CE 4.27Å; F25-M88 HydrophobicContact CG-CE 3.82Å; F25-I148 HydrophobicContact CD2-CD1 3.89Å; F25-I148 HydrophobicContact CE2-CD1 4.06Å; F25-A150 HydrophobicContact CB-CB 4.44Å; F25-F156 AromaticContact CD2-CD2 3.68Å; F25-F156 HydrophobicContact CD2-CD2 3.68Å; F25-F156 AromaticContact CD2-CE2 3.41Å; F25-F156 HydrophobicContact CD2-CE2 3.41Å; F25-F156 VanDerWaalsContact CD2-CE2 3.41Å; F25-F156 HydrophobicContact CD2-CZ 4.22Å; F25-F156 AromaticContact CE2-CD2 3.69Å; F25-F156 HydrophobicContact CE2-CD2 3.69Å; F25-F156 AromaticContact CE2-CE2 3.76Å; F25-F156 HydrophobicContact CE2-CE2 3.76Å; F25-F156 HydrophobicContact CE2-CG 4.25Å; F25-F156 HydrophobicContact CE2-CZ 4.38Å; F25-F156 HydrophobicContact CG-CE2 4.16Å; F25-F156 WeakPolarHBondContact O-CZ 3.32Å |
| 26 | V | 91.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.4 | -48.9 | 177.3 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | L14 K22 T23 T24 R28 H29 L30 H47 V62 D64 | L14-V26 HydrophobicContact CD2-CG2 3.35Å; K22-V26 WeakPolarHBondContact O-CG2 3.43Å; K22-V26 PolarHBondContact O-N 3.02Å; T23-V26 PolarHBondContact O-N 3.12Å; T24-V26 VanDerWaalsContact C-N 3.34Å; T24-V26 PolarHBondContact O-N 2.95Å; V26-R28 VanDerWaalsContact C-N 3.27Å; V26-R28 PolarHBondContact O-N 3.49Å; V26-H29 WeakPolarHBondContact O-CB 3.45Å; V26-H29 PolarHBondContact O-N 3.38Å; V26-L30 HydrophobicContact CG1-CD1 4.41Å; V26-L30 PolarHBondContact O-N 2.81Å; V26-H47 HydrophobicContact CG1-CB 3.4Å; V26-H47 VanDerWaalsContact CG1-CB 3.4Å; V26-H47 VanDerWaalsContact CG1-CG 3.43Å; V26-V62 HydrophobicContact CG1-CG1 4.5Å; V26-V62 HydrophobicContact CG2-CG1 3.65Å; V26-D64 HydrophobicContact CG2-CB 4.43Å |
| 27 | K | 87.3 | Confident | 81.4 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 18% | 0.183 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -33.1 | -176.1 | -72.6 | -175.7 | -179.9 | 179.6 | 0 | 112.8 | T23 H29 L30 T31 E35 | T23-K27 HydrophobicContact CG2-CD 3.85Å; T23-K27 VanDerWaalsContact CG2-CE 3.47Å; T23-K27 HydrophobicContact CG2-CG 4.28Å; T23-K27 WeakPolarHBondContact O-CB 3.38Å; T23-K27 WeakPolarHBondContact O-CG 3.39Å; T23-K27 PolarHBondContact O-N 3.41Å; K27-H29 PolarHBondContact O-N 3.48Å; K27-L30 PolarHBondContact O-N 2.75Å; K27-T31 PolarHBondContact O-N 3.35Å; K27-T31 VanDerWaalsContact O-N 3.12Å; K27-T31 PolarHBondContact O-OG1 3.08Å; K27-E35 HydrophobicContact CD-CG 3.79Å; K27-E35 IonicContact NZ-OE1 2.57Å; K27-E35 PolarHBondContact NZ-OE1 3.44Å; K27-E35 IonicContact NZ-OE2 3.9Å |
| 28 | R | 86 | Confident | 80.6 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -25.9 | 172.7 | -82.5 | -172.6 | 155.6 | -123.5 | -14.4 | 114.3 | T24 V26 A150 K151 N153 F156 A182 P183 E185 | T24-R28 WeakPolarHBondContact O-CB 3.45Å; T24-R28 WeakPolarHBondContact O-CG 3.42Å; T24-R28 PolarHBondContact O-N 3.07Å; T24-R28 VanDerWaalsContact O-N 3.1Å; V26-R28 VanDerWaalsContact C-N 3.27Å; V26-R28 PolarHBondContact O-N 3.49Å; R28-A150 WeakPolarHBondContact CD-O 3.4Å; R28-A150 PolarHBondContact NE-O 3.13Å; R28-A150 VanDerWaalsContact NE-O 3.09Å; R28-A150 PolarHBondContact NH1-O 3.18Å; R28-K151 VanDerWaalsContact CZ-O 3.27Å; R28-K151 PolarHBondContact NH1-O 2.91Å; R28-K151 PolarHBondContact NH2-O 2.84Å; R28-K151 VanDerWaalsContact NH2-O 3.14Å; R28-N153 VanDerWaalsContact NH1-CG 3.34Å; R28-N153 PolarHBondContact NH1-OD1 3.28Å; R28-F156 HydrophobicContact CB-CE1 4.49Å; R28-F156 HydrophobicContact CB-CE2 3.99Å; R28-F156 HydrophobicContact CB-CZ 3.55Å; R28-A182 HydrophobicContact CG-CB 4.09Å; R28-P183 PolarHBondContact NH2-O 3.18Å; R28-E185 IonicContact CZ-OE1 3.72Å; R28-E185 IonicContact NE-OE1 3.41Å; R28-E185 PolarHBondContact NE-OE1 3.41Å; R28-E185 IonicContact NH2-OE1 2.82Å; R28-E185 PolarHBondContact NH2-OE1 2.87Å |
| 29 | H | 80 | Confident | 80 | Confident | 19 Ų | 19 | 55 Ų | 55 | 9% | 0.088 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -79.8 | -24.7 | 171.8 | -76.2 | 94.5 | 0 | 0 | 0 | 113.5 | F25 V26 K27 L49 F51 F156 | F25-H29 AromaticContact CZ-CE1 3.75Å; F25-H29 PolarHBondContact O-ND1 3.27Å; V26-H29 WeakPolarHBondContact O-CB 3.45Å; V26-H29 PolarHBondContact O-N 3.38Å; K27-H29 PolarHBondContact O-N 3.48Å; H29-L49 HydrophobicContact CB-CD1 3.73Å; H29-L49 HydrophobicContact CB-CD2 3.66Å; H29-L49 HydrophobicContact CB-CG 4.28Å; H29-F51 AromaticContact CD2-CE1 3.81Å; H29-F51 AromaticContact CD2-CZ 3.66Å; H29-F51 AromaticContact NE2-CE1 3.68Å; H29-F51 AromaticContact NE2-CZ 3.61Å; H29-F156 AromaticContact CD2-CE1 3.58Å; H29-F156 AromaticContact CE1-CD1 3.52Å; H29-F156 AromaticContact CE1-CE1 2.88Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.35Å; H29-F156 AromaticContact CE1-CZ 3.22Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.48Å; H29-F156 AromaticContact CG-CE1 3.47Å; H29-F156 VanDerWaalsContact CG-CE1 3.47Å; H29-F156 AromaticContact CG-CZ 3.8Å; H29-F156 AromaticContact ND1-CE1 3.06Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.34Å; H29-F156 AromaticContact ND1-CZ 3.06Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.18Å; H29-F156 AromaticContact NE2-CD1 3.65Å; H29-F156 AromaticContact NE2-CE1 3.23Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.36Å |
| 30 | L | 75.8 | Confident | 79.6 | Confident | 65 Ų | 65 | 55 Ų | 55 | 34% | 0.34 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -93.2 | -61.1 | -170.3 | -78.4 | 178.9 | 0 | 0 | 0 | 113.8 | V26 K27 H47 P48 L49 | V26-L30 HydrophobicContact CG1-CD1 4.41Å; V26-L30 PolarHBondContact O-N 2.81Å; K27-L30 PolarHBondContact O-N 2.75Å; L30-H47 HydrophobicContact CD1-CB 3.8Å; L30-H47 WeakPolarHBondContact CD1-ND1 3.28Å; L30-P48 WeakPolarHBondContact CD2-O 3.43Å; L30-L49 HydrophobicContact CD2-CD2 3.43Å; L30-L49 VanDerWaalsContact CD2-CD2 3.43Å; L30-L49 HydrophobicContact CG-CD2 3.58Å |
| 31 | T | 63 | Low | 78.9 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 58% | 0.577 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | -14.3 | -164 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | K27 D33 | K27-T31 PolarHBondContact O-N 3.35Å; K27-T31 VanDerWaalsContact O-N 3.12Å; K27-T31 PolarHBondContact O-OG1 3.08Å; T31-D33 PolarHBondContact O-N 3.14Å; T31-D33 VanDerWaalsContact O-N 3.08Å; T31-D33 PolarHBondContact OG1-N 3.43Å |
| 32 | G | 57.7 | Low | 78.4 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 19% | 0.186 | 31% | 0.314 | C | S | . | . | S | Bend | trans | 64.7 | 1 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A182 | G32-A182 WeakPolarHBondContact O-CA 3.46Å; G32-A182 WeakPolarHBondContact O-CB 3.32Å |
| 33 | D | 55.5 | Low | 78 | Confident | 119 Ų | 119 | 61.4 Ų | 61.4 | 64% | 0.636 | 32% | 0.317 | S | S | * | . | trans | -99.5 | 117.6 | -178.1 | -98.6 | -26.8 | 0 | 0 | 0 | 110.6 | T31 | T31-D33 PolarHBondContact O-N 3.14Å; T31-D33 VanDerWaalsContact O-N 3.08Å; T31-D33 PolarHBondContact OG1-N 3.43Å | ||
| 34 | P | 55.9 | Low | 77.9 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 26% | 0.26 | 33% | 0.325 | S | S | . | . | trans | -76.6 | 136.3 | -179.2 | 30.7 | -34.5 | 0 | 0 | 0 | 112 | K36 E185 | P34-K36 PolarHBondContact O-N 3.22Å; P34-E185 HydrophobicContact CB-CG 4.35Å; P34-E185 WeakPolarHBondContact CB-OE1 3.07Å; P34-E185 HydrophobicContact CG-CG 4.42Å | ||
| 35 | E | 61.8 | Low | 77.9 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | trans | -70.8 | 108.5 | 166.3 | -78.9 | -169.2 | 148.5 | 0 | 0 | 110.3 | K27 K37 | K27-E35 HydrophobicContact CD-CG 3.79Å; K27-E35 IonicContact NZ-OE1 2.57Å; K27-E35 PolarHBondContact NZ-OE1 3.44Å; K27-E35 IonicContact NZ-OE2 3.9Å; E35-K37 VanDerWaalsContact C-N 3.25Å; E35-K37 PolarHBondContact O-N 3.1Å | ||
| 36 | K | 67.9 | Low | 77.9 | Confident | 196 Ų | 196 | 67.7 Ų | 67.7 | 85% | 0.852 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -72 | -15.9 | 179.2 | -64.3 | -176.5 | -179.8 | 177.9 | 0 | 114.1 | P34 | P34-K36 PolarHBondContact O-N 3.22Š|
| 37 | K | 77.8 | Confident | 78 | Confident | 173 Ų | 173 | 68.8 Ų | 68.8 | 75% | 0.752 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -132.4 | 138.3 | -177.9 | -67.4 | -175.3 | 179.8 | -179.5 | 0 | 109.5 | E35 V39 | E35-K37 VanDerWaalsContact C-N 3.25Å; E35-K37 PolarHBondContact O-N 3.1Å; K37-V39 PolarHBondContact O-N 2.95Å |
| 38 | Y | 79.8 | Confident | 78.3 | Confident | 140 Ų | 140 | 70.1 Ų | 70.1 | 55% | 0.549 | 37% | 0.369 | S | S | . | . | trans | -66.1 | 119.7 | 172.5 | 176.7 | -110.8 | 0 | 0 | 0 | 110 | G19 A40 Q68 | G19-Y38 PolarHBondContact N-OH 2.83Å; Y38-A40 HydrophobicContact CE1-CB 4.09Å; Y38-Q68 PolarHBondContact OH-NE2 2.59Å; Y38-Q68 VanDerWaalsContact OH-NE2 3.09Å | ||
| 39 | V | 82.5 | Confident | 78.5 | Confident | 94 Ų | 94 | 70.4 Ų | 70.4 | 57% | 0.57 | 37% | 0.371 | S | S | * | . | trans | -118.6 | 123.9 | 167.2 | -177.9 | 0 | 0 | 0 | 0 | 106.6 | K37 T41 | K37-V39 PolarHBondContact O-N 2.95Å; V39-T41 PolarHBondContact O-N 3.42Å | ||
| 40 | A | 84.8 | Confident | 79.1 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | trans | -71 | 125.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y38 L42 Q68 | Y38-A40 HydrophobicContact CE1-CB 4.09Å; A40-L42 PolarHBondContact O-N 3.22Å; A40-Q68 HydrophobicContact CB-CG 4.38Å | ||
| 41 | T | 81.2 | Confident | 79.9 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 8% | 0.08 | 37% | 0.368 | C | S | . | . | trans | -55.9 | 134.6 | 170.6 | -39.6 | 0 | 0 | 0 | 0 | 110.2 | T23 V39 E45 A66 | T23-T41 PolarHBondContact OG1-OG1 3.38Å; V39-T41 PolarHBondContact O-N 3.42Å; T41-E45 HydrophobicContact CG2-CG 4.05Å; T41-A66 WeakPolarHBondContact O-CB 3.31Å | ||
| 42 | L | 85 | Confident | 81.3 | Confident | 130 Ų | 130 | 69.2 Ų | 69.2 | 68% | 0.681 | 36% | 0.358 | S | S | * | . | trans | -101 | 109.6 | 176 | -59.9 | 179.1 | 0 | 0 | 0 | 108.8 | A40 V44 F71 | A40-L42 PolarHBondContact O-N 3.22Å; L42-V44 PolarHBondContact O-N 3.42Å; L42-V44 VanDerWaalsContact O-N 3.09Å; L42-F71 HydrophobicContact CD2-CE1 4.33Å; L42-F71 HydrophobicContact CD2-CE2 3.91Å; L42-F71 HydrophobicContact CD2-CZ 3.45Å; L42-F71 VanDerWaalsContact CD2-CZ 3.45Å | ||
| 43 | G | 86.8 | Confident | 83 | Confident | 9 Ų | 9 | 68.7 Ų | 68.7 | 9% | 0.093 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 70.8 | -100.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A66 Y78 | G43-A66 WeakPolarHBondContact O-CB 3.45Å; G43-A66 PolarHBondContact O-N 2.89Å; G43-Y78 VanDerWaalsContact CA-OH 3.25Å; G43-Y78 WeakPolarHBondContact CA-OH 3.37Å |
| 44 | V | 90.7 | Very high | 84.9 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 141.6 | 179.8 | 68 | 0 | 0 | 0 | 0 | 111.4 | L42 V46 W63 D64 T65 Y78 | L42-V44 PolarHBondContact O-N 3.42Å; L42-V44 VanDerWaalsContact O-N 3.09Å; V44-V46 HydrophobicContact CG2-CG2 4.46Å; V44-W63 HydrophobicContact CG1-CE3 4.4Å; V44-W63 HydrophobicContact CG2-CB 3.88Å; V44-W63 HydrophobicContact CG2-CD2 4.29Å; V44-W63 HydrophobicContact CG2-CE3 3.87Å; V44-W63 HydrophobicContact CG2-CG 4.36Å; V44-D64 VanDerWaalsContact CA-O 3.31Å; V44-D64 WeakPolarHBondContact CA-O 3.44Å; V44-D64 WeakPolarHBondContact CG2-O 3.25Å; V44-T65 HydrophobicContact CG2-CG2 4.33Å; V44-Y78 HydrophobicContact CB-CD1 3.84Å; V44-Y78 HydrophobicContact CB-CD2 4.36Å; V44-Y78 HydrophobicContact CB-CE1 3.81Å; V44-Y78 HydrophobicContact CB-CE2 4.34Å; V44-Y78 HydrophobicContact CB-CG 4.13Å; V44-Y78 HydrophobicContact CG1-CD1 3.53Å; V44-Y78 HydrophobicContact CG1-CE1 3.31Å; V44-Y78 HydrophobicContact CG1-CG 4.32Å; V44-Y78 HydrophobicContact CG2-CD1 4.49Å |
| 45 | E | 92.2 | Very high | 86.8 | Confident | 71 Ų | 71 | 70.5 Ų | 70.5 | 33% | 0.332 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.9 | 163.4 | -66.8 | -177.9 | -173.4 | 0 | 0 | 109.5 | T41 H47 D64 | T41-E45 HydrophobicContact CG2-CG 4.05Å; E45-H47 WeakPolarHBondContact CB-NE2 3.42Å; E45-H47 IonicContact OE2-CE1 3.93Å; E45-H47 PolarHBondContact OE2-CE1 2.91Å; E45-H47 IonicContact OE2-NE2 3.63Å; E45-H47 PolarHBondContact OE2-NE2 3.26Å; E45-H47 VanDerWaalsContact OE2-NE2 3.11Å; E45-D64 PolarHBondContact N-O 2.87Å; E45-D64 PolarHBondContact O-N 2.89Å |
| 46 | V | 93.7 | Very high | 88.3 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 42% | 0.424 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.1 | -178.6 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | V44 N61 V62 W63 | V44-V46 HydrophobicContact CG2-CG2 4.46Å; V46-N61 HydrophobicContact CG1-CB 4.29Å; V46-V62 WeakPolarHBondContact CA-O 3.33Å; V46-W63 HydrophobicContact CG2-CD2 3.9Å; V46-W63 HydrophobicContact CG2-CE3 4.46Å; V46-W63 HydrophobicContact CG2-CG 4.07Å; V46-W63 HydrophobicContact CG2-CZ2 4.31Å |
| 47 | H | 93.1 | Very high | 89.6 | Confident | 23 Ų | 23 | 64.3 Ų | 64.3 | 11% | 0.106 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 112.4 | -171 | -66.2 | -74.5 | 0 | 0 | 0 | 110.4 | V26 L30 E45 L49 V62 | V26-H47 HydrophobicContact CG1-CB 3.4Å; V26-H47 VanDerWaalsContact CG1-CB 3.4Å; V26-H47 VanDerWaalsContact CG1-CG 3.43Å; L30-H47 HydrophobicContact CD1-CB 3.8Å; L30-H47 WeakPolarHBondContact CD1-ND1 3.28Å; E45-H47 WeakPolarHBondContact CB-NE2 3.42Å; E45-H47 IonicContact OE2-CE1 3.93Å; E45-H47 PolarHBondContact OE2-CE1 2.91Å; E45-H47 IonicContact OE2-NE2 3.63Å; E45-H47 PolarHBondContact OE2-NE2 3.26Å; E45-H47 VanDerWaalsContact OE2-NE2 3.11Å; H47-L49 PolarHBondContact O-N 2.94Å; H47-V62 HydrophobicContact CB-CB 4.44Å; H47-V62 PolarHBondContact N-O 3.49Å; H47-V62 PolarHBondContact O-N 3.03Å |
| 48 | P | 92.7 | Very high | 90.4 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 113.9 | 176 | 29.8 | -32.1 | 0 | 0 | 0 | 110.5 | L30 R59 F60 | L30-P48 WeakPolarHBondContact CD2-O 3.43Å; P48-R59 HydrophobicContact CB-CG 4.41Å; P48-F60 CarbonylContact C-O 3.58Å; P48-F60 WeakPolarHBondContact CA-O 3.33Å |
| 49 | L | 91.7 | Very high | 91.1 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121 | 175.3 | -55.7 | -169.8 | 0 | 0 | 0 | 109.9 | H29 L30 H47 F51 R59 F60 V62 | H29-L49 HydrophobicContact CB-CD1 3.73Å; H29-L49 HydrophobicContact CB-CD2 3.66Å; H29-L49 HydrophobicContact CB-CG 4.28Å; L30-L49 HydrophobicContact CD2-CD2 3.43Å; L30-L49 VanDerWaalsContact CD2-CD2 3.43Å; L30-L49 HydrophobicContact CG-CD2 3.58Å; H47-L49 PolarHBondContact O-N 2.94Å; L49-F51 HydrophobicContact CB-CE2 3.69Å; L49-F51 HydrophobicContact CB-CZ 4.27Å; L49-F51 HydrophobicContact CD1-CE2 4.47Å; L49-F51 HydrophobicContact CD1-CZ 4.38Å; L49-R59 CarbonylContact O-C 3.6Å; L49-R59 VanDerWaalsContact O-CA 3.3Å; L49-R59 WeakPolarHBondContact O-CA 3.37Å; L49-F60 PolarHBondContact N-O 3.06Å; L49-F60 PolarHBondContact O-N 3.27Å; L49-V62 HydrophobicContact CD1-CG2 3.6Å; L49-V62 HydrophobicContact CG-CG2 3.81Å |
| 50 | I | 91.3 | Very high | 91.8 | Very high | 68 Ų | 68 | 47.8 Ų | 47.8 | 35% | 0.349 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.9 | 178.1 | -61.4 | 175.6 | 0 | 0 | 0 | 109.5 | I7 Q57 I58 R59 | I7-I50 HydrophobicContact CD1-CD1 4.4Å; I50-Q57 HydrophobicContact CG2-CB 4.24Å; I50-Q57 HydrophobicContact CG2-CG 4.18Å; I50-I58 WeakPolarHBondContact CA-O 3.41Å; I50-R59 HydrophobicContact CG1-CB 4.42Å; I50-R59 HydrophobicContact CG1-CG 4.19Å |
| 51 | F | 92.1 | Very high | 92.3 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.5 | 174 | -60.8 | -97.6 | 0 | 0 | 0 | 109.7 | H29 L49 Q57 I58 F60 F175 P179 | H29-F51 AromaticContact CD2-CE1 3.81Å; H29-F51 AromaticContact CD2-CZ 3.66Å; H29-F51 AromaticContact NE2-CE1 3.68Å; H29-F51 AromaticContact NE2-CZ 3.61Å; L49-F51 HydrophobicContact CB-CE2 3.69Å; L49-F51 HydrophobicContact CB-CZ 4.27Å; L49-F51 HydrophobicContact CD1-CE2 4.47Å; L49-F51 HydrophobicContact CD1-CZ 4.38Å; F51-Q57 WeakPolarHBondContact O-CA 3.15Å; F51-I58 HydrophobicContact CB-CD1 4Å; F51-I58 HydrophobicContact CB-CG1 3.73Å; F51-I58 PolarHBondContact N-O 3.02Å; F51-I58 PolarHBondContact O-N 3.39Å; F51-F60 HydrophobicContact CD2-CD2 4.01Å; F51-F60 AromaticContact CE2-CD2 3.66Å; F51-F60 HydrophobicContact CE2-CD2 3.66Å; F51-F60 HydrophobicContact CE2-CE2 4.41Å; F51-F175 HydrophobicContact CB-CD1 4.11Å; F51-F175 HydrophobicContact CB-CE1 3.67Å; F51-F175 HydrophobicContact CB-CZ 4.09Å; F51-F175 HydrophobicContact CD1-CD1 4.5Å; F51-F175 HydrophobicContact CD1-CD2 4.25Å; F51-F175 AromaticContact CD1-CE1 3.96Å; F51-F175 HydrophobicContact CD1-CE1 3.96Å; F51-F175 AromaticContact CD1-CE2 3.66Å; F51-F175 HydrophobicContact CD1-CE2 3.66Å; F51-F175 AromaticContact CD1-CZ 3.49Å; F51-F175 HydrophobicContact CD1-CZ 3.49Å; F51-F175 VanDerWaalsContact CD1-CZ 3.49Å; F51-F175 HydrophobicContact CE1-CE2 4.09Å; F51-F175 HydrophobicContact CE1-CZ 4.13Å; F51-F175 HydrophobicContact CG-CE1 4.01Å; F51-F175 HydrophobicContact CG-CE2 4.49Å; F51-F175 AromaticContact CG-CZ 3.88Å; F51-F175 HydrophobicContact CG-CZ 3.88Å; F51-P179 HydrophobicContact CD1-CG 4.08Å; F51-P179 HydrophobicContact CE1-CG 3.96Å |
