| 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 | 35.6 | Very low | 82.9 | Confident | 240 Ų | 240 | 75.8 Ų | 75.8 | 100% | 1.182 | 40% | 0.404 | S | S | * | . | 0 | 108.7 | 0 | -66.8 | 179.9 | -76.3 | 0 | 0 | 105.9 | E3 | M1-E3 PolarHBondContact O-N 3.33Š| |||
| 2 | S | 46.5 | Very low | 84.2 | Confident | 121 Ų | 121 | 70.8 Ų | 70.8 | 85% | 0.846 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 121.2 | 171.4 | 57.1 | 0 | 0 | 0 | 0 | 106.8 | S4 | S2-S4 PolarHBondContact O-N 3.44Š|
| 3 | E | 60.4 | Low | 85.3 | Confident | 178 Ų | 178 | 65.3 Ų | 65.3 | 83% | 0.832 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 134.6 | 168.6 | -73.3 | 179.3 | 154.4 | 0 | 0 | 108.4 | M1 I5 | M1-E3 PolarHBondContact O-N 3.33Å; E3-I5 PolarHBondContact O-N 3.09Å |
| 4 | S | 84.9 | Confident | 86.2 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 122.5 | 178 | 47.7 | 0 | 0 | 0 | 0 | 108.6 | S2 K6 | S2-S4 PolarHBondContact O-N 3.44Å; S4-K6 PolarHBondContact O-N 3.23Å |
| 5 | I | 94.6 | Very high | 87 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 19% | 0.185 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 125.9 | 174.9 | -71.8 | 163.5 | 0 | 0 | 0 | 108.1 | E3 V8 Y31 D71 A72 K107 L191 | E3-I5 PolarHBondContact O-N 3.09Å; I5-V8 HydrophobicContact CG2-CG2 3.7Å; I5-Y31 HydrophobicContact CB-CE1 4.24Å; I5-Y31 HydrophobicContact CG2-CD1 4.14Å; I5-Y31 HydrophobicContact CG2-CE1 3.72Å; I5-Y31 VanDerWaalsContact O-CE1 3.27Å; I5-Y31 WeakPolarHBondContact O-CE1 2.86Å; I5-D71 HydrophobicContact CB-CB 4.32Å; I5-D71 HydrophobicContact CG1-CB 4.1Å; I5-D71 HydrophobicContact CG2-CB 4.17Å; I5-A72 HydrophobicContact CD1-CB 3.83Å; I5-A72 HydrophobicContact CG1-CB 4.18Å; I5-A72 HydrophobicContact CG2-CB 3.83Å; I5-K107 HydrophobicContact CD1-CB 4.12Å; I5-K107 HydrophobicContact CD1-CG 3.95Å; I5-L191 WeakPolarHBondContact CD1-O 3.33Å; I5-L191 HydrophobicContact CG2-CD2 4.37Å |
| 6 | K | 96.3 | Very high | 87.6 | Confident | 120 Ų | 120 | 62.3 Ų | 62.3 | 52% | 0.522 | 34% | 0.343 | S | S | . | . | trans | -126.5 | -36.8 | 176.9 | -70.2 | 176.8 | -175.3 | 177.9 | 0 | 111.6 | S4 Y31 S32 D71 | S4-K6 PolarHBondContact O-N 3.23Å; K6-Y31 CarbonylContact O-C 3.53Å; K6-Y31 VanDerWaalsContact O-CA 3.22Å; K6-Y31 WeakPolarHBondContact O-CA 3.5Å; K6-S32 PolarHBondContact O-N 2.85Å; K6-D71 WeakPolarHBondContact CA-OD2 3.47Å; K6-D71 PolarHBondContact N-OD2 2.85Å | ||
| 7 | N | 98.3 | Very high | 88.2 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.4 | -179.5 | -60.2 | -51 | 0 | 0 | 0 | 110 | S32 G69 D71 A72 | N7-S32 WeakPolarHBondContact CA-O 3.23Å; N7-S32 WeakPolarHBondContact OD1-CB 3.31Å; N7-G69 WeakPolarHBondContact CB-O 3.39Å; N7-G69 PolarHBondContact ND2-O 3.31Å; N7-D71 PolarHBondContact N-OD2 3.46Å; N7-D71 PolarHBondContact O-N 3.04Å; N7-A72 PolarHBondContact O-N 3.42Å |
| 8 | V | 98.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 127.5 | -175.4 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | I5 I10 Y31 S32 V33 T34 Q70 A72 I74 L191 | I5-V8 HydrophobicContact CG2-CG2 3.7Å; V8-I10 HydrophobicContact CG1-CG1 4.42Å; V8-Y31 HydrophobicContact CG2-CD1 3.74Å; V8-Y31 HydrophobicContact CG2-CE1 4.31Å; V8-Y31 HydrophobicContact CG2-CG 4.14Å; V8-S32 PolarHBondContact N-O 3.27Å; V8-V33 CarbonylContact O-C 3.57Å; V8-V33 WeakPolarHBondContact O-CA 3.37Å; V8-T34 PolarHBondContact O-N 3.44Å; V8-Q70 PolarHBondContact O-OE1 3.32Å; V8-A72 WeakPolarHBondContact CA-O 3.45Å; V8-I74 HydrophobicContact CG1-CD1 4.09Å; V8-I74 HydrophobicContact CG1-CG1 4.14Å; V8-L191 HydrophobicContact CG1-CD1 4.17Å; V8-L191 HydrophobicContact CG1-CD2 4.14Å; V8-L191 HydrophobicContact CG2-CD1 3.83Å; V8-L191 HydrophobicContact CG2-CD2 4.19Å |
| 9 | A | 98.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F11 T34 T66 L67 Q70 A72 V73 I74 | A9-F11 HydrophobicContact CB-CE2 4.03Å; A9-T34 CarbonylContact C-O 3.57Å; A9-T34 VanDerWaalsContact CA-O 3.28Å; A9-T34 WeakPolarHBondContact CA-O 3.39Å; A9-T66 HydrophobicContact CB-CG2 4.14Å; A9-L67 HydrophobicContact CB-CD2 3.75Å; A9-Q70 HydrophobicContact CB-CG 4.06Å; A9-A72 PolarHBondContact N-O 3.47Å; A9-V73 HydrophobicContact CB-CG2 4.46Å; A9-V73 CarbonylContact O-C 3.54Å; A9-V73 WeakPolarHBondContact O-CA 3.46Å; A9-I74 PolarHBondContact O-N 2.9Å |
| 10 | I | 98.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 117.6 | 171.9 | -52.6 | -178.9 | 0 | 0 | 0 | 109.8 | V8 A13 T21 L22 A25 V33 T34 V35 L36 I74 I76 | V8-I10 HydrophobicContact CG1-CG1 4.42Å; I10-A13 HydrophobicContact CB-CB 4.49Å; I10-A13 HydrophobicContact CG2-CB 4.1Å; I10-T21 HydrophobicContact CD1-CG2 4.33Å; I10-L22 HydrophobicContact CD1-CD1 4.39Å; I10-A25 HydrophobicContact CD1-CB 4Å; I10-V33 HydrophobicContact CD1-CG1 3.65Å; I10-V33 HydrophobicContact CG1-CG1 3.82Å; I10-T34 PolarHBondContact N-O 3.47Å; I10-V35 HydrophobicContact CB-CG1 4.3Å; I10-L36 PolarHBondContact O-N 3.15Å; I10-I74 WeakPolarHBondContact CA-O 3.33Å; I10-I74 HydrophobicContact CG1-CB 4.28Å; I10-I74 HydrophobicContact CG1-CD1 4.41Å; I10-I76 HydrophobicContact CG2-CD1 4.38Å |
| 11 | F | 98.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 135.2 | 169.4 | -64.2 | -93.9 | 0 | 0 | 0 | 109.5 | A9 L36 V57 V63 T66 L67 V73 I74 I76 L77 I96 | A9-F11 HydrophobicContact CB-CE2 4.03Å; F11-L36 HydrophobicContact CD1-CB 3.89Å; F11-L36 HydrophobicContact CD1-CD2 3.82Å; F11-L36 HydrophobicContact CD1-CG 4.44Å; F11-L36 HydrophobicContact CE1-CB 3.89Å; F11-L36 HydrophobicContact CE1-CD2 3.55Å; F11-L36 HydrophobicContact CE1-CG 4.36Å; F11-V57 HydrophobicContact CD1-CG2 3.83Å; F11-V57 HydrophobicContact CE1-CG2 4.21Å; F11-V63 HydrophobicContact CE1-CG1 4.45Å; F11-V63 HydrophobicContact CE1-CG2 4.22Å; F11-V63 HydrophobicContact CZ-CG1 4.24Å; F11-T66 HydrophobicContact CE1-CG2 4.05Å; F11-T66 HydrophobicContact CE2-CG2 4.34Å; F11-T66 HydrophobicContact CZ-CG2 3.72Å; F11-L67 HydrophobicContact CE2-CD2 4.02Å; F11-L67 HydrophobicContact CZ-CD2 4.21Å; F11-L67 HydrophobicContact CZ-CG 4.26Å; F11-V73 HydrophobicContact CD2-CG1 3.64Å; F11-V73 HydrophobicContact CE2-CG1 3.64Å; F11-I74 PolarHBondContact N-O 3.26Å; F11-I76 CarbonylContact O-C 3.5Å; F11-I76 WeakPolarHBondContact O-CA 3.28Å; F11-I76 PolarHBondContact O-N 3.05Å; F11-L77 HydrophobicContact CB-CD2 4.02Å; F11-L77 HydrophobicContact CB-CG 4.28Å; F11-I96 HydrophobicContact CB-CD1 4.18Å; F11-I96 HydrophobicContact CD1-CD1 3.76Å; F11-I96 HydrophobicContact CD1-CG1 4.22Å; F11-I96 HydrophobicContact CD2-CD1 3.61Å; F11-I96 HydrophobicContact CD2-CG1 4.17Å; F11-I96 HydrophobicContact CE1-CD1 3.99Å; F11-I96 HydrophobicContact CE1-CG1 3.92Å; F11-I96 HydrophobicContact CE2-CD1 3.87Å; F11-I96 HydrophobicContact CE2-CG1 3.87Å; F11-I96 HydrophobicContact CE2-CG2 4.28Å; F11-I96 HydrophobicContact CG-CD1 3.56Å; F11-I96 HydrophobicContact CG-CG1 4.34Å; F11-I96 HydrophobicContact CZ-CD1 4.05Å; F11-I96 HydrophobicContact CZ-CG1 3.74Å |
| 12 | G | 98.4 | Very high | 93.1 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 20.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T14 G15 I76 | G12-T14 PolarHBondContact O-N 2.99Å; G12-T14 VanDerWaalsContact O-N 3.07Å; G12-G15 PolarHBondContact O-N 3.02Å; G12-I76 WeakPolarHBondContact CA-O 3.3Å |
| 13 | A | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | I10 G18 L19 V35 | I10-A13 HydrophobicContact CB-CB 4.49Å; I10-A13 HydrophobicContact CG2-CB 4.1Å; A13-G18 CarbonylContact O-C 3.6Å; A13-L19 PolarHBondContact O-N 3.44Å; A13-L19 VanDerWaalsContact O-N 3.08Å; A13-V35 HydrophobicContact CB-CB 3.87Å; A13-V35 HydrophobicContact CB-CG1 3.58Å |
| 14 | T | 98.3 | Very high | 97.3 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 15% | 0.147 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 3.4 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | G12 V37 K42 L43 R80 | G12-T14 PolarHBondContact O-N 2.99Å; G12-T14 VanDerWaalsContact O-N 3.07Å; T14-V37 HydrophobicContact CG2-CB 4.28Å; T14-V37 HydrophobicContact CG2-CG1 3.67Å; T14-K42 HydrophobicContact CG2-CB 3.84Å; T14-L43 HydrophobicContact CG2-CD2 3.75Å; T14-L43 HydrophobicContact CG2-CG 3.92Å; T14-R80 PolarHBondContact O-NH2 3.22Å |
| 15 | G | 97.6 | Very high | 97.9 | Very high | 23 Ų | 23 | 26.8 Ų | 26.8 | 24% | 0.237 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -79.9 | 169.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G12 T17 G18 L19 | G12-G15 PolarHBondContact O-N 3.02Å; G15-T17 PolarHBondContact O-N 3.12Å; G15-G18 PolarHBondContact O-N 3.42Å; G15-G18 VanDerWaalsContact O-N 3.11Å; G15-L19 WeakPolarHBondContact O-CB 3.44Å; G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 2.97Å |
| 16 | M | 97.4 | Very high | 98 | Very high | 101 Ų | 101 | 27 Ų | 27 | 50% | 0.498 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -52.3 | -50.9 | -178.7 | -174.2 | -166.1 | -52.1 | 0 | 0 | 112.7 | K180 | M16-K180 HydrophobicContact CG-CB 4.48Å; M16-K180 HydrophobicContact CG-CD 3.79Å |
| 17 | T | 98.4 | Very high | 97.9 | Very high | 11 Ų | 11 | 25.3 Ų | 25.3 | 7% | 0.067 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -75.7 | -33.7 | 177.3 | -45.6 | 0 | 0 | 0 | 0 | 112 | G15 L19 A20 T21 I76 L183 F187 | G15-T17 PolarHBondContact O-N 3.12Å; T17-L19 PolarHBondContact O-N 2.72Å; T17-A20 CarbonylContact O-C 3.54Å; T17-A20 PolarHBondContact O-N 3.03Å; T17-A20 VanDerWaalsContact O-N 3.15Å; T17-T21 WeakPolarHBondContact O-CB 3.4Å; T17-T21 PolarHBondContact O-N 3.28Å; T17-T21 PolarHBondContact O-OG1 3.39Å; T17-I76 HydrophobicContact CG2-CG2 4.31Å; T17-L183 HydrophobicContact CG2-CB 4.2Å; T17-L183 HydrophobicContact CG2-CD2 3.79Å; T17-L183 HydrophobicContact CG2-CG 3.92Å; T17-F187 HydrophobicContact CG2-CD2 4.44Å; T17-F187 HydrophobicContact CG2-CE2 3.74Å |
| 18 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A13 G15 A20 T21 L22 | A13-G18 CarbonylContact O-C 3.6Å; G15-G18 PolarHBondContact O-N 3.42Å; G15-G18 VanDerWaalsContact O-N 3.11Å; G18-A20 PolarHBondContact O-N 2.87Å; G18-T21 PolarHBondContact O-N 3.06Å; G18-L22 PolarHBondContact O-N 3.22Å |
| 19 | L | 97.9 | Very high | 96.2 | Very high | 67 Ų | 67 | 29.2 Ų | 29.2 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.7 | -27 | 176.9 | -72.4 | 171.5 | 0 | 0 | 0 | 112.6 | A13 G15 T17 P23 P44 | A13-L19 PolarHBondContact O-N 3.44Å; A13-L19 VanDerWaalsContact O-N 3.08Å; G15-L19 WeakPolarHBondContact O-CB 3.44Å; G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 2.97Å; T17-L19 PolarHBondContact O-N 2.72Å; L19-P23 WeakPolarHBondContact O-CD 3.29Å; L19-P23 WeakPolarHBondContact O-CG 3.4Å; L19-P44 HydrophobicContact CD2-CG 4.01Å |
| 20 | A | 98.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 32 Ų | 32 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -82.2 | -29.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | T17 G18 Q24 K180 | T17-A20 CarbonylContact O-C 3.54Å; T17-A20 PolarHBondContact O-N 3.03Å; T17-A20 VanDerWaalsContact O-N 3.15Å; G18-A20 PolarHBondContact O-N 2.87Å; A20-Q24 WeakPolarHBondContact O-CG 3.46Å; A20-Q24 PolarHBondContact O-NE2 2.83Å; A20-K180 HydrophobicContact CB-CB 4.34Å; A20-K180 HydrophobicContact CB-CD 4.32Å; A20-K180 HydrophobicContact CB-CG 3.96Å |
| 21 | T | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -81.1 | -43.9 | -175.7 | -53.7 | 0 | 0 | 0 | 0 | 112 | I10 T17 G18 Q24 A25 I74 I76 G184 F187 V188 | I10-T21 HydrophobicContact CD1-CG2 4.33Å; T17-T21 WeakPolarHBondContact O-CB 3.4Å; T17-T21 PolarHBondContact O-N 3.28Å; T17-T21 PolarHBondContact O-OG1 3.39Å; G18-T21 PolarHBondContact O-N 3.06Å; T21-Q24 PolarHBondContact O-N 2.93Å; T21-A25 PolarHBondContact O-N 3.41Å; T21-I74 HydrophobicContact CG2-CD1 4.48Å; T21-I76 HydrophobicContact CG2-CD1 3.98Å; T21-I76 WeakPolarHBondContact OG1-CD1 3.45Å; T21-G184 WeakPolarHBondContact OG1-CA 3.44Å; T21-F187 HydrophobicContact CG2-CB 4.26Å; T21-F187 HydrophobicContact CG2-CD2 4.26Å; T21-V188 HydrophobicContact CG2-CG2 4.11Å |
| 22 | L | 98.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -52.9 | -53.7 | -177.9 | 175 | 59.6 | 0 | 0 | 0 | 113.6 | I10 G18 Q24 A25 V26 V33 V35 L43 H47 A49 | I10-L22 HydrophobicContact CD1-CD1 4.39Å; G18-L22 PolarHBondContact O-N 3.22Å; L22-Q24 VanDerWaalsContact C-N 3.28Å; L22-Q24 PolarHBondContact O-N 3.35Å; L22-A25 PolarHBondContact O-N 2.74Å; L22-V26 HydrophobicContact CD1-CG2 3.95Å; L22-V26 WeakPolarHBondContact O-CG2 3.25Å; L22-V26 PolarHBondContact O-N 2.57Å; L22-V33 HydrophobicContact CD1-CB 4.13Å; L22-V33 HydrophobicContact CD1-CG1 3.53Å; L22-V35 HydrophobicContact CD1-CG1 3.85Å; L22-V35 HydrophobicContact CD2-CG1 4.28Å; L22-L43 HydrophobicContact CD2-CD2 3.97Å; L22-H47 HydrophobicContact CD2-CB 3.99Å; L22-A49 HydrophobicContact CD1-CB 4.06Å; L22-A49 HydrophobicContact CD2-CB 4.43Å |
| 23 | P | 97.2 | Very high | 95.5 | Very high | 71 Ų | 71 | 34.8 Ų | 34.8 | 46% | 0.461 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.4 | -33.6 | -179.8 | 24.9 | -34.5 | 0 | 0 | 0 | 112.4 | L19 V26 A27 | L19-P23 WeakPolarHBondContact O-CD 3.29Å; L19-P23 WeakPolarHBondContact O-CG 3.4Å; P23-V26 PolarHBondContact O-N 3.41Å; P23-A27 WeakPolarHBondContact O-CB 3.42Å; P23-A27 PolarHBondContact O-N 2.9Å |
| 24 | Q | 97.6 | Very high | 95.5 | Very high | 31 Ų | 31 | 35 Ų | 35 | 15% | 0.145 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -41.2 | 175.8 | -66.3 | -178.1 | 63.8 | 0 | 0 | 111.7 | A20 T21 L22 A27 A28 H181 V188 | A20-Q24 WeakPolarHBondContact O-CG 3.46Å; A20-Q24 PolarHBondContact O-NE2 2.83Å; T21-Q24 PolarHBondContact O-N 2.93Å; L22-Q24 VanDerWaalsContact C-N 3.28Å; L22-Q24 PolarHBondContact O-N 3.35Å; Q24-A27 PolarHBondContact O-N 3.46Å; Q24-A28 VanDerWaalsContact O-CB 3.3Å; Q24-A28 WeakPolarHBondContact O-CB 3.34Å; Q24-A28 PolarHBondContact O-N 3.06Å; Q24-H181 PolarHBondContact NE2-O 3.35Å; Q24-V188 HydrophobicContact CB-CG2 4.26Å |
| 25 | A | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I10 T21 L22 A28 Y31 V33 V188 | I10-A25 HydrophobicContact CD1-CB 4Å; T21-A25 PolarHBondContact O-N 3.41Å; L22-A25 PolarHBondContact O-N 2.74Å; A25-A28 PolarHBondContact O-N 3.42Å; A25-Y31 WeakPolarHBondContact O-CB 3.39Å; A25-V33 HydrophobicContact CB-CG2 3.79Å; A25-V188 HydrophobicContact CB-CG2 3.87Å |
| 26 | V | 96.5 | Very high | 95.6 | Very high | 39 Ų | 39 | 33.3 Ų | 33.3 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.8 | -37.1 | 178.1 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | L22 P23 V33 K48 | L22-V26 HydrophobicContact CD1-CG2 3.95Å; L22-V26 WeakPolarHBondContact O-CG2 3.25Å; L22-V26 PolarHBondContact O-N 2.57Å; P23-V26 PolarHBondContact O-N 3.41Å; V26-V33 HydrophobicContact CG2-CB 3.95Å; V26-V33 HydrophobicContact CG2-CG2 3.73Å; V26-K48 HydrophobicContact CB-CB 4.47Å; V26-K48 HydrophobicContact CG1-CB 3.62Å |
| 27 | A | 93.9 | Very high | 95.6 | Very high | 86 Ų | 86 | 28.6 Ų | 28.6 | 71% | 0.711 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -75.2 | -26 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P23 Q24 | P23-A27 WeakPolarHBondContact O-CB 3.42Å; P23-A27 PolarHBondContact O-N 2.9Å; Q24-A27 PolarHBondContact O-N 3.46Å |
| 28 | A | 87.6 | Confident | 95.6 | Very high | 29 Ų | 29 | 35.7 Ų | 35.7 | 24% | 0.24 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -63.4 | 137 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q24 A25 G30 Y31 V188 | Q24-A28 VanDerWaalsContact O-CB 3.3Å; Q24-A28 WeakPolarHBondContact O-CB 3.34Å; Q24-A28 PolarHBondContact O-N 3.06Å; A25-A28 PolarHBondContact O-N 3.42Å; A28-G30 PolarHBondContact O-N 3.31Å; A28-Y31 HydrophobicContact CB-CD2 3.76Å; A28-Y31 HydrophobicContact CB-CE2 3.94Å; A28-V188 HydrophobicContact CB-CG1 3.9Å |
| 29 | A | 75.2 | Confident | 95.6 | Very high | 106 Ų | 106 | 38.5 Ų | 38.5 | 88% | 0.876 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 115.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 30 | G | 85.1 | Confident | 95.5 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 59% | 0.588 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | 1.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117 | A28 | A28-G30 PolarHBondContact O-N 3.31Š|
| 31 | Y | 96.9 | Very high | 95.5 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | trans | -90.8 | 123.7 | 175.3 | -57.9 | -51.1 | 0 | 0 | 0 | 113.3 | I5 K6 V8 A25 A28 V188 L191 | I5-Y31 HydrophobicContact CB-CE1 4.24Å; I5-Y31 HydrophobicContact CG2-CD1 4.14Å; I5-Y31 HydrophobicContact CG2-CE1 3.72Å; I5-Y31 VanDerWaalsContact O-CE1 3.27Å; I5-Y31 WeakPolarHBondContact O-CE1 2.86Å; K6-Y31 CarbonylContact O-C 3.53Å; K6-Y31 VanDerWaalsContact O-CA 3.22Å; K6-Y31 WeakPolarHBondContact O-CA 3.5Å; V8-Y31 HydrophobicContact CG2-CD1 3.74Å; V8-Y31 HydrophobicContact CG2-CE1 4.31Å; V8-Y31 HydrophobicContact CG2-CG 4.14Å; A25-Y31 WeakPolarHBondContact O-CB 3.39Å; A28-Y31 HydrophobicContact CB-CD2 3.76Å; A28-Y31 HydrophobicContact CB-CE2 3.94Å; Y31-V188 HydrophobicContact CD2-CG1 4.31Å; Y31-V188 HydrophobicContact CE2-CG1 3.88Å; Y31-L191 HydrophobicContact CD1-CD1 4.44Å; Y31-L191 HydrophobicContact CD2-CD1 4.14Å; Y31-L191 HydrophobicContact CE1-CB 4.18Å; Y31-L191 HydrophobicContact CE1-CD1 4.07Å; Y31-L191 HydrophobicContact CE2-CB 4.39Å; Y31-L191 HydrophobicContact CE2-CD1 3.74Å; Y31-L191 HydrophobicContact CG-CD1 4.49Å; Y31-L191 VanDerWaalsContact OH-CB 3.23Å; Y31-L191 WeakPolarHBondContact OH-CB 3.42Å | ||
| 32 | S | 97.8 | Very high | 95.4 | Very high | 42 Ų | 42 | 46.7 Ų | 46.7 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 116.8 | 164 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | K6 N7 V8 S50 | K6-S32 PolarHBondContact O-N 2.85Å; N7-S32 WeakPolarHBondContact CA-O 3.23Å; N7-S32 WeakPolarHBondContact OD1-CB 3.31Å; V8-S32 PolarHBondContact N-O 3.27Å; S32-S50 WeakPolarHBondContact CA-OG 3.26Å; S32-S50 WeakPolarHBondContact OG-CB 3.38Å; S32-S50 PolarHBondContact OG-OG 2.89Å |
