| 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 | 49.5 | Very low | 52 | Low | 148 Ų | 148 | 94.5 Ų | 94.5 | 73% | 0.729 | 53% | 0.525 | S | S | * | . | 0 | 142.4 | 0 | -169.6 | 172.1 | -70.6 | 0 | 0 | 107.8 | D5 I6 T106 | M1-D5 HydrophobicContact CG-CB 3.69Å; M1-D5 HydrophobicContact SD-CB 4.17Å; M1-I6 HydrophobicContact CB-CG1 4.38Å; M1-I6 HydrophobicContact CG-CG1 4Å; M1-I6 HydrophobicContact SD-CG1 3.69Å; M1-T106 PolarHBondContact O-OG1 3.15Å | |||
| 2 | K | 53.8 | Low | 51.8 | Low | 157 Ų | 157 | 94.9 Ų | 94.9 | 68% | 0.683 | 54% | 0.539 | S | S | * | . | trans | -76.4 | 144.9 | 176.1 | -63 | 176 | 179.5 | 175.2 | 0 | 108.1 | K4 D5 I6 | K2-K4 PolarHBondContact O-N 2.69Å; K2-K4 VanDerWaalsContact O-N 3.08Å; K2-D5 WeakPolarHBondContact CB-OD2 3.32Å; K2-D5 PolarHBondContact N-OD2 3.21Å; K2-D5 VanDerWaalsContact N-OD2 3.15Å; K2-D5 WeakPolarHBondContact O-CB 3.47Å; K2-D5 PolarHBondContact O-N 3.41Å; K2-I6 PolarHBondContact O-N 3.03Å | ||
| 3 | P | 54.7 | Low | 52.4 | Low | 12 Ų | 12 | 91.4 Ų | 91.4 | 8% | 0.078 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -58.5 | -28.6 | -177.3 | 9.5 | -21.1 | 0 | 0 | 0 | 113.4 | D5 I6 I7 L91 N95 T106 L125 Y127 | P3-D5 VanDerWaalsContact C-N 3.27Å; P3-D5 PolarHBondContact O-N 3.14Å; P3-I6 PolarHBondContact O-N 2.84Å; P3-I7 WeakPolarHBondContact O-CD1 3.42Å; P3-I7 WeakPolarHBondContact O-CG1 3.49Å; P3-I7 PolarHBondContact O-N 3.15Å; P3-L91 HydrophobicContact CB-CD2 4.28Å; P3-N95 WeakPolarHBondContact CG-OD1 3.46Å; P3-T106 HydrophobicContact CB-CG2 4Å; P3-T106 HydrophobicContact CG-CG2 3.79Å; P3-L125 HydrophobicContact CB-CD2 4.38Å; P3-Y127 HydrophobicContact CG-CE1 4.42Å |
| 4 | K | 53.6 | Low | 53.7 | Low | 158 Ų | 158 | 92.5 Ų | 92.5 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.3 | -32.9 | 172.8 | -68.5 | -172 | 175.9 | -174.3 | 0 | 113.3 | K2 I7 A8 | K2-K4 PolarHBondContact O-N 2.69Å; K2-K4 VanDerWaalsContact O-N 3.08Å; K4-I7 PolarHBondContact O-N 3.03Å; K4-A8 VanDerWaalsContact O-CB 3.3Å; K4-A8 WeakPolarHBondContact O-CB 3.36Å; K4-A8 PolarHBondContact O-N 3.2Å |
| 5 | D | 55.8 | Low | 55.7 | Low | 88 Ų | 88 | 88.7 Ų | 88.7 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -76.7 | -32.1 | -179.2 | -46 | -34.6 | 0 | 0 | 0 | 111 | M1 K2 P3 I7 | M1-D5 HydrophobicContact CG-CB 3.69Å; M1-D5 HydrophobicContact SD-CB 4.17Å; K2-D5 WeakPolarHBondContact CB-OD2 3.32Å; K2-D5 PolarHBondContact N-OD2 3.21Å; K2-D5 VanDerWaalsContact N-OD2 3.15Å; K2-D5 WeakPolarHBondContact O-CB 3.47Å; K2-D5 PolarHBondContact O-N 3.41Å; P3-D5 VanDerWaalsContact C-N 3.27Å; P3-D5 PolarHBondContact O-N 3.14Å; D5-I7 PolarHBondContact O-N 3.05Å |
| 6 | I | 57.2 | Low | 57.8 | Low | 27 Ų | 27 | 83.8 Ų | 83.8 | 14% | 0.138 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64 | -33.2 | 173.2 | -63.2 | 177.9 | 0 | 0 | 0 | 110.6 | M1 K2 P3 T106 L108 L125 | M1-I6 HydrophobicContact CB-CG1 4.38Å; M1-I6 HydrophobicContact CG-CG1 4Å; M1-I6 HydrophobicContact SD-CG1 3.69Å; K2-I6 PolarHBondContact O-N 3.03Å; P3-I6 PolarHBondContact O-N 2.84Å; I6-T106 WeakPolarHBondContact CD1-OG1 3.47Å; I6-L108 HydrophobicContact CG2-CD1 3.58Å; I6-L108 HydrophobicContact CG2-CD2 4.19Å; I6-L108 HydrophobicContact CG2-CG 3.76Å; I6-L125 HydrophobicContact CD1-CD1 3.98Å |
| 7 | I | 56.6 | Low | 59.9 | Low | 41 Ų | 41 | 80.7 Ų | 80.7 | 21% | 0.21 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -87.8 | -36.1 | -177.3 | -59.5 | 161.3 | 0 | 0 | 0 | 111.1 | P3 K4 D5 G9 K10 L13 L91 | P3-I7 WeakPolarHBondContact O-CD1 3.42Å; P3-I7 WeakPolarHBondContact O-CG1 3.49Å; P3-I7 PolarHBondContact O-N 3.15Å; K4-I7 PolarHBondContact O-N 3.03Å; D5-I7 PolarHBondContact O-N 3.05Å; I7-G9 PolarHBondContact O-N 3.02Å; I7-K10 CarbonylContact O-C 3.49Å; I7-K10 PolarHBondContact O-N 3.23Å; I7-L13 HydrophobicContact CB-CD1 4.34Å; I7-L13 HydrophobicContact CG1-CD1 3.83Å; I7-L13 HydrophobicContact CG2-CD1 4.06Å; I7-L91 HydrophobicContact CD1-CD1 3.07Å; I7-L91 HydrophobicContact CD1-CD2 4.15Å; I7-L91 HydrophobicContact CD1-CG 4.21Å; I7-L91 HydrophobicContact CG1-CD1 4.41Å |
| 8 | A | 50.8 | Low | 61.8 | Low | 86 Ų | 86 | 76.2 Ų | 76.2 | 71% | 0.711 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.2 | -25.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K4 | K4-A8 VanDerWaalsContact O-CB 3.3Å; K4-A8 WeakPolarHBondContact O-CB 3.36Å; K4-A8 PolarHBondContact O-N 3.2Å |
| 9 | G | 48.3 | Very low | 63.7 | Low | 68 Ų | 68 | 72.3 Ų | 72.3 | 70% | 0.701 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I7 | I7-G9 PolarHBondContact O-N 3.02Š|
| 10 | K | 50.3 | Low | 65.3 | Low | 111 Ų | 111 | 68.8 Ų | 68.8 | 48% | 0.483 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -126.5 | 97.4 | -179.1 | -71.7 | -176.4 | 179 | 178.4 | 0 | 109.3 | I7 S12 | I7-K10 CarbonylContact O-C 3.49Å; I7-K10 PolarHBondContact O-N 3.23Å; K10-S12 PolarHBondContact O-N 2.57Å; K10-S12 VanDerWaalsContact O-N 3.14Å |
| 11 | T | 41.4 | Very low | 66.8 | Low | 144 Ų | 144 | 66.3 Ų | 66.3 | 88% | 0.883 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -37.5 | 114.6 | 175.3 | -41.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 12 | S | 49.7 | Very low | 68.9 | Low | 99 Ų | 99 | 59.6 Ų | 59.6 | 69% | 0.692 | 34% | 0.344 | S | S | * | . | trans | 43.8 | 81.3 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 115 | K10 T14 | K10-S12 PolarHBondContact O-N 2.57Å; K10-S12 VanDerWaalsContact O-N 3.14Å; S12-T14 PolarHBondContact O-N 3.16Å | ||
| 13 | L | 58.9 | Low | 70.8 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | trans | -59.3 | 101.3 | 164.9 | -73.4 | 169.4 | 0 | 0 | 0 | 109.7 | I7 S15 L16 | I7-L13 HydrophobicContact CB-CD1 4.34Å; I7-L13 HydrophobicContact CG1-CD1 3.83Å; I7-L13 HydrophobicContact CG2-CD1 4.06Å; L13-S15 PolarHBondContact O-N 2.9Å; L13-L16 HydrophobicContact CD1-CB 4.48Å; L13-L16 HydrophobicContact CD1-CD1 4.26Å | ||
| 14 | T | 71.8 | Confident | 72.7 | Confident | 107 Ų | 107 | 53.6 Ų | 53.6 | 66% | 0.656 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -68.9 | -24.5 | 171.8 | 50.1 | 0 | 0 | 0 | 0 | 111.4 | S12 T83 G84 | S12-T14 PolarHBondContact O-N 3.16Å; T14-T83 VanDerWaalsContact O-CA 3.3Å; T14-T83 WeakPolarHBondContact O-CA 3.18Å; T14-T83 WeakPolarHBondContact O-CB 3.36Å; T14-G84 PolarHBondContact O-N 3.07Å; T14-G84 VanDerWaalsContact O-N 3.1Å |
| 15 | S | 83.2 | Confident | 74.7 | Confident | 35 Ų | 35 | 47 Ų | 47 | 25% | 0.245 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 143.8 | 175.9 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | L13 E81 V82 | L13-S15 PolarHBondContact O-N 2.9Å; S15-E81 WeakPolarHBondContact OG-CG 3.33Å; S15-E81 PolarHBondContact OG-OE1 3.12Å; S15-V82 CarbonylContact C-O 3.31Å; S15-V82 WeakPolarHBondContact CA-O 3.27Å |
| 16 | L | 89.8 | Confident | 76.5 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 135.2 | 174.8 | 174.6 | 66.2 | 0 | 0 | 0 | 109.2 | L13 I18 V82 V87 L91 L125 | L13-L16 HydrophobicContact CD1-CB 4.48Å; L13-L16 HydrophobicContact CD1-CD1 4.26Å; L16-I18 HydrophobicContact CD2-CG1 4.45Å; L16-V82 HydrophobicContact CB-CG2 3.98Å; L16-V82 HydrophobicContact CG-CG2 4.49Å; L16-V82 PolarHBondContact N-O 3.37Å; L16-V82 VanDerWaalsContact O-CG2 3.26Å; L16-V82 WeakPolarHBondContact O-CG2 3.4Å; L16-V82 PolarHBondContact O-N 2.93Å; L16-V87 HydrophobicContact CB-CG1 4.37Å; L16-V87 HydrophobicContact CB-CG2 4.41Å; L16-V87 HydrophobicContact CD2-CG1 4.23Å; L16-L91 HydrophobicContact CD2-CD1 4.39Å; L16-L91 HydrophobicContact CD2-CD2 4.02Å; L16-L91 HydrophobicContact CD2-CG 4.4Å; L16-L125 HydrophobicContact CD1-CB 4.19Å; L16-L125 HydrophobicContact CD2-CB 4.42Å; L16-L125 HydrophobicContact CD2-CD2 4.12Å |
| 17 | W | 93.6 | Very high | 78.2 | Confident | 31 Ų | 31 | 48 Ų | 48 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 140 | 169.2 | -68 | 88.4 | 0 | 0 | 0 | 110.4 | S34 Q36 A79 F80 E81 Q122 A124 L125 | W17-S34 WeakPolarHBondContact CH2-OG 3.13Å; W17-Q36 HydrophobicContact CH2-CG 4.07Å; W17-Q36 HydrophobicContact CZ3-CB 4.45Å; W17-Q36 HydrophobicContact CZ3-CG 4.24Å; W17-A79 HydrophobicContact CE3-CB 3.63Å; W17-A79 HydrophobicContact CZ3-CB 4.19Å; W17-F80 CarbonylContact C-O 3.55Å; W17-F80 VanDerWaalsContact CA-O 3.32Å; W17-F80 WeakPolarHBondContact CA-O 3.35Å; W17-E81 HydrophobicContact CD2-CB 3.92Å; W17-E81 HydrophobicContact CD2-CG 4.3Å; W17-E81 HydrophobicContact CE3-CB 3.88Å; W17-E81 HydrophobicContact CH2-CB 3.69Å; W17-E81 HydrophobicContact CH2-CG 4.4Å; W17-E81 HydrophobicContact CZ2-CB 3.69Å; W17-E81 HydrophobicContact CZ2-CG 3.9Å; W17-E81 HydrophobicContact CZ3-CB 3.78Å; W17-Q122 VanDerWaalsContact CD2-OE1 3.28Å; W17-Q122 HydrophobicContact CG-CB 4.49Å; W17-Q122 VanDerWaalsContact CZ2-OE1 3.23Å; W17-A124 HydrophobicContact CB-CB 3.9Å; W17-A124 CarbonylContact O-C 3.58Å; W17-A124 WeakPolarHBondContact O-CA 3.15Å; W17-L125 PolarHBondContact O-N 3.2Å |
| 18 | I | 94 | Very high | 79.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.2 | 174.5 | -63.5 | 161.6 | 0 | 0 | 0 | 107.8 | L16 L24 F30 A79 F80 V82 L94 L125 | L16-I18 HydrophobicContact CD2-CG1 4.45Å; I18-L24 HydrophobicContact CG2-CD1 4.47Å; I18-F30 HydrophobicContact CB-CZ 4.48Å; I18-F30 HydrophobicContact CD1-CE2 4.29Å; I18-F30 HydrophobicContact CD1-CZ 4.25Å; I18-F30 HydrophobicContact CG2-CZ 4.41Å; I18-A79 CarbonylContact O-C 3.23Å; I18-A79 WeakPolarHBondContact O-CA 3.43Å; I18-F80 PolarHBondContact N-O 2.9Å; I18-F80 PolarHBondContact O-N 2.86Å; I18-V82 HydrophobicContact CD1-CG1 4.12Å; I18-V82 HydrophobicContact CD1-CG2 3.85Å; I18-V82 HydrophobicContact CG1-CG2 4.45Å; I18-L94 HydrophobicContact CD1-CD1 3.8Å; I18-L94 HydrophobicContact CG1-CD1 4.44Å; I18-L94 HydrophobicContact CG2-CD1 3.9Å; I18-L125 WeakPolarHBondContact CA-O 3.31Å |