| 52 | H | 92.7 | Very high | 93.1 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 38% | 0.375 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117.1 | 176.7 | -65.8 | 79.3 | 0 | 0 | 0 | 108.7 | Q57 F175 V176 A177 | H52-Q57 PolarHBondContact NE2-NE2 3.44Å; H52-F175 CarbonylContact O-C 3.59Å; H52-F175 VanDerWaalsContact O-CA 3.3Å; H52-F175 WeakPolarHBondContact O-CA 3.49Å; H52-V176 HydrophobicContact CB-CG2 3.94Å; H52-V176 WeakPolarHBondContact O-CG2 3.39Å; H52-V176 PolarHBondContact O-N 3.44Å; H52-A177 HydrophobicContact CB-CB 4.26Å |
| 53 | T | 94.7 | Very high | 93.6 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 166.5 | -178.1 | 81.4 | 0 | 0 | 0 | 0 | 111.5 | R55 G56 I58 L173 E174 F175 | T53-R55 PolarHBondContact O-N 3.48Å; T53-R55 VanDerWaalsContact O-N 3.07Å; T53-R55 WeakPolarHBondContact OG1-CA 3.48Å; T53-R55 PolarHBondContact OG1-N 3.33Å; T53-G56 WeakPolarHBondContact CA-O 3.3Å; T53-G56 WeakPolarHBondContact CB-O 3.38Å; T53-G56 PolarHBondContact N-O 3.44Å; T53-G56 PolarHBondContact O-N 2.98Å; T53-G56 VanDerWaalsContact O-N 3.12Å; T53-G56 PolarHBondContact OG1-N 2.89Å; T53-G56 PolarHBondContact OG1-O 3.44Å; T53-I58 HydrophobicContact CG2-CD1 3.74Å; T53-I58 HydrophobicContact CG2-CG1 3.96Å; T53-I58 HydrophobicContact CG2-CG2 4.26Å; T53-L173 HydrophobicContact CG2-CD1 4.24Å; T53-L173 HydrophobicContact CG2-CD2 3.88Å; T53-L173 HydrophobicContact CG2-CG 4.27Å; T53-E174 CarbonylContact C-O 3.5Å; T53-E174 WeakPolarHBondContact CA-O 3.32Å; T53-E174 WeakPolarHBondContact CB-O 3.37Å; T53-F175 HydrophobicContact CG2-CD1 3.99Å; T53-F175 HydrophobicContact CG2-CE1 4.13Å |
| 54 | N | 95.7 | Very high | 94 | Very high | 56 Ų | 56 | 44.8 Ų | 44.8 | 30% | 0.299 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 5 | 167.6 | 65.4 | -15 | 0 | 0 | 0 | 113.9 | N172 L173 E174 V176 | N54-N172 PolarHBondContact ND2-O 3.28Å; N54-L173 WeakPolarHBondContact OD1-CA 2.97Å; N54-E174 PolarHBondContact N-O 3.28Å; N54-E174 PolarHBondContact OD1-N 3.12Å; N54-E174 PolarHBondContact OD1-O 2.86Å; N54-V176 HydrophobicContact CB-CG1 3.81Å |
| 55 | R | 94.7 | Very high | 94.1 | Very high | 140 Ų | 140 | 43 Ų | 43 | 53% | 0.528 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 9.5 | 173 | -57.7 | -62.8 | 179.9 | -96.9 | -10.2 | 113.1 | T53 D170 L173 | T53-R55 PolarHBondContact O-N 3.48Å; T53-R55 VanDerWaalsContact O-N 3.07Å; T53-R55 WeakPolarHBondContact OG1-CA 3.48Å; T53-R55 PolarHBondContact OG1-N 3.33Å; R55-D170 IonicContact CZ-OD2 3.41Å; R55-D170 VanDerWaalsContact CZ-OD2 3.25Å; R55-D170 IonicContact NE-OD2 2.87Å; R55-D170 PolarHBondContact NE-OD2 3.09Å; R55-D170 IonicContact NH2-OD1 2.69Å; R55-D170 IonicContact NH2-OD2 3.69Å; R55-D170 PolarHBondContact NH2-OD2 3.01Å; R55-L173 HydrophobicContact CB-CD1 4.45Å; R55-L173 HydrophobicContact CG-CD1 4.22Å |
| 56 | G | 93.9 | Very high | 93.9 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 40% | 0.402 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.9 | -171.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | T53 | T53-G56 WeakPolarHBondContact CA-O 3.3Å; T53-G56 WeakPolarHBondContact CB-O 3.38Å; T53-G56 PolarHBondContact N-O 3.44Å; T53-G56 PolarHBondContact O-N 2.98Å; T53-G56 VanDerWaalsContact O-N 3.12Å; T53-G56 PolarHBondContact OG1-N 2.89Å; T53-G56 PolarHBondContact OG1-O 3.44Å |
| 57 | Q | 94 | Very high | 93.5 | Very high | 83 Ų | 83 | 36.9 Ų | 36.9 | 39% | 0.388 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 147.9 | 178.3 | -72.7 | 176.7 | -19.6 | 0 | 0 | 110.9 | I7 I50 F51 H52 | I7-Q57 HydrophobicContact CD1-CB 4.28Å; I7-Q57 HydrophobicContact CG1-CB 4.39Å; I7-Q57 HydrophobicContact CG2-CB 4.05Å; I50-Q57 HydrophobicContact CG2-CB 4.24Å; I50-Q57 HydrophobicContact CG2-CG 4.18Å; F51-Q57 WeakPolarHBondContact O-CA 3.15Å; H52-Q57 PolarHBondContact NE2-NE2 3.44Å |
| 58 | I | 94.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 154.6 | 169.4 | 61.5 | 176.9 | 0 | 0 | 0 | 108.5 | I50 F51 T53 V164 L168 F175 | I50-I58 WeakPolarHBondContact CA-O 3.41Å; F51-I58 HydrophobicContact CB-CD1 4Å; F51-I58 HydrophobicContact CB-CG1 3.73Å; F51-I58 PolarHBondContact N-O 3.02Å; F51-I58 PolarHBondContact O-N 3.39Å; T53-I58 HydrophobicContact CG2-CD1 3.74Å; T53-I58 HydrophobicContact CG2-CG1 3.96Å; T53-I58 HydrophobicContact CG2-CG2 4.26Å; I58-V164 HydrophobicContact CD1-CB 3.86Å; I58-V164 HydrophobicContact CD1-CG1 3.32Å; I58-V164 HydrophobicContact CD1-CG2 3.15Å; I58-L168 HydrophobicContact CG2-CD1 4.26Å; I58-F175 HydrophobicContact CD1-CE1 4.29Å |
| 59 | R | 94.8 | Very high | 92 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 21% | 0.211 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.1 | 177.9 | -172.7 | -174.1 | -63.7 | 135.3 | -9.8 | 110.4 | I7 P8 T9 F10 P48 L49 I50 | I7-R59 HydrophobicContact CG2-CB 3.96Å; P8-R59 PolarHBondContact O-N 2.88Å; T9-R59 CarbonylContact C-O 3.59Å; T9-R59 VanDerWaalsContact CA-O 3.29Å; T9-R59 WeakPolarHBondContact CA-O 3.48Å; T9-R59 HydrophobicContact CG2-CB 4.19Å; T9-R59 HydrophobicContact CG2-CG 4.19Å; T9-R59 PolarHBondContact OG1-NH1 2.89Å; F10-R59 PolarHBondContact N-O 2.8Å; P48-R59 HydrophobicContact CB-CG 4.41Å; L49-R59 CarbonylContact O-C 3.6Å; L49-R59 VanDerWaalsContact O-CA 3.3Å; L49-R59 WeakPolarHBondContact O-CA 3.37Å; I50-R59 HydrophobicContact CG1-CB 4.42Å; I50-R59 HydrophobicContact CG1-CG 4.19Å |
| 60 | F | 96.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.6 | 159.3 | -75.1 | -56 | 0 | 0 | 0 | 109.1 | F10 L12 P48 L49 F51 V62 C84 L163 V164 L167 | F10-F60 HydrophobicContact CB-CD1 3.76Å; F10-F60 HydrophobicContact CB-CE1 3.78Å; F10-F60 HydrophobicContact CD2-CE1 4.46Å; F10-F60 HydrophobicContact CG-CE1 4.4Å; F10-F60 CarbonylContact O-C 3.58Å; F10-F60 WeakPolarHBondContact O-CA 3.42Å; L12-F60 HydrophobicContact CB-CB 4.23Å; L12-F60 HydrophobicContact CB-CD1 3.86Å; L12-F60 HydrophobicContact CB-CG 4.2Å; L12-F60 HydrophobicContact CD1-CB 4.42Å; L12-F60 HydrophobicContact CD1-CD1 4.01Å; L12-F60 HydrophobicContact CD1-CD2 4.08Å; L12-F60 HydrophobicContact CD1-CE1 4.26Å; L12-F60 HydrophobicContact CD1-CE2 4.31Å; L12-F60 HydrophobicContact CD1-CG 3.93Å; L12-F60 HydrophobicContact CD1-CZ 4.4Å; P48-F60 CarbonylContact C-O 3.58Å; P48-F60 WeakPolarHBondContact CA-O 3.33Å; L49-F60 PolarHBondContact N-O 3.06Å; L49-F60 PolarHBondContact O-N 3.27Å; F51-F60 HydrophobicContact CD2-CD2 4.01Å; F51-F60 AromaticContact CE2-CD2 3.66Å; F51-F60 HydrophobicContact CE2-CD2 3.66Å; F51-F60 HydrophobicContact CE2-CE2 4.41Å; F60-V62 HydrophobicContact CB-CG2 3.88Å; F60-V62 PolarHBondContact O-N 3.4Å; F60-C84 VanDerWaalsContact CE1-SG 3.53Å; F60-L163 HydrophobicContact CZ-CB 3.98Å; F60-V164 HydrophobicContact CE2-CG2 3.42Å; F60-V164 VanDerWaalsContact CE2-CG2 3.42Å; F60-V164 HydrophobicContact CZ-CG2 3.39Å; F60-L167 HydrophobicContact CE1-CD1 3.63Å; F60-L167 HydrophobicContact CZ-CD1 4Å |
| 61 | N | 96.4 | Very high | 90.1 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 97.8 | 158.8 | -74.4 | -16.3 | 0 | 0 | 0 | 106.4 | T9 F10 L12 V46 W63 | T9-N61 WeakPolarHBondContact CG2-ND2 3.4Å; F10-N61 PolarHBondContact O-N 2.99Å; L12-N61 PolarHBondContact N-O 3.33Å; V46-N61 HydrophobicContact CG1-CB 4.29Å; N61-W63 PolarHBondContact O-N 3.39Å |
| 62 | V | 97 | Very high | 88.8 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 116.4 | -178.4 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | L12 L14 V26 V46 H47 L49 F60 D64 | L12-V62 HydrophobicContact CB-CG2 4.27Å; L12-V62 HydrophobicContact CD1-CG2 4.49Å; L12-V62 HydrophobicContact CD2-CG1 3.95Å; L12-V62 HydrophobicContact CD2-CG2 4.29Å; L12-V62 CarbonylContact O-C 3.56Å; L12-V62 WeakPolarHBondContact O-CA 3.41Å; L14-V62 HydrophobicContact CB-CG1 4.04Å; L14-V62 HydrophobicContact CD2-CG1 4.27Å; V26-V62 HydrophobicContact CG1-CG1 4.5Å; V26-V62 HydrophobicContact CG2-CG1 3.65Å; V46-V62 WeakPolarHBondContact CA-O 3.33Å; H47-V62 HydrophobicContact CB-CB 4.44Å; H47-V62 PolarHBondContact N-O 3.49Å; H47-V62 PolarHBondContact O-N 3.03Å; L49-V62 HydrophobicContact CD1-CG2 3.6Å; L49-V62 HydrophobicContact CG-CG2 3.81Å; F60-V62 HydrophobicContact CB-CG2 3.88Å; F60-V62 PolarHBondContact O-N 3.4Å; V62-D64 PolarHBondContact O-N 3.01Å |
| 63 | W | 96.2 | Very high | 87.6 | Confident | 63 Ų | 63 | 49.2 Ų | 49.2 | 24% | 0.239 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 92.6 | 173.3 | -72.3 | 51.5 | 0 | 0 | 0 | 107.6 | K11 L12 L14 V44 V46 N61 T65 Y78 | K11-W63 HydrophobicContact CD-CD2 4.35Å; K11-W63 HydrophobicContact CD-CZ2 4.28Å; K11-W63 VanDerWaalsContact CE-CD2 3.49Å; K11-W63 HydrophobicContact CG-CG 4.38Å; L12-W63 PolarHBondContact O-N 3.23Å; L14-W63 PolarHBondContact N-O 3.06Å; V44-W63 HydrophobicContact CG1-CE3 4.4Å; V44-W63 HydrophobicContact CG2-CB 3.88Å; V44-W63 HydrophobicContact CG2-CD2 4.29Å; V44-W63 HydrophobicContact CG2-CE3 3.87Å; V44-W63 HydrophobicContact CG2-CG 4.36Å; V46-W63 HydrophobicContact CG2-CD2 3.9Å; V46-W63 HydrophobicContact CG2-CE3 4.46Å; V46-W63 HydrophobicContact CG2-CG 4.07Å; V46-W63 HydrophobicContact CG2-CZ2 4.31Å; N61-W63 PolarHBondContact O-N 3.39Å; W63-T65 PolarHBondContact O-N 3.03Å; W63-Y78 HydrophobicContact CE3-CD1 4.3Å; W63-Y78 HydrophobicContact CZ3-CD1 4.1Å |
| 64 | D | 94.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 105.5 | 174 | -179.4 | 29.2 | 0 | 0 | 0 | 109.3 | K22 T23 V26 V44 E45 V62 | K22-D64 WeakPolarHBondContact CB-OD1 3.31Å; T23-D64 WeakPolarHBondContact CA-OD2 3.2Å; T23-D64 VanDerWaalsContact CB-OD2 3.3Å; T23-D64 WeakPolarHBondContact CB-OD2 3.4Å; T23-D64 PolarHBondContact OG1-OD2 2.81Å; V26-D64 HydrophobicContact CG2-CB 4.43Å; V44-D64 VanDerWaalsContact CA-O 3.31Å; V44-D64 WeakPolarHBondContact CA-O 3.44Å; V44-D64 WeakPolarHBondContact CG2-O 3.25Å; E45-D64 PolarHBondContact N-O 2.87Å; E45-D64 PolarHBondContact O-N 2.89Å; V62-D64 PolarHBondContact O-N 3.01Å |
| 65 | T | 92.6 | Very high | 85.8 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 148.8 | -174.3 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | V13 L14 V15 K22 V44 W63 G67 Y78 | V13-T65 HydrophobicContact CG1-CG2 4.2Å; L14-T65 PolarHBondContact O-N 3.01Å; L14-T65 VanDerWaalsContact O-N 3.16Å; L14-T65 PolarHBondContact O-OG1 2.93Å; V15-T65 HydrophobicContact CG1-CG2 4.41Å; K22-T65 WeakPolarHBondContact CE-O 3.49Å; V44-T65 HydrophobicContact CG2-CG2 4.33Å; W63-T65 PolarHBondContact O-N 3.03Å; T65-G67 PolarHBondContact O-N 3.11Å; T65-Y78 HydrophobicContact CG2-CD2 4.48Å |
| 66 | A | 89.6 | Confident | 85.2 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | trans | -63.5 | 124.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T41 G43 Q68 F71 | T41-A66 WeakPolarHBondContact O-CB 3.31Å; G43-A66 WeakPolarHBondContact O-CB 3.45Å; G43-A66 PolarHBondContact O-N 2.89Å; A66-Q68 VanDerWaalsContact C-N 3.33Å; A66-F71 HydrophobicContact CB-CB 4.03Å; A66-F71 HydrophobicContact CB-CD2 3.71Å; A66-F71 HydrophobicContact CB-CG 4.17Å | ||
| 67 | G | 83.7 | Confident | 85 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | trans | -86.2 | 1.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | G16 D17 G18 T65 | G16-G67 WeakPolarHBondContact O-CA 3.46Å; D17-G67 CarbonylContact C-O 3.54Å; G18-G67 PolarHBondContact N-O 2.79Å; T65-G67 PolarHBondContact O-N 3.11Å | ||
| 68 | Q | 80.4 | Confident | 84.9 | Confident | 64 Ų | 64 | 46.7 Ų | 46.7 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | trans | -86.8 | 134 | -176.8 | -58.5 | -69.9 | -30.4 | 0 | 0 | 110.1 | Y38 A40 A66 K70 F71 | Y38-Q68 PolarHBondContact OH-NE2 2.59Å; Y38-Q68 VanDerWaalsContact OH-NE2 3.09Å; A40-Q68 HydrophobicContact CB-CG 4.38Å; A66-Q68 VanDerWaalsContact C-N 3.33Å; Q68-K70 HydrophobicContact CB-CG 4.04Å; Q68-K70 PolarHBondContact O-N 3.32Å; Q68-F71 HydrophobicContact CB-CD2 3.83Å; Q68-F71 HydrophobicContact CB-CE2 4.2Å; Q68-F71 HydrophobicContact CG-CD2 4.49Å; Q68-F71 PolarHBondContact O-N 3.49Å | ||
| 69 | E | 73.7 | Confident | 84.9 | Confident | 125 Ų | 125 | 46.5 Ų | 46.5 | 58% | 0.584 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -56.1 | -34.5 | -180 | -75.1 | -55.4 | 124.9 | 0 | 0 | 113.5 | F71 G72 R75 | E69-F71 PolarHBondContact O-N 3.06Å; E69-G72 PolarHBondContact O-N 3.15Å; E69-R75 IonicContact OE1-CZ 3.72Å; E69-R75 IonicContact OE1-NH1 2.74Å; E69-R75 PolarHBondContact OE1-NH1 3.24Å; E69-R75 IonicContact OE1-NH2 3.43Å; E69-R75 PolarHBondContact OE1-NH2 2.99Å; E69-R75 IonicContact OE2-NH1 3.42Å; E69-R75 IonicContact OE2-NH2 3.11Å |
| 70 | K | 75.6 | Confident | 84.9 | Confident | 163 Ų | 163 | 48.3 Ų | 48.3 | 71% | 0.709 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -59.2 | -17 | 176.9 | 67.4 | -178.6 | 179 | 177.7 | 0 | 114.6 | Q68 | Q68-K70 HydrophobicContact CB-CG 4.04Å; Q68-K70 PolarHBondContact O-N 3.32Å |
| 71 | F | 67.6 | Low | 84.8 | Confident | 54 Ų | 54 | 56.1 Ų | 56.1 | 24% | 0.237 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -103.9 | 8.7 | 175.3 | -57 | -59.7 | 0 | 0 | 0 | 112.9 | L42 A66 Q68 E69 G73 L74 | L42-F71 HydrophobicContact CD2-CE1 4.33Å; L42-F71 HydrophobicContact CD2-CE2 3.91Å; L42-F71 HydrophobicContact CD2-CZ 3.45Å; L42-F71 VanDerWaalsContact CD2-CZ 3.45Å; A66-F71 HydrophobicContact CB-CB 4.03Å; A66-F71 HydrophobicContact CB-CD2 3.71Å; A66-F71 HydrophobicContact CB-CG 4.17Å; Q68-F71 HydrophobicContact CB-CD2 3.83Å; Q68-F71 HydrophobicContact CB-CE2 4.2Å; Q68-F71 HydrophobicContact CG-CD2 4.49Å; Q68-F71 PolarHBondContact O-N 3.49Å; E69-F71 PolarHBondContact O-N 3.06Å; F71-G73 VanDerWaalsContact C-N 3.27Å; F71-G73 PolarHBondContact O-N 3.13Å; F71-L74 PolarHBondContact O-N 3.16Å |
| 72 | G | 65.7 | Low | 84.8 | Confident | 22 Ų | 22 | 54 Ų | 54 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -57.6 | -33.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E69 L74 R75 | E69-G72 PolarHBondContact O-N 3.15Å; G72-L74 PolarHBondContact O-N 2.86Å; G72-L74 VanDerWaalsContact O-N 3.12Å; G72-R75 WeakPolarHBondContact O-CB 3.44Å; G72-R75 VanDerWaalsContact O-CG 3.32Å; G72-R75 WeakPolarHBondContact O-CG 3.3Å; G72-R75 PolarHBondContact O-N 3.49Å; G72-R75 VanDerWaalsContact O-N 3.15Å |
| 73 | G | 67.6 | Low | 84.9 | Confident | 85 Ų | 85 | 57.5 Ų | 57.5 | 88% | 0.876 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -64.4 | -16.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116 | F71 | F71-G73 VanDerWaalsContact C-N 3.27Å; F71-G73 PolarHBondContact O-N 3.13Å |
| 74 | L | 72.4 | Confident | 85 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 58% | 0.581 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -102.3 | -2.3 | 178.5 | -63.8 | 176.8 | 0 | 0 | 0 | 113.6 | F71 G72 D76 G77 Y78 | F71-L74 PolarHBondContact O-N 3.16Å; G72-L74 PolarHBondContact O-N 2.86Å; G72-L74 VanDerWaalsContact O-N 3.12Å; L74-D76 PolarHBondContact O-N 3.02Å; L74-G77 PolarHBondContact O-N 3.05Å; L74-Y78 HydrophobicContact CB-CE2 3.83Å; L74-Y78 WeakPolarHBondContact O-CD2 3.3Å |
| 75 | R | 79.3 | Confident | 85.2 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.6 | -45.7 | -169.9 | -75.1 | 177.2 | -175.4 | 169.1 | 6.2 | 113.1 | E69 G72 G77 Y78 Y79 W103 | E69-R75 IonicContact OE1-CZ 3.72Å; E69-R75 IonicContact OE1-NH1 2.74Å; E69-R75 PolarHBondContact OE1-NH1 3.24Å; E69-R75 IonicContact OE1-NH2 3.43Å; E69-R75 PolarHBondContact OE1-NH2 2.99Å; E69-R75 IonicContact OE2-NH1 3.42Å; E69-R75 IonicContact OE2-NH2 3.11Å; G72-R75 WeakPolarHBondContact O-CB 3.44Å; G72-R75 VanDerWaalsContact O-CG 3.32Å; G72-R75 WeakPolarHBondContact O-CG 3.3Å; G72-R75 PolarHBondContact O-N 3.49Å; G72-R75 VanDerWaalsContact O-N 3.15Å; R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.02Å; R75-Y78 WeakPolarHBondContact O-CB 3.34Å; R75-Y78 PolarHBondContact O-N 3Å; R75-Y79 HydrophobicContact CB-CE2 4.03Å; R75-Y79 WeakPolarHBondContact O-CD1 3.44Å; R75-Y79 PolarHBondContact O-N 3.13Å; R75-W103 HydrophobicContact CG-CZ3 4.46Å; R75-W103 VanDerWaalsContact NE-CH2 3.25Å; R75-W103 VanDerWaalsContact NH2-CH2 3.3Å |