| 33 | V | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.1 | -168.9 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | V8 I10 L22 A25 V26 V35 A49 S50 R51 | V8-V33 CarbonylContact O-C 3.57Å; V8-V33 WeakPolarHBondContact O-CA 3.37Å; I10-V33 HydrophobicContact CD1-CG1 3.65Å; I10-V33 HydrophobicContact CG1-CG1 3.82Å; L22-V33 HydrophobicContact CD1-CB 4.13Å; L22-V33 HydrophobicContact CD1-CG1 3.53Å; A25-V33 HydrophobicContact CB-CG2 3.79Å; V26-V33 HydrophobicContact CG2-CB 3.95Å; V26-V33 HydrophobicContact CG2-CG2 3.73Å; V33-V35 HydrophobicContact CG1-CG1 4.13Å; V33-A49 CarbonylContact O-C 3.53Å; V33-S50 PolarHBondContact N-OG 3.44Å; V33-S50 PolarHBondContact O-N 3.06Å; V33-R51 PolarHBondContact O-N 2.9Å |
| 34 | T | 98.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136.2 | 168.9 | -58 | 0 | 0 | 0 | 0 | 109.8 | V8 A9 I10 R51 V53 T66 Q70 | V8-T34 PolarHBondContact O-N 3.44Å; A9-T34 CarbonylContact C-O 3.57Å; A9-T34 VanDerWaalsContact CA-O 3.28Å; A9-T34 WeakPolarHBondContact CA-O 3.39Å; I10-T34 PolarHBondContact N-O 3.47Å; T34-R51 VanDerWaalsContact CA-O 3.32Å; T34-R51 WeakPolarHBondContact CA-O 3.25Å; T34-R51 HydrophobicContact CG2-CB 3.99Å; T34-R51 HydrophobicContact CG2-CG 4.07Å; T34-V53 HydrophobicContact CG2-CG2 4.11Å; T34-T66 HydrophobicContact CG2-CG2 4.04Å; T34-Q70 PolarHBondContact OG1-NE2 3.02Å |
| 35 | V | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139.2 | 176 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | I10 A13 L22 V33 V37 L43 A49 R51 V52 V53 | I10-V35 HydrophobicContact CB-CG1 4.3Å; A13-V35 HydrophobicContact CB-CB 3.87Å; A13-V35 HydrophobicContact CB-CG1 3.58Å; L22-V35 HydrophobicContact CD1-CG1 3.85Å; L22-V35 HydrophobicContact CD2-CG1 4.28Å; V33-V35 HydrophobicContact CG1-CG1 4.13Å; V35-V37 HydrophobicContact CB-CG1 4.39Å; V35-V37 HydrophobicContact CG2-CG1 4.09Å; V35-L43 HydrophobicContact CG2-CD1 3.99Å; V35-A49 HydrophobicContact CG1-CB 4.26Å; V35-A49 HydrophobicContact CG2-CB 4.17Å; V35-R51 PolarHBondContact N-O 3.49Å; V35-V52 HydrophobicContact CG2-CB 4.28Å; V35-V52 HydrophobicContact CG2-CG1 4.17Å; V35-V52 HydrophobicContact CG2-CG2 3.92Å; V35-V53 PolarHBondContact O-N 3.24Å |
| 36 | L | 98.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.063 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.6 | 165.5 | -179.4 | 63.6 | 0 | 0 | 0 | 109.2 | I10 F11 V53 V57 D62 V63 T66 | I10-L36 PolarHBondContact O-N 3.15Å; F11-L36 HydrophobicContact CD1-CB 3.89Å; F11-L36 HydrophobicContact CD1-CD2 3.82Å; F11-L36 HydrophobicContact CD1-CG 4.44Å; F11-L36 HydrophobicContact CE1-CB 3.89Å; F11-L36 HydrophobicContact CE1-CD2 3.55Å; F11-L36 HydrophobicContact CE1-CG 4.36Å; L36-V53 WeakPolarHBondContact CA-O 3.42Å; L36-V53 HydrophobicContact CD1-CB 4.02Å; L36-V53 HydrophobicContact CD1-CG1 3.76Å; L36-V53 WeakPolarHBondContact CD1-O 3.46Å; L36-V57 HydrophobicContact CD2-CB 4.25Å; L36-D62 HydrophobicContact CD1-CB 4.11Å; L36-V63 HydrophobicContact CD2-CG2 4.31Å; L36-T66 HydrophobicContact CB-CG2 3.9Å |
| 37 | V | 98.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.1 | -179.9 | -60.2 | 0 | 0 | 0 | 0 | 111 | T14 V35 D39 A40 L43 V52 V53 V54 G55 | T14-V37 HydrophobicContact CG2-CB 4.28Å; T14-V37 HydrophobicContact CG2-CG1 3.67Å; V35-V37 HydrophobicContact CB-CG1 4.39Å; V35-V37 HydrophobicContact CG2-CG1 4.09Å; V37-D39 VanDerWaalsContact C-N 3.3Å; V37-A40 HydrophobicContact CG2-CB 4.19Å; V37-L43 HydrophobicContact CG1-CD1 4.07Å; V37-L43 HydrophobicContact CG1-CD2 4.33Å; V37-L43 HydrophobicContact CG1-CG 4.23Å; V37-L43 HydrophobicContact CG2-CD1 4.34Å; V37-V52 HydrophobicContact CG2-CG1 3.63Å; V37-V53 PolarHBondContact N-O 3.04Å; V37-V54 HydrophobicContact CG2-CG2 4.48Å; V37-V54 CarbonylContact O-C 3.07Å; V37-V54 VanDerWaalsContact O-CA 3.26Å; V37-V54 WeakPolarHBondContact O-CA 3.46Å; V37-G55 CarbonylContact C-O 3.55Å; V37-G55 PolarHBondContact O-N 2.81Å |
| 38 | R | 98.1 | Very high | 94.8 | Very high | 160 Ų | 160 | 59.7 Ų | 59.7 | 60% | 0.604 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -73 | -27.8 | 172.9 | -71.4 | 177 | -70.2 | 174.2 | -4.8 | 112.7 | G55 | R38-G55 WeakPolarHBondContact CA-O 2.94Å; R38-G55 WeakPolarHBondContact CG-O 3.21Å; R38-G55 PolarHBondContact N-O 3.32Å |
| 39 | D | 97.4 | Very high | 95.3 | Very high | 59 Ų | 59 | 58.9 Ų | 58.9 | 32% | 0.316 | 35% | 0.353 | S | S | . | . | trans | -147.2 | 108.3 | -174.9 | 174.8 | 2.6 | 0 | 0 | 0 | 107.9 | V37 S41 K42 | V37-D39 VanDerWaalsContact C-N 3.3Å; D39-S41 VanDerWaalsContact CG-OG 3.26Å; D39-S41 PolarHBondContact O-N 2.94Å; D39-S41 WeakPolarHBondContact OD1-CB 3.3Å; D39-S41 PolarHBondContact OD1-N 2.99Å; D39-S41 PolarHBondContact OD1-OG 3.34Å; D39-S41 PolarHBondContact OD2-OG 2.61Å; D39-K42 HydrophobicContact CB-CD 4.14Å; D39-K42 HydrophobicContact CB-CG 4.39Å; D39-K42 PolarHBondContact O-N 3.43Å; D39-K42 WeakPolarHBondContact OD2-CE 3.31Å; D39-K42 IonicContact OD2-NZ 3.11Å | ||
| 40 | A | 97.1 | Very high | 96.3 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 37% | 0.372 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -68 | -23 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V37 K42 L43 V52 V54 | V37-A40 HydrophobicContact CG2-CB 4.19Å; A40-K42 PolarHBondContact O-N 2.82Å; A40-K42 VanDerWaalsContact O-N 3.12Å; A40-L43 WeakPolarHBondContact O-CB 3.44Å; A40-L43 PolarHBondContact O-N 3.45Å; A40-V52 HydrophobicContact CB-CG1 4.44Å; A40-V54 HydrophobicContact CB-CG2 4.09Å |
| 41 | S | 97.1 | Very high | 97 | Very high | 97 Ų | 97 | 59 Ų | 59 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -65.3 | -15.5 | 178.1 | 73.9 | 0 | 0 | 0 | 0 | 113.3 | D39 L43 | D39-S41 VanDerWaalsContact CG-OG 3.26Å; D39-S41 PolarHBondContact O-N 2.94Å; D39-S41 WeakPolarHBondContact OD1-CB 3.3Å; D39-S41 PolarHBondContact OD1-N 2.99Å; D39-S41 PolarHBondContact OD1-OG 3.34Å; D39-S41 PolarHBondContact OD2-OG 2.61Å; S41-L43 VanDerWaalsContact C-N 3.31Å |
| 42 | K | 97.1 | Very high | 97.1 | Very high | 102 Ų | 102 | 59.7 Ų | 59.7 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -83.3 | -5.9 | 176.2 | -66.2 | 177.5 | 179.7 | 157 | 0 | 113.6 | T14 D39 A40 | T14-K42 HydrophobicContact CG2-CB 3.84Å; D39-K42 HydrophobicContact CB-CD 4.14Å; D39-K42 HydrophobicContact CB-CG 4.39Å; D39-K42 PolarHBondContact O-N 3.43Å; D39-K42 WeakPolarHBondContact OD2-CE 3.31Å; D39-K42 IonicContact OD2-NZ 3.11Å; A40-K42 PolarHBondContact O-N 2.82Å; A40-K42 VanDerWaalsContact O-N 3.12Å |
| 43 | L | 97.5 | Very high | 97.1 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -83.3 | 142.1 | 168.6 | -69.4 | 169.6 | 0 | 0 | 0 | 109.4 | T14 L22 V35 V37 A40 S41 H47 V52 | T14-L43 HydrophobicContact CG2-CD2 3.75Å; T14-L43 HydrophobicContact CG2-CG 3.92Å; L22-L43 HydrophobicContact CD2-CD2 3.97Å; V35-L43 HydrophobicContact CG2-CD1 3.99Å; V37-L43 HydrophobicContact CG1-CD1 4.07Å; V37-L43 HydrophobicContact CG1-CD2 4.33Å; V37-L43 HydrophobicContact CG1-CG 4.23Å; V37-L43 HydrophobicContact CG2-CD1 4.34Å; A40-L43 WeakPolarHBondContact O-CB 3.44Å; A40-L43 PolarHBondContact O-N 3.45Å; S41-L43 VanDerWaalsContact C-N 3.31Å; L43-H47 HydrophobicContact CB-CB 4.23Å; L43-V52 HydrophobicContact CD1-CG1 3.91Å; L43-V52 HydrophobicContact CD1-CG2 3.9Å |
| 44 | P | 95.6 | Very high | 97.1 | Very high | 57 Ų | 57 | 62.8 Ų | 62.8 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | trans | -57.3 | 145.3 | 168.7 | -23 | 33.8 | 0 | 0 | 0 | 110.9 | L19 D46 H47 | L19-P44 HydrophobicContact CD2-CG 4.01Å; P44-D46 VanDerWaalsContact CB-OD1 3.31Å; P44-D46 WeakPolarHBondContact CB-OD1 3.41Å; P44-D46 PolarHBondContact O-N 2.99Å; P44-H47 VanDerWaalsContact O-CB 3.26Å; P44-H47 WeakPolarHBondContact O-CB 3.31Å; P44-H47 PolarHBondContact O-CD2 2.82Å; P44-H47 PolarHBondContact O-N 3.45Å | ||
| 45 | A | 93.1 | Very high | 97.1 | Very high | 114 Ų | 114 | 63.3 Ų | 63.3 | 94% | 0.942 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -26.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 46 | D | 93 | Very high | 97.1 | Very high | 114 Ų | 114 | 65.8 Ų | 65.8 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 21.1 | 179.5 | 67.2 | -27.8 | 0 | 0 | 0 | 113.4 | P44 K48 | P44-D46 VanDerWaalsContact CB-OD1 3.31Å; P44-D46 WeakPolarHBondContact CB-OD1 3.41Å; P44-D46 PolarHBondContact O-N 2.99Å; D46-K48 VanDerWaalsContact O-CG 3.23Å; D46-K48 WeakPolarHBondContact O-CG 3.12Å; D46-K48 PolarHBondContact O-N 3.29Å |
| 47 | H | 93.7 | Very high | 97.1 | Very high | 53 Ų | 53 | 65.7 Ų | 65.7 | 25% | 0.245 | 37% | 0.368 | C | S | . | . | trans | -55.3 | -18.7 | -172.7 | 64.6 | 71.8 | 0 | 0 | 0 | 116.7 | L22 L43 P44 A49 | L22-H47 HydrophobicContact CD2-CB 3.99Å; L43-H47 HydrophobicContact CB-CB 4.23Å; P44-H47 VanDerWaalsContact O-CB 3.26Å; P44-H47 WeakPolarHBondContact O-CB 3.31Å; P44-H47 PolarHBondContact O-CD2 2.82Å; P44-H47 PolarHBondContact O-N 3.45Å; H47-A49 WeakPolarHBondContact ND1-CB 3.23Å; H47-A49 PolarHBondContact ND1-N 3.28Å; H47-A49 VanDerWaalsContact ND1-N 3.13Å; H47-A49 PolarHBondContact O-N 3.23Å | ||
| 48 | K | 94.9 | Very high | 97.1 | Very high | 151 Ų | 151 | 69.6 Ų | 69.6 | 66% | 0.657 | 39% | 0.388 | S | S | * | . | trans | 52.4 | 2.7 | 179.1 | -56.2 | -45.1 | -178.9 | 177.3 | 0 | 118 | V26 D46 S50 | V26-K48 HydrophobicContact CB-CB 4.47Å; V26-K48 HydrophobicContact CG1-CB 3.62Å; D46-K48 VanDerWaalsContact O-CG 3.23Å; D46-K48 WeakPolarHBondContact O-CG 3.12Å; D46-K48 PolarHBondContact O-N 3.29Å; K48-S50 PolarHBondContact O-N 3.01Å | ||
| 49 | A | 97.1 | Very high | 97.1 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 10% | 0.099 | 38% | 0.377 | C | S | . | . | trans | -47.6 | 128.7 | 168 | 0 | 0 | 0 | 0 | 0 | 111.2 | L22 V33 V35 H47 R51 V52 | L22-A49 HydrophobicContact CD1-CB 4.06Å; L22-A49 HydrophobicContact CD2-CB 4.43Å; V33-A49 CarbonylContact O-C 3.53Å; V35-A49 HydrophobicContact CG1-CB 4.26Å; V35-A49 HydrophobicContact CG2-CB 4.17Å; H47-A49 WeakPolarHBondContact ND1-CB 3.23Å; H47-A49 PolarHBondContact ND1-N 3.28Å; H47-A49 VanDerWaalsContact ND1-N 3.13Å; H47-A49 PolarHBondContact O-N 3.23Å; A49-R51 PolarHBondContact O-N 3.2Å; A49-V52 HydrophobicContact CB-CG2 4.31Å | ||
| 50 | S | 97.7 | Very high | 97.2 | Very high | 75 Ų | 75 | 67.1 Ų | 67.1 | 52% | 0.524 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -65.4 | -29.1 | -178.8 | -54.4 | 0 | 0 | 0 | 0 | 112.5 | S32 V33 K48 | S32-S50 WeakPolarHBondContact CA-OG 3.26Å; S32-S50 WeakPolarHBondContact OG-CB 3.38Å; S32-S50 PolarHBondContact OG-OG 2.89Å; V33-S50 PolarHBondContact N-OG 3.44Å; V33-S50 PolarHBondContact O-N 3.06Å; K48-S50 PolarHBondContact O-N 3.01Å |
| 51 | R | 98.5 | Very high | 97.2 | Very high | 90 Ų | 90 | 68.5 Ų | 68.5 | 34% | 0.34 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 135.3 | 175.6 | -177.2 | -179.7 | 175.9 | -165.3 | 3.8 | 110.7 | V33 T34 V35 A49 V53 K65 E68 | V33-R51 PolarHBondContact O-N 2.9Å; T34-R51 VanDerWaalsContact CA-O 3.32Å; T34-R51 WeakPolarHBondContact CA-O 3.25Å; T34-R51 HydrophobicContact CG2-CB 3.99Å; T34-R51 HydrophobicContact CG2-CG 4.07Å; V35-R51 PolarHBondContact N-O 3.49Å; A49-R51 PolarHBondContact O-N 3.2Å; R51-V53 HydrophobicContact CG-CG2 4.31Å; R51-K65 PolarHBondContact NH1-O 3.34Å; R51-K65 PolarHBondContact NH2-O 2.83Å; R51-E68 IonicContact CZ-OE2 2.77Å; R51-E68 IonicContact NH1-OE2 3.72Å; R51-E68 PolarHBondContact NH1-OE2 3.46Å; R51-E68 VanDerWaalsContact NH1-OE2 3.11Å; R51-E68 IonicContact NH2-OE2 2.92Å; R51-E68 PolarHBondContact NH2-OE2 3.25Å |
| 52 | V | 98.6 | Very high | 97.3 | Very high | 49 Ų | 49 | 64.9 Ų | 64.9 | 30% | 0.297 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.1 | 172 | -178.6 | 0 | 0 | 0 | 0 | 108 | V35 V37 A40 L43 A49 | V35-V52 HydrophobicContact CG2-CB 4.28Å; V35-V52 HydrophobicContact CG2-CG1 4.17Å; V35-V52 HydrophobicContact CG2-CG2 3.92Å; V37-V52 HydrophobicContact CG2-CG1 3.63Å; A40-V52 HydrophobicContact CB-CG1 4.44Å; L43-V52 HydrophobicContact CD1-CG1 3.91Å; L43-V52 HydrophobicContact CD1-CG2 3.9Å; A49-V52 HydrophobicContact CB-CG2 4.31Å |
| 53 | V | 98.8 | Very high | 97.4 | Very high | 14 Ų | 14 | 60 Ų | 60 | 9% | 0.085 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.8 | 171.1 | -177 | 0 | 0 | 0 | 0 | 107.5 | T34 V35 L36 V37 R51 | T34-V53 HydrophobicContact CG2-CG2 4.11Å; V35-V53 PolarHBondContact O-N 3.24Å; L36-V53 WeakPolarHBondContact CA-O 3.42Å; L36-V53 HydrophobicContact CD1-CB 4.02Å; L36-V53 HydrophobicContact CD1-CG1 3.76Å; L36-V53 WeakPolarHBondContact CD1-O 3.46Å; V37-V53 PolarHBondContact N-O 3.04Å; R51-V53 HydrophobicContact CG-CG2 4.31Å |
| 54 | V | 98.8 | Very high | 97.5 | Very high | 93 Ų | 93 | 65.2 Ų | 65.2 | 56% | 0.564 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.1 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | V37 A40 | V37-V54 HydrophobicContact CG2-CG2 4.48Å; V37-V54 CarbonylContact O-C 3.07Å; V37-V54 VanDerWaalsContact O-CA 3.26Å; V37-V54 WeakPolarHBondContact O-CA 3.46Å; A40-V54 HydrophobicContact CB-CG2 4.09Å |
| 55 | G | 98.6 | Very high | 97.6 | Very high | 15 Ų | 15 | 67 Ų | 67 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | S | Bend | trans | 172.3 | -169.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V37 R38 D62 | V37-G55 CarbonylContact C-O 3.55Å; V37-G55 PolarHBondContact O-N 2.81Å; R38-G55 WeakPolarHBondContact CA-O 2.94Å; R38-G55 WeakPolarHBondContact CG-O 3.21Å; R38-G55 PolarHBondContact N-O 3.32Å; G55-D62 WeakPolarHBondContact CA-OD2 3.39Å |
| 56 | D | 98.7 | Very high | 97.9 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | trans | -119.1 | 139.4 | -179 | -158.2 | -52.6 | 0 | 0 | 0 | 111.6 | L58 N59 D62 | D56-L58 PolarHBondContact O-N 2.98Å; D56-L58 WeakPolarHBondContact OD1-CB 3.21Å; D56-L58 PolarHBondContact OD1-N 2.85Å; D56-N59 HydrophobicContact CB-CB 4.39Å; D56-N59 WeakPolarHBondContact O-CB 3.49Å; D56-N59 PolarHBondContact O-N 3.29Å; D56-D62 PolarHBondContact N-OD2 3.04Å | ||
| 57 | V | 98.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.9 | 177 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | F11 L36 N59 V63 L77 M88 N95 I96 | F11-V57 HydrophobicContact CD1-CG2 3.83Å; F11-V57 HydrophobicContact CE1-CG2 4.21Å; L36-V57 HydrophobicContact CD2-CB 4.25Å; V57-N59 VanDerWaalsContact C-N 3.26Å; V57-V63 HydrophobicContact CG2-CG2 4.08Å; V57-V63 VanDerWaalsContact O-CG2 3.3Å; V57-V63 WeakPolarHBondContact O-CG2 3.33Å; V57-L77 HydrophobicContact CB-CD2 4.45Å; V57-L77 HydrophobicContact CG1-CD1 4.28Å; V57-L77 HydrophobicContact CG1-CD2 4.19Å; V57-L77 HydrophobicContact CG2-CD1 4.04Å; V57-L77 HydrophobicContact CG2-CD2 4.42Å; V57-M88 HydrophobicContact CG1-SD 4.06Å; V57-N95 PolarHBondContact O-ND2 2.99Å; V57-I96 HydrophobicContact CG2-CD1 3.79Å; V57-I96 HydrophobicContact CG2-CG1 4.17Å |
| 58 | L | 98.7 | Very high | 98.4 | Very high | 84 Ų | 84 | 57.8 Ų | 57.8 | 44% | 0.44 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -15.2 | 172.8 | -59.9 | -177.7 | 0 | 0 | 0 | 112.6 | D56 M88 E91 N95 | D56-L58 PolarHBondContact O-N 2.98Å; D56-L58 WeakPolarHBondContact OD1-CB 3.21Å; D56-L58 PolarHBondContact OD1-N 2.85Å; L58-M88 HydrophobicContact CD1-CG 4.28Å; L58-M88 HydrophobicContact CD2-CG 4.44Å; L58-M88 HydrophobicContact CG-CG 4.44Å; L58-E91 HydrophobicContact CD2-CB 3.74Å; L58-N95 PolarHBondContact O-ND2 3.46Å; L58-N95 VanDerWaalsContact O-ND2 3.15Å |
| 59 | N | 98.8 | Very high | 98.5 | Very high | 68 Ų | 68 | 53.3 Ų | 53.3 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | trans | -89.1 | 115.3 | 172.8 | -174 | -41 | 0 | 0 | 0 | 110.2 | D56 V57 D61 D62 V63 | D56-N59 HydrophobicContact CB-CB 4.39Å; D56-N59 WeakPolarHBondContact O-CB 3.49Å; D56-N59 PolarHBondContact O-N 3.29Å; V57-N59 VanDerWaalsContact C-N 3.26Å; N59-D61 VanDerWaalsContact C-N 3.25Å; N59-D61 PolarHBondContact O-N 3.11Å; N59-D61 WeakPolarHBondContact OD1-CA 3.28Å; N59-D61 WeakPolarHBondContact OD1-CB 3.27Å; N59-D61 PolarHBondContact OD1-N 3.3Å; N59-D62 HydrophobicContact CB-CB 4.14Å; N59-D62 WeakPolarHBondContact CB-OD2 3.19Å; N59-D62 PolarHBondContact O-N 3.4Å; N59-D62 PolarHBondContact OD1-N 2.78Å; N59-V63 WeakPolarHBondContact O-CG2 3.24Å; N59-V63 PolarHBondContact O-N 2.68Å; N59-V63 VanDerWaalsContact O-N 3.15Å | ||
| 60 | K | 98.7 | Very high | 98.6 | Very high | 100 Ų | 100 | 53.6 Ų | 53.6 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.6 | -34 | -179.7 | -65.1 | -167.9 | 180 | -154.3 | 0 | 113 | R64 N95 E98 | K60-R64 WeakPolarHBondContact O-CB 3.26Å; K60-R64 VanDerWaalsContact O-CG 3.22Å; K60-R64 WeakPolarHBondContact O-CG 3.4Å; K60-R64 PolarHBondContact O-N 2.58Å; K60-N95 VanDerWaalsContact CE-OD1 3.29Å; K60-N95 WeakPolarHBondContact CE-OD1 3.21Å; K60-N95 HydrophobicContact CG-CB 4.5Å; K60-N95 WeakPolarHBondContact CG-OD1 3.4Å; K60-E98 IonicContact NZ-OE1 3.02Å; K60-E98 IonicContact NZ-OE2 3.39Å; K60-E98 PolarHBondContact NZ-OE2 3.32Å |
| 61 | D | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 52.5 Ų | 52.5 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.8 | -40.9 | -178.4 | -65.8 | -8.4 | 0 | 0 | 0 | 111.5 | N59 V63 R64 K65 | N59-D61 VanDerWaalsContact C-N 3.25Å; N59-D61 PolarHBondContact O-N 3.11Å; N59-D61 WeakPolarHBondContact OD1-CA 3.28Å; N59-D61 WeakPolarHBondContact OD1-CB 3.27Å; N59-D61 PolarHBondContact OD1-N 3.3Å; D61-V63 VanDerWaalsContact C-N 3.34Å; D61-R64 PolarHBondContact O-N 2.73Å; D61-R64 IonicContact OD1-CZ 2.74Å; D61-R64 VanDerWaalsContact OD1-CZ 3.24Å; D61-R64 IonicContact OD1-NE 3.24Å; D61-R64 PolarHBondContact OD1-NE 3.15Å; D61-R64 IonicContact OD1-NH2 3.77Å; D61-R64 PolarHBondContact OD1-NH2 2.89Å; D61-K65 WeakPolarHBondContact O-CB 3.31Å; D61-K65 VanDerWaalsContact O-CG 3.27Å; D61-K65 WeakPolarHBondContact O-CG 3.4Å; D61-K65 PolarHBondContact O-N 3.15Å |