| 19 | F | 96.6 | Very high | 81.4 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.6 | -179.1 | -174.6 | -102.8 | 0 | 0 | 0 | 111.7 | Y21 I40 A79 F111 A124 L125 L126 | F19-Y21 HydrophobicContact CD1-CD1 4.33Å; F19-Y21 HydrophobicContact CE1-CD1 4.48Å; F19-I40 HydrophobicContact CD1-CD1 3.88Å; F19-I40 HydrophobicContact CD1-CG1 4.36Å; F19-I40 HydrophobicContact CD1-CG2 4.04Å; F19-I40 HydrophobicContact CD2-CG2 4.02Å; F19-I40 HydrophobicContact CE1-CB 4.47Å; F19-I40 HydrophobicContact CE1-CD1 3.6Å; F19-I40 HydrophobicContact CE1-CG1 3.73Å; F19-I40 HydrophobicContact CE1-CG2 3.95Å; F19-I40 HydrophobicContact CE2-CG2 3.97Å; F19-I40 HydrophobicContact CG-CG2 4.04Å; F19-I40 HydrophobicContact CZ-CD1 4.39Å; F19-I40 HydrophobicContact CZ-CG1 4.03Å; F19-I40 HydrophobicContact CZ-CG2 3.92Å; F19-A79 HydrophobicContact CD2-CB 4.43Å; F19-F111 AromaticContact CD2-CD2 3.56Å; F19-F111 HydrophobicContact CD2-CD2 3.56Å; F19-F111 AromaticContact CD2-CE2 3.96Å; F19-F111 HydrophobicContact CD2-CE2 3.96Å; F19-F111 HydrophobicContact CD2-CG 4.45Å; F19-F111 AromaticContact CE2-CD2 3.64Å; F19-F111 HydrophobicContact CE2-CD2 3.64Å; F19-F111 AromaticContact CE2-CE2 3.8Å; F19-F111 HydrophobicContact CE2-CE2 3.8Å; F19-A124 HydrophobicContact CB-CB 3.96Å; F19-L125 PolarHBondContact N-O 2.86Å; F19-L126 HydrophobicContact CD1-CD1 3.92Å |
| 20 | G | 96.1 | Very high | 83.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V25 G77 V78 | G20-V25 VanDerWaalsContact O-CG1 3.27Å; G20-V25 WeakPolarHBondContact O-CG1 3.46Å; G20-G77 VanDerWaalsContact O-CA 3.23Å; G20-G77 WeakPolarHBondContact O-CA 3.5Å; G20-V78 PolarHBondContact N-O 2.77Å; G20-V78 PolarHBondContact O-N 2.84Å |
| 21 | Y | 96.2 | Very high | 85 | Confident | 18 Ų | 18 | 46.9 Ų | 46.9 | 7% | 0.071 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -118.8 | -9.6 | 176.8 | 59.7 | -90.8 | 0 | 0 | 0 | 113.9 | F19 R45 V65 L67 L126 Y127 | F19-Y21 HydrophobicContact CD1-CD1 4.33Å; F19-Y21 HydrophobicContact CE1-CD1 4.48Å; Y21-R45 WeakPolarHBondContact O-CD 3.4Å; Y21-R45 PolarHBondContact O-NH1 3.39Å; Y21-V65 HydrophobicContact CD2-CG2 3.85Å; Y21-V65 HydrophobicContact CE2-CG2 4.07Å; Y21-L67 HydrophobicContact CD1-CD1 3.73Å; Y21-L67 HydrophobicContact CD1-CD2 4.31Å; Y21-L67 HydrophobicContact CD1-CG 3.98Å; Y21-L67 HydrophobicContact CD2-CD1 4.47Å; Y21-L67 HydrophobicContact CD2-CD2 3.65Å; Y21-L67 HydrophobicContact CD2-CG 3.84Å; Y21-L67 HydrophobicContact CE1-CD1 3.85Å; Y21-L67 HydrophobicContact CE1-CG 3.95Å; Y21-L67 HydrophobicContact CE2-CD2 4.09Å; Y21-L67 HydrophobicContact CE2-CG 3.82Å; Y21-L67 HydrophobicContact CG-CD1 4.05Å; Y21-L67 HydrophobicContact CG-CD2 3.77Å; Y21-L67 HydrophobicContact CG-CG 3.92Å; Y21-L126 HydrophobicContact CD1-CD1 3.6Å; Y21-L126 HydrophobicContact CE1-CD1 3.52Å; Y21-Y127 WeakPolarHBondContact CE1-O 3.35Å; Y21-Y127 VanDerWaalsContact CZ-O 3.31Å; Y21-Y127 PolarHBondContact OH-O 3.45Å |
| 22 | G | 95.2 | Very high | 87.4 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -120.8 | -130.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L24 V25 V65 | G22-L24 PolarHBondContact O-N 2.97Å; G22-V25 VanDerWaalsContact O-CG2 3.31Å; G22-V25 WeakPolarHBondContact O-CG2 3.48Å; G22-V25 PolarHBondContact O-N 3.42Å; G22-V25 VanDerWaalsContact O-N 3.1Å; G22-V65 VanDerWaalsContact CA-CG2 3.45Å |
| 23 | S | 93.5 | Very high | 89.5 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -57.5 | -23.3 | -174.8 | 60.7 | 0 | 0 | 0 | 0 | 116.3 | V25 W26 K27 R97 | S23-V25 PolarHBondContact O-N 2.59Å; S23-W26 VanDerWaalsContact CA-CZ3 3.47Å; S23-W26 PolarHBondContact O-N 2.99Å; S23-K27 CarbonylContact O-C 3.51Å; S23-K27 WeakPolarHBondContact O-CA 3.24Å; S23-K27 PolarHBondContact O-N 2.81Å; S23-R97 PolarHBondContact OG-NH2 2.88Å |
| 24 | L | 93.3 | Very high | 91.1 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -60.5 | -26 | 179.1 | -66.8 | -179 | 0 | 0 | 0 | 112.5 | I18 G22 W26 F30 F80 L94 | I18-L24 HydrophobicContact CG2-CD1 4.47Å; G22-L24 PolarHBondContact O-N 2.97Å; L24-W26 PolarHBondContact O-N 3.35Å; L24-F30 HydrophobicContact CD2-CE1 4.02Å; L24-F80 HydrophobicContact CB-CE2 4.31Å; L24-F80 VanDerWaalsContact O-CZ 3.26Å; L24-F80 WeakPolarHBondContact O-CZ 3.38Å; L24-L94 HydrophobicContact CD2-CD2 4.41Å |
| 25 | V | 96 | Very high | 92.2 | Very high | 19 Ų | 19 | 42.8 Ų | 42.8 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -65.1 | -22 | -179.6 | -51.9 | 0 | 0 | 0 | 0 | 113.3 | G20 G22 S23 V78 L166 F169 | G20-V25 VanDerWaalsContact O-CG1 3.27Å; G20-V25 WeakPolarHBondContact O-CG1 3.46Å; G22-V25 VanDerWaalsContact O-CG2 3.31Å; G22-V25 WeakPolarHBondContact O-CG2 3.48Å; G22-V25 PolarHBondContact O-N 3.42Å; G22-V25 VanDerWaalsContact O-N 3.1Å; S23-V25 PolarHBondContact O-N 2.59Å; V25-V78 HydrophobicContact CB-CG2 4.07Å; V25-V78 HydrophobicContact CG1-CG2 4.14Å; V25-L166 HydrophobicContact CG2-CD1 4.07Å; V25-F169 HydrophobicContact CB-CD1 4.04Å; V25-F169 HydrophobicContact CB-CD2 3.87Å; V25-F169 HydrophobicContact CB-CE1 4.19Å; V25-F169 HydrophobicContact CB-CE2 4.02Å; V25-F169 HydrophobicContact CB-CG 3.88Å; V25-F169 HydrophobicContact CB-CZ 4.19Å; V25-F169 HydrophobicContact CG1-CD1 4.21Å; V25-F169 HydrophobicContact CG1-CE1 4.01Å; V25-F169 HydrophobicContact CG1-CE2 4.49Å; V25-F169 HydrophobicContact CG1-CZ 4.17Å; V25-F169 HydrophobicContact CG2-CB 3.81Å; V25-F169 HydrophobicContact CG2-CD1 3.81Å; V25-F169 HydrophobicContact CG2-CD2 4.01Å; V25-F169 HydrophobicContact CG2-CE1 4.44Å; V25-F169 HydrophobicContact CG2-CG 3.57Å |
| 26 | W | 94.2 | Very high | 92.8 | Very high | 59 Ų | 59 | 44.3 Ų | 44.3 | 22% | 0.223 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -19.1 | 174.6 | 74.5 | 84.5 | 0 | 0 | 0 | 114 | S23 L24 Y162 R165 L166 | S23-W26 VanDerWaalsContact CA-CZ3 3.47Å; S23-W26 PolarHBondContact O-N 2.99Å; L24-W26 PolarHBondContact O-N 3.35Å; W26-Y162 HydrophobicContact CH2-CD1 4.31Å; W26-Y162 AromaticContact CH2-CD2 3.5Å; W26-Y162 HydrophobicContact CH2-CD2 3.5Å; W26-Y162 VanDerWaalsContact CH2-CD2 3.5Å; W26-Y162 HydrophobicContact CH2-CE1 4.47Å; W26-Y162 AromaticContact CH2-CE2 3.72Å; W26-Y162 HydrophobicContact CH2-CE2 3.72Å; W26-Y162 AromaticContact CH2-CG 3.82Å; W26-Y162 HydrophobicContact CH2-CG 3.82Å; W26-Y162 AromaticContact CZ2-CD2 3.81Å; W26-Y162 HydrophobicContact CZ2-CD2 3.81Å; W26-Y162 HydrophobicContact CZ2-CE2 4.28Å; W26-Y162 HydrophobicContact CZ2-CG 4.31Å; W26-R165 VanDerWaalsContact CD1-CD 3.49Å; W26-R165 HydrophobicContact CD2-CB 3.73Å; W26-R165 HydrophobicContact CD2-CG 4.49Å; W26-R165 HydrophobicContact CE3-CB 3.81Å; W26-R165 HydrophobicContact CG-CB 4.2Å; W26-R165 HydrophobicContact CH2-CB 4.22Å; W26-R165 HydrophobicContact CZ2-CB 4.16Å; W26-R165 HydrophobicContact CZ3-CB 4.06Å; W26-R165 VanDerWaalsContact NE1-CD 3.26Å; W26-L166 HydrophobicContact CZ3-CB 4.01Å |
| 27 | K | 91.8 | Very high | 93.2 | Very high | 79 Ų | 79 | 45.6 Ų | 45.6 | 34% | 0.343 | 22% | 0.223 | S | C | . | . | trans | -138.8 | 73.8 | -175.2 | -172.5 | 169.2 | 176.1 | 171.9 | 0 | 110.2 | S23 D29 | S23-K27 CarbonylContact O-C 3.51Å; S23-K27 WeakPolarHBondContact O-CA 3.24Å; S23-K27 PolarHBondContact O-N 2.81Å; K27-D29 WeakPolarHBondContact CE-OD2 3.41Å; K27-D29 VanDerWaalsContact CG-OD1 3.25Å; K27-D29 WeakPolarHBondContact CG-OD1 3.4Å; K27-D29 WeakPolarHBondContact CG-OD2 3.43Å; K27-D29 IonicContact NZ-OD2 2.76Å | ||
| 28 | P | 88.3 | Confident | 93.3 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | trans | -68.1 | -37.3 | 177.6 | 25.2 | -32.2 | 0 | 0 | 0 | 112.1 | F30 Y32 F80 | P28-F30 HydrophobicContact CB-CD1 4.3Å; P28-F30 HydrophobicContact CB-CE1 3.95Å; P28-F30 HydrophobicContact CB-CZ 4.07Å; P28-F30 WeakPolarHBondContact O-CD1 3.16Å; P28-F30 WeakPolarHBondContact O-CE1 3.38Å; P28-F30 PolarHBondContact O-N 2.8Å; P28-F30 VanDerWaalsContact O-N 3.14Å; P28-Y32 HydrophobicContact CB-CE1 4.43Å; P28-Y32 HydrophobicContact CG-CE1 3.88Å; P28-F80 HydrophobicContact CB-CD1 4.48Å; P28-F80 HydrophobicContact CB-CE1 4.09Å; P28-F80 HydrophobicContact CB-CE2 4.49Å; P28-F80 HydrophobicContact CB-CZ 4.09Å; P28-F80 HydrophobicContact CG-CE1 4.15Å; P28-F80 HydrophobicContact CG-CZ 4.37Å | ||
| 29 | D | 87.3 | Confident | 93.5 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | trans | 56.2 | 21.4 | 179.6 | -70.4 | -12.3 | 0 | 0 | 0 | 115.2 | K27 Y93 | K27-D29 WeakPolarHBondContact CE-OD2 3.41Å; K27-D29 VanDerWaalsContact CG-OD1 3.25Å; K27-D29 WeakPolarHBondContact CG-OD1 3.4Å; K27-D29 WeakPolarHBondContact CG-OD2 3.43Å; K27-D29 IonicContact NZ-OD2 2.76Å; D29-Y93 HydrophobicContact CB-CE1 4.2Å; D29-Y93 VanDerWaalsContact CB-OH 3.32Å; D29-Y93 WeakPolarHBondContact CB-OH 3.21Å | ||