| 76 | D | 83.4 | Confident | 85.5 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.8 | -39.7 | -177.2 | -71.2 | 2.5 | 0 | 0 | 0 | 112.2 | L74 Y78 Y79 I80 R109 V110 | L74-D76 PolarHBondContact O-N 3.02Å; D76-Y78 VanDerWaalsContact C-N 3.25Å; D76-Y78 PolarHBondContact O-N 3.27Å; D76-Y79 PolarHBondContact O-N 3.02Å; D76-I80 PolarHBondContact O-N 2.98Å; D76-R109 IonicContact OD1-CZ 2.81Å; D76-R109 IonicContact OD1-NE 3.25Å; D76-R109 IonicContact OD1-NH2 3.67Å; D76-R109 PolarHBondContact OD1-NH2 2.93Å; D76-R109 IonicContact OD2-CZ 3.36Å; D76-R109 IonicContact OD2-NE 2.89Å; D76-R109 IonicContact OD2-NH2 2.66Å; D76-R109 PolarHBondContact OD2-NH2 2.73Å; D76-V110 HydrophobicContact CB-CG2 4.01Å |
| 77 | G | 90 | Very high | 85.9 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.1 | -33.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L74 R75 Y79 | L74-G77 PolarHBondContact O-N 3.05Å; R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.02Å; G77-Y79 VanDerWaalsContact C-N 3.31Å |
| 78 | Y | 91.9 | Very high | 86.6 | Confident | 41 Ų | 41 | 53.9 Ų | 53.9 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73 | -25.8 | 175.2 | -55.8 | -41.5 | 0 | 0 | 0 | 112.5 | K11 G43 V44 W63 T65 L74 R75 D76 | K11-Y78 WeakPolarHBondContact CE-O 3.43Å; K11-Y78 PolarHBondContact NZ-O 2.78Å; G43-Y78 VanDerWaalsContact CA-OH 3.25Å; G43-Y78 WeakPolarHBondContact CA-OH 3.37Å; V44-Y78 HydrophobicContact CB-CD1 3.84Å; V44-Y78 HydrophobicContact CB-CD2 4.36Å; V44-Y78 HydrophobicContact CB-CE1 3.81Å; V44-Y78 HydrophobicContact CB-CE2 4.34Å; V44-Y78 HydrophobicContact CB-CG 4.13Å; V44-Y78 HydrophobicContact CG1-CD1 3.53Å; V44-Y78 HydrophobicContact CG1-CE1 3.31Å; V44-Y78 HydrophobicContact CG1-CG 4.32Å; V44-Y78 HydrophobicContact CG2-CD1 4.49Å; W63-Y78 HydrophobicContact CE3-CD1 4.3Å; W63-Y78 HydrophobicContact CZ3-CD1 4.1Å; T65-Y78 HydrophobicContact CG2-CD2 4.48Å; L74-Y78 HydrophobicContact CB-CE2 3.83Å; L74-Y78 WeakPolarHBondContact O-CD2 3.3Å; R75-Y78 WeakPolarHBondContact O-CB 3.34Å; R75-Y78 PolarHBondContact O-N 3Å; D76-Y78 VanDerWaalsContact C-N 3.25Å; D76-Y78 PolarHBondContact O-N 3.27Å |
| 79 | Y | 94.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -80 | -31.5 | -178.2 | -57.6 | -19 | 0 | 0 | 0 | 113.1 | V13 V15 R75 D76 G77 Q81 G82 W103 D106 L107 V110 C111 | V13-Y79 HydrophobicContact CG1-CD1 3.51Å; V13-Y79 HydrophobicContact CG1-CE1 3.74Å; V15-Y79 HydrophobicContact CG1-CD1 4.46Å; V15-Y79 HydrophobicContact CG1-CE1 3.5Å; V15-Y79 VanDerWaalsContact CG1-CE1 3.5Å; R75-Y79 HydrophobicContact CB-CE2 4.03Å; R75-Y79 WeakPolarHBondContact O-CD1 3.44Å; R75-Y79 PolarHBondContact O-N 3.13Å; D76-Y79 PolarHBondContact O-N 3.02Å; G77-Y79 VanDerWaalsContact C-N 3.31Å; Y79-Q81 PolarHBondContact O-N 3.25Å; Y79-G82 WeakPolarHBondContact O-CA 3.36Å; Y79-G82 PolarHBondContact O-N 2.9Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.44Å; Y79-D106 HydrophobicContact CE2-CB 4.1Å; Y79-L107 HydrophobicContact CD1-CD1 4.12Å; Y79-L107 HydrophobicContact CD2-CD1 4.43Å; Y79-L107 HydrophobicContact CG-CD1 4.06Å; Y79-V110 HydrophobicContact CD2-CB 4.39Å; Y79-V110 HydrophobicContact CD2-CG2 4.11Å; Y79-C111 PolarHBondContact O-SG 2.79Å |
| 80 | I | 94 | Very high | 88.6 | Confident | 94 Ų | 94 | 45.7 Ų | 45.7 | 48% | 0.482 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.9 | 128 | -177.9 | -67.8 | 170.4 | 0 | 0 | 0 | 111.6 | K11 D76 G82 V110 | K11-I80 WeakPolarHBondContact CE-O 3.28Å; K11-I80 PolarHBondContact NZ-O 3Å; D76-I80 PolarHBondContact O-N 2.98Å; I80-G82 PolarHBondContact O-N 2.95Å; I80-V110 HydrophobicContact CG1-CG1 4.05Å |
| 81 | Q | 94.9 | Very high | 89.7 | Confident | 165 Ų | 165 | 38 Ų | 38 | 77% | 0.771 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 19.1 | -177.7 | -60.5 | 171.5 | -12.1 | 0 | 0 | 115.1 | Y79 Q83 | Y79-Q81 PolarHBondContact O-N 3.25Å; Q81-Q83 PolarHBondContact O-N 2.98Å |
| 82 | G | 97.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | trans | -58.6 | 131.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y79 I80 I114 | Y79-G82 WeakPolarHBondContact O-CA 3.36Å; Y79-G82 PolarHBondContact O-N 2.9Å; I80-G82 PolarHBondContact O-N 2.95Å; G82-I114 WeakPolarHBondContact O-CG2 3.31Å | ||
| 83 | Q | 98.1 | Very high | 92.6 | Very high | 78 Ų | 78 | 37.8 Ų | 37.8 | 36% | 0.364 | 23% | 0.226 | S | C | . | . | trans | -103 | -21.7 | -179.4 | -68.8 | 166.4 | -79.5 | 0 | 0 | 111.7 | F10 K11 Q81 I114 P115 L167 | F10-Q83 VanDerWaalsContact CA-OE1 3.25Å; F10-Q83 HydrophobicContact CD1-CB 4.46Å; K11-Q83 PolarHBondContact O-N 2.89Å; Q81-Q83 PolarHBondContact O-N 2.98Å; Q83-I114 WeakPolarHBondContact O-CB 3.46Å; Q83-P115 WeakPolarHBondContact O-CD 3.37Å; Q83-L167 HydrophobicContact CB-CD2 4.36Å; Q83-L167 WeakPolarHBondContact O-CD2 3.16Å | ||
| 84 | C | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 166 | 173.5 | 58.8 | 0 | 0 | 0 | 0 | 110 | K11 L12 V13 F60 P115 L163 L167 | K11-C84 PolarHBondContact O-N 3.39Å; L12-C84 WeakPolarHBondContact CA-O 3.43Å; V13-C84 PolarHBondContact N-O 2.9Å; F60-C84 VanDerWaalsContact CE1-SG 3.53Å; C84-P115 VanDerWaalsContact CA-O 3.28Å; C84-P115 WeakPolarHBondContact CA-O 3.28Å; C84-L163 HydrophobicContact CB-CD1 4.34Å; C84-L163 HydrophobicContact CB-CD2 3.86Å; C84-L167 HydrophobicContact CB-CD1 4.08Å; C84-L167 HydrophobicContact CB-CD2 4.43Å |
| 85 | A | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 159 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V13 L107 I114 P115 I116 V117 | V13-A85 HydrophobicContact CB-CB 4.28Å; V13-A85 CarbonylContact O-C 3.57Å; V13-A85 WeakPolarHBondContact O-CA 3.38Å; V13-A85 VanDerWaalsContact O-CB 3.3Å; V13-A85 WeakPolarHBondContact O-CB 3.29Å; A85-L107 HydrophobicContact CB-CD1 4.26Å; A85-L107 HydrophobicContact CB-CD2 3.38Å; A85-L107 HydrophobicContact CB-CG 4.44Å; A85-I114 HydrophobicContact CB-CD1 4.07Å; A85-P115 PolarHBondContact N-O 2.8Å; A85-I116 HydrophobicContact CB-CG1 4.18Å; A85-I116 HydrophobicContact CB-CG2 4.47Å; A85-I116 WeakPolarHBondContact O-CA 3.43Å; A85-V117 PolarHBondContact O-N 2.47Å |
| 86 | I | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 125.6 | 164.6 | -64.4 | 176.1 | 0 | 0 | 0 | 107.7 | L12 V13 L14 V15 F25 V117 C119 P159 L163 | L12-I86 HydrophobicContact CD1-CD1 4.16Å; L12-I86 HydrophobicContact CD1-CG1 4.43Å; L12-I86 HydrophobicContact CD2-CB 4.49Å; L12-I86 HydrophobicContact CD2-CD1 4.23Å; L12-I86 HydrophobicContact CD2-CG1 4.2Å; V13-I86 PolarHBondContact O-N 3.31Å; L14-I86 HydrophobicContact CD1-CB 3.69Å; L14-I86 HydrophobicContact CD1-CG2 3.63Å; V15-I86 PolarHBondContact N-O 3.3Å; F25-I86 HydrophobicContact CE1-CD1 4.02Å; F25-I86 HydrophobicContact CZ-CD1 4.37Å; I86-V117 CarbonylContact C-O 3.56Å; I86-V117 VanDerWaalsContact CA-O 3.3Å; I86-V117 WeakPolarHBondContact CA-O 3.48Å; I86-V117 HydrophobicContact CG1-CB 4.42Å; I86-C119 HydrophobicContact CG2-CB 4.21Å; I86-P159 HydrophobicContact CD1-CB 3.84Å; I86-P159 HydrophobicContact CG1-CB 4.49Å; I86-L163 HydrophobicContact CD1-CD1 4.24Å; I86-L163 HydrophobicContact CG1-CD1 3.88Å |
| 87 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120 | 167.9 | -52.2 | -179.7 | 0 | 0 | 0 | 107 | V15 V100 W103 H104 I116 V117 L118 C119 | V15-I87 HydrophobicContact CG2-CB 4.18Å; V15-I87 HydrophobicContact CG2-CG1 3.68Å; V15-I87 HydrophobicContact CG2-CG2 4.26Å; V15-I87 WeakPolarHBondContact O-CA 3.47Å; I87-V100 HydrophobicContact CG2-CG1 4.21Å; I87-V100 HydrophobicContact CG2-CG2 4.31Å; I87-W103 HydrophobicContact CG2-CB 4.11Å; I87-H104 HydrophobicContact CD1-CB 3.75Å; I87-I116 HydrophobicContact CD1-CG2 3.92Å; I87-I116 HydrophobicContact CG1-CG2 3.86Å; I87-V117 PolarHBondContact N-O 2.98Å; I87-L118 HydrophobicContact CB-CD1 4.1Å; I87-L118 HydrophobicContact CG2-CD1 4.13Å; I87-L118 CarbonylContact O-C 3.52Å; I87-L118 WeakPolarHBondContact O-CA 3.3Å; I87-C119 PolarHBondContact O-N 2.84Å |
| 88 | M | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.7 | -176.7 | -171.1 | 174.6 | -66.6 | 0 | 0 | 111.3 | L14 V15 G16 T20 G21 K22 F25 C119 N121 I148 | L14-M88 HydrophobicContact CD1-CE 4.22Å; V15-M88 PolarHBondContact O-N 3.46Å; G16-M88 WeakPolarHBondContact CA-O 3.5Å; T20-M88 PolarHBondContact OG1-O 2.9Å; G21-M88 VanDerWaalsContact C-SD 3.6Å; K22-M88 HydrophobicContact CG-CB 4.04Å; K22-M88 HydrophobicContact CG-SD 4.08Å; K22-M88 PolarHBondContact N-SD 3.5Å; F25-M88 HydrophobicContact CB-CE 3.81Å; F25-M88 HydrophobicContact CD1-CE 4.15Å; F25-M88 HydrophobicContact CD2-CE 4.27Å; F25-M88 HydrophobicContact CG-CE 3.82Å; M88-C119 WeakPolarHBondContact CA-O 3.4Å; M88-C119 HydrophobicContact CG-CB 4.5Å; M88-N121 HydrophobicContact CG-CB 4.03Å; M88-N121 HydrophobicContact SD-CB 4Å; M88-I148 HydrophobicContact CE-CD1 3.77Å |
| 89 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 167.8 | 168.2 | 73.9 | -86 | 0 | 0 | 0 | 110.5 | V91 Y97 V100 L118 C119 G120 N121 V130 I135 Y145 | F89-V91 HydrophobicContact CE2-CG1 3.92Å; F89-V91 HydrophobicContact CZ-CG1 4.44Å; F89-Y97 AromaticContact CD1-CD2 3.9Å; F89-Y97 HydrophobicContact CD1-CD2 3.9Å; F89-Y97 AromaticContact CD2-CD2 3.88Å; F89-Y97 HydrophobicContact CD2-CD2 3.88Å; F89-Y97 HydrophobicContact CD2-CG 4.31Å; F89-Y97 AromaticContact CE1-CD2 3.78Å; F89-Y97 HydrophobicContact CE1-CD2 3.78Å; F89-Y97 HydrophobicContact CE1-CE2 4.14Å; F89-Y97 AromaticContact CE2-CD2 3.79Å; F89-Y97 HydrophobicContact CE2-CD2 3.79Å; F89-Y97 HydrophobicContact CE2-CG 4.33Å; F89-Y97 AromaticContact CG-CD2 3.94Å; F89-Y97 HydrophobicContact CG-CD2 3.94Å; F89-Y97 AromaticContact CZ-CD2 3.74Å; F89-Y97 HydrophobicContact CZ-CD2 3.74Å; F89-Y97 HydrophobicContact CZ-CE2 4.22Å; F89-V100 HydrophobicContact CB-CG2 3.98Å; F89-V100 HydrophobicContact CD1-CG2 4.11Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.19Å; F89-L118 HydrophobicContact CE1-CD1 3.99Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; F89-L118 HydrophobicContact CE1-CG 3.9Å; F89-C119 VanDerWaalsContact CD1-O 3.28Å; F89-C119 WeakPolarHBondContact CD1-O 3.46Å; F89-C119 PolarHBondContact N-O 2.93Å; F89-G120 VanDerWaalsContact CZ-CA 3.45Å; F89-N121 PolarHBondContact O-N 3.07Å; F89-V130 HydrophobicContact CE2-CB 4.19Å; F89-V130 HydrophobicContact CE2-CG1 3.89Å; F89-I135 HydrophobicContact CE2-CD1 4.42Å; F89-I135 HydrophobicContact CZ-CD1 3.87Å; F89-I135 HydrophobicContact CZ-CG1 4.21Å; F89-I135 HydrophobicContact CZ-CG2 4.44Å; F89-Y145 AromaticContact CE1-CE2 3.72Å; F89-Y145 HydrophobicContact CE1-CE2 3.72Å; F89-Y145 AromaticContact CZ-CE2 3.85Å; F89-Y145 HydrophobicContact CZ-CE2 3.85Å |
| 90 | D | 98.2 | Very high | 97.5 | Very high | 18 Ų | 18 | 41.8 Ų | 41.8 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 120.5 | 179.5 | 174.6 | -10.1 | 0 | 0 | 0 | 109.5 | T20 T92 A93 T96 F122 | T20-D90 HydrophobicContact CG2-CB 4.25Å; D90-T92 VanDerWaalsContact CG-OG1 3.22Å; D90-T92 PolarHBondContact O-N 2.96Å; D90-T92 VanDerWaalsContact O-N 3.13Å; D90-T92 WeakPolarHBondContact OD1-CA 3.08Å; D90-T92 VanDerWaalsContact OD1-CB 3.26Å; D90-T92 WeakPolarHBondContact OD1-CB 3.43Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.45Å; D90-T92 PolarHBondContact OD1-N 2.85Å; D90-T92 PolarHBondContact OD1-OG1 3.41Å; D90-T92 PolarHBondContact OD2-OG1 2.83Å; D90-T92 VanDerWaalsContact OD2-OG1 3.14Å; D90-A93 HydrophobicContact CB-CB 4.13Å; D90-A93 PolarHBondContact O-N 3.19Å; D90-A93 VanDerWaalsContact O-N 3.08Å; D90-T96 HydrophobicContact CB-CG2 4.24Å; D90-T96 PolarHBondContact N-OG1 3Å; D90-T96 PolarHBondContact O-OG1 3.37Å; D90-F122 HydrophobicContact CB-CD2 4.14Å; D90-F122 HydrophobicContact CB-CE2 4.38Å; D90-F122 WeakPolarHBondContact OD1-CD2 3.33Å; D90-F122 WeakPolarHBondContact OD2-CD2 3.37Å |
| 91 | V | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.9 | -178.5 | -55.5 | 0 | 0 | 0 | 0 | 113.6 | F89 N121 V123 R128 K129 V130 | F89-V91 HydrophobicContact CE2-CG1 3.92Å; F89-V91 HydrophobicContact CZ-CG1 4.44Å; V91-N121 WeakPolarHBondContact CG1-O 3.46Å; V91-N121 WeakPolarHBondContact CG2-O 3.41Å; V91-N121 PolarHBondContact N-O 3.47Å; V91-V123 HydrophobicContact CG1-CG1 4.02Å; V91-V123 HydrophobicContact CG2-CG1 4.15Å; V91-R128 HydrophobicContact CB-CG 4.03Å; V91-R128 HydrophobicContact CG2-CB 4.49Å; V91-R128 HydrophobicContact CG2-CG 3.96Å; V91-K129 CarbonylContact O-C 3.51Å; V91-K129 WeakPolarHBondContact O-CA 3.43Å; V91-K129 PolarHBondContact O-N 3.47Å; V91-V130 PolarHBondContact O-N 3.09Å |
| 92 | T | 97.7 | Very high | 97.6 | Very high | 43 Ų | 43 | 34.1 Ų | 34.1 | 26% | 0.264 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -14.5 | 176.4 | 78.5 | 0 | 0 | 0 | 0 | 112.7 | D90 F122 V125 K129 | D90-T92 VanDerWaalsContact CG-OG1 3.22Å; D90-T92 PolarHBondContact O-N 2.96Å; D90-T92 VanDerWaalsContact O-N 3.13Å; D90-T92 WeakPolarHBondContact OD1-CA 3.08Å; D90-T92 VanDerWaalsContact OD1-CB 3.26Å; D90-T92 WeakPolarHBondContact OD1-CB 3.43Å; D90-T92 WeakPolarHBondContact OD1-CG2 3.45Å; D90-T92 PolarHBondContact OD1-N 2.85Å; D90-T92 PolarHBondContact OD1-OG1 3.41Å; D90-T92 PolarHBondContact OD2-OG1 2.83Å; D90-T92 VanDerWaalsContact OD2-OG1 3.14Å; T92-F122 HydrophobicContact CG2-CB 4.35Å; T92-V125 HydrophobicContact CG2-CB 3.67Å; T92-V125 HydrophobicContact CG2-CG1 3.74Å; T92-V125 HydrophobicContact CG2-CG2 4.14Å; T92-K129 WeakPolarHBondContact O-CG 3.33Å |
| 93 | A | 97.5 | Very high | 97.6 | Very high | 29 Ų | 29 | 34 Ų | 34 | 24% | 0.24 | 17% | 0.17 | C | C | . | . | trans | -123.8 | 96.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D90 V95 T96 | D90-A93 HydrophobicContact CB-CB 4.13Å; D90-A93 PolarHBondContact O-N 3.19Å; D90-A93 VanDerWaalsContact O-N 3.08Å; A93-V95 PolarHBondContact O-N 3.48Å; A93-V95 VanDerWaalsContact O-N 3.08Å; A93-T96 HydrophobicContact CB-CG2 3.84Å; A93-T96 WeakPolarHBondContact O-CB 3.24Å; A93-T96 PolarHBondContact O-N 3.01Å; A93-T96 PolarHBondContact O-OG1 3.38Å | ||
| 94 | R | 97.5 | Very high | 97.4 | Very high | 179 Ų | 179 | 31.4 Ų | 31.4 | 68% | 0.675 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -51.7 | -36.6 | -176.7 | -65.5 | -176.9 | -177.9 | 156.8 | 0.8 | 114.2 | T96 Y97 K98 K129 V130 | R94-T96 PolarHBondContact O-N 3.34Å; R94-Y97 PolarHBondContact O-N 2.9Å; R94-Y97 VanDerWaalsContact O-N 3.16Å; R94-K98 PolarHBondContact O-N 2.74Å; R94-K129 HydrophobicContact CG-CB 3.93Å; R94-V130 HydrophobicContact CG-CG2 4.25Å |
| 95 | V | 97 | Very high | 97.2 | Very high | 88 Ų | 88 | 37.7 Ų | 37.7 | 53% | 0.533 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58 | -37.1 | 179.3 | 66.3 | 0 | 0 | 0 | 0 | 112 | A93 Y97 K98 N99 | A93-V95 PolarHBondContact O-N 3.48Å; A93-V95 VanDerWaalsContact O-N 3.08Å; V95-Y97 VanDerWaalsContact C-N 3.3Å; V95-Y97 PolarHBondContact O-N 3.06Å; V95-K98 WeakPolarHBondContact O-CB 3.29Å; V95-K98 PolarHBondContact O-N 2.85Å; V95-N99 PolarHBondContact O-N 3.27Å; V95-N99 PolarHBondContact O-ND2 3.03Å |
| 96 | T | 98 | Very high | 97 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.1 | -32.9 | -179 | 69.9 | 0 | 0 | 0 | 0 | 112 | D17 T20 D90 A93 R94 | D17-T96 HydrophobicContact CB-CG2 3.85Å; D17-T96 WeakPolarHBondContact OD2-CA 3.2Å; T20-T96 HydrophobicContact CG2-CG2 3.89Å; D90-T96 HydrophobicContact CB-CG2 4.24Å; D90-T96 PolarHBondContact N-OG1 3Å; D90-T96 PolarHBondContact O-OG1 3.37Å; A93-T96 HydrophobicContact CB-CG2 3.84Å; A93-T96 WeakPolarHBondContact O-CB 3.24Å; A93-T96 PolarHBondContact O-N 3.01Å; A93-T96 PolarHBondContact O-OG1 3.38Å; R94-T96 PolarHBondContact O-N 3.34Å |