| 62 | D | 98.8 | Very high | 98.6 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 177.6 | -62.5 | -19.8 | 0 | 0 | 0 | 110.8 | L36 G55 D56 N59 K65 T66 | L36-D62 HydrophobicContact CD1-CB 4.11Å; G55-D62 WeakPolarHBondContact CA-OD2 3.39Å; D56-D62 PolarHBondContact N-OD2 3.04Å; N59-D62 HydrophobicContact CB-CB 4.14Å; N59-D62 WeakPolarHBondContact CB-OD2 3.19Å; N59-D62 PolarHBondContact O-N 3.4Å; N59-D62 PolarHBondContact OD1-N 2.78Å; D62-K65 PolarHBondContact O-N 3.29Å; D62-T66 WeakPolarHBondContact O-CB 3.22Å; D62-T66 PolarHBondContact O-N 2.78Å; D62-T66 PolarHBondContact O-OG1 2.78Å |
| 63 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 172.2 | 176 | 0 | 0 | 0 | 0 | 111.3 | F11 L36 V57 N59 D61 K65 T66 L67 N95 I96 A99 | F11-V63 HydrophobicContact CE1-CG1 4.45Å; F11-V63 HydrophobicContact CE1-CG2 4.22Å; F11-V63 HydrophobicContact CZ-CG1 4.24Å; L36-V63 HydrophobicContact CD2-CG2 4.31Å; V57-V63 HydrophobicContact CG2-CG2 4.08Å; V57-V63 VanDerWaalsContact O-CG2 3.3Å; V57-V63 WeakPolarHBondContact O-CG2 3.33Å; N59-V63 WeakPolarHBondContact O-CG2 3.24Å; N59-V63 PolarHBondContact O-N 2.68Å; N59-V63 VanDerWaalsContact O-N 3.15Å; D61-V63 VanDerWaalsContact C-N 3.34Å; V63-K65 VanDerWaalsContact C-N 3.35Å; V63-K65 PolarHBondContact O-N 3.26Å; V63-T66 PolarHBondContact O-N 3.12Å; V63-L67 HydrophobicContact CG1-CD1 3.97Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 3.05Å; V63-N95 HydrophobicContact CB-CB 4.48Å; V63-N95 HydrophobicContact CG1-CB 4.43Å; V63-N95 HydrophobicContact CG2-CB 4.1Å; V63-I96 HydrophobicContact CG1-CB 4.4Å; V63-I96 HydrophobicContact CG1-CG1 3.9Å; V63-A99 HydrophobicContact CG1-CB 4.02Å |
| 64 | R | 98.7 | Very high | 98.6 | Very high | 123 Ų | 123 | 45.2 Ų | 45.2 | 46% | 0.464 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 177.8 | -78.1 | -172 | -55.9 | -172.6 | 13.7 | 112.4 | K60 D61 L67 E68 A99 R103 | K60-R64 WeakPolarHBondContact O-CB 3.26Å; K60-R64 VanDerWaalsContact O-CG 3.22Å; K60-R64 WeakPolarHBondContact O-CG 3.4Å; K60-R64 PolarHBondContact O-N 2.58Å; D61-R64 PolarHBondContact O-N 2.73Å; D61-R64 IonicContact OD1-CZ 2.74Å; D61-R64 VanDerWaalsContact OD1-CZ 3.24Å; D61-R64 IonicContact OD1-NE 3.24Å; D61-R64 PolarHBondContact OD1-NE 3.15Å; D61-R64 IonicContact OD1-NH2 3.77Å; D61-R64 PolarHBondContact OD1-NH2 2.89Å; R64-L67 PolarHBondContact O-N 2.9Å; R64-E68 PolarHBondContact O-N 3.27Å; R64-A99 HydrophobicContact CG-CB 4.11Å; R64-R103 PolarHBondContact O-NE 2.95Å; R64-R103 PolarHBondContact O-NH2 3.11Å |
| 65 | K | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 40.8 Ų | 40.8 | 41% | 0.413 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 176 | -72.1 | 167.9 | -171.8 | 166.5 | 0 | 111.4 | R51 D61 D62 V63 L67 E68 | R51-K65 PolarHBondContact NH1-O 3.34Å; R51-K65 PolarHBondContact NH2-O 2.83Å; D61-K65 WeakPolarHBondContact O-CB 3.31Å; D61-K65 VanDerWaalsContact O-CG 3.27Å; D61-K65 WeakPolarHBondContact O-CG 3.4Å; D61-K65 PolarHBondContact O-N 3.15Å; D62-K65 PolarHBondContact O-N 3.29Å; V63-K65 VanDerWaalsContact C-N 3.35Å; V63-K65 PolarHBondContact O-N 3.26Å; K65-L67 PolarHBondContact O-N 2.94Å; K65-E68 WeakPolarHBondContact O-CB 3.43Å; K65-E68 WeakPolarHBondContact O-CG 3.45Å; K65-E68 PolarHBondContact O-N 3.45Å |
| 66 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -35.8 | 178.8 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | A9 F11 T34 L36 D62 V63 Q70 | A9-T66 HydrophobicContact CB-CG2 4.14Å; F11-T66 HydrophobicContact CE1-CG2 4.05Å; F11-T66 HydrophobicContact CE2-CG2 4.34Å; F11-T66 HydrophobicContact CZ-CG2 3.72Å; T34-T66 HydrophobicContact CG2-CG2 4.04Å; L36-T66 HydrophobicContact CB-CG2 3.9Å; D62-T66 WeakPolarHBondContact O-CB 3.22Å; D62-T66 PolarHBondContact O-N 2.78Å; D62-T66 PolarHBondContact O-OG1 2.78Å; V63-T66 PolarHBondContact O-N 3.12Å; T66-Q70 WeakPolarHBondContact O-CG 3.47Å |
| 67 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 6.2 | -177.3 | -66.3 | 177.8 | 0 | 0 | 0 | 114.7 | A9 F11 V63 R64 K65 G69 Q70 V73 I96 A99 M100 R103 I105 | A9-L67 HydrophobicContact CB-CD2 3.75Å; F11-L67 HydrophobicContact CE2-CD2 4.02Å; F11-L67 HydrophobicContact CZ-CD2 4.21Å; F11-L67 HydrophobicContact CZ-CG 4.26Å; V63-L67 HydrophobicContact CG1-CD1 3.97Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 3.05Å; R64-L67 PolarHBondContact O-N 2.9Å; K65-L67 PolarHBondContact O-N 2.94Å; L67-G69 PolarHBondContact O-N 3.2Å; L67-Q70 HydrophobicContact CD2-CG 4.44Å; L67-V73 HydrophobicContact CD2-CG2 3.4Å; L67-I96 HydrophobicContact CD1-CG2 4.44Å; L67-A99 HydrophobicContact CD1-CB 3.61Å; L67-M100 HydrophobicContact CD1-CG 3.95Å; L67-R103 VanDerWaalsContact O-CD 3.25Å; L67-R103 WeakPolarHBondContact O-CD 3.48Å; L67-I105 HydrophobicContact CB-CD1 4.15Å; L67-I105 HydrophobicContact CD2-CD1 4.33Å |
| 68 | E | 98.1 | Very high | 98.5 | Very high | 87 Ų | 87 | 40.4 Ų | 40.4 | 41% | 0.407 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 121.9 | 173.2 | -72 | 162.3 | 176.7 | 0 | 0 | 111.2 | R51 R64 K65 Q70 | R51-E68 IonicContact CZ-OE2 2.77Å; R51-E68 IonicContact NH1-OE2 3.72Å; R51-E68 PolarHBondContact NH1-OE2 3.46Å; R51-E68 VanDerWaalsContact NH1-OE2 3.11Å; R51-E68 IonicContact NH2-OE2 2.92Å; R51-E68 PolarHBondContact NH2-OE2 3.25Å; R64-E68 PolarHBondContact O-N 3.27Å; K65-E68 WeakPolarHBondContact O-CB 3.43Å; K65-E68 WeakPolarHBondContact O-CG 3.45Å; K65-E68 PolarHBondContact O-N 3.45Å; E68-Q70 VanDerWaalsContact C-N 3.26Å; E68-Q70 PolarHBondContact O-N 3.28Å; E68-Q70 PolarHBondContact O-NE2 2.87Å |
| 69 | G | 97.6 | Very high | 98.4 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 59% | 0.588 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | 16.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N7 L67 | N7-G69 WeakPolarHBondContact CB-O 3.39Å; N7-G69 PolarHBondContact ND2-O 3.31Å; L67-G69 PolarHBondContact O-N 3.2Å |
| 70 | Q | 98.6 | Very high | 98.2 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | trans | -89.2 | 145.9 | -179.5 | -50.2 | -56.7 | -52.5 | 0 | 0 | 111.2 | V8 A9 T34 T66 L67 E68 I105 | V8-Q70 PolarHBondContact O-OE1 3.32Å; A9-Q70 HydrophobicContact CB-CG 4.06Å; T34-Q70 PolarHBondContact OG1-NE2 3.02Å; T66-Q70 WeakPolarHBondContact O-CG 3.47Å; L67-Q70 HydrophobicContact CD2-CG 4.44Å; E68-Q70 VanDerWaalsContact C-N 3.26Å; E68-Q70 PolarHBondContact O-N 3.28Å; E68-Q70 PolarHBondContact O-NE2 2.87Å; Q70-I105 HydrophobicContact CB-CD1 4.08Å; Q70-I105 VanDerWaalsContact O-CD1 3.31Å; Q70-I105 WeakPolarHBondContact O-CD1 3.2Å; Q70-I105 VanDerWaalsContact O-CG1 3.31Å; Q70-I105 WeakPolarHBondContact O-CG1 3.39Å | ||
| 71 | D | 98.3 | Very high | 98 | Very high | 53 Ų | 53 | 42.5 Ų | 42.5 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -100.3 | -27.5 | 179.1 | -50.4 | -38.3 | 0 | 0 | 0 | 111.5 | I5 K6 N7 I105 | I5-D71 HydrophobicContact CB-CB 4.32Å; I5-D71 HydrophobicContact CG1-CB 4.1Å; I5-D71 HydrophobicContact CG2-CB 4.17Å; K6-D71 WeakPolarHBondContact CA-OD2 3.47Å; K6-D71 PolarHBondContact N-OD2 2.85Å; N7-D71 PolarHBondContact N-OD2 3.46Å; N7-D71 PolarHBondContact O-N 3.04Å; D71-I105 WeakPolarHBondContact O-CG2 3.36Å |
| 72 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 163.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I5 N7 V8 A9 K107 L191 | I5-A72 HydrophobicContact CD1-CB 3.83Å; I5-A72 HydrophobicContact CG1-CB 4.18Å; I5-A72 HydrophobicContact CG2-CB 3.83Å; N7-A72 PolarHBondContact O-N 3.42Å; V8-A72 WeakPolarHBondContact CA-O 3.45Å; A9-A72 PolarHBondContact N-O 3.47Å; A72-K107 WeakPolarHBondContact CA-O 3.45Å; A72-K107 HydrophobicContact CB-CB 3.88Å; A72-K107 HydrophobicContact CB-CG 4.01Å; A72-L191 HydrophobicContact CB-CD2 3.62Å |
| 73 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 137.3 | -179.7 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | A9 F11 L67 I75 I96 M100 I105 K107 V108 I109 | A9-V73 HydrophobicContact CB-CG2 4.46Å; A9-V73 CarbonylContact O-C 3.54Å; A9-V73 WeakPolarHBondContact O-CA 3.46Å; F11-V73 HydrophobicContact CD2-CG1 3.64Å; F11-V73 HydrophobicContact CE2-CG1 3.64Å; L67-V73 HydrophobicContact CD2-CG2 3.4Å; V73-I75 HydrophobicContact CG1-CG1 3.84Å; V73-I96 HydrophobicContact CG1-CG2 3.93Å; V73-M100 HydrophobicContact CB-CE 4.3Å; V73-M100 HydrophobicContact CB-SD 4.06Å; V73-M100 HydrophobicContact CG2-CE 3.94Å; V73-M100 HydrophobicContact CG2-CG 3.89Å; V73-M100 HydrophobicContact CG2-SD 3.69Å; V73-I105 HydrophobicContact CG2-CG2 4.4Å; V73-K107 PolarHBondContact N-O 2.99Å; V73-V108 HydrophobicContact CB-CB 4.49Å; V73-V108 HydrophobicContact CB-CG2 4.25Å; V73-V108 HydrophobicContact CG1-CG2 4.47Å; V73-V108 CarbonylContact O-C 3.6Å; V73-V108 VanDerWaalsContact O-CA 3.3Å; V73-V108 WeakPolarHBondContact O-CA 3.23Å; V73-I109 PolarHBondContact O-N 2.9Å |
| 74 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.6 | 166.3 | -58.1 | 172.7 | 0 | 0 | 0 | 108.4 | V8 A9 I10 F11 T21 I76 I109 F187 L191 | V8-I74 HydrophobicContact CG1-CD1 4.09Å; V8-I74 HydrophobicContact CG1-CG1 4.14Å; A9-I74 PolarHBondContact O-N 2.9Å; I10-I74 WeakPolarHBondContact CA-O 3.33Å; I10-I74 HydrophobicContact CG1-CB 4.28Å; I10-I74 HydrophobicContact CG1-CD1 4.41Å; F11-I74 PolarHBondContact N-O 3.26Å; T21-I74 HydrophobicContact CG2-CD1 4.48Å; I74-I76 HydrophobicContact CG2-CD1 3.88Å; I74-I76 HydrophobicContact CG2-CG1 3.7Å; I74-I109 CarbonylContact C-O 3.58Å; I74-I109 WeakPolarHBondContact CA-O 3.5Å; I74-I109 HydrophobicContact CG1-CB 4.44Å; I74-I109 HydrophobicContact CG1-CD1 4.29Å; I74-F187 HydrophobicContact CD1-CB 4.22Å; I74-F187 HydrophobicContact CG2-CB 4.08Å; I74-F187 HydrophobicContact CG2-CD2 4.4Å; I74-F187 HydrophobicContact CG2-CG 4.21Å; I74-L191 HydrophobicContact CD1-CD1 4.06Å; I74-L191 HydrophobicContact CD1-CD2 4.39Å; I74-L191 HydrophobicContact CD1-CG 4.36Å; I74-L191 HydrophobicContact CG1-CD2 4.32Å |
| 75 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 107.7 | -179.3 | -49.4 | 179.4 | 0 | 0 | 0 | 109.1 | V73 L77 T93 I96 V108 I109 C111 M137 L141 | V73-I75 HydrophobicContact CG1-CG1 3.84Å; I75-L77 HydrophobicContact CG2-CB 4.21Å; I75-L77 HydrophobicContact CG2-CD1 3.67Å; I75-L77 HydrophobicContact CG2-CG 3.65Å; I75-T93 HydrophobicContact CD1-CG2 4.02Å; I75-I96 HydrophobicContact CD1-CB 4.44Å; I75-I96 HydrophobicContact CD1-CD1 3.93Å; I75-I96 HydrophobicContact CD1-CG2 3.96Å; I75-I96 HydrophobicContact CG1-CD1 4.11Å; I75-I96 HydrophobicContact CG2-CD1 4.39Å; I75-V108 HydrophobicContact CD1-CG2 3.66Å; I75-V108 HydrophobicContact CG1-CG2 3.99Å; I75-I109 PolarHBondContact N-O 3.49Å; I75-C111 PolarHBondContact O-N 3.48Å; I75-M137 HydrophobicContact CB-CE 4.1Å; I75-M137 HydrophobicContact CG2-CE 3.62Å; I75-L141 HydrophobicContact CD1-CD2 4.41Å |
| 76 | I | 98.7 | Very high | 97.8 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 8% | 0.077 | 26% | 0.258 | C | S | . | . | trans | -120.7 | 42.7 | 176.8 | -41.4 | 178.8 | 0 | 0 | 0 | 109 | I10 F11 G12 T17 T21 I74 C111 F187 | I10-I76 HydrophobicContact CG2-CD1 4.38Å; F11-I76 CarbonylContact O-C 3.5Å; F11-I76 WeakPolarHBondContact O-CA 3.28Å; F11-I76 PolarHBondContact O-N 3.05Å; G12-I76 WeakPolarHBondContact CA-O 3.3Å; T17-I76 HydrophobicContact CG2-CG2 4.31Å; T21-I76 HydrophobicContact CG2-CD1 3.98Å; T21-I76 WeakPolarHBondContact OG1-CD1 3.45Å; I74-I76 HydrophobicContact CG2-CD1 3.88Å; I74-I76 HydrophobicContact CG2-CG1 3.7Å; I76-C111 HydrophobicContact CG2-CB 4.46Å; I76-F187 HydrophobicContact CD1-CD2 3.66Å; I76-F187 HydrophobicContact CD1-CE2 3.71Å; I76-F187 HydrophobicContact CG1-CD2 4.22Å; I76-F187 HydrophobicContact CG1-CE2 3.98Å; I76-F187 HydrophobicContact CG2-CE2 4.49Å | ||
| 77 | L | 98.5 | Very high | 97.8 | Very high | 22 Ų | 22 | 47 Ų | 47 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | trans | -68 | 151.7 | 176.6 | -64.5 | 173.2 | 0 | 0 | 0 | 110.2 | F11 V57 I75 M89 I96 | F11-L77 HydrophobicContact CB-CD2 4.02Å; F11-L77 HydrophobicContact CB-CG 4.28Å; V57-L77 HydrophobicContact CB-CD2 4.45Å; V57-L77 HydrophobicContact CG1-CD1 4.28Å; V57-L77 HydrophobicContact CG1-CD2 4.19Å; V57-L77 HydrophobicContact CG2-CD1 4.04Å; V57-L77 HydrophobicContact CG2-CD2 4.42Å; I75-L77 HydrophobicContact CG2-CB 4.21Å; I75-L77 HydrophobicContact CG2-CD1 3.67Å; I75-L77 HydrophobicContact CG2-CG 3.65Å; L77-M89 HydrophobicContact CB-CG 4.2Å; L77-I96 HydrophobicContact CD1-CD1 4.41Å | ||
| 78 | G | 96.6 | Very high | 97.8 | Very high | 33 Ų | 33 | 48.4 Ų | 48.4 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | trans | -174.5 | 162.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R80 M88 | G78-R80 VanDerWaalsContact C-N 3.34Å; G78-M88 WeakPolarHBondContact O-CE 3.3Å | ||
| 79 | T | 96.5 | Very high | 97.8 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 15% | 0.153 | 27% | 0.269 | C | S | . | . | trans | -93.2 | 11.4 | -176.2 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | S81 D82 T86 M88 | T79-S81 PolarHBondContact O-N 3.24Å; T79-D82 WeakPolarHBondContact CB-O 3.27Å; T79-D82 WeakPolarHBondContact O-CB 3.39Å; T79-D82 PolarHBondContact O-N 2.69Å; T79-D82 PolarHBondContact OG1-O 2.96Å; T79-T86 HydrophobicContact CG2-CG2 3.91Å; T79-M88 HydrophobicContact CG2-CE 4.25Å | ||
| 80 | R | 94.6 | Very high | 97.9 | Very high | 154 Ų | 154 | 41.8 Ų | 41.8 | 58% | 0.581 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | -118.5 | -172.9 | -59.5 | -179 | 168.3 | -113.5 | -9.3 | 110.1 | T14 G78 | T14-R80 PolarHBondContact O-NH2 3.22Å; G78-R80 VanDerWaalsContact C-N 3.34Å |
| 81 | S | 94.4 | Very high | 97.9 | Very high | 116 Ų | 116 | 44.7 Ų | 44.7 | 81% | 0.811 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -4.1 | 178.4 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | T79 L83 | T79-S81 PolarHBondContact O-N 3.24Å; S81-L83 PolarHBondContact O-N 2.83Å |
| 82 | D | 97.4 | Very high | 97.9 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 46% | 0.46 | 24% | 0.243 | S | C | . | . | trans | -76.8 | 121.1 | 177.3 | -175 | 2.1 | 0 | 0 | 0 | 109.8 | T79 S84 | T79-D82 WeakPolarHBondContact CB-O 3.27Å; T79-D82 WeakPolarHBondContact O-CB 3.39Å; T79-D82 PolarHBondContact O-N 2.69Å; T79-D82 PolarHBondContact OG1-O 2.96Å; D82-S84 VanDerWaalsContact CG-OG 3.28Å; D82-S84 WeakPolarHBondContact OD1-CB 3.49Å; D82-S84 PolarHBondContact OD1-N 2.89Å; D82-S84 PolarHBondContact OD1-OG 3.42Å; D82-S84 PolarHBondContact OD2-OG 3.27Å | ||
| 83 | L | 97.4 | Very high | 97.9 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | trans | -111.9 | 10.1 | -178.3 | -58 | -178.7 | 0 | 0 | 0 | 112.4 | S81 R126 L127 V130 | S81-L83 PolarHBondContact O-N 2.83Å; L83-R126 WeakPolarHBondContact CB-O 3.32Å; L83-R126 HydrophobicContact CD1-CB 4.46Å; L83-R126 HydrophobicContact CD1-CG 4.23Å; L83-L127 HydrophobicContact CD1-CD2 3.89Å; L83-L127 HydrophobicContact CD2-CD2 3.7Å; L83-L127 HydrophobicContact CG-CD2 4.41Å; L83-V130 HydrophobicContact CD2-CG2 4.11Å | ||
| 84 | S | 97.8 | Very high | 97.9 | Very high | 53 Ų | 53 | 46.2 Ų | 46.2 | 37% | 0.371 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -65.9 | 160.2 | 176.3 | 65.1 | 0 | 0 | 0 | 0 | 112 | D82 T86 | D82-S84 VanDerWaalsContact CG-OG 3.28Å; D82-S84 WeakPolarHBondContact OD1-CB 3.49Å; D82-S84 PolarHBondContact OD1-N 2.89Å; D82-S84 PolarHBondContact OD1-OG 3.42Å; D82-S84 PolarHBondContact OD2-OG 3.27Å; S84-T86 PolarHBondContact O-N 3.05Å |
| 85 | P | 98.3 | Very high | 97.9 | Very high | 110 Ų | 110 | 46.8 Ų | 46.8 | 71% | 0.714 | 26% | 0.263 | S | S | * | . | trans | -51.5 | 131.2 | 170.4 | -25.8 | 35 | 0 | 0 | 0 | 112 | P129 | P85-P129 HydrophobicContact CB-CB 4.21Å; P85-P129 HydrophobicContact CG-CB 4.05Å; P85-P129 HydrophobicContact CG-CG 4.35Å | ||
| 86 | T | 98.5 | Very high | 97.9 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 17% | 0.166 | 26% | 0.263 | C | S | . | . | trans | -145.3 | 150.3 | -172 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | T79 S84 M88 D133 R136 | T79-T86 HydrophobicContact CG2-CG2 3.91Å; S84-T86 PolarHBondContact O-N 3.05Å; T86-M88 PolarHBondContact OG1-N 3.33Å; T86-D133 HydrophobicContact CG2-CB 3.79Å; T86-D133 WeakPolarHBondContact O-CB 3.26Å; T86-R136 PolarHBondContact O-NH2 3.43Å | ||
| 87 | T | 98.6 | Very high | 98 | Very high | 79 Ų | 79 | 46.5 Ų | 46.5 | 49% | 0.485 | 26% | 0.262 | S | S | . | . | trans | -119.2 | 6 | 167.2 | 56 | 0 | 0 | 0 | 0 | 112.5 | M89 S90 E91 D133 | T87-M89 VanDerWaalsContact C-N 3.34Å; T87-M89 PolarHBondContact O-N 3.48Å; T87-S90 PolarHBondContact O-N 3.28Å; T87-S90 PolarHBondContact O-OG 3.47Å; T87-E91 WeakPolarHBondContact O-CB 3.28Å; T87-E91 PolarHBondContact O-N 2.8Å; T87-D133 VanDerWaalsContact CA-OD1 3.26Å; T87-D133 WeakPolarHBondContact CA-OD1 3.35Å; T87-D133 WeakPolarHBondContact CA-OD2 3.35Å | ||
| 88 | M | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 15% | 0.148 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.3 | -39.3 | -166.4 | -177.8 | -81.2 | -61.9 | 0 | 0 | 112.4 | V57 L58 G78 T79 T86 G92 D133 | V57-M88 HydrophobicContact CG1-SD 4.06Å; L58-M88 HydrophobicContact CD1-CG 4.28Å; L58-M88 HydrophobicContact CD2-CG 4.44Å; L58-M88 HydrophobicContact CG-CG 4.44Å; G78-M88 WeakPolarHBondContact O-CE 3.3Å; T79-M88 HydrophobicContact CG2-CE 4.25Å; T86-M88 PolarHBondContact OG1-N 3.33Å; M88-G92 PolarHBondContact O-N 3.06Å; M88-D133 PolarHBondContact N-OD2 3.39Å |