| 30 | F | 86.1 | Confident | 93.5 | Very high | 23 Ų | 23 | 46.3 Ų | 46.3 | 10% | 0.101 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -135.9 | 161.2 | 169.6 | 57.7 | -99.2 | 0 | 0 | 0 | 111 | I18 L24 P28 Y32 F80 V82 Y93 L94 | I18-F30 HydrophobicContact CB-CZ 4.48Å; I18-F30 HydrophobicContact CD1-CE2 4.29Å; I18-F30 HydrophobicContact CD1-CZ 4.25Å; I18-F30 HydrophobicContact CG2-CZ 4.41Å; L24-F30 HydrophobicContact CD2-CE1 4.02Å; P28-F30 HydrophobicContact CB-CD1 4.3Å; P28-F30 HydrophobicContact CB-CE1 3.95Å; P28-F30 HydrophobicContact CB-CZ 4.07Å; P28-F30 WeakPolarHBondContact O-CD1 3.16Å; P28-F30 WeakPolarHBondContact O-CE1 3.38Å; P28-F30 PolarHBondContact O-N 2.8Å; P28-F30 VanDerWaalsContact O-N 3.14Å; F30-Y32 HydrophobicContact CD2-CD1 4.48Å; F30-Y32 HydrophobicContact CE2-CD1 4.35Å; F30-F80 HydrophobicContact CE2-CB 3.79Å; F30-F80 HydrophobicContact CE2-CG 4.19Å; F30-F80 HydrophobicContact CZ-CB 3.95Å; F30-F80 HydrophobicContact CZ-CD2 4.1Å; F30-F80 HydrophobicContact CZ-CG 4.02Å; F30-V82 HydrophobicContact CD2-CG1 3.9Å; F30-V82 HydrophobicContact CE2-CG1 3.83Å; F30-Y93 HydrophobicContact CD1-CD1 4.4Å; F30-L94 HydrophobicContact CE1-CD1 4.5Å; F30-L94 HydrophobicContact CE1-CD2 4.48Å |
| 31 | K | 88.5 | Confident | 93.5 | Very high | 150 Ų | 150 | 51 Ų | 51 | 65% | 0.652 | 25% | 0.247 | S | C | * | . | trans | -79.5 | 130.5 | 176.5 | -67.4 | -179.9 | -179.1 | 174.1 | 0 | 109.8 | Q86 | K31-Q86 HydrophobicContact CB-CG 4.48Š| ||
| 32 | Y | 92.5 | Very high | 93.4 | Very high | 93 Ų | 93 | 50.9 Ų | 50.9 | 37% | 0.365 | 25% | 0.251 | S | S | . | . | trans | -133.6 | 155.5 | 175.3 | 60.1 | -90.9 | 0 | 0 | 0 | 109.9 | P28 F30 S34 F80 E81 | P28-Y32 HydrophobicContact CB-CE1 4.43Å; P28-Y32 HydrophobicContact CG-CE1 3.88Å; F30-Y32 HydrophobicContact CD2-CD1 4.48Å; F30-Y32 HydrophobicContact CE2-CD1 4.35Å; Y32-S34 WeakPolarHBondContact CD2-O 3.43Å; Y32-F80 AromaticContact CD1-CD1 3.73Å; Y32-F80 HydrophobicContact CD1-CD1 3.73Å; Y32-F80 HydrophobicContact CD1-CE1 4.35Å; Y32-F80 AromaticContact CD2-CD1 3.96Å; Y32-F80 HydrophobicContact CD2-CD1 3.96Å; Y32-F80 AromaticContact CE1-CD1 3.78Å; Y32-F80 HydrophobicContact CE1-CD1 3.78Å; Y32-F80 AromaticContact CE1-CE1 3.97Å; Y32-F80 HydrophobicContact CE1-CE1 3.97Å; Y32-F80 AromaticContact CE2-CD1 3.99Å; Y32-F80 HydrophobicContact CE2-CD1 3.99Å; Y32-F80 HydrophobicContact CE2-CE1 4.42Å; Y32-F80 HydrophobicContact CG-CB 4.29Å; Y32-F80 AromaticContact CG-CD1 3.82Å; Y32-F80 HydrophobicContact CG-CD1 3.82Å; Y32-F80 AromaticContact CZ-CD1 3.91Å; Y32-F80 AromaticContact CZ-CE1 3.99Å; Y32-E81 CarbonylContact C-O 3.54Å; Y32-E81 WeakPolarHBondContact CA-O 3.38Å; Y32-E81 WeakPolarHBondContact CB-O 3.5Å | ||
| 33 | K | 93.1 | Very high | 93.5 | Very high | 129 Ų | 129 | 51.6 Ų | 51.6 | 56% | 0.561 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -82.4 | -42.7 | 179.4 | 174.8 | -179.3 | 158.6 | -132.9 | 0 | 111.6 | E81 T83 | K33-E81 WeakPolarHBondContact CD-OE2 3.44Å; K33-E81 WeakPolarHBondContact CE-OE2 3.27Å; K33-E81 PolarHBondContact N-O 2.83Å; K33-E81 IonicContact NZ-OE1 2.61Å; K33-E81 PolarHBondContact NZ-OE1 2.72Å; K33-E81 IonicContact NZ-OE2 3.36Å; K33-E81 PolarHBondContact NZ-OE2 3.5Å; K33-T83 HydrophobicContact CB-CG2 4.34Å; K33-T83 HydrophobicContact CD-CG2 3.69Å |
| 34 | S | 92.8 | Very high | 93.6 | Very high | 35 Ų | 35 | 53 Ų | 53 | 25% | 0.245 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 161.1 | -180 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | W17 Y32 E81 | W17-S34 WeakPolarHBondContact CH2-OG 3.13Å; Y32-S34 WeakPolarHBondContact CD2-O 3.43Å; S34-E81 PolarHBondContact O-N 2.93Å; S34-E81 VanDerWaalsContact OG-CB 3.25Å; S34-E81 WeakPolarHBondContact OG-CB 3.3Å; S34-E81 PolarHBondContact OG-OE2 2.66Å |
| 35 | S | 94.9 | Very high | 93.8 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.9 | 175.5 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | A79 | S35-A79 CarbonylContact C-O 3.53Å; S35-A79 WeakPolarHBondContact CA-O 3.23Å |
| 36 | Q | 95.7 | Very high | 93.9 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 32% | 0.318 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.2 | -178.8 | -65.7 | -179 | 0.2 | 0 | 0 | 110.3 | W17 V78 A79 F111 P113 Q122 | W17-Q36 HydrophobicContact CH2-CG 4.07Å; W17-Q36 HydrophobicContact CZ3-CB 4.45Å; W17-Q36 HydrophobicContact CZ3-CG 4.24Å; Q36-V78 CarbonylContact O-C 3.53Å; Q36-V78 WeakPolarHBondContact O-CA 3.22Å; Q36-A79 PolarHBondContact N-O 2.86Å; Q36-A79 PolarHBondContact O-N 3.47Å; Q36-F111 HydrophobicContact CB-CE1 4.1Å; Q36-F111 HydrophobicContact CB-CZ 4.15Å; Q36-F111 WeakPolarHBondContact O-CZ 3.33Å; Q36-P113 VanDerWaalsContact OE1-CG 3.23Å; Q36-Q122 VanDerWaalsContact OE1-NE2 3.1Å |
| 37 | V | 96.9 | Very high | 94.1 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 143.4 | 168.1 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | W76 G77 V78 E114 F169 | V37-W76 HydrophobicContact CG1-CE3 4.2Å; V37-W76 HydrophobicContact CG1-CZ3 4.34Å; V37-G77 WeakPolarHBondContact CA-O 3.49Å; V37-V78 HydrophobicContact CG2-CG2 4.36Å; V37-E114 WeakPolarHBondContact CG1-OE2 3.1Å; V37-E114 PolarHBondContact O-N 3.01Å; V37-F169 HydrophobicContact CG2-CE2 4.45Å |
| 38 | G | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.7 | -158.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | W76 G77 F111 I112 | G38-W76 WeakPolarHBondContact O-CA 3.2Å; G38-G77 PolarHBondContact N-O 2.97Å; G38-G77 VanDerWaalsContact N-O 3.16Å; G38-G77 PolarHBondContact O-N 2.87Å; G38-F111 VanDerWaalsContact C-CE2 3.46Å; G38-F111 VanDerWaalsContact CA-CE2 3.44Å; G38-I112 CarbonylContact C-O 3.58Å; G38-I112 WeakPolarHBondContact CA-O 3.39Å |
| 39 | Y | 97.1 | Very high | 94.7 | Very high | 48 Ų | 48 | 48.7 Ų | 48.7 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 166.9 | -172.3 | 60.8 | -90.2 | 0 | 0 | 0 | 114.2 | H41 T74 T75 W76 F111 I112 | Y39-H41 AromaticContact CD2-CE1 3.92Å; Y39-H41 AromaticContact CE2-CE1 3.42Å; Y39-H41 VanDerWaalsContact CE2-CE1 3.42Å; Y39-H41 WeakPolarHBondContact CE2-CE1 3.37Å; Y39-H41 AromaticContact CE2-NE2 3.47Å; Y39-H41 WeakPolarHBondContact CE2-NE2 3.4Å; Y39-T74 HydrophobicContact CD2-CG2 3.39Å; Y39-T74 HydrophobicContact CE2-CG2 4.23Å; Y39-T74 HydrophobicContact CG-CG2 3.58Å; Y39-T75 VanDerWaalsContact CA-O 3.25Å; Y39-T75 WeakPolarHBondContact CA-O 3.11Å; Y39-T75 WeakPolarHBondContact CB-O 3.05Å; Y39-W76 HydrophobicContact CD1-CD2 4.16Å; Y39-W76 AromaticContact CD1-CE2 3.63Å; Y39-W76 HydrophobicContact CD1-CE3 4.4Å; Y39-W76 AromaticContact CD1-CH2 3.69Å; Y39-W76 HydrophobicContact CD1-CH2 3.69Å; Y39-W76 AromaticContact CD1-CZ2 3.37Å; Y39-W76 HydrophobicContact CD1-CZ2 3.37Å; Y39-W76 HydrophobicContact CD1-CZ3 4.2Å; Y39-W76 HydrophobicContact CE1-CH2 4.13Å; Y39-W76 AromaticContact CE1-CZ2 3.87Å; Y39-W76 HydrophobicContact CE1-CZ2 3.87Å; Y39-W76 HydrophobicContact CG-CD2 4.44Å; Y39-W76 HydrophobicContact CG-CZ2 4.22Å; Y39-F111 WeakPolarHBondContact O-CA 3.2Å; Y39-I112 HydrophobicContact CD2-CB 4.29Å; Y39-I112 HydrophobicContact CD2-CD1 4.18Å; Y39-I112 HydrophobicContact CE1-CB 4.11Å; Y39-I112 HydrophobicContact CE1-CG2 3.9Å; Y39-I112 HydrophobicContact CE2-CB 3.85Å; Y39-I112 HydrophobicContact CE2-CD1 3.43Å; Y39-I112 VanDerWaalsContact CE2-CD1 3.43Å; Y39-I112 HydrophobicContact CE2-CG1 4.23Å; Y39-I112 HydrophobicContact CE2-CG2 4.2Å; Y39-I112 PolarHBondContact N-O 3.5Å; Y39-I112 PolarHBondContact O-N 3.16Å; Y39-I112 WeakPolarHBondContact OH-CG2 3.48Å |
| 40 | I | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 150.7 | 170 | 64.1 | 171.4 | 0 | 0 | 0 | 109.2 | F19 Y43 L67 T74 T75 V109 F111 L126 | F19-I40 HydrophobicContact CD1-CD1 3.88Å; F19-I40 HydrophobicContact CD1-CG1 4.36Å; F19-I40 HydrophobicContact CD1-CG2 4.04Å; F19-I40 HydrophobicContact CD2-CG2 4.02Å; F19-I40 HydrophobicContact CE1-CB 4.47Å; F19-I40 HydrophobicContact CE1-CD1 3.6Å; F19-I40 HydrophobicContact CE1-CG1 3.73Å; F19-I40 HydrophobicContact CE1-CG2 3.95Å; F19-I40 HydrophobicContact CE2-CG2 3.97Å; F19-I40 HydrophobicContact CG-CG2 4.04Å; F19-I40 HydrophobicContact CZ-CD1 4.39Å; F19-I40 HydrophobicContact CZ-CG1 4.03Å; F19-I40 HydrophobicContact CZ-CG2 3.92Å; I40-Y43 HydrophobicContact CD1-CD2 3.8Å; I40-Y43 HydrophobicContact CD1-CG 4.33Å; I40-Y43 HydrophobicContact CG1-CD2 4.44Å; I40-L67 HydrophobicContact CD1-CD1 3.88Å; I40-T74 WeakPolarHBondContact O-CA 3.26Å; I40-T75 PolarHBondContact N-O 3.16Å; I40-T75 PolarHBondContact O-N 2.78Å; I40-V109 HydrophobicContact CB-CG2 4.42Å; I40-V109 HydrophobicContact CD1-CG2 4.45Å; I40-V109 HydrophobicContact CG2-CG2 3.76Å; I40-F111 HydrophobicContact CG2-CB 4.4Å; I40-F111 HydrophobicContact CG2-CD2 4.49Å; I40-L126 HydrophobicContact CD1-CD1 4.33Å; I40-L126 HydrophobicContact CD1-CD2 3.76Å |
| 41 | H | 95.9 | Very high | 95.3 | Very high | 100 Ų | 100 | 44.6 Ų | 44.6 | 46% | 0.463 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 163.2 | 173.3 | -65.8 | -57.9 | 0 | 0 | 0 | 112.3 | Y39 Y43 A73 T74 I112 | Y39-H41 AromaticContact CD2-CE1 3.92Å; Y39-H41 AromaticContact CE2-CE1 3.42Å; Y39-H41 VanDerWaalsContact CE2-CE1 3.42Å; Y39-H41 WeakPolarHBondContact CE2-CE1 3.37Å; Y39-H41 AromaticContact CE2-NE2 3.47Å; Y39-H41 WeakPolarHBondContact CE2-NE2 3.4Å; H41-Y43 VanDerWaalsContact O-CD2 3.24Å; H41-Y43 WeakPolarHBondContact O-CD2 3.22Å; H41-A73 CarbonylContact C-O 3.52Å; H41-A73 WeakPolarHBondContact CA-O 2.89Å; H41-T74 PolarHBondContact ND1-OG1 3.46Å; H41-I112 WeakPolarHBondContact NE2-CD1 3.44Å |
| 42 | G | 95.7 | Very high | 95.5 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.3 | 8.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E69 D70 A73 | G42-E69 WeakPolarHBondContact O-CA 3.49Å; G42-D70 CarbonylContact C-O 3.01Å; G42-D70 WeakPolarHBondContact CA-O 3.49Å; G42-D70 PolarHBondContact O-N 3.2Å; G42-A73 PolarHBondContact N-O 2.87Å |