| 97 | Y | 98.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 7% | 0.071 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73 | -41.7 | 172.1 | -174.2 | -108.9 | 0 | 0 | 0 | 111.6 | F89 R94 V95 N99 V100 L118 V130 T134 I135 T136 F137 | F89-Y97 AromaticContact CD1-CD2 3.9Å; F89-Y97 HydrophobicContact CD1-CD2 3.9Å; F89-Y97 AromaticContact CD2-CD2 3.88Å; F89-Y97 HydrophobicContact CD2-CD2 3.88Å; F89-Y97 HydrophobicContact CD2-CG 4.31Å; F89-Y97 AromaticContact CE1-CD2 3.78Å; F89-Y97 HydrophobicContact CE1-CD2 3.78Å; F89-Y97 HydrophobicContact CE1-CE2 4.14Å; F89-Y97 AromaticContact CE2-CD2 3.79Å; F89-Y97 HydrophobicContact CE2-CD2 3.79Å; F89-Y97 HydrophobicContact CE2-CG 4.33Å; F89-Y97 AromaticContact CG-CD2 3.94Å; F89-Y97 HydrophobicContact CG-CD2 3.94Å; F89-Y97 AromaticContact CZ-CD2 3.74Å; F89-Y97 HydrophobicContact CZ-CD2 3.74Å; F89-Y97 HydrophobicContact CZ-CE2 4.22Å; R94-Y97 PolarHBondContact O-N 2.9Å; R94-Y97 VanDerWaalsContact O-N 3.16Å; V95-Y97 VanDerWaalsContact C-N 3.3Å; V95-Y97 PolarHBondContact O-N 3.06Å; Y97-N99 PolarHBondContact O-N 3.2Å; Y97-V100 HydrophobicContact CD2-CG2 4.13Å; Y97-V100 VanDerWaalsContact O-CB 3.3Å; Y97-V100 WeakPolarHBondContact O-CB 3.34Å; Y97-V100 WeakPolarHBondContact O-CG2 3.29Å; Y97-V100 PolarHBondContact O-N 2.93Å; Y97-L118 HydrophobicContact CE2-CD2 4.26Å; Y97-V130 HydrophobicContact CD1-CG1 4.08Å; Y97-V130 HydrophobicContact CD2-CG1 4.31Å; Y97-V130 HydrophobicContact CG-CG1 3.86Å; Y97-T134 VanDerWaalsContact CE1-O 3.29Å; Y97-T134 WeakPolarHBondContact CE1-O 3.06Å; Y97-I135 HydrophobicContact CE2-CB 4.36Å; Y97-I135 HydrophobicContact CE2-CG1 4.26Å; Y97-I135 HydrophobicContact CE2-CG2 3.87Å; Y97-I135 VanDerWaalsContact OH-CA 3.28Å; Y97-I135 WeakPolarHBondContact OH-CA 3.36Å; Y97-T136 PolarHBondContact OH-N 3.27Å; Y97-F137 WeakPolarHBondContact OH-CB 3.47Å; Y97-F137 PolarHBondContact OH-N 2.74Å |
| 98 | K | 97.2 | Very high | 96.5 | Very high | 108 Ų | 108 | 40.4 Ų | 40.4 | 47% | 0.47 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.8 | -30.8 | 175.2 | -173.5 | 176.5 | -178 | 176.9 | 0 | 112.4 | R94 V95 P101 L215 | R94-K98 PolarHBondContact O-N 2.74Å; V95-K98 WeakPolarHBondContact O-CB 3.29Å; V95-K98 PolarHBondContact O-N 2.85Å; K98-P101 VanDerWaalsContact O-CD 3.27Å; K98-P101 WeakPolarHBondContact O-CD 3.45Å; K98-L215 WeakPolarHBondContact CE-OXT 3.3Å; K98-L215 HydrophobicContact CG-CD2 4.4Å |
| 99 | N | 96.5 | Very high | 96.3 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 21% | 0.214 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -9.5 | 178.5 | -71.4 | -24.1 | 0 | 0 | 0 | 114.5 | D17 V95 Y97 P101 N102 W103 | D17-N99 WeakPolarHBondContact OD1-CB 3.38Å; D17-N99 PolarHBondContact OD1-ND2 3.26Å; D17-N99 PolarHBondContact OD2-ND2 2.83Å; V95-N99 PolarHBondContact O-N 3.27Å; V95-N99 PolarHBondContact O-ND2 3.03Å; Y97-N99 PolarHBondContact O-N 3.2Å; N99-P101 VanDerWaalsContact C-CD 3.48Å; N99-N102 WeakPolarHBondContact O-CB 3.27Å; N99-N102 PolarHBondContact O-N 2.92Å; N99-W103 VanDerWaalsContact O-CD1 3.26Å; N99-W103 PolarHBondContact O-N 2.89Å |
| 100 | V | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.2 | -44.4 | 178.2 | 167.9 | 0 | 0 | 0 | 0 | 113 | I87 F89 Y97 N102 W103 H104 L118 F137 | I87-V100 HydrophobicContact CG2-CG1 4.21Å; I87-V100 HydrophobicContact CG2-CG2 4.31Å; F89-V100 HydrophobicContact CB-CG2 3.98Å; F89-V100 HydrophobicContact CD1-CG2 4.11Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; Y97-V100 HydrophobicContact CD2-CG2 4.13Å; Y97-V100 VanDerWaalsContact O-CB 3.3Å; Y97-V100 WeakPolarHBondContact O-CB 3.34Å; Y97-V100 WeakPolarHBondContact O-CG2 3.29Å; Y97-V100 PolarHBondContact O-N 2.93Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 2.73Å; V100-W103 PolarHBondContact O-N 2.89Å; V100-H104 WeakPolarHBondContact O-CB 3.28Å; V100-H104 PolarHBondContact O-N 3.3Å; V100-L118 HydrophobicContact CB-CD1 4.48Å; V100-L118 HydrophobicContact CG1-CD1 3.66Å; V100-L118 HydrophobicContact CG1-CD2 4.49Å; V100-L118 HydrophobicContact CG2-CD1 3.91Å; V100-F137 HydrophobicContact CG1-CD1 3.51Å; V100-F137 HydrophobicContact CG1-CE1 3.77Å; V100-F137 HydrophobicContact CG1-CG 4.13Å |
| 101 | P | 96.3 | Very high | 95.9 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 24% | 0.24 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.3 | -37.1 | 175.2 | -25.5 | 34.7 | 0 | 0 | 0 | 113.9 | K98 N99 R105 F137 | K98-P101 VanDerWaalsContact O-CD 3.27Å; K98-P101 WeakPolarHBondContact O-CD 3.45Å; N99-P101 VanDerWaalsContact C-CD 3.48Å; P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.29Å; P101-R105 PolarHBondContact O-N 2.97Å; P101-F137 HydrophobicContact CB-CD2 4.34Å; P101-F137 HydrophobicContact CB-CE2 3.71Å; P101-F137 HydrophobicContact CB-CZ 4.24Å; P101-F137 HydrophobicContact CG-CD2 3.8Å; P101-F137 HydrophobicContact CG-CE2 3.7Å; P101-F137 HydrophobicContact CG-CZ 4.44Å |
| 102 | N | 94.2 | Very high | 95.4 | Very high | 60 Ų | 60 | 56.6 Ų | 56.6 | 32% | 0.321 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.5 | -50 | 177.8 | -67.2 | -41.8 | 0 | 0 | 0 | 111.1 | N99 V100 H104 R105 D106 | N99-N102 WeakPolarHBondContact O-CB 3.27Å; N99-N102 PolarHBondContact O-N 2.92Å; V100-N102 VanDerWaalsContact C-N 3.26Å; V100-N102 PolarHBondContact O-N 2.73Å; N102-H104 VanDerWaalsContact C-N 3.3Å; N102-H104 PolarHBondContact O-N 3.43Å; N102-R105 PolarHBondContact O-N 2.85Å; N102-R105 PolarHBondContact OD1-NH1 3.03Å; N102-R105 PolarHBondContact OD1-NH2 3.38Å; N102-D106 VanDerWaalsContact O-CG 3.22Å; N102-D106 PolarHBondContact O-N 3.49Å |
| 103 | W | 95.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 176.4 | -71.5 | 107.3 | 0 | 0 | 0 | 112.5 | V15 G16 D17 R75 Y79 I87 N99 V100 L107 | V15-W103 HydrophobicContact CB-CD2 4.39Å; V15-W103 HydrophobicContact CB-CE3 3.76Å; V15-W103 HydrophobicContact CB-CZ3 4.15Å; V15-W103 HydrophobicContact CG1-CE3 4.43Å; V15-W103 HydrophobicContact CG2-CB 4.28Å; V15-W103 HydrophobicContact CG2-CE3 4.33Å; G16-W103 VanDerWaalsContact C-CE2 3.4Å; G16-W103 VanDerWaalsContact C-CZ2 3.41Å; G16-W103 VanDerWaalsContact O-CZ2 3.3Å; G16-W103 WeakPolarHBondContact O-CZ2 3.28Å; D17-W103 PolarHBondContact OD1-NE1 3.28Å; R75-W103 HydrophobicContact CG-CZ3 4.46Å; R75-W103 VanDerWaalsContact NE-CH2 3.25Å; R75-W103 VanDerWaalsContact NH2-CH2 3.3Å; Y79-W103 WeakPolarHBondContact OH-CZ3 3.44Å; I87-W103 HydrophobicContact CG2-CB 4.11Å; N99-W103 VanDerWaalsContact O-CD1 3.26Å; N99-W103 PolarHBondContact O-N 2.89Å; V100-W103 PolarHBondContact O-N 2.89Å; W103-L107 VanDerWaalsContact O-CB 3.28Å; W103-L107 WeakPolarHBondContact O-CB 3.42Å; W103-L107 PolarHBondContact O-N 3.02Å |
| 104 | H | 95.7 | Very high | 95.1 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 11% | 0.111 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 176.3 | 175.9 | -79.5 | 0 | 0 | 0 | 111.8 | I87 V100 N102 D106 L107 A108 F137 | I87-H104 HydrophobicContact CD1-CB 3.75Å; V100-H104 WeakPolarHBondContact O-CB 3.28Å; V100-H104 PolarHBondContact O-N 3.3Å; N102-H104 VanDerWaalsContact C-N 3.3Å; N102-H104 PolarHBondContact O-N 3.43Å; H104-D106 PolarHBondContact O-N 2.98Å; H104-L107 PolarHBondContact O-N 3.22Å; H104-A108 WeakPolarHBondContact O-CB 3.3Å; H104-A108 PolarHBondContact O-N 3.06Å; H104-F137 HydrophobicContact CB-CE1 3.67Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.9Å; H104-F137 AromaticContact CG-CE1 3.71Å; H104-F137 AromaticContact CG-CZ 3.61Å; H104-F137 AromaticContact ND1-CZ 3.95Å |
| 105 | R | 93.7 | Very high | 95.1 | Very high | 133 Ų | 133 | 55 Ų | 55 | 50% | 0.502 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 178.1 | 178.3 | -165.5 | 64.7 | -136.7 | -9.1 | 111.1 | P101 N102 A108 R109 | P101-R105 VanDerWaalsContact O-CB 3.29Å; P101-R105 WeakPolarHBondContact O-CB 3.29Å; P101-R105 PolarHBondContact O-N 2.97Å; N102-R105 PolarHBondContact O-N 2.85Å; N102-R105 PolarHBondContact OD1-NH1 3.03Å; N102-R105 PolarHBondContact OD1-NH2 3.38Å; R105-A108 PolarHBondContact O-N 3.29Å; R105-R109 WeakPolarHBondContact O-CB 3.5Å; R105-R109 PolarHBondContact O-N 3.41Å |
| 106 | D | 93.1 | Very high | 95.2 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 10% | 0.102 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.3 | -39 | -176.9 | -60.9 | -8.6 | 0 | 0 | 0 | 111.1 | Y79 N102 H104 | Y79-D106 HydrophobicContact CE2-CB 4.1Å; N102-D106 VanDerWaalsContact O-CG 3.22Å; N102-D106 PolarHBondContact O-N 3.49Å; H104-D106 PolarHBondContact O-N 2.98Å |
| 107 | L | 94.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.8 | -49.7 | 173.8 | -178.6 | 71 | 0 | 0 | 0 | 112 | V13 Y79 A85 W103 H104 R109 V110 C111 I114 I116 | V13-L107 HydrophobicContact CB-CD1 4.35Å; V13-L107 HydrophobicContact CG1-CD1 4.37Å; Y79-L107 HydrophobicContact CD1-CD1 4.12Å; Y79-L107 HydrophobicContact CD2-CD1 4.43Å; Y79-L107 HydrophobicContact CG-CD1 4.06Å; A85-L107 HydrophobicContact CB-CD1 4.26Å; A85-L107 HydrophobicContact CB-CD2 3.38Å; A85-L107 HydrophobicContact CB-CG 4.44Å; W103-L107 VanDerWaalsContact O-CB 3.28Å; W103-L107 WeakPolarHBondContact O-CB 3.42Å; W103-L107 PolarHBondContact O-N 3.02Å; H104-L107 PolarHBondContact O-N 3.22Å; L107-R109 PolarHBondContact O-N 3.28Å; L107-V110 PolarHBondContact O-N 3.26Å; L107-C111 PolarHBondContact O-N 3.26Å; L107-I114 HydrophobicContact CD1-CD1 4.34Å; L107-I114 HydrophobicContact CD2-CD1 4.3Å; L107-I114 HydrophobicContact CG-CD1 4.38Å; L107-I116 HydrophobicContact CD2-CD1 3.68Å; L107-I116 HydrophobicContact CD2-CG1 4.03Å |
| 108 | A | 93.5 | Very high | 95.3 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 31% | 0.314 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66 | -24.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H104 R105 V110 | H104-A108 WeakPolarHBondContact O-CB 3.3Å; H104-A108 PolarHBondContact O-N 3.06Å; R105-A108 PolarHBondContact O-N 3.29Å; A108-V110 VanDerWaalsContact C-N 3.28Å; A108-V110 PolarHBondContact O-N 2.84Å |
| 109 | R | 92.9 | Very high | 95.3 | Very high | 148 Ų | 148 | 45 Ų | 45 | 56% | 0.558 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -64.5 | -31.4 | 172 | 179.8 | 177.5 | 65.8 | -165 | -4 | 112.7 | D76 R105 L107 | D76-R109 IonicContact OD1-CZ 2.81Å; D76-R109 IonicContact OD1-NE 3.25Å; D76-R109 IonicContact OD1-NH2 3.67Å; D76-R109 PolarHBondContact OD1-NH2 2.93Å; D76-R109 IonicContact OD2-CZ 3.36Å; D76-R109 IonicContact OD2-NE 2.89Å; D76-R109 IonicContact OD2-NH2 2.66Å; D76-R109 PolarHBondContact OD2-NH2 2.73Å; R105-R109 WeakPolarHBondContact O-CB 3.5Å; R105-R109 PolarHBondContact O-N 3.41Å; L107-R109 PolarHBondContact O-N 3.28Å |
| 110 | V | 94.8 | Very high | 95.4 | Very high | 46 Ų | 46 | 43 Ų | 43 | 28% | 0.279 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -103 | -37.5 | -176.2 | -176.6 | 0 | 0 | 0 | 0 | 112 | D76 Y79 I80 L107 A108 | D76-V110 HydrophobicContact CB-CG2 4.01Å; Y79-V110 HydrophobicContact CD2-CB 4.39Å; Y79-V110 HydrophobicContact CD2-CG2 4.11Å; I80-V110 HydrophobicContact CG1-CG1 4.05Å; L107-V110 PolarHBondContact O-N 3.26Å; A108-V110 VanDerWaalsContact C-N 3.28Å; A108-V110 PolarHBondContact O-N 2.84Å |
| 111 | C | 93.6 | Very high | 95.5 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -116.3 | 96 | -178.4 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | Y79 L107 I114 | Y79-C111 PolarHBondContact O-SG 2.79Å; L107-C111 PolarHBondContact O-N 3.26Å; C111-I114 HydrophobicContact CB-CD1 3.55Å; C111-I114 HydrophobicContact CB-CG1 3.85Å; C111-I114 HydrophobicContact CB-CG2 4.02Å |
| 112 | E | 89.1 | Confident | 95.5 | Very high | 155 Ų | 155 | 42.7 Ų | 42.7 | 72% | 0.724 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 133.7 | 176.4 | -63.6 | -176.1 | -177.7 | 0 | 0 | 111 | I114 | E112-I114 VanDerWaalsContact C-N 3.32Å; E112-I114 PolarHBondContact O-N 3.19Å |
| 113 | N | 91.2 | Very high | 95.6 | Very high | 162 Ų | 162 | 39.9 Ų | 39.9 | 87% | 0.866 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 29.3 | 168.7 | -56.5 | -49.2 | 0 | 0 | 0 | 116.9 | ||
| 114 | I | 97.3 | Very high | 95.5 | Very high | 28 Ų | 28 | 41 Ų | 41 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | trans | -81.8 | 149.7 | 173.8 | 60.2 | 163.5 | 0 | 0 | 0 | 112.1 | G82 Q83 A85 L107 C111 E112 I116 | G82-I114 WeakPolarHBondContact O-CG2 3.31Å; Q83-I114 WeakPolarHBondContact O-CB 3.46Å; A85-I114 HydrophobicContact CB-CD1 4.07Å; L107-I114 HydrophobicContact CD1-CD1 4.34Å; L107-I114 HydrophobicContact CD2-CD1 4.3Å; L107-I114 HydrophobicContact CG-CD1 4.38Å; C111-I114 HydrophobicContact CB-CD1 3.55Å; C111-I114 HydrophobicContact CB-CG1 3.85Å; C111-I114 HydrophobicContact CB-CG2 4.02Å; E112-I114 VanDerWaalsContact C-N 3.32Å; E112-I114 PolarHBondContact O-N 3.19Å; I114-I116 HydrophobicContact CD1-CG1 4.33Å; I114-I116 HydrophobicContact CG1-CD1 4.27Å; I114-I116 HydrophobicContact CG1-CG1 4.01Å; I114-I116 PolarHBondContact O-N 2.81Å | ||
| 115 | P | 98.2 | Very high | 95.4 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 19% | 0.188 | 21% | 0.211 | C | C | . | . | trans | -63.1 | 128.1 | 169.8 | -20.9 | 33.3 | 0 | 0 | 0 | 111 | Q83 C84 A85 W162 L163 K166 L167 | Q83-P115 WeakPolarHBondContact O-CD 3.37Å; C84-P115 VanDerWaalsContact CA-O 3.28Å; C84-P115 WeakPolarHBondContact CA-O 3.28Å; A85-P115 PolarHBondContact N-O 2.8Å; P115-W162 HydrophobicContact CB-CH2 4.38Å; P115-W162 HydrophobicContact CB-CZ3 3.84Å; P115-L163 HydrophobicContact CB-CD2 3.84Å; P115-L163 WeakPolarHBondContact O-CD2 3.44Å; P115-K166 HydrophobicContact CB-CB 3.91Å; P115-K166 HydrophobicContact CB-CG 4.46Å; P115-K166 HydrophobicContact CG-CB 3.84Å; P115-L167 HydrophobicContact CG-CD2 4.31Å; P115-L167 HydrophobicContact CG-CG 4.48Å | ||
| 116 | I | 98.5 | Very high | 95.3 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.3 | -180 | -57 | 165.2 | 0 | 0 | 0 | 109.7 | A85 I87 L107 I114 L143 Q144 | A85-I116 HydrophobicContact CB-CG1 4.18Å; A85-I116 HydrophobicContact CB-CG2 4.47Å; A85-I116 WeakPolarHBondContact O-CA 3.43Å; I87-I116 HydrophobicContact CD1-CG2 3.92Å; I87-I116 HydrophobicContact CG1-CG2 3.86Å; L107-I116 HydrophobicContact CD2-CD1 3.68Å; L107-I116 HydrophobicContact CD2-CG1 4.03Å; I114-I116 HydrophobicContact CD1-CG1 4.33Å; I114-I116 HydrophobicContact CG1-CD1 4.27Å; I114-I116 HydrophobicContact CG1-CG1 4.01Å; I114-I116 PolarHBondContact O-N 2.81Å; I116-L143 HydrophobicContact CB-CD2 3.97Å; I116-L143 HydrophobicContact CD1-CD2 4.45Å; I116-L143 HydrophobicContact CG2-CD1 4.22Å; I116-L143 HydrophobicContact CG2-CD2 4.37Å; I116-Q144 PolarHBondContact O-N 2.75Å |
| 117 | V | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.9 | 170.2 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | A85 I86 I87 Q144 Y146 P159 W162 L163 | A85-V117 PolarHBondContact O-N 2.47Å; I86-V117 CarbonylContact C-O 3.56Å; I86-V117 VanDerWaalsContact CA-O 3.3Å; I86-V117 WeakPolarHBondContact CA-O 3.48Å; I86-V117 HydrophobicContact CG1-CB 4.42Å; I87-V117 PolarHBondContact N-O 2.98Å; V117-Q144 CarbonylContact C-O 3.55Å; V117-Q144 WeakPolarHBondContact CA-O 3.38Å; V117-Q144 HydrophobicContact CG2-CB 4.26Å; V117-Y146 HydrophobicContact CG1-CD2 3.74Å; V117-Y146 HydrophobicContact CG1-CE2 4.26Å; V117-P159 HydrophobicContact CB-CB 4.44Å; V117-P159 HydrophobicContact CG1-CB 3.97Å; V117-P159 HydrophobicContact CG1-CG 4.4Å; V117-W162 HydrophobicContact CG2-CD2 4.17Å; V117-W162 HydrophobicContact CG2-CE3 3.4Å; V117-W162 HydrophobicContact CG2-CZ3 3.86Å; V117-L163 HydrophobicContact CG2-CD1 4.32Å; V117-L163 HydrophobicContact CG2-CD2 3.73Å; V117-L163 HydrophobicContact CG2-CG 3.71Å |
| 118 | L | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.2 | 167.4 | -179 | 65.9 | 0 | 0 | 0 | 109.3 | I87 F89 Y97 V100 I135 H138 Q144 Y145 Y146 | I87-L118 HydrophobicContact CB-CD1 4.1Å; I87-L118 HydrophobicContact CG2-CD1 4.13Å; I87-L118 CarbonylContact O-C 3.52Å; I87-L118 WeakPolarHBondContact O-CA 3.3Å; F89-L118 HydrophobicContact CD1-CD1 3.75Å; F89-L118 HydrophobicContact CD1-CG 4.19Å; F89-L118 HydrophobicContact CE1-CD1 3.99Å; F89-L118 HydrophobicContact CE1-CD2 4.16Å; F89-L118 HydrophobicContact CE1-CG 3.9Å; Y97-L118 HydrophobicContact CE2-CD2 4.26Å; V100-L118 HydrophobicContact CB-CD1 4.48Å; V100-L118 HydrophobicContact CG1-CD1 3.66Å; V100-L118 HydrophobicContact CG1-CD2 4.49Å; V100-L118 HydrophobicContact CG2-CD1 3.91Å; L118-I135 HydrophobicContact CD2-CG2 4.29Å; L118-H138 HydrophobicContact CD2-CB 4.05Å; L118-Q144 PolarHBondContact N-O 3.26Å; L118-Y145 HydrophobicContact CB-CD2 4.13Å; L118-Y145 HydrophobicContact CD2-CD2 3.93Å; L118-Y145 HydrophobicContact CD2-CE2 4.46Å; L118-Y145 HydrophobicContact CG-CD2 3.89Å; L118-Y145 HydrophobicContact CG-CE2 4.35Å; L118-Y145 WeakPolarHBondContact O-CA 3.37Å; L118-Y145 VanDerWaalsContact O-CD2 3.3Å; L118-Y145 WeakPolarHBondContact O-CD2 3.45Å; L118-Y146 PolarHBondContact O-N 2.96Å |
| 119 | C | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.7 | 179 | -68.5 | 0 | 0 | 0 | 0 | 111.2 | I86 I87 M88 F89 Y146 I148 P159 | I86-C119 HydrophobicContact CG2-CB 4.21Å; I87-C119 PolarHBondContact O-N 2.84Å; M88-C119 WeakPolarHBondContact CA-O 3.4Å; M88-C119 HydrophobicContact CG-CB 4.5Å; F89-C119 VanDerWaalsContact CD1-O 3.28Å; F89-C119 WeakPolarHBondContact CD1-O 3.46Å; F89-C119 PolarHBondContact N-O 2.93Å; C119-Y146 WeakPolarHBondContact CA-O 3.18Å; C119-I148 HydrophobicContact CB-CD1 3.81Å; C119-I148 HydrophobicContact CB-CG1 4.15Å; C119-P159 VanDerWaalsContact SG-CG 3.51Å |