| 89 | M | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.3 | -41.4 | -177.7 | -57.7 | -179.3 | -68 | 0 | 0 | 110.7 | L77 T87 T93 V130 D133 M137 | L77-M89 HydrophobicContact CB-CG 4.2Å; T87-M89 VanDerWaalsContact C-N 3.34Å; T87-M89 PolarHBondContact O-N 3.48Å; M89-T93 VanDerWaalsContact O-CB 3.23Å; M89-T93 WeakPolarHBondContact O-CB 3.47Å; M89-T93 PolarHBondContact O-N 2.87Å; M89-T93 PolarHBondContact O-OG1 3.11Å; M89-V130 HydrophobicContact CE-CG1 3.86Å; M89-D133 WeakPolarHBondContact CA-OD2 3.43Å; M89-D133 WeakPolarHBondContact CB-OD2 3.48Å; M89-D133 HydrophobicContact CE-CB 3.76Å; M89-D133 PolarHBondContact N-OD2 2.91Å; M89-M137 HydrophobicContact CB-SD 4.08Å |
| 90 | S | 98.9 | Very high | 98.2 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.7 | -44.7 | 179.6 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | T87 T93 K94 D133 R136 | T87-S90 PolarHBondContact O-N 3.28Å; T87-S90 PolarHBondContact O-OG 3.47Å; S90-T93 PolarHBondContact O-N 2.79Å; S90-K94 WeakPolarHBondContact O-CB 3.32Å; S90-K94 PolarHBondContact O-N 3.42Å; S90-D133 VanDerWaalsContact CB-OD1 3.23Å; S90-D133 WeakPolarHBondContact CB-OD1 3.39Å; S90-D133 PolarHBondContact N-OD2 2.94Å; S90-D133 PolarHBondContact OG-OD1 3.48Å; S90-R136 VanDerWaalsContact CB-CB 3.43Å |
| 91 | E | 98.9 | Very high | 98.4 | Very high | 79 Ų | 79 | 44.9 Ų | 44.9 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.8 | -40.7 | 176 | -71.1 | -59.6 | 131.4 | 0 | 0 | 111.6 | L58 T87 T93 K94 N95 | L58-E91 HydrophobicContact CD2-CB 3.74Å; T87-E91 WeakPolarHBondContact O-CB 3.28Å; T87-E91 PolarHBondContact O-N 2.8Å; E91-T93 VanDerWaalsContact C-N 3.34Å; E91-T93 PolarHBondContact O-N 2.84Å; E91-K94 WeakPolarHBondContact O-CB 3.44Å; E91-K94 PolarHBondContact O-N 3.18Å; E91-N95 PolarHBondContact O-N 2.98Å |
| 92 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M88 K94 N95 I96 | M88-G92 PolarHBondContact O-N 3.06Å; G92-K94 VanDerWaalsContact C-N 3.34Å; G92-K94 PolarHBondContact O-N 2.84Å; G92-N95 PolarHBondContact O-N 2.75Å; G92-I96 VanDerWaalsContact O-CG1 3.28Å; G92-I96 WeakPolarHBondContact O-CG1 3.28Å; G92-I96 PolarHBondContact O-N 3.2Å |
| 93 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 176.4 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | I75 M89 S90 E91 I96 V97 M137 V140 L141 | I75-T93 HydrophobicContact CD1-CG2 4.02Å; M89-T93 VanDerWaalsContact O-CB 3.23Å; M89-T93 WeakPolarHBondContact O-CB 3.47Å; M89-T93 PolarHBondContact O-N 2.87Å; M89-T93 PolarHBondContact O-OG1 3.11Å; S90-T93 PolarHBondContact O-N 2.79Å; E91-T93 VanDerWaalsContact C-N 3.34Å; E91-T93 PolarHBondContact O-N 2.84Å; T93-I96 PolarHBondContact O-N 3.2Å; T93-V97 HydrophobicContact CG2-CG2 4.27Å; T93-V97 WeakPolarHBondContact O-CB 3.36Å; T93-V97 WeakPolarHBondContact O-CG2 3.42Å; T93-V97 PolarHBondContact O-N 3.05Å; T93-M137 HydrophobicContact CG2-CG 4.1Å; T93-M137 WeakPolarHBondContact OG1-CG 3.37Å; T93-V140 HydrophobicContact CG2-CB 4.37Å; T93-V140 HydrophobicContact CG2-CG1 3.91Å; T93-L141 HydrophobicContact CG2-CD2 3.77Å; T93-L141 HydrophobicContact CG2-CG 3.85Å |
| 94 | K | 98.9 | Very high | 98.6 | Very high | 85 Ų | 85 | 44 Ų | 44 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 174.7 | -178.4 | -177.7 | 174.9 | -173.2 | 0 | 111.6 | S90 E91 G92 I96 V97 E98 V140 | S90-K94 WeakPolarHBondContact O-CB 3.32Å; S90-K94 PolarHBondContact O-N 3.42Å; E91-K94 WeakPolarHBondContact O-CB 3.44Å; E91-K94 PolarHBondContact O-N 3.18Å; G92-K94 VanDerWaalsContact C-N 3.34Å; G92-K94 PolarHBondContact O-N 2.84Å; K94-I96 VanDerWaalsContact C-N 3.32Å; K94-I96 PolarHBondContact O-N 2.92Å; K94-V97 PolarHBondContact O-N 3.5Å; K94-E98 WeakPolarHBondContact CE-OE1 3.22Å; K94-E98 WeakPolarHBondContact O-CB 3.47Å; K94-E98 WeakPolarHBondContact O-CG 3.47Å; K94-E98 PolarHBondContact O-N 3.41Å; K94-V140 HydrophobicContact CB-CG1 4.31Å |
| 95 | N | 98.9 | Very high | 98.6 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 6% | 0.059 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.5 | -43.1 | 175.1 | -69.4 | -19.9 | 0 | 0 | 0 | 111.8 | V57 L58 K60 V63 E91 G92 A99 | V57-N95 PolarHBondContact O-ND2 2.99Å; L58-N95 PolarHBondContact O-ND2 3.46Å; L58-N95 VanDerWaalsContact O-ND2 3.15Å; K60-N95 VanDerWaalsContact CE-OD1 3.29Å; K60-N95 WeakPolarHBondContact CE-OD1 3.21Å; K60-N95 HydrophobicContact CG-CB 4.5Å; K60-N95 WeakPolarHBondContact CG-OD1 3.4Å; V63-N95 HydrophobicContact CB-CB 4.48Å; V63-N95 HydrophobicContact CG1-CB 4.43Å; V63-N95 HydrophobicContact CG2-CB 4.1Å; E91-N95 PolarHBondContact O-N 2.98Å; G92-N95 PolarHBondContact O-N 2.75Å; N95-A99 WeakPolarHBondContact O-CB 3.15Å; N95-A99 PolarHBondContact O-N 2.89Å |
| 96 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -50.8 | 176.8 | -68.3 | 164.3 | 0 | 0 | 0 | 110.4 | F11 V57 V63 L67 V73 I75 L77 G92 T93 K94 E98 A99 M100 | F11-I96 HydrophobicContact CB-CD1 4.18Å; F11-I96 HydrophobicContact CD1-CD1 3.76Å; F11-I96 HydrophobicContact CD1-CG1 4.22Å; F11-I96 HydrophobicContact CD2-CD1 3.61Å; F11-I96 HydrophobicContact CD2-CG1 4.17Å; F11-I96 HydrophobicContact CE1-CD1 3.99Å; F11-I96 HydrophobicContact CE1-CG1 3.92Å; F11-I96 HydrophobicContact CE2-CD1 3.87Å; F11-I96 HydrophobicContact CE2-CG1 3.87Å; F11-I96 HydrophobicContact CE2-CG2 4.28Å; F11-I96 HydrophobicContact CG-CD1 3.56Å; F11-I96 HydrophobicContact CG-CG1 4.34Å; F11-I96 HydrophobicContact CZ-CD1 4.05Å; F11-I96 HydrophobicContact CZ-CG1 3.74Å; V57-I96 HydrophobicContact CG2-CD1 3.79Å; V57-I96 HydrophobicContact CG2-CG1 4.17Å; V63-I96 HydrophobicContact CG1-CB 4.4Å; V63-I96 HydrophobicContact CG1-CG1 3.9Å; L67-I96 HydrophobicContact CD1-CG2 4.44Å; V73-I96 HydrophobicContact CG1-CG2 3.93Å; I75-I96 HydrophobicContact CD1-CB 4.44Å; I75-I96 HydrophobicContact CD1-CD1 3.93Å; I75-I96 HydrophobicContact CD1-CG2 3.96Å; I75-I96 HydrophobicContact CG1-CD1 4.11Å; I75-I96 HydrophobicContact CG2-CD1 4.39Å; L77-I96 HydrophobicContact CD1-CD1 4.41Å; G92-I96 VanDerWaalsContact O-CG1 3.28Å; G92-I96 WeakPolarHBondContact O-CG1 3.28Å; G92-I96 PolarHBondContact O-N 3.2Å; T93-I96 PolarHBondContact O-N 3.2Å; K94-I96 VanDerWaalsContact C-N 3.32Å; K94-I96 PolarHBondContact O-N 2.92Å; I96-E98 PolarHBondContact O-N 2.67Å; I96-A99 PolarHBondContact O-N 2.91Å; I96-M100 HydrophobicContact CG2-CG 4.15Å; I96-M100 HydrophobicContact CG2-SD 3.83Å; I96-M100 WeakPolarHBondContact O-CB 3.23Å; I96-M100 VanDerWaalsContact O-CG 3.23Å; I96-M100 WeakPolarHBondContact O-CG 3.28Å; I96-M100 PolarHBondContact O-N 3.09Å |
| 97 | V | 98.9 | Very high | 98.7 | Very high | 9 Ų | 9 | 40.8 Ų | 40.8 | 6% | 0.055 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | -179.5 | 167.4 | 0 | 0 | 0 | 0 | 111.8 | T93 K94 M100 K101 V140 L141 L146 | T93-V97 HydrophobicContact CG2-CG2 4.27Å; T93-V97 WeakPolarHBondContact O-CB 3.36Å; T93-V97 WeakPolarHBondContact O-CG2 3.42Å; T93-V97 PolarHBondContact O-N 3.05Å; K94-V97 PolarHBondContact O-N 3.5Å; V97-M100 PolarHBondContact O-N 3.12Å; V97-K101 HydrophobicContact CG1-CD 4.27Å; V97-K101 WeakPolarHBondContact O-CB 3.4Å; V97-K101 WeakPolarHBondContact O-CG 3.49Å; V97-K101 PolarHBondContact O-N 3.15Å; V97-V140 HydrophobicContact CB-CG1 4.33Å; V97-V140 HydrophobicContact CG2-CG1 4Å; V97-L141 HydrophobicContact CG2-CD2 4.11Å; V97-L146 HydrophobicContact CB-CD1 4.41Å; V97-L146 HydrophobicContact CG1-CD1 4.11Å; V97-L146 HydrophobicContact CG2-CD1 4.02Å |
| 98 | E | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 37 Ų | 37 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.3 | -48.3 | 175.7 | -76.6 | 177.5 | -168.5 | 0 | 0 | 111.2 | K60 K94 I96 K101 A102 | K60-E98 IonicContact NZ-OE1 3.02Å; K60-E98 IonicContact NZ-OE2 3.39Å; K60-E98 PolarHBondContact NZ-OE2 3.32Å; K94-E98 WeakPolarHBondContact CE-OE1 3.22Å; K94-E98 WeakPolarHBondContact O-CB 3.47Å; K94-E98 WeakPolarHBondContact O-CG 3.47Å; K94-E98 PolarHBondContact O-N 3.41Å; I96-E98 PolarHBondContact O-N 2.67Å; E98-K101 PolarHBondContact O-N 3.02Å; E98-A102 PolarHBondContact O-N 2.99Å; E98-A102 VanDerWaalsContact O-N 3.09Å |
| 99 | A | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.9 | -36.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V63 R64 L67 N95 I96 A102 R103 | V63-A99 HydrophobicContact CG1-CB 4.02Å; R64-A99 HydrophobicContact CG-CB 4.11Å; L67-A99 HydrophobicContact CD1-CB 3.61Å; N95-A99 WeakPolarHBondContact O-CB 3.15Å; N95-A99 PolarHBondContact O-N 2.89Å; I96-A99 PolarHBondContact O-N 2.91Å; A99-A102 PolarHBondContact O-N 2.97Å; A99-R103 WeakPolarHBondContact O-CG 3.26Å; A99-R103 PolarHBondContact O-N 2.89Å |
| 100 | M | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.1 | -49.9 | 172.2 | -77.5 | -179.5 | 77 | 0 | 0 | 111.2 | L67 V73 I96 V97 A102 R103 G104 I105 K107 V108 L146 | L67-M100 HydrophobicContact CD1-CG 3.95Å; V73-M100 HydrophobicContact CB-CE 4.3Å; V73-M100 HydrophobicContact CB-SD 4.06Å; V73-M100 HydrophobicContact CG2-CE 3.94Å; V73-M100 HydrophobicContact CG2-CG 3.89Å; V73-M100 HydrophobicContact CG2-SD 3.69Å; I96-M100 HydrophobicContact CG2-CG 4.15Å; I96-M100 HydrophobicContact CG2-SD 3.83Å; I96-M100 WeakPolarHBondContact O-CB 3.23Å; I96-M100 VanDerWaalsContact O-CG 3.23Å; I96-M100 WeakPolarHBondContact O-CG 3.28Å; I96-M100 PolarHBondContact O-N 3.09Å; V97-M100 PolarHBondContact O-N 3.12Å; M100-A102 VanDerWaalsContact C-N 3.34Å; M100-A102 PolarHBondContact O-N 3.26Å; M100-R103 CarbonylContact O-C 3.51Å; M100-R103 PolarHBondContact O-N 2.99Å; M100-G104 PolarHBondContact O-N 2.85Å; M100-I105 HydrophobicContact CB-CB 4.04Å; M100-I105 HydrophobicContact CE-CB 4.05Å; M100-I105 HydrophobicContact CE-CG2 3.53Å; M100-I105 HydrophobicContact CG-CB 4.1Å; M100-I105 HydrophobicContact CG-CG2 4.25Å; M100-I105 PolarHBondContact O-N 3.34Å; M100-K107 VanDerWaalsContact CE-O 3.3Å; M100-K107 WeakPolarHBondContact CE-O 3.23Å; M100-V108 HydrophobicContact CE-CB 3.73Å; M100-V108 HydrophobicContact CE-CG1 4.27Å; M100-V108 HydrophobicContact SD-CB 3.98Å; M100-V108 HydrophobicContact SD-CG2 4.29Å; M100-L146 HydrophobicContact CB-CD1 4.22Å; M100-L146 HydrophobicContact CE-CD1 3.85Å; M100-L146 HydrophobicContact SD-CD1 3.78Å |
| 101 | K | 98.7 | Very high | 98.7 | Very high | 113 Ų | 113 | 35.9 Ų | 35.9 | 49% | 0.491 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 178.1 | -75.6 | 179.3 | 175.6 | -169.1 | 0 | 112 | V97 E98 R103 G104 S144 L146 | V97-K101 HydrophobicContact CG1-CD 4.27Å; V97-K101 WeakPolarHBondContact O-CB 3.4Å; V97-K101 WeakPolarHBondContact O-CG 3.49Å; V97-K101 PolarHBondContact O-N 3.15Å; E98-K101 PolarHBondContact O-N 3.02Å; K101-R103 PolarHBondContact O-N 3.34Å; K101-R103 VanDerWaalsContact O-N 3.12Å; K101-G104 PolarHBondContact O-N 3.42Å; K101-S144 WeakPolarHBondContact CE-O 3.4Å; K101-S144 PolarHBondContact NZ-O 3.35Å; K101-L146 HydrophobicContact CG-CD2 4.28Å |
| 102 | A | 98.4 | Very high | 98.6 | Very high | 82 Ų | 82 | 32.4 Ų | 32.4 | 68% | 0.678 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -62.8 | -17.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E98 A99 M100 | E98-A102 PolarHBondContact O-N 2.99Å; E98-A102 VanDerWaalsContact O-N 3.09Å; A99-A102 PolarHBondContact O-N 2.97Å; M100-A102 VanDerWaalsContact C-N 3.34Å; M100-A102 PolarHBondContact O-N 3.26Å |
| 103 | R | 97.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 33.3 Ų | 33.3 | 38% | 0.377 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -110.6 | -1.5 | -178.7 | -68.1 | 174 | 172.4 | 18.9 | 3.4 | 113.5 | R64 L67 A99 M100 K101 I105 | R64-R103 PolarHBondContact O-NE 2.95Å; R64-R103 PolarHBondContact O-NH2 3.11Å; L67-R103 VanDerWaalsContact O-CD 3.25Å; L67-R103 WeakPolarHBondContact O-CD 3.48Å; A99-R103 WeakPolarHBondContact O-CG 3.26Å; A99-R103 PolarHBondContact O-N 2.89Å; M100-R103 CarbonylContact O-C 3.51Å; M100-R103 PolarHBondContact O-N 2.99Å; K101-R103 PolarHBondContact O-N 3.34Å; K101-R103 VanDerWaalsContact O-N 3.12Å; R103-I105 HydrophobicContact CB-CD1 4.04Å; R103-I105 HydrophobicContact CB-CG1 3.84Å; R103-I105 PolarHBondContact O-N 3.35Å |
| 104 | G | 97.9 | Very high | 98.4 | Very high | 56 Ų | 56 | 33.4 Ų | 33.4 | 58% | 0.577 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 14.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | M100 K101 R106 | M100-G104 PolarHBondContact O-N 2.85Å; K101-G104 PolarHBondContact O-N 3.42Å; G104-R106 PolarHBondContact O-N 2.56Å |
| 105 | I | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | trans | -72.7 | 125 | 177.2 | -53.1 | 176.1 | 0 | 0 | 0 | 108.4 | L67 Q70 D71 V73 M100 R103 L146 | L67-I105 HydrophobicContact CB-CD1 4.15Å; L67-I105 HydrophobicContact CD2-CD1 4.33Å; Q70-I105 HydrophobicContact CB-CD1 4.08Å; Q70-I105 VanDerWaalsContact O-CD1 3.31Å; Q70-I105 WeakPolarHBondContact O-CD1 3.2Å; Q70-I105 VanDerWaalsContact O-CG1 3.31Å; Q70-I105 WeakPolarHBondContact O-CG1 3.39Å; D71-I105 WeakPolarHBondContact O-CG2 3.36Å; V73-I105 HydrophobicContact CG2-CG2 4.4Å; M100-I105 HydrophobicContact CB-CB 4.04Å; M100-I105 HydrophobicContact CE-CB 4.05Å; M100-I105 HydrophobicContact CE-CG2 3.53Å; M100-I105 HydrophobicContact CG-CB 4.1Å; M100-I105 HydrophobicContact CG-CG2 4.25Å; M100-I105 PolarHBondContact O-N 3.34Å; R103-I105 HydrophobicContact CB-CD1 4.04Å; R103-I105 HydrophobicContact CB-CG1 3.84Å; R103-I105 PolarHBondContact O-N 3.35Å; I105-L146 WeakPolarHBondContact O-CD2 3.37Å | ||
| 106 | R | 98.3 | Very high | 98.2 | Very high | 99 Ų | 99 | 32 Ų | 32 | 37% | 0.374 | 17% | 0.174 | S | C | . | . | trans | -101 | -43.4 | -170.1 | -75.8 | -57 | -47.8 | 159.5 | 0.7 | 114.2 | G104 G145 L146 D147 | G104-R106 PolarHBondContact O-N 2.56Å; R106-G145 VanDerWaalsContact CZ-O 3.23Å; R106-G145 PolarHBondContact NH1-O 2.92Å; R106-G145 PolarHBondContact NH2-O 3.32Å; R106-L146 VanDerWaalsContact NH2-CA 3.26Å; R106-D147 WeakPolarHBondContact CB-OD2 3.36Å; R106-D147 IonicContact CZ-OD1 3.89Å; R106-D147 IonicContact CZ-OD2 3.42Å; R106-D147 IonicContact NE-OD2 2.93Å; R106-D147 PolarHBondContact NE-OD2 3.33Å; R106-D147 VanDerWaalsContact NH2-N 3.17Å; R106-D147 IonicContact NH2-OD1 2.83Å; R106-D147 PolarHBondContact NH2-OD1 2.68Å; R106-D147 IonicContact NH2-OD2 3.06Å; R106-D147 PolarHBondContact NH2-OD2 2.94Å; R106-D147 PolarHBondContact O-N 3.43Å | ||
| 107 | K | 98.6 | Very high | 98 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 7% | 0.065 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.9 | -169.6 | -175.1 | 72.9 | 170.1 | -161.2 | 0 | 111.7 | I5 A72 V73 M100 I109 C190 T193 D197 | I5-K107 HydrophobicContact CD1-CB 4.12Å; I5-K107 HydrophobicContact CD1-CG 3.95Å; A72-K107 WeakPolarHBondContact CA-O 3.45Å; A72-K107 HydrophobicContact CB-CB 3.88Å; A72-K107 HydrophobicContact CB-CG 4.01Å; V73-K107 PolarHBondContact N-O 2.99Å; M100-K107 VanDerWaalsContact CE-O 3.3Å; M100-K107 WeakPolarHBondContact CE-O 3.23Å; K107-I109 HydrophobicContact CD-CD1 4.49Å; K107-I109 HydrophobicContact CG-CD1 4Å; K107-C190 WeakPolarHBondContact CE-O 3.31Å; K107-C190 PolarHBondContact NZ-O 2.69Å; K107-T193 PolarHBondContact NZ-O 3.49Å; K107-D197 IonicContact NZ-OD1 2.99Å; K107-D197 PolarHBondContact NZ-OD1 3.05Å; K107-D197 IonicContact NZ-OD2 2.69Å |
| 108 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 131.9 | 173.7 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | V73 I75 M100 L141 L146 D147 Y148 V149 | V73-V108 HydrophobicContact CB-CB 4.49Å; V73-V108 HydrophobicContact CB-CG2 4.25Å; V73-V108 HydrophobicContact CG1-CG2 4.47Å; V73-V108 CarbonylContact O-C 3.6Å; V73-V108 VanDerWaalsContact O-CA 3.3Å; V73-V108 WeakPolarHBondContact O-CA 3.23Å; I75-V108 HydrophobicContact CD1-CG2 3.66Å; I75-V108 HydrophobicContact CG1-CG2 3.99Å; M100-V108 HydrophobicContact CE-CB 3.73Å; M100-V108 HydrophobicContact CE-CG1 4.27Å; M100-V108 HydrophobicContact SD-CB 3.98Å; M100-V108 HydrophobicContact SD-CG2 4.29Å; V108-L141 HydrophobicContact CG1-CD2 3.93Å; V108-L141 HydrophobicContact CG2-CD2 3.98Å; V108-L146 HydrophobicContact CG1-CB 4.05Å; V108-L146 HydrophobicContact CG1-CD1 4.07Å; V108-D147 PolarHBondContact N-O 2.77Å; V108-Y148 CarbonylContact O-C 3.5Å; V108-Y148 WeakPolarHBondContact O-CA 3.14Å; V108-V149 PolarHBondContact O-N 2.92Å |
| 109 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 113.6 | 175.7 | -56.9 | 89.9 | 0 | 0 | 0 | 107.6 | V73 I74 I75 K107 V149 V151 F187 C190 L191 | V73-I109 PolarHBondContact O-N 2.9Å; I74-I109 CarbonylContact C-O 3.58Å; I74-I109 WeakPolarHBondContact CA-O 3.5Å; I74-I109 HydrophobicContact CG1-CB 4.44Å; I74-I109 HydrophobicContact CG1-CD1 4.29Å; I75-I109 PolarHBondContact N-O 3.49Å; K107-I109 HydrophobicContact CD-CD1 4.49Å; K107-I109 HydrophobicContact CG-CD1 4Å; I109-V149 HydrophobicContact CB-CB 4.46Å; I109-V149 HydrophobicContact CG1-CB 4.14Å; I109-V149 HydrophobicContact CG1-CG2 4.15Å; I109-V149 HydrophobicContact CG2-CB 4.22Å; I109-V151 HydrophobicContact CG2-CG2 3.81Å; I109-F187 HydrophobicContact CG2-CB 4.47Å; I109-F187 HydrophobicContact CG2-CD1 3.55Å; I109-F187 HydrophobicContact CG2-CE1 4.24Å; I109-F187 HydrophobicContact CG2-CG 4.4Å; I109-C190 HydrophobicContact CD1-CB 4.34Å; I109-C190 HydrophobicContact CG1-CB 3.67Å; I109-C190 HydrophobicContact CG2-CB 4.45Å; I109-L191 HydrophobicContact CD1-CD2 3.68Å; I109-L191 HydrophobicContact CD1-CG 4.39Å |
| 110 | G | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 137.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M112 V149 V151 | G110-M112 WeakPolarHBondContact O-CE 3.38Å; G110-V149 PolarHBondContact N-O 2.84Å; G110-V151 WeakPolarHBondContact O-CB 3.5Å; G110-V151 PolarHBondContact O-N 2.88Å |
| 111 | C | 98.8 | Very high | 96.6 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.6 | 165 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | I75 I76 F187 | I75-C111 PolarHBondContact O-N 3.48Å; I76-C111 HydrophobicContact CG2-CB 4.46Å; C111-F187 HydrophobicContact CB-CE1 4.12Å; C111-F187 HydrophobicContact CB-CE2 4.42Å; C111-F187 HydrophobicContact CB-CZ 3.57Å |