| 43 | Y | 96.4 | Very high | 95.4 | Very high | 23 Ų | 23 | 39.5 Ų | 39.5 | 9% | 0.09 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 138.1 | -176.2 | -62.5 | -81.4 | 0 | 0 | 0 | 112.5 | I40 H41 L67 I68 E69 D70 A73 T75 K107 V109 L126 I128 | I40-Y43 HydrophobicContact CD1-CD2 3.8Å; I40-Y43 HydrophobicContact CD1-CG 4.33Å; I40-Y43 HydrophobicContact CG1-CD2 4.44Å; H41-Y43 VanDerWaalsContact O-CD2 3.24Å; H41-Y43 WeakPolarHBondContact O-CD2 3.22Å; Y43-L67 HydrophobicContact CD1-CB 3.91Å; Y43-L67 HydrophobicContact CD1-CD1 4.38Å; Y43-L67 HydrophobicContact CG-CB 4.29Å; Y43-L67 HydrophobicContact CG-CD1 4.14Å; Y43-I68 CarbonylContact C-O 3.58Å; Y43-I68 WeakPolarHBondContact CA-O 3.47Å; Y43-E69 HydrophobicContact CD1-CG 4.17Å; Y43-E69 HydrophobicContact CE1-CG 3.66Å; Y43-D70 PolarHBondContact N-O 2.98Å; Y43-A73 WeakPolarHBondContact O-CB 3.37Å; Y43-T75 PolarHBondContact O-OG1 2.87Å; Y43-K107 WeakPolarHBondContact OH-CD 3.45Å; Y43-K107 PolarHBondContact OH-NZ 3.46Å; Y43-V109 HydrophobicContact CE2-CG1 3.99Å; Y43-L126 HydrophobicContact CD2-CD2 4.39Å; Y43-L126 HydrophobicContact CE2-CD2 4.19Å; Y43-I128 HydrophobicContact CD1-CD1 4.08Å; Y43-I128 HydrophobicContact CE1-CD1 3.55Å |
| 44 | K | 96.1 | Very high | 95.3 | Very high | 50 Ų | 50 | 35.9 Ų | 35.9 | 22% | 0.217 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.4 | 168 | 64.1 | -177.4 | 155.4 | -147.3 | 0 | 111.3 | R46 L67 I68 D70 A73 | K44-R46 HydrophobicContact CG-CG 4.27Å; K44-L67 WeakPolarHBondContact O-CA 3.33Å; K44-I68 HydrophobicContact CD-CB 4.37Å; K44-I68 HydrophobicContact CG-CB 3.79Å; K44-I68 WeakPolarHBondContact CG-O 3.46Å; K44-I68 PolarHBondContact N-O 3.08Å; K44-I68 PolarHBondContact O-N 2.94Å; K44-D70 HydrophobicContact CB-CB 4.31Å; K44-D70 HydrophobicContact CD-CB 4.02Å; K44-D70 WeakPolarHBondContact CD-OD2 3.3Å; K44-D70 WeakPolarHBondContact CE-OD2 3.38Å; K44-D70 HydrophobicContact CG-CB 4.04Å; K44-D70 IonicContact NZ-OD2 2.59Å; K44-D70 PolarHBondContact NZ-OD2 3.15Å; K44-A73 HydrophobicContact CB-CB 3.92Å |
| 45 | R | 97.6 | Very high | 95.4 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 4% | 0.038 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129 | 174.9 | -177.9 | 169.3 | 55.7 | -139.6 | -9.2 | 112 | Y21 V65 L67 T75 W76 M170 D179 | Y21-R45 WeakPolarHBondContact O-CD 3.4Å; Y21-R45 PolarHBondContact O-NH1 3.39Å; R45-V65 HydrophobicContact CG-CB 3.72Å; R45-V65 HydrophobicContact CG-CG1 3.73Å; R45-V65 HydrophobicContact CG-CG2 4.13Å; R45-L67 HydrophobicContact CB-CD2 4.08Å; R45-T75 HydrophobicContact CB-CG2 4.1Å; R45-T75 PolarHBondContact N-OG1 2.86Å; R45-W76 PolarHBondContact NH1-O 2.91Å; R45-M170 PolarHBondContact NH2-SD 3.28Å; R45-D179 IonicContact CZ-OD2 3.41Å; R45-D179 IonicContact NE-OD2 3.15Å; R45-D179 PolarHBondContact NE-OD2 3.32Å; R45-D179 IonicContact NH2-OD2 3.41Å; R45-D179 PolarHBondContact NH2-OD2 2.77Å |
| 46 | R | 98 | Very high | 95.4 | Very high | 57 Ų | 57 | 32.1 Ų | 32.1 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 139.5 | -178.8 | -65.2 | -64.5 | 179.5 | -94.4 | 4.9 | 113 | K44 W48 V65 T66 I68 H181 | K44-R46 HydrophobicContact CG-CG 4.27Å; R46-W48 HydrophobicContact CB-CB 4.28Å; R46-W48 HydrophobicContact CB-CD2 3.51Å; R46-W48 HydrophobicContact CB-CE3 3.98Å; R46-W48 HydrophobicContact CB-CG 3.65Å; R46-W48 HydrophobicContact CB-CZ2 4.32Å; R46-W48 HydrophobicContact CG-CD2 3.9Å; R46-W48 HydrophobicContact CG-CE3 4.09Å; R46-W48 HydrophobicContact CG-CH2 4.04Å; R46-W48 HydrophobicContact CG-CZ2 3.85Å; R46-W48 HydrophobicContact CG-CZ3 4.16Å; R46-W48 PolarHBondContact O-N 2.89Å; R46-V65 CarbonylContact O-C 3.51Å; R46-V65 VanDerWaalsContact O-CA 3.26Å; R46-V65 WeakPolarHBondContact O-CA 3.33Å; R46-T66 PolarHBondContact N-O 2.82Å; R46-T66 PolarHBondContact O-N 3.3Å; R46-I68 HydrophobicContact CB-CG1 4.22Å; R46-I68 HydrophobicContact CG-CG1 4.03Å; R46-H181 WeakPolarHBondContact CD-ND1 3.25Å |
| 47 | F | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 47.9 | 173.9 | -78.5 | -95.3 | 0 | 0 | 0 | 112.7 | R63 V64 V65 I145 I149 Y162 L163 L166 H181 L182 I185 | F47-R63 WeakPolarHBondContact O-CD 3.49Å; F47-R63 PolarHBondContact O-NH1 3.36Å; F47-V64 CarbonylContact C-O 3.5Å; F47-V64 WeakPolarHBondContact CA-O 3.2Å; F47-V65 HydrophobicContact CD1-CG1 4Å; F47-V65 HydrophobicContact CD2-CG1 3.6Å; F47-V65 HydrophobicContact CE1-CG1 3.89Å; F47-V65 HydrophobicContact CE2-CG1 3.46Å; F47-V65 VanDerWaalsContact CE2-CG1 3.46Å; F47-V65 HydrophobicContact CG-CG1 3.87Å; F47-V65 HydrophobicContact CZ-CG1 3.62Å; F47-I145 HydrophobicContact CB-CG2 3.84Å; F47-I149 HydrophobicContact CD1-CD1 3.58Å; F47-I149 HydrophobicContact CE1-CD1 3.87Å; F47-I149 HydrophobicContact CG-CD1 4.26Å; F47-Y162 AromaticContact CE1-CD1 3.88Å; F47-Y162 HydrophobicContact CE1-CD1 3.88Å; F47-Y162 AromaticContact CE1-CE1 3.79Å; F47-Y162 HydrophobicContact CE1-CE1 3.79Å; F47-Y162 HydrophobicContact CZ-CD1 4.48Å; F47-Y162 HydrophobicContact CZ-CE1 4.29Å; F47-L163 HydrophobicContact CE1-CB 4.5Å; F47-L163 HydrophobicContact CE1-CD1 4.04Å; F47-L163 HydrophobicContact CE2-CD1 3.96Å; F47-L163 HydrophobicContact CZ-CD1 3.45Å; F47-L163 VanDerWaalsContact CZ-CD1 3.45Å; F47-L166 HydrophobicContact CE2-CD2 4.26Å; F47-L166 HydrophobicContact CZ-CD2 3.95Å; F47-H181 AromaticContact CD2-CD2 3.9Å; F47-H181 AromaticContact CD2-NE2 3.75Å; F47-H181 PolarHBondContact N-NE2 3.34Å; F47-H181 VanDerWaalsContact N-NE2 3.19Å; F47-L182 HydrophobicContact CE2-CD1 3.55Å; F47-L182 HydrophobicContact CZ-CD1 3.79Å; F47-I185 HydrophobicContact CB-CD1 3.94Å; F47-I185 HydrophobicContact CD2-CD1 3.73Å; F47-I185 HydrophobicContact CG-CD1 4.06Å |
| 48 | W | 97.1 | Very high | 95 | Very high | 38 Ų | 38 | 36.4 Ų | 36.4 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 1.3 | -172.3 | -62.7 | -8.4 | 0 | 0 | 0 | 113.2 | R46 I68 F136 L137 G138 P139 H181 | R46-W48 HydrophobicContact CB-CB 4.28Å; R46-W48 HydrophobicContact CB-CD2 3.51Å; R46-W48 HydrophobicContact CB-CE3 3.98Å; R46-W48 HydrophobicContact CB-CG 3.65Å; R46-W48 HydrophobicContact CB-CZ2 4.32Å; R46-W48 HydrophobicContact CG-CD2 3.9Å; R46-W48 HydrophobicContact CG-CE3 4.09Å; R46-W48 HydrophobicContact CG-CH2 4.04Å; R46-W48 HydrophobicContact CG-CZ2 3.85Å; R46-W48 HydrophobicContact CG-CZ3 4.16Å; R46-W48 PolarHBondContact O-N 2.89Å; W48-I68 HydrophobicContact CE3-CD1 3.78Å; W48-I68 HydrophobicContact CE3-CG1 3.65Å; W48-I68 HydrophobicContact CZ3-CD1 4.16Å; W48-I68 HydrophobicContact CZ3-CG1 3.72Å; W48-I68 HydrophobicContact CZ3-CG2 4.45Å; W48-F136 HydrophobicContact CB-CD2 4.5Å; W48-F136 HydrophobicContact CB-CE2 3.8Å; W48-F136 HydrophobicContact CB-CZ 4.25Å; W48-F136 HydrophobicContact CE3-CE2 4.43Å; W48-F136 HydrophobicContact CE3-CZ 4.08Å; W48-L137 PolarHBondContact O-N 3.47Å; W48-G138 VanDerWaalsContact CD1-O 3.3Å; W48-G138 PolarHBondContact O-N 3.4Å; W48-G138 VanDerWaalsContact O-N 3.12Å; W48-P139 HydrophobicContact CD2-CB 4.38Å; W48-P139 HydrophobicContact CD2-CG 4.16Å; W48-P139 HydrophobicContact CE3-CG 4.01Å; W48-P139 HydrophobicContact CH2-CB 4.1Å; W48-P139 HydrophobicContact CH2-CG 3.72Å; W48-P139 HydrophobicContact CZ2-CB 3.74Å; W48-P139 HydrophobicContact CZ2-CG 3.87Å; W48-P139 HydrophobicContact CZ3-CG 3.79Å; W48-H181 AromaticContact NE1-CE1 3.77Å |
| 49 | H | 94.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132 | 177.3 | -163.2 | -92.3 | 0 | 0 | 0 | 110.7 | R63 V64 T66 A129 N133 | H49-R63 CarbonylContact O-C 3.56Å; H49-R63 WeakPolarHBondContact O-CA 3.47Å; H49-V64 HydrophobicContact CB-CG2 4.12Å; H49-V64 PolarHBondContact N-O 3.28Å; H49-V64 PolarHBondContact O-N 3.22Å; H49-T66 HydrophobicContact CB-CG2 4.1Å; H49-A129 WeakPolarHBondContact CD2-CB 3.32Å; H49-A129 WeakPolarHBondContact NE2-CB 3.48Å; H49-N133 PolarHBondContact NE2-ND2 3.16Å |
| 50 | G | 94.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 148.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G62 L135 | G50-G62 VanDerWaalsContact CA-O 3.3Å; G50-G62 WeakPolarHBondContact CA-O 3.16Å; G50-L135 WeakPolarHBondContact CA-O 3.33Å; G50-L135 PolarHBondContact N-O 3.48Å |
| 51 | D | 92.6 | Very high | 94.7 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 109.5 | 170.6 | -177.7 | -72 | 0 | 0 | 0 | 109 | F53 H54 R55 G56 G62 V64 | D51-F53 PolarHBondContact OD1-N 2.73Å; D51-H54 WeakPolarHBondContact OD1-CA 3.5Å; D51-H54 PolarHBondContact OD1-N 2.85Å; D51-H54 IonicContact OD2-CD2 2.96Å; D51-R55 HydrophobicContact CB-CB 4.36Å; D51-R55 PolarHBondContact OD1-N 2.91Å; D51-G56 VanDerWaalsContact O-CA 3.24Å; D51-G56 WeakPolarHBondContact O-CA 3.33Å; D51-G56 PolarHBondContact O-N 3.31Å; D51-G56 VanDerWaalsContact O-N 3.08Å; D51-G62 PolarHBondContact N-O 2.91Å; D51-G62 PolarHBondContact O-N 2.91Å; D51-V64 HydrophobicContact CB-CG1 3.74Å; D51-V64 HydrophobicContact CB-CG2 4.02Å |
| 52 | N | 92.6 | Very high | 94.7 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 25% | 0.246 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -98.1 | 14.9 | -177.8 | 67.3 | -29.4 | 0 | 0 | 0 | 112.8 | G56 N57 D58 | N52-G56 CarbonylContact C-O 3.01Å; N52-N57 WeakPolarHBondContact CB-O 3.44Å; N52-N57 CarbonylContact O-C 3.38Å; N52-N57 WeakPolarHBondContact O-CA 3.48Å; N52-D58 PolarHBondContact ND2-OD1 2.97Å |