| 120 | G | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 103.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | F89 Y146 I148 | F89-G120 VanDerWaalsContact CZ-CA 3.45Å; G120-Y146 PolarHBondContact N-O 2.92Å; G120-I148 PolarHBondContact O-N 3.26Å |
| 121 | N | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 165.5 | -177.6 | -167 | 24.4 | 0 | 0 | 0 | 112.5 | T20 M88 F89 V91 I148 A150 | T20-N121 WeakPolarHBondContact O-CB 3.32Å; T20-N121 PolarHBondContact O-ND2 2.94Å; M88-N121 HydrophobicContact CG-CB 4.03Å; M88-N121 HydrophobicContact SD-CB 4Å; F89-N121 PolarHBondContact O-N 3.07Å; V91-N121 WeakPolarHBondContact CG1-O 3.46Å; V91-N121 WeakPolarHBondContact CG2-O 3.41Å; V91-N121 PolarHBondContact N-O 3.47Å; N121-I148 CarbonylContact C-O 3.59Å; N121-I148 VanDerWaalsContact CA-O 3.29Å; N121-I148 WeakPolarHBondContact CA-O 3.38Å; N121-I148 HydrophobicContact CB-CD1 4.25Å; N121-I148 HydrophobicContact CB-CG1 3.96Å; N121-I148 PolarHBondContact OD1-O 3.03Å; N121-A150 PolarHBondContact OD1-N 3.08Å |
| 122 | F | 96.6 | Very high | 95.7 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | trans | 68.3 | 32.8 | -179.9 | -51.5 | -34 | 0 | 0 | 0 | 115.1 | G19 D90 T92 D124 V125 I148 | G19-F122 WeakPolarHBondContact O-CE2 3.22Å; D90-F122 HydrophobicContact CB-CD2 4.14Å; D90-F122 HydrophobicContact CB-CE2 4.38Å; D90-F122 WeakPolarHBondContact OD1-CD2 3.33Å; D90-F122 WeakPolarHBondContact OD2-CD2 3.37Å; T92-F122 HydrophobicContact CG2-CB 4.35Å; F122-D124 WeakPolarHBondContact CA-OD1 3.38Å; F122-D124 PolarHBondContact O-N 2.85Å; F122-D124 VanDerWaalsContact O-N 3.16Å; F122-V125 HydrophobicContact CB-CG2 4.16Å; F122-V125 WeakPolarHBondContact O-CB 3.39Å; F122-V125 PolarHBondContact O-N 2.66Å; F122-I148 PolarHBondContact N-O 2.8Å | ||
| 123 | V | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.2 | 173.7 | -58 | 0 | 0 | 0 | 0 | 113.5 | V91 V125 D147 I148 Y154 M188 M192 Y196 | V91-V123 HydrophobicContact CG1-CG1 4.02Å; V91-V123 HydrophobicContact CG2-CG1 4.15Å; V123-V125 PolarHBondContact O-N 3.3Å; V123-D147 HydrophobicContact CG1-CB 3.84Å; V123-I148 WeakPolarHBondContact CG2-O 2.88Å; V123-I148 PolarHBondContact N-O 2.89Å; V123-Y154 HydrophobicContact CG2-CD1 3.67Å; V123-Y154 HydrophobicContact CG2-CE1 4.16Å; V123-M188 HydrophobicContact CB-CE 4.36Å; V123-M188 HydrophobicContact CG2-CE 3.62Å; V123-M188 HydrophobicContact CG2-SD 4.17Å; V123-M192 WeakPolarHBondContact O-CE 3.12Å; V123-Y196 HydrophobicContact CB-CD2 4.24Å; V123-Y196 HydrophobicContact CB-CE2 3.99Å; V123-Y196 WeakPolarHBondContact O-CE2 3.4Å |
| 124 | D | 94.3 | Very high | 96.1 | Very high | 29 Ų | 29 | 40.9 Ų | 40.9 | 16% | 0.155 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.3 | 169 | 54.9 | -69.9 | 0 | 0 | 0 | 113.6 | F122 S149 V186 M188 | F122-D124 WeakPolarHBondContact CA-OD1 3.38Å; F122-D124 PolarHBondContact O-N 2.85Å; F122-D124 VanDerWaalsContact O-N 3.16Å; D124-S149 WeakPolarHBondContact CB-OG 3.48Å; D124-S149 WeakPolarHBondContact OD1-CB 3.12Å; D124-S149 PolarHBondContact OD1-OG 3.26Å; D124-V186 HydrophobicContact CB-CG2 3.74Å; D124-M188 WeakPolarHBondContact CA-SD 3.4Å; D124-M188 HydrophobicContact CB-SD 3.62Å |
| 125 | V | 93.5 | Very high | 96 | Very high | 56 Ų | 56 | 39.8 Ų | 39.8 | 34% | 0.339 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -85.3 | 121.4 | -180 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | T92 F122 V123 D127 | T92-V125 HydrophobicContact CG2-CB 3.67Å; T92-V125 HydrophobicContact CG2-CG1 3.74Å; T92-V125 HydrophobicContact CG2-CG2 4.14Å; F122-V125 HydrophobicContact CB-CG2 4.16Å; F122-V125 WeakPolarHBondContact O-CB 3.39Å; F122-V125 PolarHBondContact O-N 2.66Å; V123-V125 PolarHBondContact O-N 3.3Å; V125-D127 VanDerWaalsContact C-N 3.29Å; V125-D127 PolarHBondContact O-N 2.86Å |
| 126 | K | 90.5 | Very high | 95.9 | Very high | 176 Ų | 176 | 39.4 Ų | 39.4 | 77% | 0.765 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -58.2 | -36.4 | -178.3 | -66.2 | -172 | 177.4 | -172.9 | 0 | 113.6 | R128 | K126-R128 PolarHBondContact O-N 2.8Š|
| 127 | D | 92.8 | Very high | 95.8 | Very high | 95 Ų | 95 | 40 Ų | 40 | 51% | 0.508 | 19% | 0.193 | S | C | . | . | trans | -81.9 | 54.4 | -178.8 | -168.2 | 21.9 | 0 | 0 | 0 | 112.9 | V125 K129 | V125-D127 VanDerWaalsContact C-N 3.29Å; V125-D127 PolarHBondContact O-N 2.86Å; D127-K129 VanDerWaalsContact CG-CE 3.45Å; D127-K129 PolarHBondContact O-N 3.13Å; D127-K129 WeakPolarHBondContact OD1-CE 3.48Å; D127-K129 IonicContact OD1-NZ 2.87Å; D127-K129 PolarHBondContact OD1-NZ 3.36Å; D127-K129 WeakPolarHBondContact OD2-CE 3.29Å; D127-K129 IonicContact OD2-NZ 3.5Å; D127-K129 PolarHBondContact OD2-NZ 3.31Å | ||
| 128 | R | 95.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | trans | -64.4 | 116.6 | 177.2 | 178.9 | 178.7 | -175.2 | 151.3 | 10.3 | 110.9 | V91 K126 V130 K131 D147 Y196 | V91-R128 HydrophobicContact CB-CG 4.03Å; V91-R128 HydrophobicContact CG2-CB 4.49Å; V91-R128 HydrophobicContact CG2-CG 3.96Å; K126-R128 PolarHBondContact O-N 2.8Å; R128-V130 WeakPolarHBondContact CG-O 3.33Å; R128-V130 PolarHBondContact NE-O 2.98Å; R128-K131 HydrophobicContact CG-CD 4.19Å; R128-K131 WeakPolarHBondContact O-CE 3.23Å; R128-K131 PolarHBondContact O-NZ 2.79Å; R128-D147 IonicContact CZ-OD1 3.93Å; R128-D147 IonicContact CZ-OD2 2.59Å; R128-D147 IonicContact NH1-OD1 3.19Å; R128-D147 IonicContact NH1-OD2 3.56Å; R128-D147 PolarHBondContact NH1-OD2 3.49Å; R128-D147 IonicContact NH2-OD1 3.88Å; R128-D147 PolarHBondContact NH2-OD1 3.02Å; R128-D147 IonicContact NH2-OD2 2.8Å; R128-D147 PolarHBondContact NH2-OD2 2.98Å; R128-Y196 VanDerWaalsContact NH1-CD1 3.31Å | ||
| 129 | K | 97 | Very high | 95.3 | Very high | 83 Ų | 83 | 45.5 Ų | 45.5 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | trans | -93 | -29.4 | -178.9 | -58.7 | -56.6 | -172.3 | -168.1 | 0 | 114.5 | V91 T92 R94 D127 | V91-K129 CarbonylContact O-C 3.51Å; V91-K129 WeakPolarHBondContact O-CA 3.43Å; V91-K129 PolarHBondContact O-N 3.47Å; T92-K129 WeakPolarHBondContact O-CG 3.33Å; R94-K129 HydrophobicContact CG-CB 3.93Å; D127-K129 VanDerWaalsContact CG-CE 3.45Å; D127-K129 PolarHBondContact O-N 3.13Å; D127-K129 WeakPolarHBondContact OD1-CE 3.48Å; D127-K129 IonicContact OD1-NZ 2.87Å; D127-K129 PolarHBondContact OD1-NZ 3.36Å; D127-K129 WeakPolarHBondContact OD2-CE 3.29Å; D127-K129 IonicContact OD2-NZ 3.5Å; D127-K129 PolarHBondContact OD2-NZ 3.31Å | ||
| 130 | V | 96.9 | Very high | 95 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.024 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -102 | 104 | 177.3 | -172 | 0 | 0 | 0 | 0 | 107.9 | F89 V91 R94 Y97 R128 I135 | F89-V130 HydrophobicContact CE2-CB 4.19Å; F89-V130 HydrophobicContact CE2-CG1 3.89Å; V91-V130 PolarHBondContact O-N 3.09Å; R94-V130 HydrophobicContact CG-CG2 4.25Å; Y97-V130 HydrophobicContact CD1-CG1 4.08Å; Y97-V130 HydrophobicContact CD2-CG1 4.31Å; Y97-V130 HydrophobicContact CG-CG1 3.86Å; R128-V130 WeakPolarHBondContact CG-O 3.33Å; R128-V130 PolarHBondContact NE-O 2.98Å; V130-I135 HydrophobicContact CG1-CD1 3.96Å; V130-I135 HydrophobicContact CG1-CG1 3.6Å |
| 131 | K | 95.2 | Very high | 94.8 | Very high | 78 Ų | 78 | 55 Ų | 55 | 34% | 0.339 | 26% | 0.257 | S | S | . | . | trans | -89.7 | 158.5 | -174.3 | -60.4 | -59.4 | -168.3 | -172.6 | 0 | 110.8 | R128 K133 T134 I135 | R128-K131 HydrophobicContact CG-CD 4.19Å; R128-K131 WeakPolarHBondContact O-CE 3.23Å; R128-K131 PolarHBondContact O-NZ 2.79Å; K131-K133 HydrophobicContact CB-CG 4.24Å; K131-K133 PolarHBondContact O-N 3.32Å; K131-K133 VanDerWaalsContact O-N 3.13Å; K131-T134 PolarHBondContact N-OG1 3.17Å; K131-T134 PolarHBondContact O-N 2.9Å; K131-T134 PolarHBondContact O-OG1 3.28Å; K131-I135 WeakPolarHBondContact O-CG1 3.06Å | ||
| 132 | A | 94.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -50 | -43.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T134 I135 E199 I200 A203 | A132-T134 PolarHBondContact O-N 3.35Å; A132-T134 VanDerWaalsContact O-N 3.16Å; A132-I135 PolarHBondContact O-N 2.65Å; A132-E199 HydrophobicContact CB-CB 3.83Å; A132-E199 WeakPolarHBondContact CB-O 3.31Å; A132-I200 HydrophobicContact CB-CG1 4.03Å; A132-A203 HydrophobicContact CB-CB 4.06Å |
| 133 | K | 93.4 | Very high | 94.6 | Very high | 165 Ų | 165 | 61.5 Ų | 61.5 | 72% | 0.717 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -59.2 | -25.8 | 178.2 | 69.7 | 177.3 | -175.7 | 174.3 | 0 | 115.3 | K131 | K131-K133 HydrophobicContact CB-CG 4.24Å; K131-K133 PolarHBondContact O-N 3.32Å; K131-K133 VanDerWaalsContact O-N 3.13Å |
| 134 | T | 93.6 | Very high | 94.6 | Very high | 64 Ų | 64 | 64.3 Ų | 64.3 | 39% | 0.393 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -89.7 | -9.7 | 179.3 | 61.5 | 0 | 0 | 0 | 0 | 112.3 | Y97 K131 A132 T136 | Y97-T134 VanDerWaalsContact CE1-O 3.29Å; Y97-T134 WeakPolarHBondContact CE1-O 3.06Å; K131-T134 PolarHBondContact N-OG1 3.17Å; K131-T134 PolarHBondContact O-N 2.9Å; K131-T134 PolarHBondContact O-OG1 3.28Å; A132-T134 PolarHBondContact O-N 3.35Å; A132-T134 VanDerWaalsContact O-N 3.16Å; T134-T136 PolarHBondContact O-N 2.76Å |
| 135 | I | 96 | Very high | 94.8 | Very high | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | trans | -92.9 | 80.2 | -174 | -58.4 | 164.5 | 0 | 0 | 0 | 108.8 | F89 Y97 L118 V130 K131 A132 H138 Y145 | F89-I135 HydrophobicContact CE2-CD1 4.42Å; F89-I135 HydrophobicContact CZ-CD1 3.87Å; F89-I135 HydrophobicContact CZ-CG1 4.21Å; F89-I135 HydrophobicContact CZ-CG2 4.44Å; Y97-I135 HydrophobicContact CE2-CB 4.36Å; Y97-I135 HydrophobicContact CE2-CG1 4.26Å; Y97-I135 HydrophobicContact CE2-CG2 3.87Å; Y97-I135 VanDerWaalsContact OH-CA 3.28Å; Y97-I135 WeakPolarHBondContact OH-CA 3.36Å; L118-I135 HydrophobicContact CD2-CG2 4.29Å; V130-I135 HydrophobicContact CG1-CD1 3.96Å; V130-I135 HydrophobicContact CG1-CG1 3.6Å; K131-I135 WeakPolarHBondContact O-CG1 3.06Å; A132-I135 PolarHBondContact O-N 2.65Å; I135-H138 PolarHBondContact O-CE1 3.18Å; I135-H138 PolarHBondContact O-ND1 3.2Å; I135-H138 VanDerWaalsContact O-ND1 3.13Å; I135-Y145 HydrophobicContact CD1-CE1 4.28Å; I135-Y145 HydrophobicContact CD1-CE2 4.38Å; I135-Y145 VanDerWaalsContact CD1-OH 3.31Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.43Å; I135-Y145 HydrophobicContact CG2-CD1 4.49Å; I135-Y145 HydrophobicContact CG2-CD2 3.95Å; I135-Y145 HydrophobicContact CG2-CE1 4.37Å; I135-Y145 HydrophobicContact CG2-CE2 3.8Å; I135-Y145 HydrophobicContact CG2-CG 4.3Å | ||
| 136 | T | 95.5 | Very high | 95 | Very high | 21 Ų | 21 | 63.2 Ų | 63.2 | 13% | 0.129 | 29% | 0.294 | C | S | . | . | trans | -108 | -18.7 | -174 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | Y97 T134 H138 R139 K140 L208 | Y97-T136 PolarHBondContact OH-N 3.27Å; T134-T136 PolarHBondContact O-N 2.76Å; T136-H138 VanDerWaalsContact C-N 3.27Å; T136-H138 PolarHBondContact O-N 2.95Å; T136-H138 VanDerWaalsContact O-N 3.15Å; T136-R139 WeakPolarHBondContact O-CB 3.46Å; T136-R139 PolarHBondContact O-N 3.45Å; T136-K140 PolarHBondContact O-N 3.22Å; T136-L208 HydrophobicContact CG2-CD2 4.03Å | ||
| 137 | F | 96.3 | Very high | 95.4 | Very high | 22 Ų | 22 | 54.9 Ų | 54.9 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -53.1 | -40.5 | -175.3 | -174.3 | -98.8 | 0 | 0 | 0 | 114.1 | Y97 V100 P101 H104 R139 K140 K141 L143 | Y97-F137 WeakPolarHBondContact OH-CB 3.47Å; Y97-F137 PolarHBondContact OH-N 2.74Å; V100-F137 HydrophobicContact CG1-CD1 3.51Å; V100-F137 HydrophobicContact CG1-CE1 3.77Å; V100-F137 HydrophobicContact CG1-CG 4.13Å; P101-F137 HydrophobicContact CB-CD2 4.34Å; P101-F137 HydrophobicContact CB-CE2 3.71Å; P101-F137 HydrophobicContact CB-CZ 4.24Å; P101-F137 HydrophobicContact CG-CD2 3.8Å; P101-F137 HydrophobicContact CG-CE2 3.7Å; P101-F137 HydrophobicContact CG-CZ 4.44Å; H104-F137 HydrophobicContact CB-CE1 3.67Å; H104-F137 HydrophobicContact CB-CZ 3.6Å; H104-F137 AromaticContact CD2-CE1 3.9Å; H104-F137 AromaticContact CG-CE1 3.71Å; H104-F137 AromaticContact CG-CZ 3.61Å; H104-F137 AromaticContact ND1-CZ 3.95Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 2.87Å; F137-K140 PolarHBondContact O-N 3.02Å; F137-K141 HydrophobicContact CD1-CG 4.38Å; F137-K141 HydrophobicContact CD2-CG 4.49Å; F137-K141 HydrophobicContact CE1-CB 4.31Å; F137-K141 HydrophobicContact CE1-CG 3.79Å; F137-K141 HydrophobicContact CE2-CG 3.91Å; F137-K141 HydrophobicContact CZ-CD 4.48Å; F137-K141 HydrophobicContact CZ-CG 3.53Å; F137-K141 PolarHBondContact O-N 3.34Å; F137-K141 VanDerWaalsContact O-N 3.08Å; F137-L143 HydrophobicContact CD1-CD1 4.2Å; F137-L143 HydrophobicContact CE1-CD1 4.01Å |
| 138 | H | 95.2 | Very high | 95.6 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 15% | 0.153 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -34.9 | 179.8 | 70.8 | -84 | 0 | 0 | 0 | 112.5 | L118 I135 T136 K141 N142 L143 | L118-H138 HydrophobicContact CD2-CB 4.05Å; I135-H138 PolarHBondContact O-CE1 3.18Å; I135-H138 PolarHBondContact O-ND1 3.2Å; I135-H138 VanDerWaalsContact O-ND1 3.13Å; T136-H138 VanDerWaalsContact C-N 3.27Å; T136-H138 PolarHBondContact O-N 2.95Å; T136-H138 VanDerWaalsContact O-N 3.15Å; H138-K141 PolarHBondContact O-N 3.3Å; H138-N142 CarbonylContact O-C 3.59Å; H138-N142 WeakPolarHBondContact O-CA 2.96Å; H138-N142 PolarHBondContact O-N 3.05Å; H138-L143 HydrophobicContact CB-CB 4Å; H138-L143 PolarHBondContact O-N 2.99Å |
| 139 | R | 93.1 | Very high | 95.6 | Very high | 83 Ų | 83 | 50.2 Ų | 50.2 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.5 | -43.3 | 176.1 | -61.9 | 175 | 60.9 | -167.3 | -1.5 | 110.9 | T136 F137 K141 N142 A203 A206 L208 | T136-R139 WeakPolarHBondContact O-CB 3.46Å; T136-R139 PolarHBondContact O-N 3.45Å; F137-R139 VanDerWaalsContact C-N 3.27Å; F137-R139 PolarHBondContact O-N 2.87Å; R139-K141 VanDerWaalsContact C-N 3.28Å; R139-K141 PolarHBondContact O-N 3.16Å; R139-N142 PolarHBondContact O-N 3.02Å; R139-A203 PolarHBondContact NH1-O 3.23Å; R139-A203 VanDerWaalsContact NH1-O 3.1Å; R139-A206 VanDerWaalsContact CZ-O 3.23Å; R139-A206 PolarHBondContact NH1-O 3.5Å; R139-A206 PolarHBondContact NH2-O 3.45Å; R139-L208 HydrophobicContact CB-CD1 4.26Å; R139-L208 HydrophobicContact CB-CD2 3.99Å; R139-L208 HydrophobicContact CG-CD2 4.48Å |
| 140 | K | 91.5 | Very high | 95.3 | Very high | 91 Ų | 91 | 46.2 Ų | 46.2 | 40% | 0.396 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.5 | -29.6 | 178.5 | -59.9 | -171.8 | -177 | -172.3 | 0 | 113.1 | T136 F137 L208 D211 | T136-K140 PolarHBondContact O-N 3.22Å; F137-K140 PolarHBondContact O-N 3.02Å; K140-L208 HydrophobicContact CG-CD1 4.49Å; K140-D211 WeakPolarHBondContact CE-OD1 2.96Å; K140-D211 IonicContact NZ-OD1 2.65Å; K140-D211 PolarHBondContact NZ-OD1 2.57Å |
| 141 | K | 94.3 | Very high | 95 | Very high | 109 Ų | 109 | 49.8 Ų | 49.8 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -109.1 | 6.6 | -177.6 | -63 | -56.2 | -176.1 | -172.7 | 0 | 114.6 | F137 H138 R139 L143 | F137-K141 HydrophobicContact CD1-CG 4.38Å; F137-K141 HydrophobicContact CD2-CG 4.49Å; F137-K141 HydrophobicContact CE1-CB 4.31Å; F137-K141 HydrophobicContact CE1-CG 3.79Å; F137-K141 HydrophobicContact CE2-CG 3.91Å; F137-K141 HydrophobicContact CZ-CD 4.48Å; F137-K141 HydrophobicContact CZ-CG 3.53Å; F137-K141 PolarHBondContact O-N 3.34Å; F137-K141 VanDerWaalsContact O-N 3.08Å; H138-K141 PolarHBondContact O-N 3.3Å; R139-K141 VanDerWaalsContact C-N 3.28Å; R139-K141 PolarHBondContact O-N 3.16Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 HydrophobicContact CB-CD1 4.14Å; K141-L143 HydrophobicContact CB-CD2 4.02Å; K141-L143 HydrophobicContact CB-CG 3.77Å; K141-L143 VanDerWaalsContact O-CD2 3.32Å; K141-L143 WeakPolarHBondContact O-CD2 3.46Å; K141-L143 PolarHBondContact O-N 3.39Å |
| 142 | N | 93.4 | Very high | 94.8 | Very high | 149 Ų | 149 | 46.9 Ų | 46.9 | 80% | 0.797 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 43.5 | -177.1 | -167.6 | 32.9 | 0 | 0 | 0 | 113.6 | H138 R139 | H138-N142 CarbonylContact O-C 3.59Å; H138-N142 WeakPolarHBondContact O-CA 2.96Å; H138-N142 PolarHBondContact O-N 3.05Å; R139-N142 PolarHBondContact O-N 3.02Å |