| 112 | M | 97.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | trans | -121.7 | -129.1 | 167.6 | -70.5 | 123.3 | -81.5 | 0 | 0 | 108 | G110 L116 H134 M137 Y138 L141 A150 V151 | G110-M112 WeakPolarHBondContact O-CE 3.38Å; M112-L116 HydrophobicContact CB-CD2 4.32Å; M112-L116 HydrophobicContact CG-CD2 4.48Å; M112-H134 HydrophobicContact CB-CB 4.18Å; M112-H134 HydrophobicContact CG-CB 4.24Å; M112-M137 HydrophobicContact CE-CE 4.32Å; M112-M137 HydrophobicContact CG-CE 4.49Å; M112-M137 HydrophobicContact CG-CG 4.4Å; M112-M137 HydrophobicContact CG-SD 4.19Å; M112-Y138 HydrophobicContact SD-CD2 4.04Å; M112-Y138 HydrophobicContact SD-CG 4.42Å; M112-L141 HydrophobicContact CE-CD1 4.01Å; M112-L141 HydrophobicContact SD-CD1 4.37Å; M112-A150 HydrophobicContact CE-CB 4Å; M112-A150 HydrophobicContact SD-CB 4.11Å; M112-V151 PolarHBondContact N-O 3.23Å | ||
| 113 | S | 96.9 | Very high | 96.2 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | trans | -146 | 148.4 | -179.2 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | F115 L116 | S113-F115 PolarHBondContact O-N 2.83Å; S113-F115 VanDerWaalsContact O-N 3.07Å; S113-F115 WeakPolarHBondContact OG-CD2 3.48Å; S113-F115 PolarHBondContact OG-N 2.84Å; S113-L116 PolarHBondContact O-N 2.89Å; S113-L116 VanDerWaalsContact O-N 3.11Å | ||
| 114 | A | 96.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -52.8 | -21.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L116 L117 W118 P153 P154 L173 | A114-L116 PolarHBondContact O-N 2.79Å; A114-L116 VanDerWaalsContact O-N 3.14Å; A114-L117 WeakPolarHBondContact O-CA 3.24Å; A114-L117 WeakPolarHBondContact O-CB 3.49Å; A114-L117 PolarHBondContact O-N 2.91Å; A114-W118 HydrophobicContact CB-CZ2 4.13Å; A114-W118 PolarHBondContact O-N 2.84Å; A114-P153 WeakPolarHBondContact CB-O 3.41Å; A114-P153 PolarHBondContact N-O 2.84Å; A114-P154 HydrophobicContact CB-CB 4.38Å; A114-L173 HydrophobicContact CB-CD2 3.41Å; A114-L173 VanDerWaalsContact CB-CD2 3.41Å |
| 115 | F | 96.7 | Very high | 96.1 | Very high | 36 Ų | 36 | 46.2 Ų | 46.2 | 16% | 0.158 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -59 | -23.5 | 175 | -68.2 | -50.2 | 0 | 0 | 0 | 113.6 | S113 L117 W118 V123 P124 L127 T131 | S113-F115 PolarHBondContact O-N 2.83Å; S113-F115 VanDerWaalsContact O-N 3.07Å; S113-F115 WeakPolarHBondContact OG-CD2 3.48Å; S113-F115 PolarHBondContact OG-N 2.84Å; F115-L117 VanDerWaalsContact C-N 3.26Å; F115-L117 PolarHBondContact O-N 2.83Å; F115-W118 AromaticContact CD1-CE3 3.62Å; F115-W118 HydrophobicContact CD1-CE3 3.62Å; F115-W118 AromaticContact CD1-CZ3 3.85Å; F115-W118 HydrophobicContact CD1-CZ3 3.85Å; F115-W118 AromaticContact CE1-CE3 3.84Å; F115-W118 HydrophobicContact CE1-CE3 3.84Å; F115-W118 AromaticContact CE1-CZ3 3.61Å; F115-W118 HydrophobicContact CE1-CZ3 3.61Å; F115-W118 PolarHBondContact O-N 2.98Å; F115-V123 HydrophobicContact CB-CG2 3.88Å; F115-V123 HydrophobicContact CD1-CB 4.44Å; F115-V123 HydrophobicContact CD1-CG1 4.36Å; F115-V123 HydrophobicContact CD1-CG2 3.92Å; F115-V123 HydrophobicContact CD2-CG1 4.47Å; F115-V123 HydrophobicContact CG-CG1 4.25Å; F115-V123 HydrophobicContact CG-CG2 4.05Å; F115-P124 HydrophobicContact CZ-CG 4.45Å; F115-L127 HydrophobicContact CE2-CB 4.42Å; F115-L127 HydrophobicContact CE2-CD1 3.53Å; F115-L127 HydrophobicContact CZ-CD1 3.65Å; F115-T131 HydrophobicContact CB-CG2 3.68Å |
| 116 | L | 96.8 | Very high | 96 | Very high | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.168 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -75.6 | -14 | 173.8 | -86.5 | 62.7 | 0 | 0 | 0 | 113.1 | M112 S113 A114 T131 H134 D135 Y138 M152 | M112-L116 HydrophobicContact CB-CD2 4.32Å; M112-L116 HydrophobicContact CG-CD2 4.48Å; S113-L116 PolarHBondContact O-N 2.89Å; S113-L116 VanDerWaalsContact O-N 3.11Å; A114-L116 PolarHBondContact O-N 2.79Å; A114-L116 VanDerWaalsContact O-N 3.14Å; L116-T131 HydrophobicContact CD1-CG2 3.73Å; L116-H134 HydrophobicContact CD1-CB 3.78Å; L116-H134 HydrophobicContact CD2-CB 4.33Å; L116-D135 WeakPolarHBondContact CG-OD1 3.42Å; L116-Y138 HydrophobicContact CD2-CD1 4.38Å; L116-Y138 HydrophobicContact CD2-CG 4.08Å; L116-M152 HydrophobicContact CB-CE 3.51Å; L116-M152 HydrophobicContact CB-SD 3.53Å; L116-M152 VanDerWaalsContact CB-SD 3.53Å; L116-M152 HydrophobicContact CD2-CE 3.7Å; L116-M152 HydrophobicContact CG-CE 4.27Å |
| 117 | L | 94.4 | Very high | 96 | Very high | 46 Ų | 46 | 50.9 Ų | 50.9 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -92.7 | -10.5 | 172.8 | -62.4 | 177.1 | 0 | 0 | 0 | 112.8 | A114 F115 M152 L173 T200 | A114-L117 WeakPolarHBondContact O-CA 3.24Å; A114-L117 WeakPolarHBondContact O-CB 3.49Å; A114-L117 PolarHBondContact O-N 2.91Å; F115-L117 VanDerWaalsContact C-N 3.26Å; F115-L117 PolarHBondContact O-N 2.83Å; L117-M152 HydrophobicContact CD1-CB 3.84Å; L117-M152 HydrophobicContact CD1-SD 4.28Å; L117-M152 HydrophobicContact CD2-SD 3.53Å; L117-M152 VanDerWaalsContact CD2-SD 3.53Å; L117-M152 HydrophobicContact CG-CB 4.02Å; L117-M152 HydrophobicContact CG-CG 4.4Å; L117-M152 HydrophobicContact CG-SD 3.48Å; L117-M152 WeakPolarHBondContact CG-SD 3.47Å; L117-L173 HydrophobicContact CD1-CB 3.87Å; L117-T200 HydrophobicContact CD2-CG2 3.68Å |
| 118 | W | 89.3 | Confident | 95.9 | Very high | 102 Ų | 102 | 52 Ų | 52 | 39% | 0.386 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -107.3 | 162.9 | -173 | -62.5 | -8.6 | 0 | 0 | 0 | 111 | A114 F115 R120 L173 | A114-W118 HydrophobicContact CB-CZ2 4.13Å; A114-W118 PolarHBondContact O-N 2.84Å; F115-W118 AromaticContact CD1-CE3 3.62Å; F115-W118 HydrophobicContact CD1-CE3 3.62Å; F115-W118 AromaticContact CD1-CZ3 3.85Å; F115-W118 HydrophobicContact CD1-CZ3 3.85Å; F115-W118 AromaticContact CE1-CE3 3.84Å; F115-W118 HydrophobicContact CE1-CE3 3.84Å; F115-W118 AromaticContact CE1-CZ3 3.61Å; F115-W118 HydrophobicContact CE1-CZ3 3.61Å; F115-W118 PolarHBondContact O-N 2.98Å; W118-R120 PolarHBondContact O-N 2.87Å; W118-L173 HydrophobicContact CZ2-CD2 3.78Å |
| 119 | D | 91.3 | Very high | 95.9 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | trans | -56.7 | 128.5 | 167.6 | -174.2 | -23.2 | 0 | 0 | 0 | 109.8 | A121 K122 | D119-A121 PolarHBondContact O-N 2.85Å; D119-A121 VanDerWaalsContact O-N 3.16Å; D119-A121 WeakPolarHBondContact OD1-CB 3.29Å; D119-A121 PolarHBondContact OD1-N 3.28Å; D119-K122 HydrophobicContact CB-CD 4.17Å; D119-K122 HydrophobicContact CB-CG 4.19Å; D119-K122 WeakPolarHBondContact O-CB 3.48Å; D119-K122 PolarHBondContact O-N 2.81Å | ||
| 120 | R | 92.6 | Very high | 95.9 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -54.8 | -33.1 | 179.2 | -176.3 | 53.8 | 48.7 | 143.3 | 2.7 | 112.2 | W118 K122 V123 D135 | W118-R120 PolarHBondContact O-N 2.87Å; R120-K122 PolarHBondContact O-N 3.27Å; R120-K122 VanDerWaalsContact O-N 3.15Å; R120-V123 WeakPolarHBondContact O-CB 2.91Å; R120-V123 WeakPolarHBondContact O-CG2 3.4Å; R120-V123 PolarHBondContact O-N 3.35Å; R120-V123 VanDerWaalsContact O-N 3.12Å; R120-D135 IonicContact CZ-OD2 3.6Å; R120-D135 IonicContact NH1-OD2 3.88Å; R120-D135 PolarHBondContact NH1-OD2 3.35Å; R120-D135 IonicContact NH2-OD1 3.51Å; R120-D135 PolarHBondContact NH2-OD1 2.92Å; R120-D135 IonicContact NH2-OD2 3.78Å; R120-D135 PolarHBondContact NH2-OD2 3.3Å |
| 121 | A | 93.9 | Very high | 95.8 | Very high | 88 Ų | 88 | 54 Ų | 54 | 73% | 0.727 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -63.8 | -17.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D119 | D119-A121 PolarHBondContact O-N 2.85Å; D119-A121 VanDerWaalsContact O-N 3.16Å; D119-A121 WeakPolarHBondContact OD1-CB 3.29Å; D119-A121 PolarHBondContact OD1-N 3.28Å |
| 122 | K | 91.6 | Very high | 95.8 | Very high | 148 Ų | 148 | 57.8 Ų | 57.8 | 64% | 0.643 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -91.8 | -4.3 | 178.3 | -61 | 179.9 | -178.3 | 175.3 | 0 | 113.4 | D119 R120 P124 | D119-K122 HydrophobicContact CB-CD 4.17Å; D119-K122 HydrophobicContact CB-CG 4.19Å; D119-K122 WeakPolarHBondContact O-CB 3.48Å; D119-K122 PolarHBondContact O-N 2.81Å; R120-K122 PolarHBondContact O-N 3.27Å; R120-K122 VanDerWaalsContact O-N 3.15Å; K122-P124 WeakPolarHBondContact O-CD 3.42Å |
| 123 | V | 95.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -75.1 | 123.8 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | F115 R120 L127 V128 T131 | F115-V123 HydrophobicContact CB-CG2 3.88Å; F115-V123 HydrophobicContact CD1-CB 4.44Å; F115-V123 HydrophobicContact CD1-CG1 4.36Å; F115-V123 HydrophobicContact CD1-CG2 3.92Å; F115-V123 HydrophobicContact CD2-CG1 4.47Å; F115-V123 HydrophobicContact CG-CG1 4.25Å; F115-V123 HydrophobicContact CG-CG2 4.05Å; R120-V123 WeakPolarHBondContact O-CB 2.91Å; R120-V123 WeakPolarHBondContact O-CG2 3.4Å; R120-V123 PolarHBondContact O-N 3.35Å; R120-V123 VanDerWaalsContact O-N 3.12Å; V123-L127 HydrophobicContact CG1-CB 4.19Å; V123-V128 HydrophobicContact CB-CG2 4.41Å; V123-V128 HydrophobicContact CG1-CG2 4.05Å; V123-T131 HydrophobicContact CG1-CG2 4.44Å; V123-T131 HydrophobicContact CG2-CG2 4.46Å |
| 124 | P | 96.6 | Very high | 96 | Very high | 49 Ų | 49 | 57.6 Ų | 57.6 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | trans | -54.7 | 134 | 176 | -26.9 | 35.3 | 0 | 0 | 0 | 111 | F115 K122 R126 L127 V128 | F115-P124 HydrophobicContact CZ-CG 4.45Å; K122-P124 WeakPolarHBondContact O-CD 3.42Å; P124-R126 PolarHBondContact O-N 2.89Å; P124-L127 HydrophobicContact CB-CD1 4.19Å; P124-L127 HydrophobicContact CB-CG 4.28Å; P124-L127 HydrophobicContact CG-CD1 3.99Å; P124-L127 WeakPolarHBondContact O-CA 3.37Å; P124-L127 WeakPolarHBondContact O-CB 3.38Å; P124-L127 PolarHBondContact O-N 2.96Å; P124-V128 PolarHBondContact O-N 3.33Å | ||
| 125 | P | 97.1 | Very high | 96.1 | Very high | 117 Ų | 117 | 59.7 Ų | 59.7 | 76% | 0.76 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -51.7 | -39.4 | -173.7 | -31.7 | 35.9 | 0 | 0 | 0 | 114.3 | L127 V128 | P125-L127 PolarHBondContact O-N 2.79Å; P125-V128 WeakPolarHBondContact O-CB 3.44Å; P125-V128 PolarHBondContact O-N 3.39Å |
| 126 | R | 97 | Very high | 96.2 | Very high | 171 Ų | 171 | 62.3 Ų | 62.3 | 65% | 0.645 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -63.6 | -18.9 | 177.2 | 73.5 | -176.1 | -179.6 | 106.4 | -2.8 | 114.6 | L83 P124 | L83-R126 WeakPolarHBondContact CB-O 3.32Å; L83-R126 HydrophobicContact CD1-CB 4.46Å; L83-R126 HydrophobicContact CD1-CG 4.23Å; P124-R126 PolarHBondContact O-N 2.89Å |
| 127 | L | 97.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 60.8 Ų | 60.8 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -101.4 | -7.6 | -179.5 | -60 | 179.8 | 0 | 0 | 0 | 112.3 | L83 F115 V123 P124 P125 V130 T131 | L83-L127 HydrophobicContact CD1-CD2 3.89Å; L83-L127 HydrophobicContact CD2-CD2 3.7Å; L83-L127 HydrophobicContact CG-CD2 4.41Å; F115-L127 HydrophobicContact CE2-CB 4.42Å; F115-L127 HydrophobicContact CE2-CD1 3.53Å; F115-L127 HydrophobicContact CZ-CD1 3.65Å; V123-L127 HydrophobicContact CG1-CB 4.19Å; P124-L127 HydrophobicContact CB-CD1 4.19Å; P124-L127 HydrophobicContact CB-CG 4.28Å; P124-L127 HydrophobicContact CG-CD1 3.99Å; P124-L127 WeakPolarHBondContact O-CA 3.37Å; P124-L127 WeakPolarHBondContact O-CB 3.38Å; P124-L127 PolarHBondContact O-N 2.96Å; P125-L127 PolarHBondContact O-N 2.79Å; L127-V130 PolarHBondContact O-N 3.19Å; L127-T131 WeakPolarHBondContact O-CB 3.49Å; L127-T131 PolarHBondContact O-N 3.48Å; L127-T131 PolarHBondContact O-OG1 3.32Å |
| 128 | V | 97.6 | Very high | 96.5 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.2 | -48.8 | -179.4 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | V123 P124 P125 V130 T131 E132 | V123-V128 HydrophobicContact CB-CG2 4.41Å; V123-V128 HydrophobicContact CG1-CG2 4.05Å; P124-V128 PolarHBondContact O-N 3.33Å; P125-V128 WeakPolarHBondContact O-CB 3.44Å; P125-V128 PolarHBondContact O-N 3.39Å; V128-V130 VanDerWaalsContact C-N 3.33Å; V128-V130 PolarHBondContact O-N 2.99Å; V128-T131 PolarHBondContact O-N 3.25Å; V128-E132 HydrophobicContact CG1-CG 4.19Å; V128-E132 WeakPolarHBondContact O-CG 3.35Å; V128-E132 PolarHBondContact O-N 3.15Å |
| 129 | P | 98.2 | Very high | 96.9 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 17% | 0.169 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -37.4 | -175.5 | -20 | 31.7 | 0 | 0 | 0 | 113.5 | P85 D133 | P85-P129 HydrophobicContact CB-CB 4.21Å; P85-P129 HydrophobicContact CG-CB 4.05Å; P85-P129 HydrophobicContact CG-CG 4.35Å; P129-D133 PolarHBondContact O-N 3.35Å |
| 130 | V | 98.3 | Very high | 97.3 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.7 | -37.2 | 174.7 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | L83 M89 L127 V128 D133 H134 | L83-V130 HydrophobicContact CD2-CG2 4.11Å; M89-V130 HydrophobicContact CE-CG1 3.86Å; L127-V130 PolarHBondContact O-N 3.19Å; V128-V130 VanDerWaalsContact C-N 3.33Å; V128-V130 PolarHBondContact O-N 2.99Å; V130-D133 PolarHBondContact O-N 3.11Å; V130-H134 PolarHBondContact O-N 3.33Å; V130-H134 PolarHBondContact O-ND1 2.85Å |
| 131 | T | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 177.7 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | F115 L116 V123 L127 V128 D133 H134 D135 | F115-T131 HydrophobicContact CB-CG2 3.68Å; L116-T131 HydrophobicContact CD1-CG2 3.73Å; V123-T131 HydrophobicContact CG1-CG2 4.44Å; V123-T131 HydrophobicContact CG2-CG2 4.46Å; L127-T131 WeakPolarHBondContact O-CB 3.49Å; L127-T131 PolarHBondContact O-N 3.48Å; L127-T131 PolarHBondContact O-OG1 3.32Å; V128-T131 PolarHBondContact O-N 3.25Å; T131-D133 PolarHBondContact O-N 3.04Å; T131-H134 CarbonylContact O-C 3.57Å; T131-H134 WeakPolarHBondContact O-CA 3.43Å; T131-H134 WeakPolarHBondContact O-CB 3.44Å; T131-H134 PolarHBondContact O-N 3.27Å; T131-H134 VanDerWaalsContact O-N 3.11Å; T131-D135 PolarHBondContact O-N 3.27Å; T131-D135 VanDerWaalsContact O-OD2 3.09Å |
| 132 | E | 98.5 | Very high | 97.8 | Very high | 88 Ų | 88 | 53 Ų | 53 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.1 | -34.7 | 173.1 | -72.5 | 175.1 | 171.1 | 0 | 0 | 112.3 | V128 D135 R136 | V128-E132 HydrophobicContact CG1-CG 4.19Å; V128-E132 WeakPolarHBondContact O-CG 3.35Å; V128-E132 PolarHBondContact O-N 3.15Å; E132-D135 WeakPolarHBondContact CA-OD2 3.33Å; E132-D135 WeakPolarHBondContact O-CB 3.3Å; E132-D135 PolarHBondContact O-N 3.44Å; E132-R136 PolarHBondContact O-N 3.24Å; E132-R136 VanDerWaalsContact O-N 3.11Å; E132-R136 PolarHBondContact O-NH1 2.88Å |
| 133 | D | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.2 | -32.7 | 174.5 | -155.7 | 39.1 | 0 | 0 | 0 | 112.9 | T86 T87 M88 M89 S90 P129 V130 T131 D135 R136 M137 | T86-D133 HydrophobicContact CG2-CB 3.79Å; T86-D133 WeakPolarHBondContact O-CB 3.26Å; T87-D133 VanDerWaalsContact CA-OD1 3.26Å; T87-D133 WeakPolarHBondContact CA-OD1 3.35Å; T87-D133 WeakPolarHBondContact CA-OD2 3.35Å; M88-D133 PolarHBondContact N-OD2 3.39Å; M89-D133 WeakPolarHBondContact CA-OD2 3.43Å; M89-D133 WeakPolarHBondContact CB-OD2 3.48Å; M89-D133 HydrophobicContact CE-CB 3.76Å; M89-D133 PolarHBondContact N-OD2 2.91Å; S90-D133 VanDerWaalsContact CB-OD1 3.23Å; S90-D133 WeakPolarHBondContact CB-OD1 3.39Å; S90-D133 PolarHBondContact N-OD2 2.94Å; S90-D133 PolarHBondContact OG-OD1 3.48Å; P129-D133 PolarHBondContact O-N 3.35Å; V130-D133 PolarHBondContact O-N 3.11Å; T131-D133 PolarHBondContact O-N 3.04Å; D133-D135 VanDerWaalsContact C-N 3.32Å; D133-R136 VanDerWaalsContact CA-NH2 3.28Å; D133-R136 VanDerWaalsContact CB-NH2 3.28Å; D133-R136 PolarHBondContact O-N 3.06Å; D133-R136 IonicContact OD1-CZ 2.57Å; D133-R136 IonicContact OD1-NE 2.58Å; D133-R136 PolarHBondContact OD1-NE 3.5Å; D133-R136 IonicContact OD1-NH2 3.41Å; D133-R136 PolarHBondContact OD1-NH2 2.93Å; D133-M137 VanDerWaalsContact O-CB 3.31Å; D133-M137 WeakPolarHBondContact O-CB 3.3Å; D133-M137 PolarHBondContact O-N 2.93Å |
| 134 | H | 98.8 | Very high | 98.2 | Very high | 22 Ų | 22 | 51 Ų | 51 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -37 | 167.3 | -73.9 | 136.6 | 0 | 0 | 0 | 112.2 | M112 L116 V130 T131 M137 Y138 | M112-H134 HydrophobicContact CB-CB 4.18Å; M112-H134 HydrophobicContact CG-CB 4.24Å; L116-H134 HydrophobicContact CD1-CB 3.78Å; L116-H134 HydrophobicContact CD2-CB 4.33Å; V130-H134 PolarHBondContact O-N 3.33Å; V130-H134 PolarHBondContact O-ND1 2.85Å; T131-H134 CarbonylContact O-C 3.57Å; T131-H134 WeakPolarHBondContact O-CA 3.43Å; T131-H134 WeakPolarHBondContact O-CB 3.44Å; T131-H134 PolarHBondContact O-N 3.27Å; T131-H134 VanDerWaalsContact O-N 3.11Å; H134-M137 PolarHBondContact O-N 2.91Å; H134-Y138 VanDerWaalsContact O-CB 3.26Å; H134-Y138 WeakPolarHBondContact O-CB 3.39Å; H134-Y138 PolarHBondContact O-N 3.16Å |
| 135 | D | 98.6 | Very high | 98.3 | Very high | 46 Ų | 46 | 50 Ų | 50 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 174.2 | -66.8 | -56.3 | 0 | 0 | 0 | 111.5 | L116 R120 T131 E132 D133 Y138 T139 | L116-D135 WeakPolarHBondContact CG-OD1 3.42Å; R120-D135 IonicContact CZ-OD2 3.6Å; R120-D135 IonicContact NH1-OD2 3.88Å; R120-D135 PolarHBondContact NH1-OD2 3.35Å; R120-D135 IonicContact NH2-OD1 3.51Å; R120-D135 PolarHBondContact NH2-OD1 2.92Å; R120-D135 IonicContact NH2-OD2 3.78Å; R120-D135 PolarHBondContact NH2-OD2 3.3Å; T131-D135 PolarHBondContact O-N 3.27Å; T131-D135 VanDerWaalsContact O-OD2 3.09Å; E132-D135 WeakPolarHBondContact CA-OD2 3.33Å; E132-D135 WeakPolarHBondContact O-CB 3.3Å; E132-D135 PolarHBondContact O-N 3.44Å; D133-D135 VanDerWaalsContact C-N 3.32Å; D135-Y138 PolarHBondContact O-N 2.85Å; D135-T139 WeakPolarHBondContact O-CB 3.34Å; D135-T139 PolarHBondContact O-N 3.05Å; D135-T139 PolarHBondContact O-OG1 3.36Å |