| 53 | F | 90.3 | Very high | 94.8 | Very high | 89 Ų | 89 | 41.6 Ų | 41.6 | 39% | 0.39 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -138 | -54.4 | -175.3 | -175.6 | -103.2 | 0 | 0 | 0 | 114 | D51 G56 K155 | D51-F53 PolarHBondContact OD1-N 2.73Å; F53-G56 CarbonylContact C-O 3.54Å; F53-G56 PolarHBondContact N-O 2.87Å; F53-K155 HydrophobicContact CE1-CD 3.81Å; F53-K155 HydrophobicContact CE2-CD 3.91Å; F53-K155 HydrophobicContact CZ-CD 3.38Å; F53-K155 WeakPolarHBondContact O-CB 3.42Å; F53-K155 PolarHBondContact O-N 3.29Å |
| 54 | H | 90.6 | Very high | 94.8 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -82.3 | -43.7 | -175.9 | -70.2 | -67.9 | 0 | 0 | 0 | 112.8 | D51 G154 K155 T156 | D51-H54 WeakPolarHBondContact OD1-CA 3.5Å; D51-H54 PolarHBondContact OD1-N 2.85Å; D51-H54 IonicContact OD2-CD2 2.96Å; H54-G154 CarbonylContact O-C 3.52Å; H54-G154 VanDerWaalsContact O-C 3.27Å; H54-G154 WeakPolarHBondContact O-CA 3.06Å; H54-K155 PolarHBondContact O-N 3.48Å; H54-T156 PolarHBondContact ND1-OG1 2.65Å; H54-T156 WeakPolarHBondContact O-CA 3.25Å; H54-T156 WeakPolarHBondContact O-CB 3.41Å; H54-T156 PolarHBondContact O-N 3.23Å |
| 55 | R | 95 | Very high | 94.8 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -120.5 | -8.9 | -172.2 | -59.2 | -55.9 | -178.1 | 171.8 | -3.1 | 113.2 | D51 V64 R152 Q153 G154 T156 H158 N159 E161 Y162 | D51-R55 HydrophobicContact CB-CB 4.36Å; D51-R55 PolarHBondContact OD1-N 2.91Å; R55-V64 HydrophobicContact CB-CG1 4.38Å; R55-V64 HydrophobicContact CG-CG1 4.1Å; R55-R152 CarbonylContact O-C 3.56Å; R55-Q153 CarbonylContact O-C 3.54Å; R55-Q153 VanDerWaalsContact O-C 3.31Å; R55-Q153 WeakPolarHBondContact O-CA 3.42Å; R55-Q153 PolarHBondContact O-N 3Å; R55-G154 VanDerWaalsContact C-N 3.32Å; R55-G154 PolarHBondContact O-N 2.95Å; R55-T156 PolarHBondContact NH1-O 2.91Å; R55-H158 PolarHBondContact NH1-O 2.87Å; R55-N159 HydrophobicContact CB-CB 4.02Å; R55-E161 IonicContact CZ-OE2 3.42Å; R55-E161 IonicContact NH1-OE2 2.7Å; R55-E161 PolarHBondContact NH1-OE2 2.92Å; R55-E161 IonicContact NH2-OE2 3.29Å; R55-Y162 HydrophobicContact CG-CD2 4.32Å |
| 56 | G | 94.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -141.1 | -159.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D51 N52 F53 L60 Q153 G154 | D51-G56 VanDerWaalsContact O-CA 3.24Å; D51-G56 WeakPolarHBondContact O-CA 3.33Å; D51-G56 PolarHBondContact O-N 3.31Å; D51-G56 VanDerWaalsContact O-N 3.08Å; N52-G56 CarbonylContact C-O 3.01Å; F53-G56 CarbonylContact C-O 3.54Å; F53-G56 PolarHBondContact N-O 2.87Å; G56-L60 WeakPolarHBondContact CA-O 3.36Å; G56-Q153 CarbonylContact C-O 3.27Å; G56-Q153 WeakPolarHBondContact CA-O 3.24Å; G56-G154 WeakPolarHBondContact O-CA 3.46Å |
| 57 | N | 93.4 | Very high | 94.6 | Very high | 63 Ų | 63 | 35.6 Ų | 35.6 | 34% | 0.337 | 18% | 0.182 | S | C | . | . | trans | -136.9 | 179.4 | 173.1 | 61.2 | 56 | 0 | 0 | 0 | 110.1 | N52 D59 L60 P61 | N52-N57 WeakPolarHBondContact CB-O 3.44Å; N52-N57 CarbonylContact O-C 3.38Å; N52-N57 WeakPolarHBondContact O-CA 3.48Å; N57-D59 VanDerWaalsContact C-N 3.3Å; N57-D59 PolarHBondContact O-N 2.91Å; N57-D59 PolarHBondContact OD1-N 2.9Å; N57-D59 VanDerWaalsContact OD1-N 3.08Å; N57-L60 PolarHBondContact N-O 2.83Å; N57-L60 VanDerWaalsContact N-O 3.07Å; N57-L60 CarbonylContact O-C 3.54Å; N57-L60 VanDerWaalsContact O-C 3.23Å; N57-L60 PolarHBondContact O-N 2.76Å; N57-L60 PolarHBondContact OD1-N 2.88Å; N57-P61 WeakPolarHBondContact O-CA 3.32Å | ||
| 58 | D | 92 | Very high | 94.4 | Very high | 132 Ų | 132 | 36.9 Ų | 36.9 | 71% | 0.706 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -61.2 | -34.5 | -177.1 | -69 | -37.6 | 0 | 0 | 0 | 113.7 | N52 | N52-D58 PolarHBondContact ND2-OD1 2.97Š|
| 59 | D | 93.8 | Very high | 94.3 | Very high | 145 Ų | 145 | 41.1 Ų | 41.1 | 78% | 0.775 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -81.5 | -38.9 | 179.3 | -59.9 | -45.8 | 0 | 0 | 0 | 111.9 | N57 | N57-D59 VanDerWaalsContact C-N 3.3Å; N57-D59 PolarHBondContact O-N 2.91Å; N57-D59 PolarHBondContact OD1-N 2.9Å; N57-D59 VanDerWaalsContact OD1-N 3.08Å |
| 60 | L | 94.3 | Very high | 94.3 | Very high | 80 Ų | 80 | 43.3 Ų | 43.3 | 42% | 0.419 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -129.5 | 79.9 | -172.1 | -60.8 | 178.8 | 0 | 0 | 0 | 108.8 | G56 N57 R152 | G56-L60 WeakPolarHBondContact CA-O 3.36Å; N57-L60 PolarHBondContact N-O 2.83Å; N57-L60 VanDerWaalsContact N-O 3.07Å; N57-L60 CarbonylContact O-C 3.54Å; N57-L60 VanDerWaalsContact O-C 3.23Å; N57-L60 PolarHBondContact O-N 2.76Å; N57-L60 PolarHBondContact OD1-N 2.88Å; L60-R152 WeakPolarHBondContact O-CD 3.35Å |
| 61 | P | 95.1 | Very high | 94.2 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 21% | 0.214 | 26% | 0.259 | C | S | . | . | trans | -66.7 | 145.1 | 179.1 | 26.4 | -34.2 | 0 | 0 | 0 | 110.7 | N57 Q148 R152 | N57-P61 WeakPolarHBondContact O-CA 3.32Å; P61-Q148 PolarHBondContact O-NE2 3.24Å; P61-R152 WeakPolarHBondContact O-CD 3.3Å; P61-R152 PolarHBondContact O-NE 2.85Å | ||
| 62 | G | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -179 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G50 D51 N159 | G50-G62 VanDerWaalsContact CA-O 3.3Å; G50-G62 WeakPolarHBondContact CA-O 3.16Å; D51-G62 PolarHBondContact N-O 2.91Å; D51-G62 PolarHBondContact O-N 2.91Å; G62-N159 WeakPolarHBondContact CA-OD1 3.26Å |
| 63 | R | 97.4 | Very high | 94.4 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 5% | 0.053 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.4 | 168.7 | -80.4 | 179.8 | 177.1 | -93.7 | 1.4 | 110.8 | F47 H49 L137 G138 I149 N159 | F47-R63 WeakPolarHBondContact O-CD 3.49Å; F47-R63 PolarHBondContact O-NH1 3.36Å; H49-R63 CarbonylContact O-C 3.56Å; H49-R63 WeakPolarHBondContact O-CA 3.47Å; R63-L137 HydrophobicContact CG-CD1 3.78Å; R63-G138 PolarHBondContact NH1-O 2.94Å; R63-I149 HydrophobicContact CB-CD1 4.3Å; R63-I149 HydrophobicContact CB-CG1 4.03Å; R63-N159 PolarHBondContact N-OD1 2.96Å; R63-N159 PolarHBondContact O-ND2 2.87Å; R63-N159 PolarHBondContact O-OD1 3.23Å |
| 64 | V | 96 | Very high | 94.7 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 167 | 174.1 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | F47 H49 D51 R55 Y162 | F47-V64 CarbonylContact C-O 3.5Å; F47-V64 WeakPolarHBondContact CA-O 3.2Å; H49-V64 HydrophobicContact CB-CG2 4.12Å; H49-V64 PolarHBondContact N-O 3.28Å; H49-V64 PolarHBondContact O-N 3.22Å; D51-V64 HydrophobicContact CB-CG1 3.74Å; D51-V64 HydrophobicContact CB-CG2 4.02Å; R55-V64 HydrophobicContact CB-CG1 4.38Å; R55-V64 HydrophobicContact CG-CG1 4.1Å; V64-Y162 HydrophobicContact CB-CE1 4.16Å; V64-Y162 HydrophobicContact CB-CE2 4.17Å; V64-Y162 HydrophobicContact CG1-CD2 4.15Å; V64-Y162 HydrophobicContact CG1-CE1 4.29Å; V64-Y162 HydrophobicContact CG1-CE2 3.87Å; V64-Y162 HydrophobicContact CG1-CG 4.46Å |
| 65 | V | 96.8 | Very high | 95 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 142.6 | -179.6 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | Y21 G22 R45 R46 F47 Y162 L166 | Y21-V65 HydrophobicContact CD2-CG2 3.85Å; Y21-V65 HydrophobicContact CE2-CG2 4.07Å; G22-V65 VanDerWaalsContact CA-CG2 3.45Å; R45-V65 HydrophobicContact CG-CB 3.72Å; R45-V65 HydrophobicContact CG-CG1 3.73Å; R45-V65 HydrophobicContact CG-CG2 4.13Å; R46-V65 CarbonylContact O-C 3.51Å; R46-V65 VanDerWaalsContact O-CA 3.26Å; R46-V65 WeakPolarHBondContact O-CA 3.33Å; F47-V65 HydrophobicContact CD1-CG1 4Å; F47-V65 HydrophobicContact CD2-CG1 3.6Å; F47-V65 HydrophobicContact CE1-CG1 3.89Å; F47-V65 HydrophobicContact CE2-CG1 3.46Å; F47-V65 VanDerWaalsContact CE2-CG1 3.46Å; F47-V65 HydrophobicContact CG-CG1 3.87Å; F47-V65 HydrophobicContact CZ-CG1 3.62Å; V65-Y162 HydrophobicContact CG1-CE1 4.44Å; V65-Y162 HydrophobicContact CG2-CE1 4.43Å; V65-Y162 WeakPolarHBondContact CG2-OH 3.43Å; V65-Y162 PolarHBondContact N-OH 3.43Å; V65-L166 HydrophobicContact CG1-CD2 3.71Å; V65-L166 HydrophobicContact CG2-CD2 4.22Å |
| 66 | T | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 174.6 | 159.9 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | R46 H49 I68 A129 F136 | R46-T66 PolarHBondContact N-O 2.82Å; R46-T66 PolarHBondContact O-N 3.3Å; H49-T66 HydrophobicContact CB-CG2 4.1Å; T66-I68 HydrophobicContact CG2-CD1 4.09Å; T66-A129 PolarHBondContact OG1-N 2.87Å; T66-A129 PolarHBondContact OG1-O 2.84Å; T66-F136 HydrophobicContact CG2-CE2 4.31Å |
| 67 | L | 95.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 136.6 | 173.4 | -60.1 | -176.6 | 0 | 0 | 0 | 110.6 | Y21 I40 Y43 K44 R45 T75 L126 I128 | Y21-L67 HydrophobicContact CD1-CD1 3.73Å; Y21-L67 HydrophobicContact CD1-CD2 4.31Å; Y21-L67 HydrophobicContact CD1-CG 3.98Å; Y21-L67 HydrophobicContact CD2-CD1 4.47Å; Y21-L67 HydrophobicContact CD2-CD2 3.65Å; Y21-L67 HydrophobicContact CD2-CG 3.84Å; Y21-L67 HydrophobicContact CE1-CD1 3.85Å; Y21-L67 HydrophobicContact CE1-CG 3.95Å; Y21-L67 HydrophobicContact CE2-CD2 4.09Å; Y21-L67 HydrophobicContact CE2-CG 3.82Å; Y21-L67 HydrophobicContact CG-CD1 4.05Å; Y21-L67 HydrophobicContact CG-CD2 3.77Å; Y21-L67 HydrophobicContact CG-CG 3.92Å; I40-L67 HydrophobicContact CD1-CD1 3.88Å; Y43-L67 HydrophobicContact CD1-CB 3.91Å; Y43-L67 HydrophobicContact CD1-CD1 4.38Å; Y43-L67 HydrophobicContact CG-CB 4.29Å; Y43-L67 HydrophobicContact CG-CD1 4.14Å; K44-L67 WeakPolarHBondContact O-CA 3.33Å; R45-L67 HydrophobicContact CB-CD2 4.08Å; L67-T75 HydrophobicContact CD2-CG2 3.89Å; L67-L126 HydrophobicContact CD1-CD1 3.58Å; L67-L126 HydrophobicContact CD1-CD2 3.84Å; L67-L126 HydrophobicContact CD1-CG 4.23Å; L67-I128 HydrophobicContact CB-CD1 4.41Å; L67-I128 HydrophobicContact CB-CG2 3.93Å; L67-I128 HydrophobicContact CD1-CD1 4.39Å; L67-I128 HydrophobicContact CD1-CG1 4.37Å; L67-I128 WeakPolarHBondContact O-CG2 3.23Å |