| 143 | L | 97.1 | Very high | 94.7 | Very high | 19 Ų | 19 | 48 Ų | 48 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | trans | -97.6 | 151.4 | 176.7 | -43.4 | -175.6 | 0 | 0 | 0 | 109.9 | I116 F137 H138 K141 | I116-L143 HydrophobicContact CB-CD2 3.97Å; I116-L143 HydrophobicContact CD1-CD2 4.45Å; I116-L143 HydrophobicContact CG2-CD1 4.22Å; I116-L143 HydrophobicContact CG2-CD2 4.37Å; F137-L143 HydrophobicContact CD1-CD1 4.2Å; F137-L143 HydrophobicContact CE1-CD1 4.01Å; H138-L143 HydrophobicContact CB-CB 4Å; H138-L143 PolarHBondContact O-N 2.99Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 HydrophobicContact CB-CD1 4.14Å; K141-L143 HydrophobicContact CB-CD2 4.02Å; K141-L143 HydrophobicContact CB-CG 3.77Å; K141-L143 VanDerWaalsContact O-CD2 3.32Å; K141-L143 WeakPolarHBondContact O-CD2 3.46Å; K141-L143 PolarHBondContact O-N 3.39Å | ||
| 144 | Q | 97.5 | Very high | 94.7 | Very high | 59 Ų | 59 | 41.6 Ų | 41.6 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 139.7 | 166.7 | -177.8 | 62.2 | 44.4 | 0 | 0 | 110 | I116 V117 L118 Y146 W162 | I116-Q144 PolarHBondContact O-N 2.75Å; V117-Q144 CarbonylContact C-O 3.55Å; V117-Q144 WeakPolarHBondContact CA-O 3.38Å; V117-Q144 HydrophobicContact CG2-CB 4.26Å; L118-Q144 PolarHBondContact N-O 3.26Å; Q144-Y146 HydrophobicContact CG-CD2 4.05Å; Q144-Y146 HydrophobicContact CG-CE1 4.43Å; Q144-Y146 HydrophobicContact CG-CE2 3.39Å; Q144-W162 HydrophobicContact CB-CD2 3.66Å; Q144-W162 VanDerWaalsContact CB-CE2 3.41Å; Q144-W162 HydrophobicContact CB-CE3 4.05Å; Q144-W162 HydrophobicContact CB-CG 4.15Å; Q144-W162 HydrophobicContact CB-CH2 3.98Å; Q144-W162 HydrophobicContact CB-CZ2 3.59Å; Q144-W162 HydrophobicContact CB-CZ3 4.19Å; Q144-W162 HydrophobicContact CG-CD2 3.92Å; Q144-W162 HydrophobicContact CG-CG 3.84Å; Q144-W162 HydrophobicContact CG-CZ2 4.49Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.14Å |
| 145 | Y | 98.1 | Very high | 94.7 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140.9 | 173.3 | 178.7 | -108.9 | 0 | 0 | 0 | 111.7 | F89 L118 I135 D147 I200 | F89-Y145 AromaticContact CE1-CE2 3.72Å; F89-Y145 HydrophobicContact CE1-CE2 3.72Å; F89-Y145 AromaticContact CZ-CE2 3.85Å; F89-Y145 HydrophobicContact CZ-CE2 3.85Å; L118-Y145 HydrophobicContact CB-CD2 4.13Å; L118-Y145 HydrophobicContact CD2-CD2 3.93Å; L118-Y145 HydrophobicContact CD2-CE2 4.46Å; L118-Y145 HydrophobicContact CG-CD2 3.89Å; L118-Y145 HydrophobicContact CG-CE2 4.35Å; L118-Y145 WeakPolarHBondContact O-CA 3.37Å; L118-Y145 VanDerWaalsContact O-CD2 3.3Å; L118-Y145 WeakPolarHBondContact O-CD2 3.45Å; I135-Y145 HydrophobicContact CD1-CE1 4.28Å; I135-Y145 HydrophobicContact CD1-CE2 4.38Å; I135-Y145 VanDerWaalsContact CD1-OH 3.31Å; I135-Y145 WeakPolarHBondContact CD1-OH 3.43Å; I135-Y145 HydrophobicContact CG2-CD1 4.49Å; I135-Y145 HydrophobicContact CG2-CD2 3.95Å; I135-Y145 HydrophobicContact CG2-CE1 4.37Å; I135-Y145 HydrophobicContact CG2-CE2 3.8Å; I135-Y145 HydrophobicContact CG2-CG 4.3Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.46Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.27Å; Y145-D147 PolarHBondContact OH-OD1 3Å; Y145-I200 HydrophobicContact CE1-CD1 4.14Å; Y145-I200 HydrophobicContact CE1-CG1 4.42Å |
| 146 | Y | 98.1 | Very high | 94.5 | Very high | 47 Ų | 47 | 39.2 Ų | 39.2 | 18% | 0.184 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 134.6 | 165.2 | -65.1 | -64.3 | 0 | 0 | 0 | 111.4 | V117 L118 C119 G120 Q144 K158 P159 W162 | V117-Y146 HydrophobicContact CG1-CD2 3.74Å; V117-Y146 HydrophobicContact CG1-CE2 4.26Å; L118-Y146 PolarHBondContact O-N 2.96Å; C119-Y146 WeakPolarHBondContact CA-O 3.18Å; G120-Y146 PolarHBondContact N-O 2.92Å; Q144-Y146 HydrophobicContact CG-CD2 4.05Å; Q144-Y146 HydrophobicContact CG-CE1 4.43Å; Q144-Y146 HydrophobicContact CG-CE2 3.39Å; Y146-K158 HydrophobicContact CD1-CB 3.96Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4Å; Y146-K158 HydrophobicContact CE1-CB 3.89Å; Y146-K158 HydrophobicContact CE1-CD 3.84Å; Y146-K158 HydrophobicContact CE1-CG 4.44Å; Y146-K158 HydrophobicContact CE2-CB 3.91Å; Y146-K158 WeakPolarHBondContact CE2-O 3.43Å; Y146-K158 HydrophobicContact CG-CB 4.03Å; Y146-P159 HydrophobicContact CD2-CG 4.07Å; Y146-W162 HydrophobicContact CE2-CB 4.05Å |
| 147 | D | 97.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 130.5 | 154.7 | -91.4 | 8.7 | 0 | 0 | 0 | 108.6 | V123 R128 Y145 Y154 N155 I200 | V123-D147 HydrophobicContact CG1-CB 3.84Å; R128-D147 IonicContact CZ-OD1 3.93Å; R128-D147 IonicContact CZ-OD2 2.59Å; R128-D147 IonicContact NH1-OD1 3.19Å; R128-D147 IonicContact NH1-OD2 3.56Å; R128-D147 PolarHBondContact NH1-OD2 3.49Å; R128-D147 IonicContact NH2-OD1 3.88Å; R128-D147 PolarHBondContact NH2-OD1 3.02Å; R128-D147 IonicContact NH2-OD2 2.8Å; R128-D147 PolarHBondContact NH2-OD2 2.98Å; Y145-D147 WeakPolarHBondContact CE1-OD1 3.46Å; Y145-D147 VanDerWaalsContact CZ-OD1 3.27Å; Y145-D147 PolarHBondContact OH-OD1 3Å; D147-Y154 HydrophobicContact CB-CE1 4.29Å; D147-N155 WeakPolarHBondContact O-CB 3.49Å; D147-N155 PolarHBondContact O-ND2 3.49Å; D147-I200 HydrophobicContact CB-CD1 3.98Å; D147-I200 WeakPolarHBondContact OD2-CD1 3.3Å |
| 148 | I | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -134.8 | 156.8 | 175.8 | 69.4 | 168.5 | 0 | 0 | 0 | 110.6 | F25 M88 C119 G120 N121 F122 V123 Y154 N155 P159 | F25-I148 HydrophobicContact CD2-CD1 3.89Å; F25-I148 HydrophobicContact CE2-CD1 4.06Å; M88-I148 HydrophobicContact CE-CD1 3.77Å; C119-I148 HydrophobicContact CB-CD1 3.81Å; C119-I148 HydrophobicContact CB-CG1 4.15Å; G120-I148 PolarHBondContact O-N 3.26Å; N121-I148 CarbonylContact C-O 3.59Å; N121-I148 VanDerWaalsContact CA-O 3.29Å; N121-I148 WeakPolarHBondContact CA-O 3.38Å; N121-I148 HydrophobicContact CB-CD1 4.25Å; N121-I148 HydrophobicContact CB-CG1 3.96Å; N121-I148 PolarHBondContact OD1-O 3.03Å; F122-I148 PolarHBondContact N-O 2.8Å; V123-I148 WeakPolarHBondContact CG2-O 2.88Å; V123-I148 PolarHBondContact N-O 2.89Å; I148-Y154 WeakPolarHBondContact CA-O 3.33Å; I148-N155 HydrophobicContact CG2-CB 4.16Å; I148-P159 HydrophobicContact CG2-CG 4.12Å | ||
| 149 | S | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -132.9 | 109.4 | 162.6 | 161.3 | 0 | 0 | 0 | 0 | 108.8 | D124 K151 S152 N153 Y154 | D124-S149 WeakPolarHBondContact CB-OG 3.48Å; D124-S149 WeakPolarHBondContact OD1-CB 3.12Å; D124-S149 PolarHBondContact OD1-OG 3.26Å; S149-K151 PolarHBondContact O-N 3.32Å; S149-S152 WeakPolarHBondContact CB-OG 3.41Å; S149-S152 PolarHBondContact O-N 3.24Å; S149-S152 PolarHBondContact OG-N 2.82Å; S149-S152 VanDerWaalsContact OG-N 3.17Å; S149-S152 PolarHBondContact OG-OG 3Å; S149-N153 WeakPolarHBondContact O-CA 3.49Å; S149-N153 PolarHBondContact O-N 2.86Å; S149-Y154 PolarHBondContact N-O 3.16Å; S149-Y154 VanDerWaalsContact N-O 3.09Å; S149-Y154 PolarHBondContact O-N 2.84Å |
| 150 | A | 92.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -42.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | T24 F25 R28 N121 S152 N153 | T24-A150 HydrophobicContact CG2-CB 4.1Å; F25-A150 HydrophobicContact CB-CB 4.44Å; R28-A150 WeakPolarHBondContact CD-O 3.4Å; R28-A150 PolarHBondContact NE-O 3.13Å; R28-A150 VanDerWaalsContact NE-O 3.09Å; R28-A150 PolarHBondContact NH1-O 3.18Å; N121-A150 PolarHBondContact OD1-N 3.08Å; A150-S152 PolarHBondContact O-N 2.84Å; A150-N153 PolarHBondContact O-N 2.69Å; A150-N153 PolarHBondContact O-OD1 3.4Å |
| 151 | K | 90 | Very high | 94.7 | Very high | 79 Ų | 79 | 34.9 Ų | 34.9 | 34% | 0.343 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -30.3 | -176.4 | -69.8 | -174.7 | 175 | 178.6 | 0 | 115 | R28 S149 P184 E185 V186 | R28-K151 VanDerWaalsContact CZ-O 3.27Å; R28-K151 PolarHBondContact NH1-O 2.91Å; R28-K151 PolarHBondContact NH2-O 2.84Å; R28-K151 VanDerWaalsContact NH2-O 3.14Å; S149-K151 PolarHBondContact O-N 3.32Å; K151-P184 CarbonylContact O-C 3.53Å; K151-P184 WeakPolarHBondContact O-CA 3.49Å; K151-E185 HydrophobicContact CB-CB 4.37Å; K151-E185 PolarHBondContact O-N 3.46Å; K151-V186 HydrophobicContact CB-CG2 3.75Å |
| 152 | S | 91 | Very high | 94.9 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 12% | 0.119 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -3.9 | 179.8 | 63.7 | 0 | 0 | 0 | 0 | 113.8 | S149 A150 Y154 V186 M188 | S149-S152 WeakPolarHBondContact CB-OG 3.41Å; S149-S152 PolarHBondContact O-N 3.24Å; S149-S152 PolarHBondContact OG-N 2.82Å; S149-S152 VanDerWaalsContact OG-N 3.17Å; S149-S152 PolarHBondContact OG-OG 3Å; A150-S152 PolarHBondContact O-N 2.84Å; S152-Y154 PolarHBondContact O-N 3.26Å; S152-Y154 VanDerWaalsContact OG-CB 3.29Å; S152-Y154 WeakPolarHBondContact OG-CB 3.36Å; S152-Y154 PolarHBondContact OG-N 3.47Å; S152-V186 VanDerWaalsContact CA-O 3.3Å; S152-V186 WeakPolarHBondContact CA-O 3.07Å; S152-V186 WeakPolarHBondContact CB-O 3.26Å; S152-M188 VanDerWaalsContact OG-CG 3.24Å; S152-M188 WeakPolarHBondContact OG-CG 3.49Å |
| 153 | N | 91.1 | Very high | 95.1 | Very high | 30 Ų | 30 | 24.7 Ų | 24.7 | 16% | 0.16 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 17 | -167.3 | -57.1 | -34.4 | 0 | 0 | 0 | 113.9 | R28 S149 A150 N155 F156 L181 A182 | R28-N153 VanDerWaalsContact NH1-CG 3.34Å; R28-N153 PolarHBondContact NH1-OD1 3.28Å; S149-N153 WeakPolarHBondContact O-CA 3.49Å; S149-N153 PolarHBondContact O-N 2.86Å; A150-N153 PolarHBondContact O-N 2.69Å; A150-N153 PolarHBondContact O-OD1 3.4Å; N153-N155 PolarHBondContact O-N 3.04Å; N153-F156 HydrophobicContact CB-CB 4.32Å; N153-F156 WeakPolarHBondContact O-CB 3.45Å; N153-F156 PolarHBondContact O-N 3.04Å; N153-L181 HydrophobicContact CB-CD1 4.15Å; N153-A182 PolarHBondContact ND2-O 3.16Å |
| 154 | Y | 94.2 | Very high | 95.1 | Very high | 29 Ų | 29 | 23.8 Ų | 23.8 | 11% | 0.114 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -65.4 | 125.5 | 177.3 | -179.9 | -108.7 | 0 | 0 | 0 | 111.3 | V123 D147 I148 S149 S152 F156 M188 V193 E197 | V123-Y154 HydrophobicContact CG2-CD1 3.67Å; V123-Y154 HydrophobicContact CG2-CE1 4.16Å; D147-Y154 HydrophobicContact CB-CE1 4.29Å; I148-Y154 WeakPolarHBondContact CA-O 3.33Å; S149-Y154 PolarHBondContact N-O 3.16Å; S149-Y154 VanDerWaalsContact N-O 3.09Å; S149-Y154 PolarHBondContact O-N 2.84Å; S152-Y154 PolarHBondContact O-N 3.26Å; S152-Y154 VanDerWaalsContact OG-CB 3.29Å; S152-Y154 WeakPolarHBondContact OG-CB 3.36Å; S152-Y154 PolarHBondContact OG-N 3.47Å; Y154-F156 PolarHBondContact O-N 3.38Å; Y154-F156 VanDerWaalsContact O-N 3.13Å; Y154-M188 HydrophobicContact CD1-CE 4.12Å; Y154-M188 HydrophobicContact CG-CE 4.22Å; Y154-M188 HydrophobicContact CG-CG 4.2Å; Y154-V193 HydrophobicContact CD2-CG1 4.49Å; Y154-V193 HydrophobicContact CD2-CG2 4.23Å; Y154-V193 HydrophobicContact CE2-CB 4.38Å; Y154-V193 HydrophobicContact CE2-CG1 3.52Å; Y154-V193 HydrophobicContact CE2-CG2 3.96Å; Y154-E197 PolarHBondContact OH-OE1 2.84Å |
| 155 | N | 94.2 | Very high | 95.2 | Very high | 18 Ų | 18 | 24.9 Ų | 24.9 | 10% | 0.096 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 24.2 | -177.6 | -68.7 | -23.2 | 0 | 0 | 0 | 114.6 | D147 I148 N153 E157 K158 P159 | D147-N155 WeakPolarHBondContact O-CB 3.49Å; D147-N155 PolarHBondContact O-ND2 3.49Å; I148-N155 HydrophobicContact CG2-CB 4.16Å; N153-N155 PolarHBondContact O-N 3.04Å; N155-E157 VanDerWaalsContact C-N 3.3Å; N155-E157 PolarHBondContact O-N 3.28Å; N155-K158 HydrophobicContact CB-CB 4.49Å; N155-K158 HydrophobicContact CB-CD 3.89Å; N155-K158 HydrophobicContact CB-CG 4.22Å; N155-K158 PolarHBondContact O-N 2.84Å; N155-K158 WeakPolarHBondContact OD1-CD 3.5Å; N155-K158 WeakPolarHBondContact OD1-CE 3.38Å; N155-K158 PolarHBondContact OD1-NZ 3.13Å; N155-P159 VanDerWaalsContact O-CD 3.24Å; N155-P159 WeakPolarHBondContact O-CD 3.29Å |
| 156 | F | 90.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -35.5 | -168.1 | -170.1 | -103.3 | 0 | 0 | 0 | 113.4 | F25 R28 H29 N153 Y154 L181 | F25-F156 AromaticContact CD2-CD2 3.68Å; F25-F156 HydrophobicContact CD2-CD2 3.68Å; F25-F156 AromaticContact CD2-CE2 3.41Å; F25-F156 HydrophobicContact CD2-CE2 3.41Å; F25-F156 VanDerWaalsContact CD2-CE2 3.41Å; F25-F156 HydrophobicContact CD2-CZ 4.22Å; F25-F156 AromaticContact CE2-CD2 3.69Å; F25-F156 HydrophobicContact CE2-CD2 3.69Å; F25-F156 AromaticContact CE2-CE2 3.76Å; F25-F156 HydrophobicContact CE2-CE2 3.76Å; F25-F156 HydrophobicContact CE2-CG 4.25Å; F25-F156 HydrophobicContact CE2-CZ 4.38Å; F25-F156 HydrophobicContact CG-CE2 4.16Å; F25-F156 WeakPolarHBondContact O-CZ 3.32Å; R28-F156 HydrophobicContact CB-CE1 4.49Å; R28-F156 HydrophobicContact CB-CE2 3.99Å; R28-F156 HydrophobicContact CB-CZ 3.55Å; H29-F156 AromaticContact CD2-CE1 3.58Å; H29-F156 AromaticContact CE1-CD1 3.52Å; H29-F156 AromaticContact CE1-CE1 2.88Å; H29-F156 WeakPolarHBondContact CE1-CE1 3.35Å; H29-F156 AromaticContact CE1-CZ 3.22Å; H29-F156 WeakPolarHBondContact CE1-CZ 3.48Å; H29-F156 AromaticContact CG-CE1 3.47Å; H29-F156 VanDerWaalsContact CG-CE1 3.47Å; H29-F156 AromaticContact CG-CZ 3.8Å; H29-F156 AromaticContact ND1-CE1 3.06Å; H29-F156 WeakPolarHBondContact ND1-CE1 3.34Å; H29-F156 AromaticContact ND1-CZ 3.06Å; H29-F156 WeakPolarHBondContact ND1-CZ 3.18Å; H29-F156 AromaticContact NE2-CD1 3.65Å; H29-F156 AromaticContact NE2-CE1 3.23Å; H29-F156 WeakPolarHBondContact NE2-CE1 3.36Å; N153-F156 HydrophobicContact CB-CB 4.32Å; N153-F156 WeakPolarHBondContact O-CB 3.45Å; N153-F156 PolarHBondContact O-N 3.04Å; Y154-F156 PolarHBondContact O-N 3.38Å; Y154-F156 VanDerWaalsContact O-N 3.13Å; F156-L181 HydrophobicContact CD1-CD1 3.69Å; F156-L181 HydrophobicContact CD1-CD2 3.7Å; F156-L181 HydrophobicContact CD1-CG 4.37Å; F156-L181 HydrophobicContact CE1-CD1 4.1Å; F156-L181 HydrophobicContact CE1-CD2 3.26Å; F156-L181 HydrophobicContact CE1-CG 4.31Å; F156-L181 HydrophobicContact CG-CD1 4.41Å; F156-L181 HydrophobicContact CZ-CD2 4.22Å |
| 157 | E | 91.7 | Very high | 95.1 | Very high | 59 Ų | 59 | 29.9 Ų | 29.9 | 28% | 0.276 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -21.6 | -180 | 74.1 | -68.3 | 160.9 | 0 | 0 | 114 | N155 S160 L161 F175 | N155-E157 VanDerWaalsContact C-N 3.3Å; N155-E157 PolarHBondContact O-N 3.28Å; E157-S160 PolarHBondContact O-N 2.87Å; E157-L161 WeakPolarHBondContact O-CB 3.5Å; E157-L161 PolarHBondContact O-N 3.32Å; E157-F175 HydrophobicContact CB-CD2 4.06Å; E157-F175 HydrophobicContact CB-CE2 4.1Å |
| 158 | K | 95.4 | Very high | 95 | Very high | 69 Ų | 69 | 33.2 Ų | 33.2 | 30% | 0.3 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.2 | -43.8 | -172.7 | -67.8 | -170.3 | 177.8 | 166.4 | 0 | 113.7 | Y146 N155 L161 W162 | Y146-K158 HydrophobicContact CD1-CB 3.96Å; Y146-K158 HydrophobicContact CD1-CD 3.88Å; Y146-K158 HydrophobicContact CD2-CB 4Å; Y146-K158 HydrophobicContact CE1-CB 3.89Å; Y146-K158 HydrophobicContact CE1-CD 3.84Å; Y146-K158 HydrophobicContact CE1-CG 4.44Å; Y146-K158 HydrophobicContact CE2-CB 3.91Å; Y146-K158 WeakPolarHBondContact CE2-O 3.43Å; Y146-K158 HydrophobicContact CG-CB 4.03Å; N155-K158 HydrophobicContact CB-CB 4.49Å; N155-K158 HydrophobicContact CB-CD 3.89Å; N155-K158 HydrophobicContact CB-CG 4.22Å; N155-K158 PolarHBondContact O-N 2.84Å; N155-K158 WeakPolarHBondContact OD1-CD 3.5Å; N155-K158 WeakPolarHBondContact OD1-CE 3.38Å; N155-K158 PolarHBondContact OD1-NZ 3.13Å; K158-L161 PolarHBondContact O-N 2.57Å; K158-W162 WeakPolarHBondContact O-CB 3.22Å; K158-W162 PolarHBondContact O-N 2.83Å |
| 159 | P | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.7 | -52.2 | 175.5 | -26 | 35.5 | 0 | 0 | 0 | 112 | I86 V117 C119 Y146 I148 N155 L161 W162 L163 | I86-P159 HydrophobicContact CD1-CB 3.84Å; I86-P159 HydrophobicContact CG1-CB 4.49Å; V117-P159 HydrophobicContact CB-CB 4.44Å; V117-P159 HydrophobicContact CG1-CB 3.97Å; V117-P159 HydrophobicContact CG1-CG 4.4Å; C119-P159 VanDerWaalsContact SG-CG 3.51Å; Y146-P159 HydrophobicContact CD2-CG 4.07Å; I148-P159 HydrophobicContact CG2-CG 4.12Å; N155-P159 VanDerWaalsContact O-CD 3.24Å; N155-P159 WeakPolarHBondContact O-CD 3.29Å; P159-L161 PolarHBondContact O-N 3.4Å; P159-W162 PolarHBondContact O-N 2.85Å; P159-L163 WeakPolarHBondContact O-CG 3.38Å; P159-L163 PolarHBondContact O-N 3.01Å |
| 160 | S | 95.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.7 | -47.4 | -179.5 | -57.9 | 0 | 0 | 0 | 0 | 111 | E157 W162 L163 V164 | E157-S160 PolarHBondContact O-N 2.87Å; S160-W162 PolarHBondContact O-N 3.17Å; S160-L163 PolarHBondContact O-N 3.3Å; S160-V164 WeakPolarHBondContact O-CG2 3.38Å; S160-V164 PolarHBondContact O-N 3.27Å |