| 136 | R | 98.8 | Very high | 98.4 | Very high | 90 Ų | 90 | 44.5 Ų | 44.5 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.6 | -47.1 | 175.5 | -72.5 | -174.5 | -67.9 | -86.3 | 4.2 | 111.4 | T86 S90 E132 D133 Y138 T139 V140 | T86-R136 PolarHBondContact O-NH2 3.43Å; S90-R136 VanDerWaalsContact CB-CB 3.43Å; E132-R136 PolarHBondContact O-N 3.24Å; E132-R136 VanDerWaalsContact O-N 3.11Å; E132-R136 PolarHBondContact O-NH1 2.88Å; D133-R136 VanDerWaalsContact CA-NH2 3.28Å; D133-R136 VanDerWaalsContact CB-NH2 3.28Å; D133-R136 PolarHBondContact O-N 3.06Å; D133-R136 IonicContact OD1-CZ 2.57Å; D133-R136 IonicContact OD1-NE 2.58Å; D133-R136 PolarHBondContact OD1-NE 3.5Å; D133-R136 IonicContact OD1-NH2 3.41Å; D133-R136 PolarHBondContact OD1-NH2 2.93Å; R136-Y138 VanDerWaalsContact C-N 3.34Å; R136-Y138 PolarHBondContact O-N 3.11Å; R136-T139 WeakPolarHBondContact O-CB 3.43Å; R136-T139 PolarHBondContact O-N 3.25Å; R136-V140 WeakPolarHBondContact O-CG2 3.35Å; R136-V140 PolarHBondContact O-N 3.34Å |
| 137 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57 | -46.6 | 174.9 | 172.8 | 176.6 | 174.8 | 0 | 0 | 111.6 | I75 M89 T93 M112 D133 H134 T139 V140 L141 | I75-M137 HydrophobicContact CB-CE 4.1Å; I75-M137 HydrophobicContact CG2-CE 3.62Å; M89-M137 HydrophobicContact CB-SD 4.08Å; T93-M137 HydrophobicContact CG2-CG 4.1Å; T93-M137 WeakPolarHBondContact OG1-CG 3.37Å; M112-M137 HydrophobicContact CE-CE 4.32Å; M112-M137 HydrophobicContact CG-CE 4.49Å; M112-M137 HydrophobicContact CG-CG 4.4Å; M112-M137 HydrophobicContact CG-SD 4.19Å; D133-M137 VanDerWaalsContact O-CB 3.31Å; D133-M137 WeakPolarHBondContact O-CB 3.3Å; D133-M137 PolarHBondContact O-N 2.93Å; H134-M137 PolarHBondContact O-N 2.91Å; M137-T139 VanDerWaalsContact C-N 3.33Å; M137-T139 PolarHBondContact O-N 3.12Å; M137-V140 PolarHBondContact O-N 3.46Å; M137-L141 HydrophobicContact CE-CD1 4.3Å; M137-L141 PolarHBondContact O-N 3.11Å |
| 138 | Y | 98.8 | Very high | 98.5 | Very high | 37 Ų | 37 | 37.3 Ų | 37.3 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.7 | 174.4 | -115.8 | 0 | 0 | 0 | 111.4 | M112 L116 H134 D135 R136 V140 L141 K142 Y148 A150 M152 T200 | M112-Y138 HydrophobicContact SD-CD2 4.04Å; M112-Y138 HydrophobicContact SD-CG 4.42Å; L116-Y138 HydrophobicContact CD2-CD1 4.38Å; L116-Y138 HydrophobicContact CD2-CG 4.08Å; H134-Y138 VanDerWaalsContact O-CB 3.26Å; H134-Y138 WeakPolarHBondContact O-CB 3.39Å; H134-Y138 PolarHBondContact O-N 3.16Å; D135-Y138 PolarHBondContact O-N 2.85Å; R136-Y138 VanDerWaalsContact C-N 3.34Å; R136-Y138 PolarHBondContact O-N 3.11Å; Y138-V140 PolarHBondContact O-N 3.14Å; Y138-L141 PolarHBondContact O-N 3.28Å; Y138-K142 HydrophobicContact CE1-CD 3.84Å; Y138-K142 VanDerWaalsContact O-CB 3.25Å; Y138-K142 WeakPolarHBondContact O-CB 3.26Å; Y138-K142 PolarHBondContact O-N 2.83Å; Y138-K142 PolarHBondContact OH-NZ 3.13Å; Y138-Y148 HydrophobicContact CE2-CE2 4.41Å; Y138-A150 HydrophobicContact CD2-CB 3.77Å; Y138-A150 HydrophobicContact CE2-CB 3.71Å; Y138-M152 HydrophobicContact CD2-CE 4.01Å; Y138-M152 HydrophobicContact CE2-CE 4.07Å; Y138-M152 HydrophobicContact CG-CE 4.35Å; Y138-T200 WeakPolarHBondContact CE2-OG1 3.47Å; Y138-T200 PolarHBondContact OH-OG1 3.15Å |
| 139 | T | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 35.5 Ų | 35.5 | 47% | 0.466 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 176.2 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | D135 R136 M137 L141 K142 T143 | D135-T139 WeakPolarHBondContact O-CB 3.34Å; D135-T139 PolarHBondContact O-N 3.05Å; D135-T139 PolarHBondContact O-OG1 3.36Å; R136-T139 WeakPolarHBondContact O-CB 3.43Å; R136-T139 PolarHBondContact O-N 3.25Å; M137-T139 VanDerWaalsContact C-N 3.33Å; M137-T139 PolarHBondContact O-N 3.12Å; T139-L141 PolarHBondContact O-N 3.32Å; T139-K142 PolarHBondContact O-N 2.84Å; T139-T143 HydrophobicContact CG2-CG2 4.3Å; T139-T143 WeakPolarHBondContact O-CG2 3.45Å; T139-T143 PolarHBondContact O-N 2.7Å; T139-T143 PolarHBondContact O-OG1 3.18Å |
| 140 | V | 98.9 | Very high | 98.6 | Very high | 35 Ų | 35 | 34.2 Ų | 34.2 | 21% | 0.212 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.6 | -47 | 175.8 | 171 | 0 | 0 | 0 | 0 | 111 | T93 K94 V97 R136 M137 Y138 S144 | T93-V140 HydrophobicContact CG2-CB 4.37Å; T93-V140 HydrophobicContact CG2-CG1 3.91Å; K94-V140 HydrophobicContact CB-CG1 4.31Å; V97-V140 HydrophobicContact CB-CG1 4.33Å; V97-V140 HydrophobicContact CG2-CG1 4Å; R136-V140 WeakPolarHBondContact O-CG2 3.35Å; R136-V140 PolarHBondContact O-N 3.34Å; M137-V140 PolarHBondContact O-N 3.46Å; Y138-V140 PolarHBondContact O-N 3.14Å; V140-S144 VanDerWaalsContact O-CB 3.31Å; V140-S144 WeakPolarHBondContact O-CB 3.49Å; V140-S144 PolarHBondContact O-N 2.97Å; V140-S144 VanDerWaalsContact O-N 3.15Å |
| 141 | L | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -47.1 | 177.8 | -69.9 | 174.9 | 0 | 0 | 0 | 111.9 | I75 T93 V97 V108 M112 M137 Y138 T139 T143 S144 Y148 | I75-L141 HydrophobicContact CD1-CD2 4.41Å; T93-L141 HydrophobicContact CG2-CD2 3.77Å; T93-L141 HydrophobicContact CG2-CG 3.85Å; V97-L141 HydrophobicContact CG2-CD2 4.11Å; V108-L141 HydrophobicContact CG1-CD2 3.93Å; V108-L141 HydrophobicContact CG2-CD2 3.98Å; M112-L141 HydrophobicContact CE-CD1 4.01Å; M112-L141 HydrophobicContact SD-CD1 4.37Å; M137-L141 HydrophobicContact CE-CD1 4.3Å; M137-L141 PolarHBondContact O-N 3.11Å; Y138-L141 PolarHBondContact O-N 3.28Å; T139-L141 PolarHBondContact O-N 3.32Å; L141-T143 PolarHBondContact O-N 2.89Å; L141-S144 WeakPolarHBondContact O-CB 3.34Å; L141-S144 PolarHBondContact O-N 3.23Å; L141-S144 PolarHBondContact O-OG 3.07Å; L141-Y148 HydrophobicContact CB-CG 4.34Å; L141-Y148 WeakPolarHBondContact O-CD1 3.44Å |
| 142 | K | 98.4 | Very high | 98.6 | Very high | 111 Ų | 111 | 33.6 Ų | 33.6 | 48% | 0.483 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.8 | -41.7 | -175.8 | -173 | 175 | -168 | 165.2 | 0 | 112.9 | Y138 T139 Y148 | Y138-K142 HydrophobicContact CE1-CD 3.84Å; Y138-K142 VanDerWaalsContact O-CB 3.25Å; Y138-K142 WeakPolarHBondContact O-CB 3.26Å; Y138-K142 PolarHBondContact O-N 2.83Å; Y138-K142 PolarHBondContact OH-NZ 3.13Å; T139-K142 PolarHBondContact O-N 2.84Å; K142-Y148 HydrophobicContact CB-CE1 4.38Å; K142-Y148 HydrophobicContact CG-CE1 4.41Å |
| 143 | T | 98.5 | Very high | 98.6 | Very high | 107 Ų | 107 | 29.5 Ų | 29.5 | 66% | 0.656 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -87.6 | -6.5 | -179.5 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | T139 L141 G145 | T139-T143 HydrophobicContact CG2-CG2 4.3Å; T139-T143 WeakPolarHBondContact O-CG2 3.45Å; T139-T143 PolarHBondContact O-N 2.7Å; T139-T143 PolarHBondContact O-OG1 3.18Å; L141-T143 PolarHBondContact O-N 2.89Å; T143-G145 PolarHBondContact O-N 2.88Å |
| 144 | S | 98.5 | Very high | 98.6 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 6% | 0.063 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28.2 | -179.4 | 70.3 | 0 | 0 | 0 | 0 | 113.4 | K101 V140 L141 L146 | K101-S144 WeakPolarHBondContact CE-O 3.4Å; K101-S144 PolarHBondContact NZ-O 3.35Å; V140-S144 VanDerWaalsContact O-CB 3.31Å; V140-S144 WeakPolarHBondContact O-CB 3.49Å; V140-S144 PolarHBondContact O-N 2.97Å; V140-S144 VanDerWaalsContact O-N 3.15Å; L141-S144 WeakPolarHBondContact O-CB 3.34Å; L141-S144 PolarHBondContact O-N 3.23Å; L141-S144 PolarHBondContact O-OG 3.07Å; S144-L146 PolarHBondContact O-N 2.79Å; S144-L146 VanDerWaalsContact OG-CB 3.26Å; S144-L146 WeakPolarHBondContact OG-CB 3.38Å; S144-L146 WeakPolarHBondContact OG-CG 3.47Å; S144-L146 PolarHBondContact OG-N 3.02Å |
| 145 | G | 98.1 | Very high | 98.5 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 28% | 0.278 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 8.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R106 T143 | R106-G145 VanDerWaalsContact CZ-O 3.23Å; R106-G145 PolarHBondContact NH1-O 2.92Å; R106-G145 PolarHBondContact NH2-O 3.32Å; T143-G145 PolarHBondContact O-N 2.88Å |
| 146 | L | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -75.4 | 165.1 | 171.7 | -62.1 | 178.9 | 0 | 0 | 0 | 112 | V97 M100 K101 I105 R106 V108 S144 Y148 | V97-L146 HydrophobicContact CB-CD1 4.41Å; V97-L146 HydrophobicContact CG1-CD1 4.11Å; V97-L146 HydrophobicContact CG2-CD1 4.02Å; M100-L146 HydrophobicContact CB-CD1 4.22Å; M100-L146 HydrophobicContact CE-CD1 3.85Å; M100-L146 HydrophobicContact SD-CD1 3.78Å; K101-L146 HydrophobicContact CG-CD2 4.28Å; I105-L146 WeakPolarHBondContact O-CD2 3.37Å; R106-L146 VanDerWaalsContact NH2-CA 3.26Å; V108-L146 HydrophobicContact CG1-CB 4.05Å; V108-L146 HydrophobicContact CG1-CD1 4.07Å; S144-L146 PolarHBondContact O-N 2.79Å; S144-L146 VanDerWaalsContact OG-CB 3.26Å; S144-L146 WeakPolarHBondContact OG-CB 3.38Å; S144-L146 WeakPolarHBondContact OG-CG 3.47Å; S144-L146 PolarHBondContact OG-N 3.02Å; L146-Y148 PolarHBondContact O-N 3.27Å |
| 147 | D | 98.5 | Very high | 98.4 | Very high | 38 Ų | 38 | 30.9 Ų | 30.9 | 20% | 0.203 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 71.6 | 174.5 | -56 | -40.9 | 0 | 0 | 0 | 107.6 | R106 V108 D197 R198 | R106-D147 WeakPolarHBondContact CB-OD2 3.36Å; R106-D147 IonicContact CZ-OD1 3.89Å; R106-D147 IonicContact CZ-OD2 3.42Å; R106-D147 IonicContact NE-OD2 2.93Å; R106-D147 PolarHBondContact NE-OD2 3.33Å; R106-D147 VanDerWaalsContact NH2-N 3.17Å; R106-D147 IonicContact NH2-OD1 2.83Å; R106-D147 PolarHBondContact NH2-OD1 2.68Å; R106-D147 IonicContact NH2-OD2 3.06Å; R106-D147 PolarHBondContact NH2-OD2 2.94Å; R106-D147 PolarHBondContact O-N 3.43Å; V108-D147 PolarHBondContact N-O 2.77Å; D147-D197 HydrophobicContact CB-CB 4.28Å; D147-R198 IonicContact OD1-NH1 3.8Å |
| 148 | Y | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 34 Ų | 34 | 6% | 0.059 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 145.2 | -173.5 | 76.1 | -96.1 | 0 | 0 | 0 | 111.7 | V108 Y138 L141 K142 L146 A150 R198 | V108-Y148 CarbonylContact O-C 3.5Å; V108-Y148 WeakPolarHBondContact O-CA 3.14Å; Y138-Y148 HydrophobicContact CE2-CE2 4.41Å; L141-Y148 HydrophobicContact CB-CG 4.34Å; L141-Y148 WeakPolarHBondContact O-CD1 3.44Å; K142-Y148 HydrophobicContact CB-CE1 4.38Å; K142-Y148 HydrophobicContact CG-CE1 4.41Å; L146-Y148 PolarHBondContact O-N 3.27Å; Y148-A150 HydrophobicContact CD2-CB 3.94Å; Y148-A150 HydrophobicContact CE2-CB 3.93Å; Y148-R198 HydrophobicContact CE1-CB 4.16Å; Y148-R198 VanDerWaalsContact O-CA 3.23Å; Y148-R198 WeakPolarHBondContact O-CA 3.39Å; Y148-R198 PolarHBondContact O-N 2.8Å; Y148-R198 PolarHBondContact OH-O 3.38Å; Y148-R198 VanDerWaalsContact OH-O 3.06Å |
| 149 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 112.5 | 163.7 | -174.2 | 0 | 0 | 0 | 0 | 107.5 | V108 I109 G110 V151 W196 V201 | V108-V149 PolarHBondContact O-N 2.92Å; I109-V149 HydrophobicContact CB-CB 4.46Å; I109-V149 HydrophobicContact CG1-CB 4.14Å; I109-V149 HydrophobicContact CG1-CG2 4.15Å; I109-V149 HydrophobicContact CG2-CB 4.22Å; G110-V149 PolarHBondContact N-O 2.84Å; V149-V151 HydrophobicContact CG1-CG2 3.96Å; V149-V151 PolarHBondContact O-N 2.84Å; V149-W196 HydrophobicContact CB-CB 4.41Å; V149-W196 HydrophobicContact CG1-CB 3.68Å; V149-W196 HydrophobicContact CG2-CB 3.85Å; V149-V201 HydrophobicContact CG1-CG2 3.96Å |
| 150 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 98.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | M112 Y138 Y148 K199 T200 V201 | M112-A150 HydrophobicContact CE-CB 4Å; M112-A150 HydrophobicContact SD-CB 4.11Å; Y138-A150 HydrophobicContact CD2-CB 3.77Å; Y138-A150 HydrophobicContact CE2-CB 3.71Å; Y148-A150 HydrophobicContact CD2-CB 3.94Å; Y148-A150 HydrophobicContact CE2-CB 3.93Å; A150-K199 PolarHBondContact N-O 3.12Å; A150-T200 CarbonylContact O-C 3.42Å; A150-T200 WeakPolarHBondContact O-CA 3.23Å; A150-V201 PolarHBondContact O-N 2.8Å |
| 151 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 125.7 | -174.9 | -170.1 | 0 | 0 | 0 | 0 | 110.4 | I109 G110 M112 V149 P153 L183 F186 F187 V201 V203 | I109-V151 HydrophobicContact CG2-CG2 3.81Å; G110-V151 WeakPolarHBondContact O-CB 3.5Å; G110-V151 PolarHBondContact O-N 2.88Å; M112-V151 PolarHBondContact N-O 3.23Å; V149-V151 HydrophobicContact CG1-CG2 3.96Å; V149-V151 PolarHBondContact O-N 2.84Å; V151-P153 VanDerWaalsContact O-CD 3.29Å; V151-P153 WeakPolarHBondContact O-CD 3.36Å; V151-L183 HydrophobicContact CG1-CD1 3.87Å; V151-F186 HydrophobicContact CG1-CD1 4.01Å; V151-F186 HydrophobicContact CG1-CE1 4.03Å; V151-F186 HydrophobicContact CG2-CD1 4.17Å; V151-F186 HydrophobicContact CG2-CE1 3.79Å; V151-F187 HydrophobicContact CB-CE1 3.7Å; V151-F187 HydrophobicContact CG1-CE1 3.78Å; V151-F187 HydrophobicContact CG1-CZ 4.5Å; V151-F187 HydrophobicContact CG2-CD1 4Å; V151-F187 HydrophobicContact CG2-CE1 3.68Å; V151-V201 WeakPolarHBondContact CA-O 3.18Å; V151-V203 HydrophobicContact CG1-CB 4.39Å; V151-V203 HydrophobicContact CG1-CG2 3.75Å |
| 152 | M | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 76.9 | -174.2 | -64.7 | -170.3 | -180 | 0 | 0 | 110.1 | L116 L117 Y138 T200 V201 | L116-M152 HydrophobicContact CB-CE 3.51Å; L116-M152 HydrophobicContact CB-SD 3.53Å; L116-M152 VanDerWaalsContact CB-SD 3.53Å; L116-M152 HydrophobicContact CD2-CE 3.7Å; L116-M152 HydrophobicContact CG-CE 4.27Å; L117-M152 HydrophobicContact CD1-CB 3.84Å; L117-M152 HydrophobicContact CD1-SD 4.28Å; L117-M152 HydrophobicContact CD2-SD 3.53Å; L117-M152 VanDerWaalsContact CD2-SD 3.53Å; L117-M152 HydrophobicContact CG-CB 4.02Å; L117-M152 HydrophobicContact CG-CG 4.4Å; L117-M152 HydrophobicContact CG-SD 3.48Å; L117-M152 WeakPolarHBondContact CG-SD 3.47Å; Y138-M152 HydrophobicContact CD2-CE 4.01Å; Y138-M152 HydrophobicContact CE2-CE 4.07Å; Y138-M152 HydrophobicContact CG-CE 4.35Å; M152-T200 HydrophobicContact CE-CG2 3.32Å; M152-T200 HydrophobicContact CG-CG2 4.03Å; M152-T200 HydrophobicContact SD-CG2 3.24Å; M152-T200 WeakPolarHBondContact SD-CG2 3.42Å; M152-V201 PolarHBondContact N-O 3.47Å |
| 153 | P | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | trans | -74.8 | 152.6 | 179.2 | 32.3 | -35.1 | 0 | 0 | 0 | 111.6 | A114 V151 I156 I178 L183 | A114-P153 WeakPolarHBondContact CB-O 3.41Å; A114-P153 PolarHBondContact N-O 2.84Å; V151-P153 VanDerWaalsContact O-CD 3.29Å; V151-P153 WeakPolarHBondContact O-CD 3.36Å; P153-I156 HydrophobicContact CB-CG1 4.29Å; P153-I156 HydrophobicContact CG-CD1 4.1Å; P153-I156 HydrophobicContact CG-CG1 4.28Å; P153-I178 HydrophobicContact CB-CG2 3.72Å; P153-L183 HydrophobicContact CB-CD1 4.06Å; P153-L183 HydrophobicContact CB-CD2 3.86Å; P153-L183 HydrophobicContact CG-CD1 4.35Å; P153-L183 HydrophobicContact CG-CD2 3.82Å | ||
| 154 | P | 97.1 | Very high | 97.8 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -75.9 | -146.9 | 167.6 | 35.7 | -35.2 | 0 | 0 | 0 | 109.9 | A114 I156 L173 R176 V203 W204 | A114-P154 HydrophobicContact CB-CB 4.38Å; P154-I156 PolarHBondContact O-N 3.46Å; P154-L173 HydrophobicContact CB-CD2 3.7Å; P154-L173 HydrophobicContact CG-CD1 4.43Å; P154-L173 HydrophobicContact CG-CD2 4.18Å; P154-R176 WeakPolarHBondContact CB-O 3.49Å; P154-V203 WeakPolarHBondContact CD-O 3.2Å; P154-W204 HydrophobicContact CG-CB 4.2Å |
| 155 | H | 97.1 | Very high | 97.7 | Very high | 129 Ų | 129 | 48.1 Ų | 48.1 | 60% | 0.597 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 127.1 | 172.8 | 174.3 | 63 | 0 | 0 | 0 | 111 | R176 A177 I178 | H155-R176 WeakPolarHBondContact CB-O 3.14Å; H155-R176 PolarHBondContact N-O 2.86Å; H155-A177 CarbonylContact O-C 3.47Å; H155-A177 WeakPolarHBondContact O-CA 3.42Å; H155-I178 PolarHBondContact O-N 3.48Å |
| 156 | I | 98.3 | Very high | 97.6 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 109.4 | 175.4 | -55 | 171.3 | 0 | 0 | 0 | 107.7 | P153 P154 I178 K180 L183 | P153-I156 HydrophobicContact CB-CG1 4.29Å; P153-I156 HydrophobicContact CG-CD1 4.1Å; P153-I156 HydrophobicContact CG-CG1 4.28Å; P154-I156 PolarHBondContact O-N 3.46Å; I156-I178 CarbonylContact C-O 3.58Å; I156-I178 WeakPolarHBondContact CA-O 3.42Å; I156-I178 HydrophobicContact CG1-CG2 4.17Å; I156-K180 HydrophobicContact CG2-CB 3.76Å; I156-L183 HydrophobicContact CD1-CD2 3.52Å; I156-L183 HydrophobicContact CG1-CD2 3.81Å; I156-L183 HydrophobicContact CG2-CD2 4.38Å |
| 157 | A | 97.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 134 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L160 I178 K180 | A157-L160 HydrophobicContact CB-CB 4.18Å; A157-L160 HydrophobicContact CB-CD1 3.36Å; A157-L160 HydrophobicContact CB-CG 3.63Å; A157-I178 PolarHBondContact N-O 3.18Å; A157-K180 PolarHBondContact O-N 3.04Å |
| 158 | S | 96.2 | Very high | 97.6 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 46% | 0.462 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -89.3 | -17.7 | -176.4 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | K180 | S158-K180 WeakPolarHBondContact O-CE 3.22Å; S158-K180 PolarHBondContact O-NZ 2.6Å |
| 159 | D | 96.1 | Very high | 97.5 | Very high | 133 Ų | 133 | 51.6 Ų | 51.6 | 71% | 0.711 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -110 | -3.7 | -168.7 | 59.1 | -32.8 | 0 | 0 | 0 | 113.3 | ||
| 160 | L | 97.1 | Very high | 97.5 | Very high | 44 Ų | 44 | 55.6 Ų | 55.6 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -88.7 | 146.3 | 176 | -61.3 | 178.5 | 0 | 0 | 0 | 111.4 | A157 S179 H181 Y207 | A157-L160 HydrophobicContact CB-CB 4.18Å; A157-L160 HydrophobicContact CB-CD1 3.36Å; A157-L160 HydrophobicContact CB-CG 3.63Å; L160-S179 PolarHBondContact O-OG 3.41Å; L160-H181 PolarHBondContact O-CD2 3.38Å; L160-Y207 HydrophobicContact CB-CD1 3.99Å; L160-Y207 HydrophobicContact CB-CE1 4.1Å; L160-Y207 HydrophobicContact CB-CG 4.28Å; L160-Y207 HydrophobicContact CD1-CD1 4.19Å; L160-Y207 HydrophobicContact CD1-CD2 3.38Å; L160-Y207 HydrophobicContact CD1-CE2 3.77Å; L160-Y207 HydrophobicContact CD1-CG 3.63Å; L160-Y207 HydrophobicContact CD2-CG 4.2Å; L160-Y207 HydrophobicContact CG-CD1 4.45Å; L160-Y207 HydrophobicContact CG-CD2 4.43Å; L160-Y207 HydrophobicContact CG-CG 4.25Å |