| 68 | I | 94.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 49.8 Ų | 49.8 | 14% | 0.138 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.5 | 172.8 | -50.5 | -61.9 | 0 | 0 | 0 | 107.4 | Y43 K44 R46 W48 T66 D70 F136 | Y43-I68 CarbonylContact C-O 3.58Å; Y43-I68 WeakPolarHBondContact CA-O 3.47Å; K44-I68 HydrophobicContact CD-CB 4.37Å; K44-I68 HydrophobicContact CG-CB 3.79Å; K44-I68 WeakPolarHBondContact CG-O 3.46Å; K44-I68 PolarHBondContact N-O 3.08Å; K44-I68 PolarHBondContact O-N 2.94Å; R46-I68 HydrophobicContact CB-CG1 4.22Å; R46-I68 HydrophobicContact CG-CG1 4.03Å; W48-I68 HydrophobicContact CE3-CD1 3.78Å; W48-I68 HydrophobicContact CE3-CG1 3.65Å; W48-I68 HydrophobicContact CZ3-CD1 4.16Å; W48-I68 HydrophobicContact CZ3-CG1 3.72Å; W48-I68 HydrophobicContact CZ3-CG2 4.45Å; T66-I68 HydrophobicContact CG2-CD1 4.09Å; I68-D70 PolarHBondContact O-N 2.96Å; I68-F136 HydrophobicContact CD1-CE2 3.93Å; I68-F136 HydrophobicContact CD1-CZ 4.2Å |
| 69 | E | 93.8 | Very high | 95.7 | Very high | 128 Ų | 128 | 43.5 Ų | 43.5 | 60% | 0.598 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 132.9 | 175.8 | -69.5 | 177.8 | -177.8 | 0 | 0 | 110.5 | G42 Y43 K107 | G42-E69 WeakPolarHBondContact O-CA 3.49Å; Y43-E69 HydrophobicContact CD1-CG 4.17Å; Y43-E69 HydrophobicContact CE1-CG 3.66Å; E69-K107 IonicContact OE1-NZ 3.98Å; E69-K107 PolarHBondContact OE1-NZ 3.1Å |
| 70 | D | 94.9 | Very high | 95.8 | Very high | 49 Ų | 49 | 36.9 Ų | 36.9 | 26% | 0.262 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 102.2 | -179.7 | -167.9 | -30.5 | 0 | 0 | 0 | 107.7 | G42 Y43 K44 I68 D72 A73 | G42-D70 CarbonylContact C-O 3.01Å; G42-D70 WeakPolarHBondContact CA-O 3.49Å; G42-D70 PolarHBondContact O-N 3.2Å; Y43-D70 PolarHBondContact N-O 2.98Å; K44-D70 HydrophobicContact CB-CB 4.31Å; K44-D70 HydrophobicContact CD-CB 4.02Å; K44-D70 WeakPolarHBondContact CD-OD2 3.3Å; K44-D70 WeakPolarHBondContact CE-OD2 3.38Å; K44-D70 HydrophobicContact CG-CB 4.04Å; K44-D70 IonicContact NZ-OD2 2.59Å; K44-D70 PolarHBondContact NZ-OD2 3.15Å; I68-D70 PolarHBondContact O-N 2.96Å; D70-D72 PolarHBondContact O-N 3.38Å; D70-D72 VanDerWaalsContact O-N 3.16Å; D70-A73 HydrophobicContact CB-CB 3.62Å; D70-A73 WeakPolarHBondContact O-CB 3.47Å; D70-A73 PolarHBondContact O-N 3.45Å |
| 71 | D | 93.3 | Very high | 95.8 | Very high | 148 Ų | 148 | 34.2 Ų | 34.2 | 79% | 0.791 | 18% | 0.181 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -59.6 | -28.9 | -168.7 | -69.3 | -23.2 | 0 | 0 | 0 | 113.2 | ||
| 72 | D | 94.3 | Very high | 95.6 | Very high | 159 Ų | 159 | 32.7 Ų | 32.7 | 85% | 0.85 | 17% | 0.171 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -3.8 | 179.7 | -62.3 | -43.9 | 0 | 0 | 0 | 112.7 | D70 | D70-D72 PolarHBondContact O-N 3.38Å; D70-D72 VanDerWaalsContact O-N 3.16Å |
| 73 | A | 95.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 12% | 0.124 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 146.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H41 G42 Y43 K44 D70 | H41-A73 CarbonylContact C-O 3.52Å; H41-A73 WeakPolarHBondContact CA-O 2.89Å; G42-A73 PolarHBondContact N-O 2.87Å; Y43-A73 WeakPolarHBondContact O-CB 3.37Å; K44-A73 HydrophobicContact CB-CB 3.92Å; D70-A73 HydrophobicContact CB-CB 3.62Å; D70-A73 WeakPolarHBondContact O-CB 3.47Å; D70-A73 PolarHBondContact O-N 3.45Å |
| 74 | T | 95.8 | Very high | 94.5 | Very high | 61 Ų | 61 | 36 Ų | 36 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.5 | 172.8 | -63.6 | 0 | 0 | 0 | 0 | 109.1 | Y39 I40 H41 | Y39-T74 HydrophobicContact CD2-CG2 3.39Å; Y39-T74 HydrophobicContact CE2-CG2 4.23Å; Y39-T74 HydrophobicContact CG-CG2 3.58Å; I40-T74 WeakPolarHBondContact O-CA 3.26Å; H41-T74 PolarHBondContact ND1-OG1 3.46Å |
| 75 | T | 97.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.6 | 174 | -69.7 | 0 | 0 | 0 | 0 | 110.6 | Y39 I40 Y43 R45 L67 | Y39-T75 VanDerWaalsContact CA-O 3.25Å; Y39-T75 WeakPolarHBondContact CA-O 3.11Å; Y39-T75 WeakPolarHBondContact CB-O 3.05Å; I40-T75 PolarHBondContact N-O 3.16Å; I40-T75 PolarHBondContact O-N 2.78Å; Y43-T75 PolarHBondContact O-OG1 2.87Å; R45-T75 HydrophobicContact CB-CG2 4.1Å; R45-T75 PolarHBondContact N-OG1 2.86Å; L67-T75 HydrophobicContact CD2-CG2 3.89Å |
| 76 | W | 97.9 | Very high | 92.8 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 11% | 0.106 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 143.4 | 176.3 | -75.1 | 76.4 | 0 | 0 | 0 | 112.5 | V37 G38 Y39 R45 E114 M170 C174 H176 V177 | V37-W76 HydrophobicContact CG1-CE3 4.2Å; V37-W76 HydrophobicContact CG1-CZ3 4.34Å; G38-W76 WeakPolarHBondContact O-CA 3.2Å; Y39-W76 HydrophobicContact CD1-CD2 4.16Å; Y39-W76 AromaticContact CD1-CE2 3.63Å; Y39-W76 HydrophobicContact CD1-CE3 4.4Å; Y39-W76 AromaticContact CD1-CH2 3.69Å; Y39-W76 HydrophobicContact CD1-CH2 3.69Å; Y39-W76 AromaticContact CD1-CZ2 3.37Å; Y39-W76 HydrophobicContact CD1-CZ2 3.37Å; Y39-W76 HydrophobicContact CD1-CZ3 4.2Å; Y39-W76 HydrophobicContact CE1-CH2 4.13Å; Y39-W76 AromaticContact CE1-CZ2 3.87Å; Y39-W76 HydrophobicContact CE1-CZ2 3.87Å; Y39-W76 HydrophobicContact CG-CD2 4.44Å; Y39-W76 HydrophobicContact CG-CZ2 4.22Å; R45-W76 PolarHBondContact NH1-O 2.91Å; W76-E114 HydrophobicContact CH2-CB 4.18Å; W76-E114 HydrophobicContact CH2-CG 3.95Å; W76-E114 HydrophobicContact CZ3-CB 3.84Å; W76-E114 HydrophobicContact CZ3-CG 3.87Å; W76-M170 HydrophobicContact CB-CE 4.19Å; W76-M170 HydrophobicContact CB-SD 4.41Å; W76-C174 HydrophobicContact CE3-CB 4.37Å; W76-H176 AromaticContact CE2-NE2 3.95Å; W76-H176 AromaticContact CH2-CE1 3.5Å; W76-H176 VanDerWaalsContact CH2-CE1 3.5Å; W76-H176 WeakPolarHBondContact CH2-CE1 3.41Å; W76-H176 AromaticContact CH2-NE2 3.05Å; W76-H176 WeakPolarHBondContact CH2-NE2 3.3Å; W76-H176 AromaticContact CZ2-NE2 3.2Å; W76-H176 WeakPolarHBondContact CZ2-NE2 3.27Å; W76-H176 AromaticContact CZ3-CE1 3.75Å; W76-H176 AromaticContact CZ3-NE2 3.73Å; W76-V177 VanDerWaalsContact CD1-CG1 3.46Å; W76-V177 HydrophobicContact CD2-CG2 3.53Å; W76-V177 HydrophobicContact CE3-CG2 4.19Å; W76-V177 HydrophobicContact CG-CB 4.4Å; W76-V177 HydrophobicContact CG-CG1 4Å; W76-V177 HydrophobicContact CG-CG2 3.68Å; W76-V177 HydrophobicContact CZ2-CG2 3.92Å |
| 77 | G | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | -156.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G20 V37 G38 | G20-G77 VanDerWaalsContact O-CA 3.23Å; G20-G77 WeakPolarHBondContact O-CA 3.5Å; V37-G77 WeakPolarHBondContact CA-O 3.49Å; G38-G77 PolarHBondContact N-O 2.97Å; G38-G77 VanDerWaalsContact N-O 3.16Å; G38-G77 PolarHBondContact O-N 2.87Å |
| 78 | V | 97.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129.5 | 179.4 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | G20 V25 Q36 V37 F80 F169 | G20-V78 PolarHBondContact N-O 2.77Å; G20-V78 PolarHBondContact O-N 2.84Å; V25-V78 HydrophobicContact CB-CG2 4.07Å; V25-V78 HydrophobicContact CG1-CG2 4.14Å; Q36-V78 CarbonylContact O-C 3.53Å; Q36-V78 WeakPolarHBondContact O-CA 3.22Å; V37-V78 HydrophobicContact CG2-CG2 4.36Å; V78-F80 HydrophobicContact CB-CE2 3.79Å; V78-F80 HydrophobicContact CB-CZ 3.82Å; V78-F80 HydrophobicContact CG1-CD1 4.32Å; V78-F80 HydrophobicContact CG1-CD2 4.26Å; V78-F80 HydrophobicContact CG1-CE1 3.78Å; V78-F80 HydrophobicContact CG1-CE2 3.71Å; V78-F80 HydrophobicContact CG1-CZ 3.44Å; V78-F80 VanDerWaalsContact CG1-CZ 3.44Å; V78-F169 HydrophobicContact CG2-CD2 4.44Å; V78-F169 HydrophobicContact CG2-CE2 3.41Å; V78-F169 VanDerWaalsContact CG2-CE2 3.41Å; V78-F169 HydrophobicContact CG2-CZ 3.6Å |
| 79 | A | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | W17 I18 F19 S35 Q36 F111 | W17-A79 HydrophobicContact CE3-CB 3.63Å; W17-A79 HydrophobicContact CZ3-CB 4.19Å; I18-A79 CarbonylContact O-C 3.23Å; I18-A79 WeakPolarHBondContact O-CA 3.43Å; F19-A79 HydrophobicContact CD2-CB 4.43Å; S35-A79 CarbonylContact C-O 3.53Å; S35-A79 WeakPolarHBondContact CA-O 3.23Å; Q36-A79 PolarHBondContact N-O 2.86Å; Q36-A79 PolarHBondContact O-N 3.47Å; A79-F111 HydrophobicContact CB-CD1 3.53Å; A79-F111 HydrophobicContact CB-CD2 3.91Å; A79-F111 HydrophobicContact CB-CE1 3.4Å; A79-F111 HydrophobicContact CB-CE2 3.77Å; A79-F111 HydrophobicContact CB-CG 3.78Å; A79-F111 HydrophobicContact CB-CZ 3.52Å |