| 161 | L | 96.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 42 Ų | 42 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | -179.7 | -178 | 59.3 | 0 | 0 | 0 | 112.2 | E157 K158 P159 V164 R165 L173 F175 | E157-L161 WeakPolarHBondContact O-CB 3.5Å; E157-L161 PolarHBondContact O-N 3.32Å; K158-L161 PolarHBondContact O-N 2.57Å; P159-L161 PolarHBondContact O-N 3.4Å; L161-V164 PolarHBondContact O-N 3.27Å; L161-R165 HydrophobicContact CD1-CG 4.48Å; L161-R165 VanDerWaalsContact O-CG 3.31Å; L161-R165 WeakPolarHBondContact O-CG 3.17Å; L161-R165 PolarHBondContact O-N 3.48Å; L161-L173 HydrophobicContact CD1-CD2 3.68Å; L161-F175 HydrophobicContact CB-CD2 4.25Å; L161-F175 HydrophobicContact CB-CE2 3.72Å; L161-F175 HydrophobicContact CB-CZ 3.95Å; L161-F175 HydrophobicContact CD1-CD1 4.1Å; L161-F175 HydrophobicContact CD1-CD2 4.37Å; L161-F175 HydrophobicContact CD1-CE1 4.07Å; L161-F175 HydrophobicContact CD1-CE2 4.35Å; L161-F175 HydrophobicContact CD1-CG 4.25Å; L161-F175 HydrophobicContact CD1-CZ 4.2Å |
| 162 | W | 98.2 | Very high | 95.6 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 17% | 0.167 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 178.2 | -175.2 | 97.5 | 0 | 0 | 0 | 112 | P115 V117 Q144 Y146 K158 P159 S160 V164 R165 K166 | P115-W162 HydrophobicContact CB-CH2 4.38Å; P115-W162 HydrophobicContact CB-CZ3 3.84Å; V117-W162 HydrophobicContact CG2-CD2 4.17Å; V117-W162 HydrophobicContact CG2-CE3 3.4Å; V117-W162 HydrophobicContact CG2-CZ3 3.86Å; Q144-W162 HydrophobicContact CB-CD2 3.66Å; Q144-W162 VanDerWaalsContact CB-CE2 3.41Å; Q144-W162 HydrophobicContact CB-CE3 4.05Å; Q144-W162 HydrophobicContact CB-CG 4.15Å; Q144-W162 HydrophobicContact CB-CH2 3.98Å; Q144-W162 HydrophobicContact CB-CZ2 3.59Å; Q144-W162 HydrophobicContact CB-CZ3 4.19Å; Q144-W162 HydrophobicContact CG-CD2 3.92Å; Q144-W162 HydrophobicContact CG-CG 3.84Å; Q144-W162 HydrophobicContact CG-CZ2 4.49Å; Q144-W162 VanDerWaalsContact OE1-NE1 3.14Å; Y146-W162 HydrophobicContact CE2-CB 4.05Å; K158-W162 WeakPolarHBondContact O-CB 3.22Å; K158-W162 PolarHBondContact O-N 2.83Å; P159-W162 PolarHBondContact O-N 2.85Å; S160-W162 PolarHBondContact O-N 3.17Å; W162-V164 VanDerWaalsContact C-N 3.33Å; W162-V164 PolarHBondContact O-N 3.47Å; W162-R165 PolarHBondContact O-N 2.99Å; W162-K166 HydrophobicContact CD2-CG 4Å; W162-K166 HydrophobicContact CE3-CG 3.97Å; W162-K166 HydrophobicContact CH2-CD 4.42Å; W162-K166 HydrophobicContact CH2-CG 3.79Å; W162-K166 HydrophobicContact CZ2-CD 4.17Å; W162-K166 HydrophobicContact CZ2-CG 3.79Å; W162-K166 HydrophobicContact CZ3-CG 3.88Å; W162-K166 WeakPolarHBondContact O-CG 3.09Å; W162-K166 PolarHBondContact O-N 3.49Å |
| 163 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 177.7 | -72.7 | 175.5 | 0 | 0 | 0 | 111.4 | L12 F60 C84 I86 P115 V117 P159 S160 K166 L167 | L12-L163 HydrophobicContact CD1-CD1 3.63Å; L12-L163 HydrophobicContact CG-CD1 4.34Å; F60-L163 HydrophobicContact CZ-CB 3.98Å; C84-L163 HydrophobicContact CB-CD1 4.34Å; C84-L163 HydrophobicContact CB-CD2 3.86Å; I86-L163 HydrophobicContact CD1-CD1 4.24Å; I86-L163 HydrophobicContact CG1-CD1 3.88Å; P115-L163 HydrophobicContact CB-CD2 3.84Å; P115-L163 WeakPolarHBondContact O-CD2 3.44Å; V117-L163 HydrophobicContact CG2-CD1 4.32Å; V117-L163 HydrophobicContact CG2-CD2 3.73Å; V117-L163 HydrophobicContact CG2-CG 3.71Å; P159-L163 WeakPolarHBondContact O-CG 3.38Å; P159-L163 PolarHBondContact O-N 3.01Å; S160-L163 PolarHBondContact O-N 3.3Å; L163-K166 PolarHBondContact O-N 2.73Å; L163-L167 WeakPolarHBondContact O-CB 3.06Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.49Å; L163-L167 PolarHBondContact O-N 3.49Å |
| 164 | V | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -44.7 | -179.5 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | I58 F60 S160 L161 W162 K166 L167 L168 L173 | I58-V164 HydrophobicContact CD1-CB 3.86Å; I58-V164 HydrophobicContact CD1-CG1 3.32Å; I58-V164 HydrophobicContact CD1-CG2 3.15Å; F60-V164 HydrophobicContact CE2-CG2 3.42Å; F60-V164 VanDerWaalsContact CE2-CG2 3.42Å; F60-V164 HydrophobicContact CZ-CG2 3.39Å; S160-V164 WeakPolarHBondContact O-CG2 3.38Å; S160-V164 PolarHBondContact O-N 3.27Å; L161-V164 PolarHBondContact O-N 3.27Å; W162-V164 VanDerWaalsContact C-N 3.33Å; W162-V164 PolarHBondContact O-N 3.47Å; V164-K166 PolarHBondContact O-N 3.5Å; V164-L167 PolarHBondContact O-N 3.46Å; V164-L168 HydrophobicContact CG1-CD1 3.89Å; V164-L168 HydrophobicContact CG1-CG 4.34Å; V164-L168 WeakPolarHBondContact O-CB 3.38Å; V164-L168 PolarHBondContact O-N 3.1Å; V164-L173 HydrophobicContact CB-CD2 4.26Å; V164-L173 HydrophobicContact CG1-CD1 3.53Å; V164-L173 HydrophobicContact CG1-CD2 3.58Å; V164-L173 HydrophobicContact CG1-CG 4.21Å |
| 165 | R | 98 | Very high | 96 | Very high | 81 Ų | 81 | 47.2 Ų | 47.2 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.4 | -41.2 | 174.9 | -72.9 | 173.9 | 171.4 | 174.9 | -5.3 | 111.3 | L161 W162 G169 D170 P171 L173 | L161-R165 HydrophobicContact CD1-CG 4.48Å; L161-R165 VanDerWaalsContact O-CG 3.31Å; L161-R165 WeakPolarHBondContact O-CG 3.17Å; L161-R165 PolarHBondContact O-N 3.48Å; W162-R165 PolarHBondContact O-N 2.99Å; R165-G169 WeakPolarHBondContact O-CA 3.24Å; R165-G169 PolarHBondContact O-N 2.85Å; R165-D170 WeakPolarHBondContact CG-O 3.3Å; R165-D170 PolarHBondContact O-N 3.14Å; R165-P171 PolarHBondContact NE-O 3.43Å; R165-L173 HydrophobicContact CG-CB 4.09Å; R165-L173 VanDerWaalsContact CZ-O 3.24Å; R165-L173 PolarHBondContact NE-O 3.26Å; R165-L173 PolarHBondContact NH2-O 2.98Å |
| 166 | K | 97.8 | Very high | 96 | Very high | 123 Ų | 123 | 51 Ų | 51 | 54% | 0.535 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.7 | -44.8 | 176.8 | -72.4 | -64.4 | -171.9 | 179.4 | 0 | 113 | P115 W162 L163 V164 G169 | P115-K166 HydrophobicContact CB-CB 3.91Å; P115-K166 HydrophobicContact CB-CG 4.46Å; P115-K166 HydrophobicContact CG-CB 3.84Å; W162-K166 HydrophobicContact CD2-CG 4Å; W162-K166 HydrophobicContact CE3-CG 3.97Å; W162-K166 HydrophobicContact CH2-CD 4.42Å; W162-K166 HydrophobicContact CH2-CG 3.79Å; W162-K166 HydrophobicContact CZ2-CD 4.17Å; W162-K166 HydrophobicContact CZ2-CG 3.79Å; W162-K166 HydrophobicContact CZ3-CG 3.88Å; W162-K166 WeakPolarHBondContact O-CG 3.09Å; W162-K166 PolarHBondContact O-N 3.49Å; L163-K166 PolarHBondContact O-N 2.73Å; V164-K166 PolarHBondContact O-N 3.5Å; K166-G169 PolarHBondContact O-N 2.92Å |
| 167 | L | 97 | Very high | 95.7 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | -179.2 | -74.1 | 166.6 | 0 | 0 | 0 | 112.7 | F10 F60 Q83 C84 P115 L163 V164 | F10-L167 HydrophobicContact CB-CD1 4.12Å; F10-L167 HydrophobicContact CD1-CB 4.47Å; F10-L167 HydrophobicContact CD1-CD1 3.94Å; F10-L167 HydrophobicContact CD1-CD2 4.09Å; F10-L167 HydrophobicContact CD1-CG 4.41Å; F10-L167 HydrophobicContact CD2-CD1 4.29Å; F10-L167 HydrophobicContact CE1-CB 4.2Å; F10-L167 HydrophobicContact CE1-CD1 4.47Å; F10-L167 HydrophobicContact CE1-CD2 4.37Å; F10-L167 HydrophobicContact CG-CD1 3.85Å; F10-L167 HydrophobicContact CZ-CB 4.39Å; F60-L167 HydrophobicContact CE1-CD1 3.63Å; F60-L167 HydrophobicContact CZ-CD1 4Å; Q83-L167 HydrophobicContact CB-CD2 4.36Å; Q83-L167 WeakPolarHBondContact O-CD2 3.16Å; C84-L167 HydrophobicContact CB-CD1 4.08Å; C84-L167 HydrophobicContact CB-CD2 4.43Å; P115-L167 HydrophobicContact CG-CD2 4.31Å; P115-L167 HydrophobicContact CG-CG 4.48Å; L163-L167 WeakPolarHBondContact O-CB 3.06Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.49Å; L163-L167 PolarHBondContact O-N 3.49Å; V164-L167 PolarHBondContact O-N 3.46Å |
| 168 | L | 96.1 | Very high | 94.8 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -94.1 | -7.8 | -178.8 | -60.9 | -175 | 0 | 0 | 0 | 113.7 | F10 I58 V164 D170 L173 | F10-L168 HydrophobicContact CE2-CD2 4.13Å; F10-L168 HydrophobicContact CZ-CD2 3.68Å; I58-L168 HydrophobicContact CG2-CD1 4.26Å; V164-L168 HydrophobicContact CG1-CD1 3.89Å; V164-L168 HydrophobicContact CG1-CG 4.34Å; V164-L168 WeakPolarHBondContact O-CB 3.38Å; V164-L168 PolarHBondContact O-N 3.1Å; L168-D170 PolarHBondContact O-N 2.81Å; L168-L173 HydrophobicContact CD1-CD1 3.6Å |
| 169 | G | 97.1 | Very high | 93.6 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 65% | 0.649 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 17.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R165 K166 P171 | R165-G169 WeakPolarHBondContact O-CA 3.24Å; R165-G169 PolarHBondContact O-N 2.85Å; K166-G169 PolarHBondContact O-N 2.92Å; G169-P171 WeakPolarHBondContact O-CD 3.18Å |
| 170 | D | 97.3 | Very high | 92.4 | Very high | 29 Ų | 29 | 59.9 Ų | 59.9 | 16% | 0.155 | 34% | 0.34 | C | S | . | . | trans | -110.4 | 100.3 | 179.6 | -173.6 | -5 | 0 | 0 | 0 | 110.6 | R55 R165 L168 N172 L173 | R55-D170 IonicContact CZ-OD2 3.41Å; R55-D170 VanDerWaalsContact CZ-OD2 3.25Å; R55-D170 IonicContact NE-OD2 2.87Å; R55-D170 PolarHBondContact NE-OD2 3.09Å; R55-D170 IonicContact NH2-OD1 2.69Å; R55-D170 IonicContact NH2-OD2 3.69Å; R55-D170 PolarHBondContact NH2-OD2 3.01Å; R165-D170 WeakPolarHBondContact CG-O 3.3Å; R165-D170 PolarHBondContact O-N 3.14Å; L168-D170 PolarHBondContact O-N 2.81Å; D170-N172 PolarHBondContact O-N 3.27Å; D170-N172 WeakPolarHBondContact OD1-CA 2.87Å; D170-N172 WeakPolarHBondContact OD1-CB 3.39Å; D170-N172 PolarHBondContact OD1-N 2.97Å; D170-L173 HydrophobicContact CB-CB 4.27Å; D170-L173 WeakPolarHBondContact O-CB 3.34Å; D170-L173 PolarHBondContact O-N 3.42Å; D170-L173 PolarHBondContact OD1-N 2.73Å | ||
| 171 | P | 96.4 | Very high | 91.3 | Very high | 92 Ų | 92 | 61.7 Ų | 61.7 | 60% | 0.597 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -18.5 | 177.5 | 28.2 | -34.5 | 0 | 0 | 0 | 113.5 | R165 G169 L173 | R165-P171 PolarHBondContact NE-O 3.43Å; G169-P171 WeakPolarHBondContact O-CD 3.18Å; P171-L173 VanDerWaalsContact C-N 3.33Å |
| 172 | N | 96.9 | Very high | 90.3 | Very high | 112 Ų | 112 | 60.4 Ų | 60.4 | 60% | 0.599 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 6.6 | -179.9 | -56.3 | -52.2 | 0 | 0 | 0 | 112.6 | N54 D170 | N54-N172 PolarHBondContact ND2-O 3.28Å; D170-N172 PolarHBondContact O-N 3.27Å; D170-N172 WeakPolarHBondContact OD1-CA 2.87Å; D170-N172 WeakPolarHBondContact OD1-CB 3.39Å; D170-N172 PolarHBondContact OD1-N 2.97Å |
| 173 | L | 96.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | trans | -66.3 | 135.3 | 173.4 | -175.1 | 147.8 | 0 | 0 | 0 | 110 | T53 N54 R55 L161 V164 R165 L168 D170 P171 F175 | T53-L173 HydrophobicContact CG2-CD1 4.24Å; T53-L173 HydrophobicContact CG2-CD2 3.88Å; T53-L173 HydrophobicContact CG2-CG 4.27Å; N54-L173 WeakPolarHBondContact OD1-CA 2.97Å; R55-L173 HydrophobicContact CB-CD1 4.45Å; R55-L173 HydrophobicContact CG-CD1 4.22Å; L161-L173 HydrophobicContact CD1-CD2 3.68Å; V164-L173 HydrophobicContact CB-CD2 4.26Å; V164-L173 HydrophobicContact CG1-CD1 3.53Å; V164-L173 HydrophobicContact CG1-CD2 3.58Å; V164-L173 HydrophobicContact CG1-CG 4.21Å; R165-L173 HydrophobicContact CG-CB 4.09Å; R165-L173 VanDerWaalsContact CZ-O 3.24Å; R165-L173 PolarHBondContact NE-O 3.26Å; R165-L173 PolarHBondContact NH2-O 2.98Å; L168-L173 HydrophobicContact CD1-CD1 3.6Å; D170-L173 HydrophobicContact CB-CB 4.27Å; D170-L173 WeakPolarHBondContact O-CB 3.34Å; D170-L173 PolarHBondContact O-N 3.42Å; D170-L173 PolarHBondContact OD1-N 2.73Å; P171-L173 VanDerWaalsContact C-N 3.33Å; L173-F175 HydrophobicContact CD2-CE1 4.46Å | ||
| 174 | E | 95.4 | Very high | 89 | Confident | 114 Ų | 114 | 66.5 Ų | 66.5 | 53% | 0.533 | 39% | 0.388 | S | S | . | . | trans | -135 | 149.5 | 179 | -66.9 | -177.6 | 170 | 0 | 0 | 110.2 | T53 N54 | T53-E174 CarbonylContact C-O 3.5Å; T53-E174 WeakPolarHBondContact CA-O 3.32Å; T53-E174 WeakPolarHBondContact CB-O 3.37Å; N54-E174 PolarHBondContact N-O 3.28Å; N54-E174 PolarHBondContact OD1-N 3.12Å; N54-E174 PolarHBondContact OD1-O 2.86Å | ||
| 175 | F | 93.7 | Very high | 88.4 | Confident | 39 Ų | 39 | 70.5 Ų | 70.5 | 17% | 0.171 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 123.6 | 167.5 | -64.3 | -27.1 | 0 | 0 | 0 | 109.5 | F51 H52 T53 I58 E157 L161 L173 | F51-F175 HydrophobicContact CB-CD1 4.11Å; F51-F175 HydrophobicContact CB-CE1 3.67Å; F51-F175 HydrophobicContact CB-CZ 4.09Å; F51-F175 HydrophobicContact CD1-CD1 4.5Å; F51-F175 HydrophobicContact CD1-CD2 4.25Å; F51-F175 AromaticContact CD1-CE1 3.96Å; F51-F175 HydrophobicContact CD1-CE1 3.96Å; F51-F175 AromaticContact CD1-CE2 3.66Å; F51-F175 HydrophobicContact CD1-CE2 3.66Å; F51-F175 AromaticContact CD1-CZ 3.49Å; F51-F175 HydrophobicContact CD1-CZ 3.49Å; F51-F175 VanDerWaalsContact CD1-CZ 3.49Å; F51-F175 HydrophobicContact CE1-CE2 4.09Å; F51-F175 HydrophobicContact CE1-CZ 4.13Å; F51-F175 HydrophobicContact CG-CE1 4.01Å; F51-F175 HydrophobicContact CG-CE2 4.49Å; F51-F175 AromaticContact CG-CZ 3.88Å; F51-F175 HydrophobicContact CG-CZ 3.88Å; H52-F175 CarbonylContact O-C 3.59Å; H52-F175 VanDerWaalsContact O-CA 3.3Å; H52-F175 WeakPolarHBondContact O-CA 3.49Å; T53-F175 HydrophobicContact CG2-CD1 3.99Å; T53-F175 HydrophobicContact CG2-CE1 4.13Å; I58-F175 HydrophobicContact CD1-CE1 4.29Å; E157-F175 HydrophobicContact CB-CD2 4.06Å; E157-F175 HydrophobicContact CB-CE2 4.1Å; L161-F175 HydrophobicContact CB-CD2 4.25Å; L161-F175 HydrophobicContact CB-CE2 3.72Å; L161-F175 HydrophobicContact CB-CZ 3.95Å; L161-F175 HydrophobicContact CD1-CD1 4.1Å; L161-F175 HydrophobicContact CD1-CD2 4.37Å; L161-F175 HydrophobicContact CD1-CE1 4.07Å; L161-F175 HydrophobicContact CD1-CE2 4.35Å; L161-F175 HydrophobicContact CD1-CG 4.25Å; L161-F175 HydrophobicContact CD1-CZ 4.2Å; L173-F175 HydrophobicContact CD2-CE1 4.46Å |
| 176 | V | 92.9 | Very high | 88 | Confident | 96 Ų | 96 | 69.2 Ų | 69.2 | 58% | 0.582 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -13.1 | -178.3 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | H52 N54 | H52-V176 HydrophobicContact CB-CG2 3.94Å; H52-V176 WeakPolarHBondContact O-CG2 3.39Å; H52-V176 PolarHBondContact O-N 3.44Å; N54-V176 HydrophobicContact CB-CG1 3.81Å |
| 177 | A | 83.9 | Confident | 87.6 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 40% | 0.397 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 136.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | H52 | H52-A177 HydrophobicContact CB-CB 4.26Å |
| 178 | M | 72.9 | Confident | 87.3 | Confident | 150 Ų | 150 | 71.3 Ų | 71.3 | 74% | 0.739 | 42% | 0.419 | S | S | * | . | trans | -67.1 | 142.2 | 167.5 | -68.1 | -167.7 | -175.5 | 0 | 0 | 108.8 | ||||
| 179 | P | 70.9 | Confident | 87 | Confident | 26 Ų | 26 | 71.1 Ų | 71.1 | 17% | 0.169 | 42% | 0.418 | C | S | . | . | trans | -53.9 | 153.2 | 165.6 | -16.1 | 27.8 | 0 | 0 | 0 | 109.4 | F51 L181 | F51-P179 HydrophobicContact CD1-CG 4.08Å; F51-P179 HydrophobicContact CE1-CG 3.96Å; P179-L181 HydrophobicContact CB-CD2 3.99Å; P179-L181 HydrophobicContact CG-CD2 4.39Å; P179-L181 WeakPolarHBondContact O-CG 3.3Å; P179-L181 PolarHBondContact O-N 2.79Å | ||
| 180 | A | 71.8 | Confident | 86.8 | Confident | 92 Ų | 92 | 73 Ų | 73 | 76% | 0.76 | 42% | 0.419 | S | S | * | . | trans | -67.2 | 86.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 181 | L | 73.6 | Confident | 86.5 | Confident | 42 Ų | 42 | 76.4 Ų | 76.4 | 22% | 0.22 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 149.2 | -179.1 | -60.1 | -174.2 | 0 | 0 | 0 | 110.9 | N153 F156 P179 | N153-L181 HydrophobicContact CB-CD1 4.15Å; F156-L181 HydrophobicContact CD1-CD1 3.69Å; F156-L181 HydrophobicContact CD1-CD2 3.7Å; F156-L181 HydrophobicContact CD1-CG 4.37Å; F156-L181 HydrophobicContact CE1-CD1 4.1Å; F156-L181 HydrophobicContact CE1-CD2 3.26Å; F156-L181 HydrophobicContact CE1-CG 4.31Å; F156-L181 HydrophobicContact CG-CD1 4.41Å; F156-L181 HydrophobicContact CZ-CD2 4.22Å; P179-L181 HydrophobicContact CB-CD2 3.99Å; P179-L181 HydrophobicContact CG-CD2 4.39Å; P179-L181 WeakPolarHBondContact O-CG 3.3Å; P179-L181 PolarHBondContact O-N 2.79Å |
| 182 | A | 75.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.008 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 140 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R28 G32 N153 | R28-A182 HydrophobicContact CG-CB 4.09Å; G32-A182 WeakPolarHBondContact O-CA 3.46Å; G32-A182 WeakPolarHBondContact O-CB 3.32Å; N153-A182 PolarHBondContact ND2-O 3.16Å |