| 161 | P | 97.3 | Very high | 97.4 | Very high | 76 Ų | 76 | 60.4 Ų | 60.4 | 49% | 0.494 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -75 | 171.9 | -174.4 | 31.1 | -36.2 | 0 | 0 | 0 | 113.1 | T163 S179 | P161-T163 HydrophobicContact CG-CG2 3.97Å; P161-S179 WeakPolarHBondContact O-CB 3.34Å; P161-S179 PolarHBondContact O-OG 2.66Å |
| 162 | L | 97.7 | Very high | 97.1 | Very high | 73 Ų | 73 | 64 Ų | 64 | 38% | 0.382 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 129 | 157.9 | -178.9 | 64.5 | 0 | 0 | 0 | 108.1 | E164 H181 D182 H185 | L162-E164 HydrophobicContact CD1-CG 4.11Å; L162-E164 HydrophobicContact CG-CG 4.28Å; L162-H181 HydrophobicContact CB-CB 3.73Å; L162-H181 HydrophobicContact CD1-CB 4.07Å; L162-H181 HydrophobicContact CG-CB 4.48Å; L162-D182 WeakPolarHBondContact CD1-OD1 3.16Å; L162-H185 HydrophobicContact CD1-CB 3.81Å |
| 163 | T | 97.1 | Very high | 96.9 | Very high | 32 Ų | 32 | 65.1 Ų | 65.1 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | trans | -126.4 | -24.2 | 178 | 68.7 | 0 | 0 | 0 | 0 | 113.1 | P161 R165 D182 Y207 | P161-T163 HydrophobicContact CG-CG2 3.97Å; T163-R165 WeakPolarHBondContact O-CG 3.33Å; T163-R165 PolarHBondContact O-N 2.82Å; T163-R165 PolarHBondContact OG1-N 2.79Å; T163-R165 VanDerWaalsContact OG1-N 3.12Å; T163-D182 PolarHBondContact N-OD1 3.24Å; T163-D182 PolarHBondContact OG1-OD1 3.07Å; T163-D182 PolarHBondContact OG1-OD2 3.12Å; T163-Y207 HydrophobicContact CG2-CD1 4.06Å; T163-Y207 HydrophobicContact CG2-CE1 3.87Å | ||
| 164 | E | 96.6 | Very high | 96.6 | Very high | 116 Ų | 116 | 72.3 Ų | 72.3 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 56.5 | 9.7 | -168.3 | -54.3 | -179.3 | -159.3 | 0 | 0 | 113.8 | L162 D182 H185 | L162-E164 HydrophobicContact CD1-CG 4.11Å; L162-E164 HydrophobicContact CG-CG 4.28Å; E164-D182 PolarHBondContact N-OD1 3.06Å; E164-H185 IonicContact OE1-CD2 2.87Å; E164-H185 IonicContact OE1-NE2 3.63Å; E164-H185 IonicContact OE2-CE1 3.48Å; E164-H185 IonicContact OE2-NE2 3.68Å |
| 165 | R | 95.6 | Very high | 96.4 | Very high | 197 Ų | 197 | 72.4 Ų | 72.4 | 74% | 0.743 | 37% | 0.373 | S | S | * | . | trans | -108.7 | 63.8 | -179.6 | -66.5 | -172.9 | -59.6 | -131.6 | 0.7 | 109.8 | T163 | T163-R165 WeakPolarHBondContact O-CG 3.33Å; T163-R165 PolarHBondContact O-N 2.82Å; T163-R165 PolarHBondContact OG1-N 2.79Å; T163-R165 VanDerWaalsContact OG1-N 3.12Å | ||
| 166 | Y | 97.3 | Very high | 96.2 | Very high | 32 Ų | 32 | 76.8 Ų | 76.8 | 13% | 0.125 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 157.8 | 174.6 | 54.6 | -97 | 0 | 0 | 0 | 110.5 | I178 D182 H185 F186 V203 W204 | Y166-I178 HydrophobicContact CG-CD1 4.23Å; Y166-D182 HydrophobicContact CD1-CB 3.54Å; Y166-D182 HydrophobicContact CE1-CB 4.1Å; Y166-D182 WeakPolarHBondContact CE1-O 3.38Å; Y166-D182 HydrophobicContact CG-CB 4.32Å; Y166-H185 HydrophobicContact CE1-CB 4.28Å; Y166-H185 AromaticContact CE1-ND1 3.54Å; Y166-H185 AromaticContact CZ-ND1 3.61Å; Y166-H185 PolarHBondContact OH-ND1 2.69Å; Y166-F186 HydrophobicContact CE2-CB 3.81Å; Y166-F186 AromaticContact CE2-CD2 3.62Å; Y166-F186 HydrophobicContact CE2-CD2 3.62Å; Y166-F186 HydrophobicContact CE2-CG 4.07Å; Y166-F186 VanDerWaalsContact OH-CA 3.3Å; Y166-F186 WeakPolarHBondContact OH-CA 3.5Å; Y166-F186 PolarHBondContact OH-N 3.45Å; Y166-V203 HydrophobicContact CD2-CG1 3.83Å; Y166-V203 HydrophobicContact CE2-CG1 4.36Å; Y166-V203 HydrophobicContact CG-CG1 4.43Å; Y166-W204 CarbonylContact C-O 3.54Å; Y166-W204 WeakPolarHBondContact CA-O 3.21Å; Y166-W204 WeakPolarHBondContact CB-O 3.41Å |
| 167 | S | 98.2 | Very high | 96.2 | Very high | 49 Ų | 49 | 76 Ų | 76 | 34% | 0.343 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 141 | 172.2 | -66.3 | 0 | 0 | 0 | 0 | 110.2 | V203 W204 | S167-V203 VanDerWaalsContact O-CA 3.31Å; S167-V203 WeakPolarHBondContact O-CA 3.35Å; S167-W204 PolarHBondContact N-O 3.21Å; S167-W204 PolarHBondContact O-N 2.86Å |
| 168 | A | 98.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 75.9 Ų | 75.9 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | F186 W196 V201 G202 V203 | A168-F186 HydrophobicContact CB-CD2 4.3Å; A168-F186 HydrophobicContact CB-CE2 3.63Å; A168-F186 HydrophobicContact CB-CZ 4.04Å; A168-W196 HydrophobicContact CB-CH2 3.97Å; A168-W196 HydrophobicContact CB-CZ2 3.91Å; A168-V201 HydrophobicContact CB-CG1 4Å; A168-G202 WeakPolarHBondContact CA-O 3.39Å; A168-V203 HydrophobicContact CB-CG2 4.23Å |
| 169 | T | 97.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 72.7 Ų | 72.7 | 28% | 0.282 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 141.9 | 178.5 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | M172 V201 G202 W204 | T169-M172 HydrophobicContact CG2-CB 4.2Å; T169-M172 HydrophobicContact CG2-CE 3.48Å; T169-M172 VanDerWaalsContact CG2-CE 3.48Å; T169-V201 WeakPolarHBondContact O-CA 3.47Å; T169-G202 PolarHBondContact N-O 2.91Å; T169-G202 PolarHBondContact O-N 3.3Å; T169-W204 WeakPolarHBondContact OG1-CH2 3.4Å |
| 170 | E | 97.8 | Very high | 96.5 | Very high | 85 Ų | 85 | 68.6 Ų | 68.6 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 131.9 | 176.5 | 178.8 | 170.6 | -169.6 | 0 | 0 | 111.2 | M172 K199 T200 | E170-M172 PolarHBondContact O-N 3.17Å; E170-K199 HydrophobicContact CB-CD 4.4Å; E170-K199 HydrophobicContact CG-CB 4.3Å; E170-K199 HydrophobicContact CG-CD 4.25Å; E170-K199 HydrophobicContact CG-CG 4.39Å; E170-K199 VanDerWaalsContact OE2-CD 3.24Å; E170-K199 WeakPolarHBondContact OE2-CD 3.31Å; E170-K199 WeakPolarHBondContact OE2-CE 3.47Å; E170-K199 IonicContact OE2-NZ 3.12Å; E170-T200 CarbonylContact C-O 3.4Å; E170-T200 VanDerWaalsContact CA-O 3.28Å; E170-T200 WeakPolarHBondContact CA-O 3.5Å |
| 171 | N | 95.8 | Very high | 96.5 | Very high | 100 Ų | 100 | 69.4 Ų | 69.4 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 21.3 | 175.7 | -61.6 | -49.1 | 0 | 0 | 0 | 115.6 | T200 | N171-T200 PolarHBondContact N-O 3.06Å; N171-T200 WeakPolarHBondContact OD1-CB 3.46Å |
| 172 | M | 94.4 | Very high | 96.6 | Very high | 75 Ų | 75 | 65.8 Ų | 65.8 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | trans | -145.7 | 147.2 | -176.9 | -178 | 174.6 | 55.6 | 0 | 0 | 112.1 | T169 E170 K174 G202 | T169-M172 HydrophobicContact CG2-CB 4.2Å; T169-M172 HydrophobicContact CG2-CE 3.48Å; T169-M172 VanDerWaalsContact CG2-CE 3.48Å; E170-M172 PolarHBondContact O-N 3.17Å; M172-K174 HydrophobicContact CG-CG 4.46Å; M172-K174 VanDerWaalsContact SD-CE 3.57Å; M172-K174 HydrophobicContact SD-CG 4.28Å; M172-G202 WeakPolarHBondContact O-CA 3.31Å | ||
| 173 | L | 93.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 62.3 Ų | 62.3 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | trans | -138.3 | 129 | 171.4 | -166.8 | 82.9 | 0 | 0 | 0 | 110.2 | A114 L117 W118 P154 G175 W204 | A114-L173 HydrophobicContact CB-CD2 3.41Å; A114-L173 VanDerWaalsContact CB-CD2 3.41Å; L117-L173 HydrophobicContact CD1-CB 3.87Å; W118-L173 HydrophobicContact CZ2-CD2 3.78Å; P154-L173 HydrophobicContact CB-CD2 3.7Å; P154-L173 HydrophobicContact CG-CD1 4.43Å; P154-L173 HydrophobicContact CG-CD2 4.18Å; L173-G175 WeakPolarHBondContact CD2-O 3.43Å; L173-W204 HydrophobicContact CD1-CB 4.2Å; L173-W204 HydrophobicContact CD1-CD2 4.34Å; L173-W204 HydrophobicContact CD1-CE3 3.63Å; L173-W204 HydrophobicContact CD1-CZ3 4.4Å; L173-W204 HydrophobicContact CG-CE3 4.28Å | ||
| 174 | K | 92.8 | Very high | 96.7 | Very high | 154 Ų | 154 | 60.8 Ų | 60.8 | 67% | 0.67 | 29% | 0.288 | S | S | * | . | trans | -108.4 | -34.8 | 175.5 | -63.1 | -177.1 | 177.6 | 177.8 | 0 | 113.6 | M172 W204 | M172-K174 HydrophobicContact CG-CG 4.46Å; M172-K174 VanDerWaalsContact SD-CE 3.57Å; M172-K174 HydrophobicContact SD-CG 4.28Å; K174-W204 HydrophobicContact CB-CH2 4.34Å; K174-W204 HydrophobicContact CB-CZ2 3.69Å; K174-W204 HydrophobicContact CD-CZ2 4.18Å; K174-W204 HydrophobicContact CG-CH2 4.31Å; K174-W204 HydrophobicContact CG-CZ2 3.98Å | ||
| 175 | G | 92.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 57.1 Ų | 57.1 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | trans | -84.5 | 164.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | L173 W204 | L173-G175 WeakPolarHBondContact CD2-O 3.43Å; G175-W204 VanDerWaalsContact CA-CG 3.49Å; G175-W204 VanDerWaalsContact N-CD1 3.29Å; G175-W204 VanDerWaalsContact N-CG 3.28Å | ||
| 176 | R | 93.4 | Very high | 97 | Very high | 222 Ų | 222 | 47.9 Ų | 47.9 | 84% | 0.838 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -106.6 | -7.4 | -178.7 | -66.5 | -172.7 | 175.3 | -170.7 | -0.9 | 114.2 | P154 H155 | P154-R176 WeakPolarHBondContact CB-O 3.49Å; H155-R176 WeakPolarHBondContact CB-O 3.14Å; H155-R176 PolarHBondContact N-O 2.86Å |
| 177 | A | 97.3 | Very high | 97.1 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 21% | 0.207 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 157.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H155 G205 | H155-A177 CarbonylContact O-C 3.47Å; H155-A177 WeakPolarHBondContact O-CA 3.42Å; A177-G205 PolarHBondContact O-N 3.39Å |
| 178 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 138.6 | 166.4 | -172.3 | 71 | 0 | 0 | 0 | 107.9 | P153 H155 I156 A157 Y166 D182 L183 V203 | P153-I178 HydrophobicContact CB-CG2 3.72Å; H155-I178 PolarHBondContact O-N 3.48Å; I156-I178 CarbonylContact C-O 3.58Å; I156-I178 WeakPolarHBondContact CA-O 3.42Å; I156-I178 HydrophobicContact CG1-CG2 4.17Å; A157-I178 PolarHBondContact N-O 3.18Å; Y166-I178 HydrophobicContact CG-CD1 4.23Å; I178-D182 HydrophobicContact CD1-CB 3.82Å; I178-D182 HydrophobicContact CG1-CB 4.25Å; I178-L183 HydrophobicContact CG1-CB 3.97Å; I178-L183 HydrophobicContact CG2-CB 4.25Å; I178-L183 HydrophobicContact CG2-CD2 4.23Å; I178-V203 HydrophobicContact CD1-CG1 4.08Å; I178-V203 HydrophobicContact CG1-CG1 4.41Å |
| 179 | S | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 139.4 | 169.8 | 168.2 | 0 | 0 | 0 | 0 | 109.6 | L160 P161 H181 D182 L183 Y207 | L160-S179 PolarHBondContact O-OG 3.41Å; P161-S179 WeakPolarHBondContact O-CB 3.34Å; P161-S179 PolarHBondContact O-OG 2.66Å; S179-H181 PolarHBondContact O-N 3.41Å; S179-H181 VanDerWaalsContact O-N 3.12Å; S179-H181 WeakPolarHBondContact OG-CB 3.42Å; S179-H181 PolarHBondContact OG-N 3.04Å; S179-D182 PolarHBondContact O-N 2.71Å; S179-L183 WeakPolarHBondContact O-CB 3.34Å; S179-L183 PolarHBondContact O-N 3.11Å; S179-Y207 WeakPolarHBondContact CB-OH 3.18Å; S179-Y207 PolarHBondContact N-OH 2.89Å |
| 180 | K | 98.6 | Very high | 97 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.1 | -30.4 | 170.1 | 69.8 | -179.1 | -178.6 | -154 | 0 | 112.2 | M16 A20 I156 A157 S158 G184 | M16-K180 HydrophobicContact CG-CB 4.48Å; M16-K180 HydrophobicContact CG-CD 3.79Å; A20-K180 HydrophobicContact CB-CB 4.34Å; A20-K180 HydrophobicContact CB-CD 4.32Å; A20-K180 HydrophobicContact CB-CG 3.96Å; I156-K180 HydrophobicContact CG2-CB 3.76Å; A157-K180 PolarHBondContact O-N 3.04Å; S158-K180 WeakPolarHBondContact O-CE 3.22Å; S158-K180 PolarHBondContact O-NZ 2.6Å; K180-G184 PolarHBondContact O-N 3.22Å |
| 181 | H | 98.6 | Very high | 97 | Very high | 60 Ų | 60 | 42.5 Ų | 42.5 | 28% | 0.278 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -75 | -46.8 | -179.8 | -61 | -78.9 | 0 | 0 | 0 | 111.5 | Q24 L160 L162 S179 L183 G184 H185 | Q24-H181 PolarHBondContact NE2-O 3.35Å; L160-H181 PolarHBondContact O-CD2 3.38Å; L162-H181 HydrophobicContact CB-CB 3.73Å; L162-H181 HydrophobicContact CD1-CB 4.07Å; L162-H181 HydrophobicContact CG-CB 4.48Å; S179-H181 PolarHBondContact O-N 3.41Å; S179-H181 VanDerWaalsContact O-N 3.12Å; S179-H181 WeakPolarHBondContact OG-CB 3.42Å; S179-H181 PolarHBondContact OG-N 3.04Å; H181-L183 VanDerWaalsContact C-N 3.34Å; H181-L183 PolarHBondContact O-N 3.33Å; H181-G184 PolarHBondContact O-N 2.84Å; H181-H185 PolarHBondContact O-N 3.08Å |
| 182 | D | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -37.4 | 176 | -78.6 | -30.5 | 0 | 0 | 0 | 112.3 | L162 T163 E164 Y166 I178 S179 H185 F186 Y207 | L162-D182 WeakPolarHBondContact CD1-OD1 3.16Å; T163-D182 PolarHBondContact N-OD1 3.24Å; T163-D182 PolarHBondContact OG1-OD1 3.07Å; T163-D182 PolarHBondContact OG1-OD2 3.12Å; E164-D182 PolarHBondContact N-OD1 3.06Å; Y166-D182 HydrophobicContact CD1-CB 3.54Å; Y166-D182 HydrophobicContact CE1-CB 4.1Å; Y166-D182 WeakPolarHBondContact CE1-O 3.38Å; Y166-D182 HydrophobicContact CG-CB 4.32Å; I178-D182 HydrophobicContact CD1-CB 3.82Å; I178-D182 HydrophobicContact CG1-CB 4.25Å; S179-D182 PolarHBondContact O-N 2.71Å; D182-H185 WeakPolarHBondContact O-CB 3.48Å; D182-H185 PolarHBondContact O-N 2.9Å; D182-F186 PolarHBondContact O-N 3.01Å; D182-Y207 VanDerWaalsContact OD2-CE1 3.23Å; D182-Y207 WeakPolarHBondContact OD2-CE1 3.39Å; D182-Y207 VanDerWaalsContact OD2-CZ 3.3Å; D182-Y207 PolarHBondContact OD2-OH 2.83Å |
| 183 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 173.5 | -177.5 | 58.2 | 0 | 0 | 0 | 111.3 | T17 V151 P153 I156 I178 S179 H181 H185 F186 F187 | T17-L183 HydrophobicContact CG2-CB 4.2Å; T17-L183 HydrophobicContact CG2-CD2 3.79Å; T17-L183 HydrophobicContact CG2-CG 3.92Å; V151-L183 HydrophobicContact CG1-CD1 3.87Å; P153-L183 HydrophobicContact CB-CD1 4.06Å; P153-L183 HydrophobicContact CB-CD2 3.86Å; P153-L183 HydrophobicContact CG-CD1 4.35Å; P153-L183 HydrophobicContact CG-CD2 3.82Å; I156-L183 HydrophobicContact CD1-CD2 3.52Å; I156-L183 HydrophobicContact CG1-CD2 3.81Å; I156-L183 HydrophobicContact CG2-CD2 4.38Å; I178-L183 HydrophobicContact CG1-CB 3.97Å; I178-L183 HydrophobicContact CG2-CB 4.25Å; I178-L183 HydrophobicContact CG2-CD2 4.23Å; S179-L183 WeakPolarHBondContact O-CB 3.34Å; S179-L183 PolarHBondContact O-N 3.11Å; H181-L183 VanDerWaalsContact C-N 3.34Å; H181-L183 PolarHBondContact O-N 3.33Å; L183-H185 VanDerWaalsContact C-N 3.34Å; L183-F186 PolarHBondContact O-N 3.12Å; L183-F187 HydrophobicContact CD1-CE1 3.99Å; L183-F187 HydrophobicContact CD1-CE2 4.16Å; L183-F187 HydrophobicContact CD1-CZ 3.63Å; L183-F187 HydrophobicContact CD2-CE2 4.28Å; L183-F187 HydrophobicContact CD2-CZ 4.11Å; L183-F187 HydrophobicContact CG-CD2 4.5Å; L183-F187 HydrophobicContact CG-CE1 4.43Å; L183-F187 HydrophobicContact CG-CE2 3.7Å; L183-F187 HydrophobicContact CG-CZ 3.64Å; L183-F187 WeakPolarHBondContact O-CD2 3.36Å; L183-F187 WeakPolarHBondContact O-CG 3.48Å; L183-F187 PolarHBondContact O-N 3Å; L183-F187 VanDerWaalsContact O-N 3.11Å |
| 184 | G | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.8 | -43.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T21 K180 H181 F186 F187 V188 | T21-G184 WeakPolarHBondContact OG1-CA 3.44Å; K180-G184 PolarHBondContact O-N 3.22Å; H181-G184 PolarHBondContact O-N 2.84Å; G184-F186 VanDerWaalsContact C-N 3.33Å; G184-F186 PolarHBondContact O-N 3.06Å; G184-F187 PolarHBondContact O-N 2.9Å; G184-V188 WeakPolarHBondContact O-CG2 3.46Å; G184-V188 PolarHBondContact O-N 3.24Å; G184-V188 VanDerWaalsContact O-N 3.15Å |
| 185 | H | 98.6 | Very high | 97.4 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 19% | 0.185 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 175.2 | -176.6 | -97.3 | 0 | 0 | 0 | 111.4 | L162 E164 Y166 H181 D182 L183 F187 V188 K189 | L162-H185 HydrophobicContact CD1-CB 3.81Å; E164-H185 IonicContact OE1-CD2 2.87Å; E164-H185 IonicContact OE1-NE2 3.63Å; E164-H185 IonicContact OE2-CE1 3.48Å; E164-H185 IonicContact OE2-NE2 3.68Å; Y166-H185 HydrophobicContact CE1-CB 4.28Å; Y166-H185 AromaticContact CE1-ND1 3.54Å; Y166-H185 AromaticContact CZ-ND1 3.61Å; Y166-H185 PolarHBondContact OH-ND1 2.69Å; H181-H185 PolarHBondContact O-N 3.08Å; D182-H185 WeakPolarHBondContact O-CB 3.48Å; D182-H185 PolarHBondContact O-N 2.9Å; L183-H185 VanDerWaalsContact C-N 3.34Å; H185-F187 PolarHBondContact O-N 3.31Å; H185-V188 PolarHBondContact O-N 2.99Å; H185-K189 WeakPolarHBondContact O-CB 3.45Å; H185-K189 PolarHBondContact O-N 3.05Å |
| 186 | F | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 177.4 | -177.4 | -107 | 0 | 0 | 0 | 112.9 | V151 Y166 A168 D182 L183 G184 V188 K189 C190 W196 V201 V203 | V151-F186 HydrophobicContact CG1-CD1 4.01Å; V151-F186 HydrophobicContact CG1-CE1 4.03Å; V151-F186 HydrophobicContact CG2-CD1 4.17Å; V151-F186 HydrophobicContact CG2-CE1 3.79Å; Y166-F186 HydrophobicContact CE2-CB 3.81Å; Y166-F186 AromaticContact CE2-CD2 3.62Å; Y166-F186 HydrophobicContact CE2-CD2 3.62Å; Y166-F186 HydrophobicContact CE2-CG 4.07Å; Y166-F186 VanDerWaalsContact OH-CA 3.3Å; Y166-F186 WeakPolarHBondContact OH-CA 3.5Å; Y166-F186 PolarHBondContact OH-N 3.45Å; A168-F186 HydrophobicContact CB-CD2 4.3Å; A168-F186 HydrophobicContact CB-CE2 3.63Å; A168-F186 HydrophobicContact CB-CZ 4.04Å; D182-F186 PolarHBondContact O-N 3.01Å; L183-F186 PolarHBondContact O-N 3.12Å; G184-F186 VanDerWaalsContact C-N 3.33Å; G184-F186 PolarHBondContact O-N 3.06Å; F186-V188 VanDerWaalsContact C-N 3.35Å; F186-V188 PolarHBondContact O-N 2.83Å; F186-K189 PolarHBondContact O-N 2.85Å; F186-C190 VanDerWaalsContact CE1-SG 3.56Å; F186-C190 VanDerWaalsContact CZ-SG 3.51Å; F186-C190 PolarHBondContact O-N 3.07Å; F186-C190 PolarHBondContact O-SG 2.91Å; F186-W196 HydrophobicContact CZ-CD2 4.3Å; F186-W196 HydrophobicContact CZ-CG 4.28Å; F186-V201 HydrophobicContact CE1-CG1 4.32Å; F186-V201 HydrophobicContact CZ-CB 4.46Å; F186-V201 HydrophobicContact CZ-CG1 3.86Å; F186-V203 HydrophobicContact CB-CG1 4.35Å; F186-V203 HydrophobicContact CD1-CG1 4.39Å; F186-V203 HydrophobicContact CD1-CG2 3.57Å; F186-V203 HydrophobicContact CD2-CG2 4.5Å; F186-V203 HydrophobicContact CE1-CG2 3.47Å; F186-V203 VanDerWaalsContact CE1-CG2 3.47Å; F186-V203 HydrophobicContact CE2-CG2 4.42Å; F186-V203 HydrophobicContact CG-CG1 4.21Å; F186-V203 HydrophobicContact CG-CG2 4.09Å; F186-V203 HydrophobicContact CZ-CG2 3.93Å |