| 80 | F | 95.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 121.3 | 179.5 | -59.6 | -88.5 | 0 | 0 | 0 | 110.5 | W17 I18 L24 P28 F30 Y32 V78 | W17-F80 CarbonylContact C-O 3.55Å; W17-F80 VanDerWaalsContact CA-O 3.32Å; W17-F80 WeakPolarHBondContact CA-O 3.35Å; I18-F80 PolarHBondContact N-O 2.9Å; I18-F80 PolarHBondContact O-N 2.86Å; L24-F80 HydrophobicContact CB-CE2 4.31Å; L24-F80 VanDerWaalsContact O-CZ 3.26Å; L24-F80 WeakPolarHBondContact O-CZ 3.38Å; P28-F80 HydrophobicContact CB-CD1 4.48Å; P28-F80 HydrophobicContact CB-CE1 4.09Å; P28-F80 HydrophobicContact CB-CE2 4.49Å; P28-F80 HydrophobicContact CB-CZ 4.09Å; P28-F80 HydrophobicContact CG-CE1 4.15Å; P28-F80 HydrophobicContact CG-CZ 4.37Å; F30-F80 HydrophobicContact CE2-CB 3.79Å; F30-F80 HydrophobicContact CE2-CG 4.19Å; F30-F80 HydrophobicContact CZ-CB 3.95Å; F30-F80 HydrophobicContact CZ-CD2 4.1Å; F30-F80 HydrophobicContact CZ-CG 4.02Å; Y32-F80 AromaticContact CD1-CD1 3.73Å; Y32-F80 HydrophobicContact CD1-CD1 3.73Å; Y32-F80 HydrophobicContact CD1-CE1 4.35Å; Y32-F80 AromaticContact CD2-CD1 3.96Å; Y32-F80 HydrophobicContact CD2-CD1 3.96Å; Y32-F80 AromaticContact CE1-CD1 3.78Å; Y32-F80 HydrophobicContact CE1-CD1 3.78Å; Y32-F80 AromaticContact CE1-CE1 3.97Å; Y32-F80 HydrophobicContact CE1-CE1 3.97Å; Y32-F80 AromaticContact CE2-CD1 3.99Å; Y32-F80 HydrophobicContact CE2-CD1 3.99Å; Y32-F80 HydrophobicContact CE2-CE1 4.42Å; Y32-F80 HydrophobicContact CG-CB 4.29Å; Y32-F80 AromaticContact CG-CD1 3.82Å; Y32-F80 HydrophobicContact CG-CD1 3.82Å; Y32-F80 AromaticContact CZ-CD1 3.91Å; Y32-F80 AromaticContact CZ-CE1 3.99Å; V78-F80 HydrophobicContact CB-CE2 3.79Å; V78-F80 HydrophobicContact CB-CZ 3.82Å; V78-F80 HydrophobicContact CG1-CD1 4.32Å; V78-F80 HydrophobicContact CG1-CD2 4.26Å; V78-F80 HydrophobicContact CG1-CE1 3.78Å; V78-F80 HydrophobicContact CG1-CE2 3.71Å; V78-F80 HydrophobicContact CG1-CZ 3.44Å; V78-F80 VanDerWaalsContact CG1-CZ 3.44Å |
| 81 | E | 93.7 | Very high | 88.7 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 118.2 | 175.9 | -166.1 | -168.1 | -176.4 | 0 | 0 | 110 | S15 W17 Y32 K33 S34 T83 | S15-E81 WeakPolarHBondContact OG-CG 3.33Å; S15-E81 PolarHBondContact OG-OE1 3.12Å; W17-E81 HydrophobicContact CD2-CB 3.92Å; W17-E81 HydrophobicContact CD2-CG 4.3Å; W17-E81 HydrophobicContact CE3-CB 3.88Å; W17-E81 HydrophobicContact CH2-CB 3.69Å; W17-E81 HydrophobicContact CH2-CG 4.4Å; W17-E81 HydrophobicContact CZ2-CB 3.69Å; W17-E81 HydrophobicContact CZ2-CG 3.9Å; W17-E81 HydrophobicContact CZ3-CB 3.78Å; Y32-E81 CarbonylContact C-O 3.54Å; Y32-E81 WeakPolarHBondContact CA-O 3.38Å; Y32-E81 WeakPolarHBondContact CB-O 3.5Å; K33-E81 WeakPolarHBondContact CD-OE2 3.44Å; K33-E81 WeakPolarHBondContact CE-OE2 3.27Å; K33-E81 PolarHBondContact N-O 2.83Å; K33-E81 IonicContact NZ-OE1 2.61Å; K33-E81 PolarHBondContact NZ-OE1 2.72Å; K33-E81 IonicContact NZ-OE2 3.36Å; K33-E81 PolarHBondContact NZ-OE2 3.5Å; S34-E81 PolarHBondContact O-N 2.93Å; S34-E81 VanDerWaalsContact OG-CB 3.25Å; S34-E81 WeakPolarHBondContact OG-CB 3.3Å; S34-E81 PolarHBondContact OG-OE2 2.66Å; E81-T83 HydrophobicContact CG-CG2 4.19Å |
| 82 | V | 91 | Very high | 87.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.4 | 172.3 | -62.9 | 0 | 0 | 0 | 0 | 109.6 | S15 L16 I18 F30 Q86 V87 | S15-V82 CarbonylContact C-O 3.31Å; S15-V82 WeakPolarHBondContact CA-O 3.27Å; L16-V82 HydrophobicContact CB-CG2 3.98Å; L16-V82 HydrophobicContact CG-CG2 4.49Å; L16-V82 PolarHBondContact N-O 3.37Å; L16-V82 VanDerWaalsContact O-CG2 3.26Å; L16-V82 WeakPolarHBondContact O-CG2 3.4Å; L16-V82 PolarHBondContact O-N 2.93Å; I18-V82 HydrophobicContact CD1-CG1 4.12Å; I18-V82 HydrophobicContact CD1-CG2 3.85Å; I18-V82 HydrophobicContact CG1-CG2 4.45Å; F30-V82 HydrophobicContact CD2-CG1 3.9Å; F30-V82 HydrophobicContact CE2-CG1 3.83Å; V82-Q86 HydrophobicContact CB-CB 4.16Å; V82-V87 HydrophobicContact CG2-CG2 4.06Å; V82-V87 WeakPolarHBondContact O-CG2 3.37Å |
| 83 | T | 88 | Confident | 86.9 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 22% | 0.221 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.6 | -172.9 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | T14 K33 E81 S85 Q86 | T14-T83 VanDerWaalsContact O-CA 3.3Å; T14-T83 WeakPolarHBondContact O-CA 3.18Å; T14-T83 WeakPolarHBondContact O-CB 3.36Å; K33-T83 HydrophobicContact CB-CG2 4.34Å; K33-T83 HydrophobicContact CD-CG2 3.69Å; E81-T83 HydrophobicContact CG-CG2 4.19Å; T83-S85 PolarHBondContact O-N 2.76Å; T83-Q86 WeakPolarHBondContact O-CB 3.25Å; T83-Q86 WeakPolarHBondContact O-CG 3.32Å; T83-Q86 PolarHBondContact O-N 2.85Å; T83-Q86 PolarHBondContact O-OE1 2.68Å; T83-Q86 PolarHBondContact OG1-OE1 2.72Å |
| 84 | G | 83.3 | Confident | 85.8 | Confident | 47 Ų | 47 | 41.5 Ų | 41.5 | 49% | 0.485 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -127.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | T14 Q86 V87 | T14-G84 PolarHBondContact O-N 3.07Å; T14-G84 VanDerWaalsContact O-N 3.1Å; G84-Q86 PolarHBondContact O-N 3.08Å; G84-V87 WeakPolarHBondContact O-CB 3.12Å; G84-V87 WeakPolarHBondContact O-CG2 3.42Å; G84-V87 PolarHBondContact O-N 3.36Å |
| 85 | S | 78.3 | Confident | 84.6 | Confident | 89 Ų | 89 | 40.3 Ų | 40.3 | 62% | 0.622 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -64.6 | -19.3 | -179.9 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | T83 V87 E89 | T83-S85 PolarHBondContact O-N 2.76Å; S85-V87 PolarHBondContact O-N 3.23Å; S85-E89 PolarHBondContact O-N 3.31Å |
| 86 | Q | 77.9 | Confident | 83.1 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -27.4 | 177.9 | -57.4 | 170.9 | -28.8 | 0 | 0 | 112.1 | K31 V82 T83 G84 S90 | K31-Q86 HydrophobicContact CB-CG 4.48Å; V82-Q86 HydrophobicContact CB-CB 4.16Å; T83-Q86 WeakPolarHBondContact O-CB 3.25Å; T83-Q86 WeakPolarHBondContact O-CG 3.32Å; T83-Q86 PolarHBondContact O-N 2.85Å; T83-Q86 PolarHBondContact O-OE1 2.68Å; T83-Q86 PolarHBondContact OG1-OE1 2.72Å; G84-Q86 PolarHBondContact O-N 3.08Å; Q86-S90 WeakPolarHBondContact O-CB 3.11Å; Q86-S90 PolarHBondContact O-N 3.08Å; Q86-S90 PolarHBondContact O-OG 2.91Å |
| 87 | V | 78.5 | Confident | 81.5 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -54.1 | -179.8 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | L16 V82 G84 S85 E89 S90 L91 | L16-V87 HydrophobicContact CB-CG1 4.37Å; L16-V87 HydrophobicContact CB-CG2 4.41Å; L16-V87 HydrophobicContact CD2-CG1 4.23Å; V82-V87 HydrophobicContact CG2-CG2 4.06Å; V82-V87 WeakPolarHBondContact O-CG2 3.37Å; G84-V87 WeakPolarHBondContact O-CB 3.12Å; G84-V87 WeakPolarHBondContact O-CG2 3.42Å; G84-V87 PolarHBondContact O-N 3.36Å; S85-V87 PolarHBondContact O-N 3.23Å; V87-E89 PolarHBondContact O-N 3.45Å; V87-S90 PolarHBondContact O-N 2.91Å; V87-L91 HydrophobicContact CG1-CD1 3.6Å; V87-L91 HydrophobicContact CG1-CG 4.46Å; V87-L91 WeakPolarHBondContact O-CB 3.24Å; V87-L91 VanDerWaalsContact O-CD1 3.26Å; V87-L91 WeakPolarHBondContact O-CD1 2.95Å; V87-L91 WeakPolarHBondContact O-CG 3.37Å; V87-L91 PolarHBondContact O-N 3.22Å |
| 88 | E | 77.3 | Confident | 79.8 | Confident | 156 Ų | 156 | 46.9 Ų | 46.9 | 73% | 0.729 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.9 | -41.6 | -179 | -66.2 | -172.3 | 178.3 | 0 | 0 | 112.6 | K92 | E88-K92 WeakPolarHBondContact O-CB 3.17Å; E88-K92 PolarHBondContact O-N 3.3Å |
| 89 | E | 78.8 | Confident | 77.6 | Confident | 114 Ų | 114 | 50.4 Ų | 50.4 | 53% | 0.533 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 177.4 | -71 | 179.4 | -179.4 | 0 | 0 | 111.8 | S85 V87 K92 Y93 | S85-E89 PolarHBondContact O-N 3.31Å; V87-E89 PolarHBondContact O-N 3.45Å; E89-K92 PolarHBondContact O-N 2.78Å; E89-Y93 WeakPolarHBondContact O-CB 2.96Å; E89-Y93 PolarHBondContact O-N 3.33Å |
| 90 | S | 76.7 | Confident | 75.5 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.8 | -43.3 | -178.8 | -56.1 | 0 | 0 | 0 | 0 | 111 | Q86 V87 Y93 L94 | Q86-S90 WeakPolarHBondContact O-CB 3.11Å; Q86-S90 PolarHBondContact O-N 3.08Å; Q86-S90 PolarHBondContact O-OG 2.91Å; V87-S90 PolarHBondContact O-N 2.91Å; S90-Y93 PolarHBondContact O-N 3.31Å; S90-L94 WeakPolarHBondContact O-CB 3.35Å; S90-L94 VanDerWaalsContact O-CG 3.24Å; S90-L94 WeakPolarHBondContact O-CG 3.23Å; S90-L94 PolarHBondContact O-N 3.01Å |
| 91 | L | 77.2 | Confident | 73.4 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 175.8 | -68.5 | 164.8 | 0 | 0 | 0 | 112 | P3 I7 L16 V87 N95 L125 | P3-L91 HydrophobicContact CB-CD2 4.28Å; I7-L91 HydrophobicContact CD1-CD1 3.07Å; I7-L91 HydrophobicContact CD1-CD2 4.15Å; I7-L91 HydrophobicContact CD1-CG 4.21Å; I7-L91 HydrophobicContact CG1-CD1 4.41Å; L16-L91 HydrophobicContact CD2-CD1 4.39Å; L16-L91 HydrophobicContact CD2-CD2 4.02Å; L16-L91 HydrophobicContact CD2-CG 4.4Å; V87-L91 HydrophobicContact CG1-CD1 3.6Å; V87-L91 HydrophobicContact CG1-CG 4.46Å; V87-L91 WeakPolarHBondContact O-CB 3.24Å; V87-L91 VanDerWaalsContact O-CD1 3.26Å; V87-L91 WeakPolarHBondContact O-CD1 2.95Å; V87-L91 WeakPolarHBondContact O-CG 3.37Å; V87-L91 PolarHBondContact O-N 3.22Å; L91-N95 WeakPolarHBondContact O-CB 3.24Å; L91-N95 PolarHBondContact O-N 2.81Å; L91-N95 PolarHBondContact O-ND2 3.3Å; L91-L125 HydrophobicContact CD2-CD2 3.43Å; L91-L125 VanDerWaalsContact CD2-CD2 3.43Å |
| 92 | K | 75.9 | Confident | 71.5 | Confident | 156 Ų | 156 | 57.9 Ų | 57.9 | 68% | 0.678 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 175.5 | -173.7 | 178.6 | -179.7 | -177.5 | 0 | 110.5 | E88 E89 N95 V96 | E88-K92 WeakPolarHBondContact O-CB 3.17Å; E88-K92 PolarHBondContact O-N 3.3Å; E89-K92 PolarHBondContact O-N 2.78Å; K92-N95 PolarHBondContact O-N 3.41Å; K92-V96 VanDerWaalsContact O-CG2 3.31Å; K92-V96 WeakPolarHBondContact O-CG2 3.33Å; K92-V96 PolarHBondContact O-N 2.93Å |
| 93 | Y | 73.8 | Confident | 70.2 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 31% | 0.306 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.1 | -52 | 175.8 | 170.7 | -99.7 | 0 | 0 | 0 | 111.9 | D29 F30 E89 S90 N95 V96 R97 | D29-Y93 HydrophobicContact CB-CE1 4.2Å; D29-Y93 VanDerWaalsContact CB-OH 3.32Å; D29-Y93 WeakPolarHBondContact CB-OH 3.21Å; F30-Y93 HydrophobicContact CD1-CD1 4.4Å; E89-Y93 WeakPolarHBondContact O-CB 2.96Å; E89-Y93 PolarHBondContact O-N 3.33Å; S90-Y93 PolarHBondContact O-N 3.31Å; Y93-N95 VanDerWaalsContact C-N 3.31Å; Y93-N95 PolarHBondContact O-N 2.94Å; Y93-V96 PolarHBondContact O-N 2.86Å; Y93-V96 VanDerWaalsContact O-N 3.16Å; Y93-R97 WeakPolarHBondContact O-CB 3.34Å; Y93-R97 PolarHBondContact O-N 3.34Å; Y93-R97 PolarHBondContact OH-NH1 2.95Å |