| 183 | P | 83.3 | Confident | 86 | Confident | 104 Ų | 104 | 68.7 Ų | 68.7 | 68% | 0.675 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 144.4 | 165.8 | -25.5 | 34.6 | 0 | 0 | 0 | 110.9 | R28 E185 | R28-P183 PolarHBondContact NH2-O 3.18Å; P183-E185 PolarHBondContact O-N 3.49Å |
| 184 | P | 85.3 | Confident | 85.9 | Confident | 69 Ų | 69 | 70.7 Ų | 70.7 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 128.7 | 177.3 | 25.3 | -33.2 | 0 | 0 | 0 | 110.1 | K151 V186 | K151-P184 CarbonylContact O-C 3.53Å; K151-P184 WeakPolarHBondContact O-CA 3.49Å; P184-V186 VanDerWaalsContact C-N 3.26Å |
| 185 | E | 84.3 | Confident | 85.8 | Confident | 83 Ų | 83 | 70 Ų | 70 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -72.4 | -26.4 | 174.1 | -81.9 | 160.1 | -114.7 | 0 | 0 | 111.4 | R28 P34 K151 P183 | R28-E185 IonicContact CZ-OE1 3.72Å; R28-E185 IonicContact NE-OE1 3.41Å; R28-E185 PolarHBondContact NE-OE1 3.41Å; R28-E185 IonicContact NH2-OE1 2.82Å; R28-E185 PolarHBondContact NH2-OE1 2.87Å; P34-E185 HydrophobicContact CB-CG 4.35Å; P34-E185 WeakPolarHBondContact CB-OE1 3.07Å; P34-E185 HydrophobicContact CG-CG 4.42Å; K151-E185 HydrophobicContact CB-CB 4.37Å; K151-E185 PolarHBondContact O-N 3.46Å; P183-E185 PolarHBondContact O-N 3.49Å |
| 186 | V | 88.4 | Confident | 85.8 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 33% | 0.327 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -139.8 | 146.5 | 179.8 | -58.9 | 0 | 0 | 0 | 0 | 109.1 | D124 K151 S152 P184 | D124-V186 HydrophobicContact CB-CG2 3.74Å; K151-V186 HydrophobicContact CB-CG2 3.75Å; S152-V186 VanDerWaalsContact CA-O 3.3Å; S152-V186 WeakPolarHBondContact CA-O 3.07Å; S152-V186 WeakPolarHBondContact CB-O 3.26Å; P184-V186 VanDerWaalsContact C-N 3.26Å |
| 187 | Q | 90 | Very high | 85.7 | Confident | 184 Ų | 184 | 68.5 Ų | 68.5 | 86% | 0.86 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 132.8 | 171.8 | -67.4 | -176.9 | -9.7 | 0 | 0 | 109.4 | ||
| 188 | M | 90.1 | Very high | 86.2 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 14% | 0.138 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 133.7 | 168.9 | -71.8 | -70.7 | -70.9 | 0 | 0 | 109.4 | V123 D124 S152 Y154 P190 M192 V193 | V123-M188 HydrophobicContact CB-CE 4.36Å; V123-M188 HydrophobicContact CG2-CE 3.62Å; V123-M188 HydrophobicContact CG2-SD 4.17Å; D124-M188 WeakPolarHBondContact CA-SD 3.4Å; D124-M188 HydrophobicContact CB-SD 3.62Å; S152-M188 VanDerWaalsContact OG-CG 3.24Å; S152-M188 WeakPolarHBondContact OG-CG 3.49Å; Y154-M188 HydrophobicContact CD1-CE 4.12Å; Y154-M188 HydrophobicContact CG-CE 4.22Å; Y154-M188 HydrophobicContact CG-CG 4.2Å; M188-P190 WeakPolarHBondContact O-CD 3.37Å; M188-M192 HydrophobicContact CE-CE 3.5Å; M188-M192 VanDerWaalsContact CE-CE 3.5Å; M188-M192 HydrophobicContact SD-CE 3.81Å; M188-V193 HydrophobicContact CB-CG2 3.69Å; M188-V193 HydrophobicContact CE-CG2 3.71Å; M188-V193 HydrophobicContact CG-CG2 4.34Å |
| 189 | D | 90.9 | Very high | 87.2 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 119.4 | 169.4 | -177 | -24.1 | 0 | 0 | 0 | 109.3 | T191 M192 V193 | D189-T191 PolarHBondContact O-N 3.23Å; D189-T191 WeakPolarHBondContact OD1-CB 3.37Å; D189-T191 PolarHBondContact OD1-N 3.15Å; D189-T191 PolarHBondContact OD1-OG1 3.12Å; D189-T191 PolarHBondContact OD2-OG1 3.42Å; D189-M192 HydrophobicContact CB-CB 3.89Å; D189-M192 WeakPolarHBondContact O-CB 3.34Å; D189-M192 PolarHBondContact O-N 3.08Å; D189-V193 PolarHBondContact O-N 2.73Å |
| 190 | P | 91.5 | Very high | 88.2 | Confident | 103 Ų | 103 | 69.6 Ų | 69.6 | 67% | 0.669 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -57.2 | -31.2 | -179.2 | -25.9 | 35.3 | 0 | 0 | 0 | 113.7 | M188 V193 A194 | M188-P190 WeakPolarHBondContact O-CD 3.37Å; P190-V193 PolarHBondContact O-N 2.96Å; P190-A194 PolarHBondContact O-N 2.95Å |
| 191 | T | 92.5 | Very high | 89.2 | Confident | 99 Ų | 99 | 67.7 Ų | 67.7 | 61% | 0.607 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -69.1 | -39 | 177.2 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | D189 A194 Q195 | D189-T191 PolarHBondContact O-N 3.23Å; D189-T191 WeakPolarHBondContact OD1-CB 3.37Å; D189-T191 PolarHBondContact OD1-N 3.15Å; D189-T191 PolarHBondContact OD1-OG1 3.12Å; D189-T191 PolarHBondContact OD2-OG1 3.42Å; T191-A194 PolarHBondContact O-N 2.69Å; T191-Q195 WeakPolarHBondContact O-CB 3.44Å; T191-Q195 PolarHBondContact O-N 2.65Å |
| 192 | M | 90.8 | Very high | 90.1 | Very high | 19 Ų | 19 | 68.7 Ų | 68.7 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 175.8 | -172.2 | -179.1 | 69.6 | 0 | 0 | 111.6 | V123 M188 D189 Q195 Y196 | V123-M192 WeakPolarHBondContact O-CE 3.12Å; M188-M192 HydrophobicContact CE-CE 3.5Å; M188-M192 VanDerWaalsContact CE-CE 3.5Å; M188-M192 HydrophobicContact SD-CE 3.81Å; D189-M192 HydrophobicContact CB-CB 3.89Å; D189-M192 WeakPolarHBondContact O-CB 3.34Å; D189-M192 PolarHBondContact O-N 3.08Å; M192-Q195 PolarHBondContact O-N 2.65Å; M192-Y196 HydrophobicContact CE-CE2 3.96Å; M192-Y196 HydrophobicContact CG-CD2 4.04Å; M192-Y196 HydrophobicContact CG-CE1 4.2Å; M192-Y196 HydrophobicContact CG-CE2 3.38Å; M192-Y196 VanDerWaalsContact CG-CZ 3.47Å; M192-Y196 WeakPolarHBondContact O-CD2 3.02Å; M192-Y196 PolarHBondContact O-N 3.39Å; M192-Y196 HydrophobicContact SD-CE2 3.78Å; M192-Y196 PolarHBondContact SD-OH 2.78Å; M192-Y196 VanDerWaalsContact SD-OH 3.4Å |
| 193 | V | 92 | Very high | 90.8 | Very high | 24 Ų | 24 | 69.6 Ų | 69.6 | 15% | 0.145 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.2 | -52.2 | 173.7 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | Y154 M188 D189 P190 Q195 Y196 E197 | Y154-V193 HydrophobicContact CD2-CG1 4.49Å; Y154-V193 HydrophobicContact CD2-CG2 4.23Å; Y154-V193 HydrophobicContact CE2-CB 4.38Å; Y154-V193 HydrophobicContact CE2-CG1 3.52Å; Y154-V193 HydrophobicContact CE2-CG2 3.96Å; M188-V193 HydrophobicContact CB-CG2 3.69Å; M188-V193 HydrophobicContact CE-CG2 3.71Å; M188-V193 HydrophobicContact CG-CG2 4.34Å; D189-V193 PolarHBondContact O-N 2.73Å; P190-V193 PolarHBondContact O-N 2.96Å; V193-Q195 VanDerWaalsContact C-N 3.28Å; V193-Q195 PolarHBondContact O-N 3.14Å; V193-Y196 PolarHBondContact O-N 2.79Å; V193-E197 WeakPolarHBondContact O-CG 3.13Å; V193-E197 PolarHBondContact O-N 3.3Å |
| 194 | A | 93.4 | Very high | 91 | Very high | 42 Ų | 42 | 67.3 Ų | 67.3 | 35% | 0.347 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P190 T191 Q198 | P190-A194 PolarHBondContact O-N 2.95Å; T191-A194 PolarHBondContact O-N 2.69Å; A194-Q198 VanDerWaalsContact O-CG 3.28Å; A194-Q198 WeakPolarHBondContact O-CG 3.25Å; A194-Q198 PolarHBondContact O-N 3.09Å |
| 195 | Q | 94 | Very high | 91 | Very high | 100 Ų | 100 | 70.9 Ų | 70.9 | 47% | 0.467 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 175.3 | -178.1 | -178.9 | -8.7 | 0 | 0 | 111.9 | T191 M192 V193 E197 Q198 E199 | T191-Q195 WeakPolarHBondContact O-CB 3.44Å; T191-Q195 PolarHBondContact O-N 2.65Å; M192-Q195 PolarHBondContact O-N 2.65Å; V193-Q195 VanDerWaalsContact C-N 3.28Å; V193-Q195 PolarHBondContact O-N 3.14Å; Q195-E197 PolarHBondContact O-N 2.73Å; Q195-Q198 PolarHBondContact O-N 2.98Å; Q195-E199 HydrophobicContact CG-CG 4.42Å; Q195-E199 PolarHBondContact NE2-OE1 2.64Å; Q195-E199 WeakPolarHBondContact O-CG 3.35Å; Q195-E199 PolarHBondContact O-N 2.88Å |
| 196 | Y | 92.6 | Very high | 91.2 | Very high | 9 Ų | 9 | 69.1 Ų | 69.1 | 4% | 0.035 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 179.9 | -66.4 | -27.6 | 0 | 0 | 0 | 112.7 | V123 R128 M192 V193 Q198 E199 I200 | V123-Y196 HydrophobicContact CB-CD2 4.24Å; V123-Y196 HydrophobicContact CB-CE2 3.99Å; V123-Y196 WeakPolarHBondContact O-CE2 3.4Å; R128-Y196 VanDerWaalsContact NH1-CD1 3.31Å; M192-Y196 HydrophobicContact CE-CE2 3.96Å; M192-Y196 HydrophobicContact CG-CD2 4.04Å; M192-Y196 HydrophobicContact CG-CE1 4.2Å; M192-Y196 HydrophobicContact CG-CE2 3.38Å; M192-Y196 VanDerWaalsContact CG-CZ 3.47Å; M192-Y196 WeakPolarHBondContact O-CD2 3.02Å; M192-Y196 PolarHBondContact O-N 3.39Å; M192-Y196 HydrophobicContact SD-CE2 3.78Å; M192-Y196 PolarHBondContact SD-OH 2.78Å; M192-Y196 VanDerWaalsContact SD-OH 3.4Å; V193-Y196 PolarHBondContact O-N 2.79Å; Y196-Q198 VanDerWaalsContact C-N 3.34Å; Y196-Q198 PolarHBondContact O-N 2.94Å; Y196-E199 PolarHBondContact O-N 3.46Å; Y196-I200 WeakPolarHBondContact O-CB 3.46Å; Y196-I200 VanDerWaalsContact O-CG1 3.29Å; Y196-I200 WeakPolarHBondContact O-CG1 3.48Å; Y196-I200 PolarHBondContact O-N 2.99Å |
| 197 | E | 92.5 | Very high | 90.9 | Very high | 93 Ų | 93 | 75.5 Ų | 75.5 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 175.7 | -71.5 | 177.3 | 177.7 | 0 | 0 | 111.7 | Y154 V193 Q195 A201 | Y154-E197 PolarHBondContact OH-OE1 2.84Å; V193-E197 WeakPolarHBondContact O-CG 3.13Å; V193-E197 PolarHBondContact O-N 3.3Å; Q195-E197 PolarHBondContact O-N 2.73Å; E197-A201 WeakPolarHBondContact O-CB 3.32Å; E197-A201 PolarHBondContact O-N 2.97Å |
| 198 | Q | 94.4 | Very high | 90.5 | Very high | 140 Ų | 140 | 69.8 Ų | 69.8 | 65% | 0.654 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 173.3 | -72.3 | 174.7 | 4.9 | 0 | 0 | 112.2 | A194 Q195 Y196 I200 A201 A202 | A194-Q198 VanDerWaalsContact O-CG 3.28Å; A194-Q198 WeakPolarHBondContact O-CG 3.25Å; A194-Q198 PolarHBondContact O-N 3.09Å; Q195-Q198 PolarHBondContact O-N 2.98Å; Y196-Q198 VanDerWaalsContact C-N 3.34Å; Y196-Q198 PolarHBondContact O-N 2.94Å; Q198-I200 PolarHBondContact O-N 3.1Å; Q198-A201 PolarHBondContact O-N 3.22Å; Q198-A202 WeakPolarHBondContact O-CB 3.24Å; Q198-A202 PolarHBondContact O-N 3.11Å |
| 199 | E | 93.5 | Very high | 89.9 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 178.5 | -74.6 | -179.5 | -169 | 0 | 0 | 112 | A132 Q195 Y196 A203 | A132-E199 HydrophobicContact CB-CB 3.83Å; A132-E199 WeakPolarHBondContact CB-O 3.31Å; Q195-E199 HydrophobicContact CG-CG 4.42Å; Q195-E199 PolarHBondContact NE2-OE1 2.64Å; Q195-E199 WeakPolarHBondContact O-CG 3.35Å; Q195-E199 PolarHBondContact O-N 2.88Å; Y196-E199 PolarHBondContact O-N 3.46Å; E199-A203 VanDerWaalsContact O-CB 3.31Å; E199-A203 WeakPolarHBondContact O-CB 3.39Å; E199-A203 PolarHBondContact O-N 3.41Å |
| 200 | I | 91.7 | Very high | 88.9 | Confident | 50 Ų | 50 | 76.1 Ų | 76.1 | 26% | 0.256 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 175 | -70.7 | 168.5 | 0 | 0 | 0 | 110.8 | A132 Y145 D147 Y196 Q198 A202 A203 A204 | A132-I200 HydrophobicContact CB-CG1 4.03Å; Y145-I200 HydrophobicContact CE1-CD1 4.14Å; Y145-I200 HydrophobicContact CE1-CG1 4.42Å; D147-I200 HydrophobicContact CB-CD1 3.98Å; D147-I200 WeakPolarHBondContact OD2-CD1 3.3Å; Y196-I200 WeakPolarHBondContact O-CB 3.46Å; Y196-I200 VanDerWaalsContact O-CG1 3.29Å; Y196-I200 WeakPolarHBondContact O-CG1 3.48Å; Y196-I200 PolarHBondContact O-N 2.99Å; Q198-I200 PolarHBondContact O-N 3.1Å; I200-A202 VanDerWaalsContact C-N 3.31Å; I200-A202 PolarHBondContact O-N 3.43Å; I200-A203 PolarHBondContact O-N 3.06Å; I200-A204 WeakPolarHBondContact O-CB 3.41Å; I200-A204 PolarHBondContact O-N 3.08Å |
| 201 | A | 92.1 | Very high | 87.4 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 44% | 0.438 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E197 Q198 N205 | E197-A201 WeakPolarHBondContact O-CB 3.32Å; E197-A201 PolarHBondContact O-N 2.97Å; Q198-A201 PolarHBondContact O-N 3.22Å; A201-N205 PolarHBondContact O-ND2 2.84Å |
| 202 | A | 93.1 | Very high | 85.3 | Confident | 63 Ų | 63 | 79.5 Ų | 79.5 | 52% | 0.521 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q198 I200 A204 N205 A206 | Q198-A202 WeakPolarHBondContact O-CB 3.24Å; Q198-A202 PolarHBondContact O-N 3.11Å; I200-A202 VanDerWaalsContact C-N 3.31Å; I200-A202 PolarHBondContact O-N 3.43Å; A202-A204 VanDerWaalsContact C-N 3.32Å; A202-A204 PolarHBondContact O-N 2.82Å; A202-N205 PolarHBondContact O-N 3.19Å; A202-A206 PolarHBondContact O-N 3.01Å; A202-A206 VanDerWaalsContact O-N 3.14Å |
| 203 | A | 90.4 | Very high | 83.2 | Confident | 20 Ų | 20 | 86.9 Ų | 86.9 | 17% | 0.165 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -66.7 | -30.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A132 R139 E199 I200 N205 A206 | A132-A203 HydrophobicContact CB-CB 4.06Å; R139-A203 PolarHBondContact NH1-O 3.23Å; R139-A203 VanDerWaalsContact NH1-O 3.1Å; E199-A203 VanDerWaalsContact O-CB 3.31Å; E199-A203 WeakPolarHBondContact O-CB 3.39Å; E199-A203 PolarHBondContact O-N 3.41Å; I200-A203 PolarHBondContact O-N 3.06Å; A203-N205 VanDerWaalsContact C-N 3.26Å; A203-N205 PolarHBondContact O-N 3Å; A203-A206 PolarHBondContact O-N 3.09Å |
| 204 | A | 87.6 | Confident | 80.8 | Confident | 56 Ų | 56 | 93.6 Ų | 93.6 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -31.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | I200 A202 | I200-A204 WeakPolarHBondContact O-CB 3.41Å; I200-A204 PolarHBondContact O-N 3.08Å; A202-A204 VanDerWaalsContact C-N 3.32Å; A202-A204 PolarHBondContact O-N 2.82Å |
| 205 | N | 85.7 | Confident | 78.4 | Confident | 143 Ų | 143 | 98 Ų | 98 | 77% | 0.765 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -93.8 | -10.6 | 179.8 | -66.8 | -54.1 | 0 | 0 | 0 | 113.8 | A201 A202 A203 | A201-N205 PolarHBondContact O-ND2 2.84Å; A202-N205 PolarHBondContact O-N 3.19Å; A203-N205 VanDerWaalsContact C-N 3.26Å; A203-N205 PolarHBondContact O-N 3Å |
| 206 | A | 87.1 | Confident | 77.7 | Confident | 46 Ų | 46 | 97.9 Ų | 97.9 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -72.8 | 151 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R139 A202 A203 | R139-A206 VanDerWaalsContact CZ-O 3.23Å; R139-A206 PolarHBondContact NH1-O 3.5Å; R139-A206 PolarHBondContact NH2-O 3.45Å; A202-A206 PolarHBondContact O-N 3.01Å; A202-A206 VanDerWaalsContact O-N 3.14Å; A203-A206 PolarHBondContact O-N 3.09Å |
| 207 | E | 84.1 | Confident | 76.9 | Confident | 188 Ų | 188 | 102.6 Ų | 102.6 | 88% | 0.879 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 143.7 | 169.7 | -68.7 | 179 | 169.4 | 0 | 0 | 110.3 | ||
| 208 | L | 80.9 | Confident | 76 | Confident | 64 Ų | 64 | 103.1 Ų | 103.1 | 34% | 0.335 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 137.7 | 172.9 | -73 | 172 | 0 | 0 | 0 | 107.9 | T136 R139 K140 D210 | T136-L208 HydrophobicContact CG2-CD2 4.03Å; R139-L208 HydrophobicContact CB-CD1 4.26Å; R139-L208 HydrophobicContact CB-CD2 3.99Å; R139-L208 HydrophobicContact CG-CD2 4.48Å; K140-L208 HydrophobicContact CG-CD1 4.49Å; L208-D210 PolarHBondContact O-N 3.39Å |
| 209 | P | 77.2 | Confident | 74.9 | Confident | 80 Ų | 80 | 100.9 Ų | 100.9 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 136.8 | 171 | -19.4 | 30 | 0 | 0 | 0 | 109.7 | D211 | P209-D211 PolarHBondContact O-N 3.25Š|
| 210 | D | 69.1 | Low | 73.8 | Confident | 149 Ų | 149 | 103.7 Ų | 103.7 | 80% | 0.797 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 137.7 | 172 | -69.9 | -38.6 | 0 | 0 | 0 | 109.5 | L208 D212 | L208-D210 PolarHBondContact O-N 3.39Å; D210-D212 PolarHBondContact O-N 3.17Å |
| 211 | D | 59.9 | Low | 72.6 | Confident | 116 Ų | 116 | 107.3 Ų | 107.3 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -68.9 | 29.6 | -165.1 | -84.6 | -34.2 | 0 | 0 | 0 | 115.5 | K140 P209 | K140-D211 WeakPolarHBondContact CE-OD1 2.96Å; K140-D211 IonicContact NZ-OD1 2.65Å; K140-D211 PolarHBondContact NZ-OD1 2.57Å; P209-D211 PolarHBondContact O-N 3.25Å |
| 212 | D | 50.1 | Low | 71.2 | Confident | 158 Ų | 158 | 111.1 Ų | 111.1 | 85% | 0.845 | 62% | 0.62 | S | S | * | * | trans | -89.6 | 3.6 | -177 | -75.7 | -23.1 | 0 | 0 | 0 | 114.8 | D210 | D210-D212 PolarHBondContact O-N 3.17Š| ||
| 213 | E | 46.1 | Very low | 69.5 | Low | 173 Ų | 173 | 114.8 Ų | 114.8 | 81% | 0.808 | 63% | 0.628 | S | S | * | * | trans | -120.9 | 87.7 | 167.5 | -72.3 | -170.8 | 175.8 | 0 | 0 | 110.2 | L215 | E213-L215 PolarHBondContact O-N 3.35Š| ||
| 214 | D | 40.7 | Very low | 67.8 | Low | 166 Ų | 166 | 122.8 Ų | 122.8 | 89% | 0.888 | 67% | 0.667 | S | S | * | * | trans | -52.8 | 103.7 | 159.8 | -79.6 | -38.2 | 0 | 0 | 0 | 109 | ||||
| 215 | L | 44.6 | Very low | 65.9 | Low | 134 Ų | 134 | 128.8 Ų | 128.8 | 70% | 0.702 | 69% | 0.685 | S | S | * | * | trans | -71.9 | 0 | 166.6 | -86.7 | 167.2 | 0 | 0 | 0 | 111.3 | K98 E213 | K98-L215 WeakPolarHBondContact CE-OXT 3.3Å; K98-L215 HydrophobicContact CG-CD2 4.4Å; E213-L215 PolarHBondContact O-N 3.35Å |
Retrieved 215 of 215 residues in 68.3 ms
(Link to these results)