| 187 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 175.2 | -62 | -41.1 | 0 | 0 | 0 | 112.1 | T17 T21 I74 I76 I109 C111 V151 L183 G184 H185 C190 | T17-F187 HydrophobicContact CG2-CD2 4.44Å; T17-F187 HydrophobicContact CG2-CE2 3.74Å; T21-F187 HydrophobicContact CG2-CB 4.26Å; T21-F187 HydrophobicContact CG2-CD2 4.26Å; I74-F187 HydrophobicContact CD1-CB 4.22Å; I74-F187 HydrophobicContact CG2-CB 4.08Å; I74-F187 HydrophobicContact CG2-CD2 4.4Å; I74-F187 HydrophobicContact CG2-CG 4.21Å; I76-F187 HydrophobicContact CD1-CD2 3.66Å; I76-F187 HydrophobicContact CD1-CE2 3.71Å; I76-F187 HydrophobicContact CG1-CD2 4.22Å; I76-F187 HydrophobicContact CG1-CE2 3.98Å; I76-F187 HydrophobicContact CG2-CE2 4.49Å; I109-F187 HydrophobicContact CG2-CB 4.47Å; I109-F187 HydrophobicContact CG2-CD1 3.55Å; I109-F187 HydrophobicContact CG2-CE1 4.24Å; I109-F187 HydrophobicContact CG2-CG 4.4Å; C111-F187 HydrophobicContact CB-CE1 4.12Å; C111-F187 HydrophobicContact CB-CE2 4.42Å; C111-F187 HydrophobicContact CB-CZ 3.57Å; V151-F187 HydrophobicContact CB-CE1 3.7Å; V151-F187 HydrophobicContact CG1-CE1 3.78Å; V151-F187 HydrophobicContact CG1-CZ 4.5Å; V151-F187 HydrophobicContact CG2-CD1 4Å; V151-F187 HydrophobicContact CG2-CE1 3.68Å; L183-F187 HydrophobicContact CD1-CE1 3.99Å; L183-F187 HydrophobicContact CD1-CE2 4.16Å; L183-F187 HydrophobicContact CD1-CZ 3.63Å; L183-F187 HydrophobicContact CD2-CE2 4.28Å; L183-F187 HydrophobicContact CD2-CZ 4.11Å; L183-F187 HydrophobicContact CG-CD2 4.5Å; L183-F187 HydrophobicContact CG-CE1 4.43Å; L183-F187 HydrophobicContact CG-CE2 3.7Å; L183-F187 HydrophobicContact CG-CZ 3.64Å; L183-F187 WeakPolarHBondContact O-CD2 3.36Å; L183-F187 WeakPolarHBondContact O-CG 3.48Å; L183-F187 PolarHBondContact O-N 3Å; L183-F187 VanDerWaalsContact O-N 3.11Å; G184-F187 PolarHBondContact O-N 2.9Å; H185-F187 PolarHBondContact O-N 3.31Å; F187-C190 WeakPolarHBondContact O-CB 3.26Å; F187-C190 PolarHBondContact O-N 2.82Å |
| 188 | V | 98.3 | Very high | 97.9 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.4 | -41.7 | 178.3 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | T21 Q24 A25 A28 Y31 G184 H185 F186 C190 L191 | T21-V188 HydrophobicContact CG2-CG2 4.11Å; Q24-V188 HydrophobicContact CB-CG2 4.26Å; A25-V188 HydrophobicContact CB-CG2 3.87Å; A28-V188 HydrophobicContact CB-CG1 3.9Å; Y31-V188 HydrophobicContact CD2-CG1 4.31Å; Y31-V188 HydrophobicContact CE2-CG1 3.88Å; G184-V188 WeakPolarHBondContact O-CG2 3.46Å; G184-V188 PolarHBondContact O-N 3.24Å; G184-V188 VanDerWaalsContact O-N 3.15Å; H185-V188 PolarHBondContact O-N 2.99Å; F186-V188 VanDerWaalsContact C-N 3.35Å; F186-V188 PolarHBondContact O-N 2.83Å; V188-C190 VanDerWaalsContact C-N 3.27Å; V188-C190 PolarHBondContact O-N 3.34Å; V188-L191 VanDerWaalsContact O-CB 3.28Å; V188-L191 WeakPolarHBondContact O-CB 3.21Å; V188-L191 PolarHBondContact O-N 2.95Å; V188-L191 VanDerWaalsContact O-N 3.09Å |
| 189 | K | 97.4 | Very high | 97.9 | Very high | 104 Ų | 104 | 40.7 Ų | 40.7 | 45% | 0.452 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.6 | -36.4 | 175.7 | -175.5 | 177.3 | 179.3 | 178.5 | 0 | 112.3 | H185 F186 L191 S192 | H185-K189 WeakPolarHBondContact O-CB 3.45Å; H185-K189 PolarHBondContact O-N 3.05Å; F186-K189 PolarHBondContact O-N 2.85Å; K189-L191 PolarHBondContact O-N 2.82Å; K189-S192 PolarHBondContact O-N 2.56Å; K189-S192 PolarHBondContact O-OG 3.15Å; K189-S192 VanDerWaalsContact O-OG 3.12Å |
| 190 | C | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.3 | -21.2 | 177.9 | -72.4 | 0 | 0 | 0 | 0 | 113.5 | K107 I109 F186 F187 V188 S192 | K107-C190 WeakPolarHBondContact CE-O 3.31Å; K107-C190 PolarHBondContact NZ-O 2.69Å; I109-C190 HydrophobicContact CD1-CB 4.34Å; I109-C190 HydrophobicContact CG1-CB 3.67Å; I109-C190 HydrophobicContact CG2-CB 4.45Å; F186-C190 VanDerWaalsContact CE1-SG 3.56Å; F186-C190 VanDerWaalsContact CZ-SG 3.51Å; F186-C190 PolarHBondContact O-N 3.07Å; F186-C190 PolarHBondContact O-SG 2.91Å; F187-C190 WeakPolarHBondContact O-CB 3.26Å; F187-C190 PolarHBondContact O-N 2.82Å; V188-C190 VanDerWaalsContact C-N 3.27Å; V188-C190 PolarHBondContact O-N 3.34Å; C190-S192 VanDerWaalsContact C-N 3.29Å; C190-S192 PolarHBondContact O-N 2.91Å |
| 191 | L | 97.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -26.8 | 177.2 | -62.6 | 168.4 | 0 | 0 | 0 | 112.6 | I5 V8 Y31 A72 I74 I109 V188 K189 | I5-L191 WeakPolarHBondContact CD1-O 3.33Å; I5-L191 HydrophobicContact CG2-CD2 4.37Å; V8-L191 HydrophobicContact CG1-CD1 4.17Å; V8-L191 HydrophobicContact CG1-CD2 4.14Å; V8-L191 HydrophobicContact CG2-CD1 3.83Å; V8-L191 HydrophobicContact CG2-CD2 4.19Å; Y31-L191 HydrophobicContact CD1-CD1 4.44Å; Y31-L191 HydrophobicContact CD2-CD1 4.14Å; Y31-L191 HydrophobicContact CE1-CB 4.18Å; Y31-L191 HydrophobicContact CE1-CD1 4.07Å; Y31-L191 HydrophobicContact CE2-CB 4.39Å; Y31-L191 HydrophobicContact CE2-CD1 3.74Å; Y31-L191 HydrophobicContact CG-CD1 4.49Å; Y31-L191 VanDerWaalsContact OH-CB 3.23Å; Y31-L191 WeakPolarHBondContact OH-CB 3.42Å; A72-L191 HydrophobicContact CB-CD2 3.62Å; I74-L191 HydrophobicContact CD1-CD1 4.06Å; I74-L191 HydrophobicContact CD1-CD2 4.39Å; I74-L191 HydrophobicContact CD1-CG 4.36Å; I74-L191 HydrophobicContact CG1-CD2 4.32Å; I109-L191 HydrophobicContact CD1-CD2 3.68Å; I109-L191 HydrophobicContact CD1-CG 4.39Å; V188-L191 VanDerWaalsContact O-CB 3.28Å; V188-L191 WeakPolarHBondContact O-CB 3.21Å; V188-L191 PolarHBondContact O-N 2.95Å; V188-L191 VanDerWaalsContact O-N 3.09Å; K189-L191 PolarHBondContact O-N 2.82Å |
| 192 | S | 94.8 | Very high | 97.9 | Very high | 93 Ų | 93 | 35.9 Ų | 35.9 | 65% | 0.65 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 6.3 | -175.9 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | K189 C190 | K189-S192 PolarHBondContact O-N 2.56Å; K189-S192 PolarHBondContact O-OG 3.15Å; K189-S192 VanDerWaalsContact O-OG 3.12Å; C190-S192 VanDerWaalsContact C-N 3.29Å; C190-S192 PolarHBondContact O-N 2.91Å |
| 193 | T | 95.5 | Very high | 97.9 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 26% | 0.258 | 18% | 0.184 | S | C | . | . | trans | -139.5 | 146.4 | 179.1 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | K107 E195 | K107-T193 PolarHBondContact NZ-O 3.49Å; T193-E195 HydrophobicContact CG2-CB 4.44Å; T193-E195 VanDerWaalsContact OG1-CB 3.31Å; T193-E195 WeakPolarHBondContact OG1-CB 3.01Å; T193-E195 PolarHBondContact OG1-N 3.12Å; T193-E195 VanDerWaalsContact OG1-N 3.12Å | ||
| 194 | S | 96.6 | Very high | 97.9 | Very high | 88 Ų | 88 | 36.4 Ų | 36.4 | 62% | 0.615 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -96.9 | 0.3 | 170.8 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | W196 D197 | S194-W196 PolarHBondContact O-N 3.22Å; S194-D197 VanDerWaalsContact CA-OD2 3.28Å; S194-D197 WeakPolarHBondContact CA-OD2 3.36Å; S194-D197 WeakPolarHBondContact CB-OD2 3.09Å; S194-D197 WeakPolarHBondContact O-CB 3.33Å; S194-D197 PolarHBondContact O-N 2.94Å |
| 195 | E | 97.6 | Very high | 97.7 | Very high | 104 Ų | 104 | 36.8 Ų | 36.8 | 49% | 0.486 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -34.3 | -179 | 179.9 | -174.4 | 179.8 | 0 | 0 | 113.1 | T193 K199 | T193-E195 HydrophobicContact CG2-CB 4.44Å; T193-E195 VanDerWaalsContact OG1-CB 3.31Å; T193-E195 WeakPolarHBondContact OG1-CB 3.01Å; T193-E195 PolarHBondContact OG1-N 3.12Å; T193-E195 VanDerWaalsContact OG1-N 3.12Å; E195-K199 WeakPolarHBondContact O-CD 3.17Å; E195-K199 VanDerWaalsContact O-CE 3.26Å; E195-K199 WeakPolarHBondContact O-CE 3.48Å; E195-K199 PolarHBondContact O-NZ 2.99Å |
| 196 | W | 98.3 | Very high | 97.3 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 9% | 0.087 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 0.3 | -174.3 | -55.5 | 107.4 | 0 | 0 | 0 | 114 | V149 A168 F186 S194 R198 K199 V201 | V149-W196 HydrophobicContact CB-CB 4.41Å; V149-W196 HydrophobicContact CG1-CB 3.68Å; V149-W196 HydrophobicContact CG2-CB 3.85Å; A168-W196 HydrophobicContact CB-CH2 3.97Å; A168-W196 HydrophobicContact CB-CZ2 3.91Å; F186-W196 HydrophobicContact CZ-CD2 4.3Å; F186-W196 HydrophobicContact CZ-CG 4.28Å; S194-W196 PolarHBondContact O-N 3.22Å; W196-R198 PolarHBondContact O-N 3.39Å; W196-K199 HydrophobicContact CE3-CD 4.29Å; W196-K199 WeakPolarHBondContact O-CB 3.23Å; W196-K199 PolarHBondContact O-N 2.79Å; W196-K199 VanDerWaalsContact O-N 3.11Å; W196-V201 HydrophobicContact CB-CG2 4.25Å; W196-V201 HydrophobicContact CD2-CG1 4.34Å; W196-V201 HydrophobicContact CD2-CG2 4.1Å; W196-V201 HydrophobicContact CE3-CB 4.27Å; W196-V201 HydrophobicContact CE3-CG1 3.75Å; W196-V201 HydrophobicContact CE3-CG2 3.45Å; W196-V201 VanDerWaalsContact CE3-CG2 3.45Å; W196-V201 HydrophobicContact CG-CG2 4.45Å; W196-V201 HydrophobicContact CH2-CG1 4.37Å; W196-V201 HydrophobicContact CZ3-CG1 3.76Å; W196-V201 HydrophobicContact CZ3-CG2 4.16Å |
| 197 | D | 98.4 | Very high | 96.9 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 133.2 | -175.2 | -70.7 | -15.3 | 0 | 0 | 0 | 111.5 | K107 D147 S194 K199 | K107-D197 IonicContact NZ-OD1 2.99Å; K107-D197 PolarHBondContact NZ-OD1 3.05Å; K107-D197 IonicContact NZ-OD2 2.69Å; D147-D197 HydrophobicContact CB-CB 4.28Å; S194-D197 VanDerWaalsContact CA-OD2 3.28Å; S194-D197 WeakPolarHBondContact CA-OD2 3.36Å; S194-D197 WeakPolarHBondContact CB-OD2 3.09Å; S194-D197 WeakPolarHBondContact O-CB 3.33Å; S194-D197 PolarHBondContact O-N 2.94Å; D197-K199 PolarHBondContact O-N 2.8Å |
| 198 | R | 98.1 | Very high | 95.9 | Very high | 133 Ų | 133 | 57.7 Ų | 57.7 | 50% | 0.502 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 20 | -176.5 | -44.5 | 179.7 | 91.8 | 125.1 | -4.3 | 113.6 | D147 Y148 W196 | D147-R198 IonicContact OD1-NH1 3.8Å; Y148-R198 HydrophobicContact CE1-CB 4.16Å; Y148-R198 VanDerWaalsContact O-CA 3.23Å; Y148-R198 WeakPolarHBondContact O-CA 3.39Å; Y148-R198 PolarHBondContact O-N 2.8Å; Y148-R198 PolarHBondContact OH-O 3.38Å; Y148-R198 VanDerWaalsContact OH-O 3.06Å; W196-R198 PolarHBondContact O-N 3.39Å |
| 199 | K | 98.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 60 Ų | 60 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 153 | 179.1 | -60.9 | -179.5 | 176.9 | 172.3 | 0 | 112.4 | A150 E170 E195 W196 D197 V201 | A150-K199 PolarHBondContact N-O 3.12Å; E170-K199 HydrophobicContact CB-CD 4.4Å; E170-K199 HydrophobicContact CG-CB 4.3Å; E170-K199 HydrophobicContact CG-CD 4.25Å; E170-K199 HydrophobicContact CG-CG 4.39Å; E170-K199 VanDerWaalsContact OE2-CD 3.24Å; E170-K199 WeakPolarHBondContact OE2-CD 3.31Å; E170-K199 WeakPolarHBondContact OE2-CE 3.47Å; E170-K199 IonicContact OE2-NZ 3.12Å; E195-K199 WeakPolarHBondContact O-CD 3.17Å; E195-K199 VanDerWaalsContact O-CE 3.26Å; E195-K199 WeakPolarHBondContact O-CE 3.48Å; E195-K199 PolarHBondContact O-NZ 2.99Å; W196-K199 HydrophobicContact CE3-CD 4.29Å; W196-K199 WeakPolarHBondContact O-CB 3.23Å; W196-K199 PolarHBondContact O-N 2.79Å; W196-K199 VanDerWaalsContact O-N 3.11Å; D197-K199 PolarHBondContact O-N 2.8Å; K199-V201 HydrophobicContact CB-CG2 4.08Å |
| 200 | T | 98.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.6 | 162.4 | -64.8 | 0 | 0 | 0 | 0 | 108.2 | L117 Y138 A150 M152 E170 N171 | L117-T200 HydrophobicContact CD2-CG2 3.68Å; Y138-T200 WeakPolarHBondContact CE2-OG1 3.47Å; Y138-T200 PolarHBondContact OH-OG1 3.15Å; A150-T200 CarbonylContact O-C 3.42Å; A150-T200 WeakPolarHBondContact O-CA 3.23Å; M152-T200 HydrophobicContact CE-CG2 3.32Å; M152-T200 HydrophobicContact CG-CG2 4.03Å; M152-T200 HydrophobicContact SD-CG2 3.24Å; M152-T200 WeakPolarHBondContact SD-CG2 3.42Å; E170-T200 CarbonylContact C-O 3.4Å; E170-T200 VanDerWaalsContact CA-O 3.28Å; E170-T200 WeakPolarHBondContact CA-O 3.5Å; N171-T200 PolarHBondContact N-O 3.06Å; N171-T200 WeakPolarHBondContact OD1-CB 3.46Å |
| 201 | V | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 118.2 | -170.3 | -166.6 | 0 | 0 | 0 | 0 | 110.6 | V149 A150 V151 M152 A168 T169 F186 W196 K199 V203 | V149-V201 HydrophobicContact CG1-CG2 3.96Å; A150-V201 PolarHBondContact O-N 2.8Å; V151-V201 WeakPolarHBondContact CA-O 3.18Å; M152-V201 PolarHBondContact N-O 3.47Å; A168-V201 HydrophobicContact CB-CG1 4Å; T169-V201 WeakPolarHBondContact O-CA 3.47Å; F186-V201 HydrophobicContact CE1-CG1 4.32Å; F186-V201 HydrophobicContact CZ-CB 4.46Å; F186-V201 HydrophobicContact CZ-CG1 3.86Å; W196-V201 HydrophobicContact CB-CG2 4.25Å; W196-V201 HydrophobicContact CD2-CG1 4.34Å; W196-V201 HydrophobicContact CD2-CG2 4.1Å; W196-V201 HydrophobicContact CE3-CB 4.27Å; W196-V201 HydrophobicContact CE3-CG1 3.75Å; W196-V201 HydrophobicContact CE3-CG2 3.45Å; W196-V201 VanDerWaalsContact CE3-CG2 3.45Å; W196-V201 HydrophobicContact CG-CG2 4.45Å; W196-V201 HydrophobicContact CH2-CG1 4.37Å; W196-V201 HydrophobicContact CZ3-CG1 3.76Å; W196-V201 HydrophobicContact CZ3-CG2 4.16Å; K199-V201 HydrophobicContact CB-CG2 4.08Å; V201-V203 HydrophobicContact CG1-CG2 4.04Å |
| 202 | G | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 134.5 | 166 | 0 | 0 | 0 | 0 | 0 | 110.2 | A168 T169 M172 | A168-G202 WeakPolarHBondContact CA-O 3.39Å; T169-G202 PolarHBondContact N-O 2.91Å; T169-G202 PolarHBondContact O-N 3.3Å; M172-G202 WeakPolarHBondContact O-CA 3.31Å |
| 203 | V | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.6 | -177.8 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | V151 P154 Y166 S167 A168 I178 F186 V201 | V151-V203 HydrophobicContact CG1-CB 4.39Å; V151-V203 HydrophobicContact CG1-CG2 3.75Å; P154-V203 WeakPolarHBondContact CD-O 3.2Å; Y166-V203 HydrophobicContact CD2-CG1 3.83Å; Y166-V203 HydrophobicContact CE2-CG1 4.36Å; Y166-V203 HydrophobicContact CG-CG1 4.43Å; S167-V203 VanDerWaalsContact O-CA 3.31Å; S167-V203 WeakPolarHBondContact O-CA 3.35Å; A168-V203 HydrophobicContact CB-CG2 4.23Å; I178-V203 HydrophobicContact CD1-CG1 4.08Å; I178-V203 HydrophobicContact CG1-CG1 4.41Å; F186-V203 HydrophobicContact CB-CG1 4.35Å; F186-V203 HydrophobicContact CD1-CG1 4.39Å; F186-V203 HydrophobicContact CD1-CG2 3.57Å; F186-V203 HydrophobicContact CD2-CG2 4.5Å; F186-V203 HydrophobicContact CE1-CG2 3.47Å; F186-V203 VanDerWaalsContact CE1-CG2 3.47Å; F186-V203 HydrophobicContact CE2-CG2 4.42Å; F186-V203 HydrophobicContact CG-CG1 4.21Å; F186-V203 HydrophobicContact CG-CG2 4.09Å; F186-V203 HydrophobicContact CZ-CG2 3.93Å; V201-V203 HydrophobicContact CG1-CG2 4.04Å |
| 204 | W | 98.2 | Very high | 95.5 | Very high | 11 Ų | 11 | 63.5 Ų | 63.5 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 150.8 | -178.5 | 69.3 | 93.1 | 0 | 0 | 0 | 111.7 | P154 Y166 S167 T169 L173 K174 G175 | P154-W204 HydrophobicContact CG-CB 4.2Å; Y166-W204 CarbonylContact C-O 3.54Å; Y166-W204 WeakPolarHBondContact CA-O 3.21Å; Y166-W204 WeakPolarHBondContact CB-O 3.41Å; S167-W204 PolarHBondContact N-O 3.21Å; S167-W204 PolarHBondContact O-N 2.86Å; T169-W204 WeakPolarHBondContact OG1-CH2 3.4Å; L173-W204 HydrophobicContact CD1-CB 4.2Å; L173-W204 HydrophobicContact CD1-CD2 4.34Å; L173-W204 HydrophobicContact CD1-CE3 3.63Å; L173-W204 HydrophobicContact CD1-CZ3 4.4Å; L173-W204 HydrophobicContact CG-CE3 4.28Å; K174-W204 HydrophobicContact CB-CH2 4.34Å; K174-W204 HydrophobicContact CB-CZ2 3.69Å; K174-W204 HydrophobicContact CD-CZ2 4.18Å; K174-W204 HydrophobicContact CG-CH2 4.31Å; K174-W204 HydrophobicContact CG-CZ2 3.98Å; G175-W204 VanDerWaalsContact CA-CG 3.49Å; G175-W204 VanDerWaalsContact N-CD1 3.29Å; G175-W204 VanDerWaalsContact N-CG 3.28Å |
| 205 | G | 95.6 | Very high | 95.4 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 164.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A177 | A177-G205 PolarHBondContact O-N 3.39Å |
| 206 | E | 90.6 | Very high | 95.2 | Very high | 152 Ų | 152 | 58.5 Ų | 58.5 | 71% | 0.71 | 26% | 0.257 | S | S | * | . | trans | -119.8 | 109.2 | 166.2 | -69.3 | -178.3 | -170.3 | 0 | 0 | 108 | ||||
| 207 | Y | 89.9 | Confident | 95 | Very high | 54 Ų | 54 | 61.5 Ų | 61.5 | 21% | 0.212 | 27% | 0.271 | C | S | . | . | trans | -107.7 | 116.7 | -178.9 | -53.8 | -88 | 0 | 0 | 0 | 107 | L160 T163 S179 D182 | L160-Y207 HydrophobicContact CB-CD1 3.99Å; L160-Y207 HydrophobicContact CB-CE1 4.1Å; L160-Y207 HydrophobicContact CB-CG 4.28Å; L160-Y207 HydrophobicContact CD1-CD1 4.19Å; L160-Y207 HydrophobicContact CD1-CD2 3.38Å; L160-Y207 HydrophobicContact CD1-CE2 3.77Å; L160-Y207 HydrophobicContact CD1-CG 3.63Å; L160-Y207 HydrophobicContact CD2-CG 4.2Å; L160-Y207 HydrophobicContact CG-CD1 4.45Å; L160-Y207 HydrophobicContact CG-CD2 4.43Å; L160-Y207 HydrophobicContact CG-CG 4.25Å; T163-Y207 HydrophobicContact CG2-CD1 4.06Å; T163-Y207 HydrophobicContact CG2-CE1 3.87Å; S179-Y207 WeakPolarHBondContact CB-OH 3.18Å; S179-Y207 PolarHBondContact N-OH 2.89Å; D182-Y207 VanDerWaalsContact OD2-CE1 3.23Å; D182-Y207 WeakPolarHBondContact OD2-CE1 3.39Å; D182-Y207 VanDerWaalsContact OD2-CZ 3.3Å; D182-Y207 PolarHBondContact OD2-OH 2.83Å | ||
| 208 | K | 76.4 | Confident | 94.7 | Very high | 276 Ų | 276 | 63.5 Ų | 63.5 | 100% | 1.2 | 28% | 0.277 | S | S | * | . | trans | -91.1 | 0 | 174.8 | -69 | -175.3 | -179.9 | -179.4 | 0 | 110 |
Retrieved 208 of 208 residues in 1041.5 ms
(Link to these results)