| 94 | L | 72.5 | Confident | 69.5 | Low | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 178.9 | -67.9 | 171 | 0 | 0 | 0 | 111.3 | I18 L24 F30 S90 V96 R97 E98 Y127 | I18-L94 HydrophobicContact CD1-CD1 3.8Å; I18-L94 HydrophobicContact CG1-CD1 4.44Å; I18-L94 HydrophobicContact CG2-CD1 3.9Å; L24-L94 HydrophobicContact CD2-CD2 4.41Å; F30-L94 HydrophobicContact CE1-CD1 4.5Å; F30-L94 HydrophobicContact CE1-CD2 4.48Å; S90-L94 WeakPolarHBondContact O-CB 3.35Å; S90-L94 VanDerWaalsContact O-CG 3.24Å; S90-L94 WeakPolarHBondContact O-CG 3.23Å; S90-L94 PolarHBondContact O-N 3.01Å; L94-V96 PolarHBondContact O-N 3.48Å; L94-R97 PolarHBondContact O-N 2.92Å; L94-E98 WeakPolarHBondContact O-CB 2.95Å; L94-E98 VanDerWaalsContact O-CG 3.23Å; L94-E98 WeakPolarHBondContact O-CG 3.4Å; L94-E98 PolarHBondContact O-N 3.43Å; L94-Y127 HydrophobicContact CB-CE1 4.03Å; L94-Y127 HydrophobicContact CB-CE2 4.07Å; L94-Y127 HydrophobicContact CD1-CD2 4.36Å; L94-Y127 HydrophobicContact CD1-CE2 3.66Å; L94-Y127 HydrophobicContact CG-CE2 4.42Å |
| 95 | N | 71.5 | Confident | 69.4 | Low | 37 Ų | 37 | 61.2 Ų | 61.2 | 20% | 0.198 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 174.4 | -73.3 | -27.1 | 0 | 0 | 0 | 112.7 | P3 L91 K92 Y93 A99 | P3-N95 WeakPolarHBondContact CG-OD1 3.46Å; L91-N95 WeakPolarHBondContact O-CB 3.24Å; L91-N95 PolarHBondContact O-N 2.81Å; L91-N95 PolarHBondContact O-ND2 3.3Å; K92-N95 PolarHBondContact O-N 3.41Å; Y93-N95 VanDerWaalsContact C-N 3.31Å; Y93-N95 PolarHBondContact O-N 2.94Å; N95-A99 WeakPolarHBondContact O-CA 3.37Å; N95-A99 WeakPolarHBondContact O-CB 3.22Å; N95-A99 PolarHBondContact O-N 3.42Å |
| 96 | V | 66 | Low | 69.7 | Low | 88 Ų | 88 | 57.4 Ų | 57.4 | 53% | 0.533 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 175.3 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | K92 Y93 L94 E98 V100 | K92-V96 VanDerWaalsContact O-CG2 3.31Å; K92-V96 WeakPolarHBondContact O-CG2 3.33Å; K92-V96 PolarHBondContact O-N 2.93Å; Y93-V96 PolarHBondContact O-N 2.86Å; Y93-V96 VanDerWaalsContact O-N 3.16Å; L94-V96 PolarHBondContact O-N 3.48Å; V96-E98 VanDerWaalsContact C-N 3.26Å; V96-E98 PolarHBondContact O-N 3.41Å; V96-V100 HydrophobicContact CG1-CG2 4.38Å; V96-V100 WeakPolarHBondContact O-CB 3.37Å; V96-V100 VanDerWaalsContact O-CG2 3.27Å; V96-V100 WeakPolarHBondContact O-CG2 3.2Å; V96-V100 PolarHBondContact O-N 2.84Å |
| 97 | R | 63.5 | Low | 70.2 | Confident | 50 Ų | 50 | 58.2 Ų | 58.2 | 19% | 0.189 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.4 | -36.7 | 178.8 | -168.8 | 171.6 | 175.6 | 174.6 | -6.9 | 112.3 | S23 Y93 L94 | S23-R97 PolarHBondContact OG-NH2 2.88Å; Y93-R97 WeakPolarHBondContact O-CB 3.34Å; Y93-R97 PolarHBondContact O-N 3.34Å; Y93-R97 PolarHBondContact OH-NH1 2.95Å; L94-R97 PolarHBondContact O-N 2.92Å |
| 98 | E | 61.9 | Low | 70.8 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -103.4 | -28.3 | -173.2 | -57.6 | -53.8 | 157.4 | 0 | 0 | 114.6 | L94 V96 G102 Y104 Y127 | L94-E98 WeakPolarHBondContact O-CB 2.95Å; L94-E98 VanDerWaalsContact O-CG 3.23Å; L94-E98 WeakPolarHBondContact O-CG 3.4Å; L94-E98 PolarHBondContact O-N 3.43Å; V96-E98 VanDerWaalsContact C-N 3.26Å; V96-E98 PolarHBondContact O-N 3.41Å; E98-G102 PolarHBondContact O-N 3.46Å; E98-Y104 HydrophobicContact CB-CD2 4.32Å; E98-Y104 HydrophobicContact CB-CG 4.14Å; E98-Y104 HydrophobicContact CG-CD1 4.37Å; E98-Y104 HydrophobicContact CG-CG 4.23Å; E98-Y104 WeakPolarHBondContact OE2-CD1 3.11Å; E98-Y104 WeakPolarHBondContact OE2-CD2 3.31Å; E98-Y104 WeakPolarHBondContact OE2-CE1 3.2Å; E98-Y104 WeakPolarHBondContact OE2-CE2 3.42Å; E98-Y127 HydrophobicContact CB-CD1 4.4Å; E98-Y127 HydrophobicContact CG-CD1 3.87Å; E98-Y127 HydrophobicContact CG-CE1 4.43Å |
| 99 | A | 53.3 | Low | 71.6 | Confident | 84 Ų | 84 | 54 Ų | 54 | 69% | 0.694 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -80.2 | -23.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N95 | N95-A99 WeakPolarHBondContact O-CA 3.37Å; N95-A99 WeakPolarHBondContact O-CB 3.22Å; N95-A99 PolarHBondContact O-N 3.42Å |
| 100 | V | 50.8 | Low | 72.4 | Confident | 116 Ų | 116 | 52.5 Ų | 52.5 | 70% | 0.703 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -85.8 | -22.5 | 175.7 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | V96 | V96-V100 HydrophobicContact CG1-CG2 4.38Å; V96-V100 WeakPolarHBondContact O-CB 3.37Å; V96-V100 VanDerWaalsContact O-CG2 3.27Å; V96-V100 WeakPolarHBondContact O-CG2 3.2Å; V96-V100 PolarHBondContact O-N 2.84Å |
| 101 | C | 51 | Low | 73.3 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 29% | 0.291 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -111.1 | 9.1 | -174.9 | -67.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 102 | G | 53.9 | Low | 74.2 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 28% | 0.278 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 96.7 | 125.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115 | E98 Y104 N133 | E98-G102 PolarHBondContact O-N 3.46Å; G102-Y104 WeakPolarHBondContact O-CD2 3.34Å; G102-Y104 PolarHBondContact O-N 3.05Å; G102-N133 PolarHBondContact O-ND2 2.88Å |
| 103 | G | 63.6 | Low | 75.1 | Confident | 41 Ų | 41 | 45.5 Ų | 45.5 | 42% | 0.423 | 27% | 0.265 | S | S | . | . | trans | 76.1 | 5.5 | 148.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 104 | Y | 73.8 | Confident | 75.9 | Confident | 55 Ų | 55 | 45.3 Ų | 45.3 | 22% | 0.216 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 137.8 | 177 | -73.5 | -114.8 | 0 | 0 | 0 | 111.9 | E98 G102 I128 A129 | E98-Y104 HydrophobicContact CB-CD2 4.32Å; E98-Y104 HydrophobicContact CB-CG 4.14Å; E98-Y104 HydrophobicContact CG-CD1 4.37Å; E98-Y104 HydrophobicContact CG-CG 4.23Å; E98-Y104 WeakPolarHBondContact OE2-CD1 3.11Å; E98-Y104 WeakPolarHBondContact OE2-CD2 3.31Å; E98-Y104 WeakPolarHBondContact OE2-CE1 3.2Å; E98-Y104 WeakPolarHBondContact OE2-CE2 3.42Å; G102-Y104 WeakPolarHBondContact O-CD2 3.34Å; G102-Y104 PolarHBondContact O-N 3.05Å; Y104-I128 CarbonylContact C-O 3.55Å; Y104-I128 VanDerWaalsContact CA-O 3.23Å; Y104-I128 WeakPolarHBondContact CA-O 3.37Å; Y104-A129 HydrophobicContact CD1-CB 4.06Å; Y104-A129 HydrophobicContact CD2-CB 3.98Å; Y104-A129 HydrophobicContact CE1-CB 3.76Å; Y104-A129 HydrophobicContact CE2-CB 3.67Å; Y104-A129 HydrophobicContact CG-CB 4.17Å |
| 105 | I | 81 | Confident | 76.2 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 29% | 0.292 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 154 | 167.8 | 66.1 | 170.5 | 0 | 0 | 0 | 110 | K107 Y127 I128 T130 | I105-K107 HydrophobicContact CD1-CD 4.49Å; I105-K107 HydrophobicContact CD1-CG 4.36Å; I105-Y127 WeakPolarHBondContact O-CA 3.18Å; I105-I128 HydrophobicContact CG1-CB 4.25Å; I105-I128 PolarHBondContact N-O 3.37Å; I105-I128 PolarHBondContact O-N 3.21Å; I105-T130 HydrophobicContact CB-CG2 4.27Å; I105-T130 HydrophobicContact CD1-CG2 3.57Å; I105-T130 HydrophobicContact CG1-CG2 3.65Å; I105-T130 HydrophobicContact CG2-CG2 3.7Å |
| 106 | T | 84.8 | Confident | 76 | Confident | 10 Ų | 10 | 52.5 Ų | 52.5 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135 | 171 | 55 | 0 | 0 | 0 | 0 | 111.5 | M1 P3 I6 L125 L126 Y127 | M1-T106 PolarHBondContact O-OG1 3.15Å; P3-T106 HydrophobicContact CB-CG2 4Å; P3-T106 HydrophobicContact CG-CG2 3.79Å; I6-T106 WeakPolarHBondContact CD1-OG1 3.47Å; T106-L125 HydrophobicContact CG2-CD1 4.48Å; T106-L126 CarbonylContact C-O 3.55Å; T106-L126 VanDerWaalsContact CA-O 3.24Å; T106-L126 WeakPolarHBondContact CA-O 3.26Å; T106-Y127 HydrophobicContact CG2-CD1 3.53Å; T106-Y127 HydrophobicContact CG2-CD2 4.37Å; T106-Y127 HydrophobicContact CG2-CE1 3.38Å; T106-Y127 HydrophobicContact CG2-CE2 4.24Å; T106-Y127 HydrophobicContact CG2-CG 4.04Å |
| 107 | K | 88.9 | Confident | 75.6 | Confident | 56 Ų | 56 | 58 Ų | 58 | 24% | 0.243 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 150.3 | 172.7 | -66.2 | -170.8 | 178.7 | -169.5 | 0 | 110.2 | Y43 E69 I105 V109 L126 I128 | Y43-K107 WeakPolarHBondContact OH-CD 3.45Å; Y43-K107 PolarHBondContact OH-NZ 3.46Å; E69-K107 IonicContact OE1-NZ 3.98Å; E69-K107 PolarHBondContact OE1-NZ 3.1Å; I105-K107 HydrophobicContact CD1-CD 4.49Å; I105-K107 HydrophobicContact CD1-CG 4.36Å; K107-V109 HydrophobicContact CB-CG1 4.39Å; K107-L126 PolarHBondContact N-O 3.1Å; K107-L126 PolarHBondContact O-N 2.67Å; K107-I128 HydrophobicContact CD-CD1 4.26Å |
| 108 | L | 91.4 | Very high | 75.6 | Confident | 61 Ų | 61 | 59 Ų | 59 | 32% | 0.319 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 132.1 | 162.3 | -71.9 | 175.7 | 0 | 0 | 0 | 108 | I6 A124 L125 | I6-L108 HydrophobicContact CG2-CD1 3.58Å; I6-L108 HydrophobicContact CG2-CD2 4.19Å; I6-L108 HydrophobicContact CG2-CG 3.76Å; L108-A124 WeakPolarHBondContact CA-O 3.18Å; L108-L125 HydrophobicContact CD2-CB 4.35Å; L108-L125 HydrophobicContact CD2-CD1 4.13Å |
| 109 | V | 93.9 | Very high | 75.6 | Confident | 15 Ų | 15 | 63 Ų | 63 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 154 | -179.4 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | I40 Y43 K107 F111 A124 L126 | I40-V109 HydrophobicContact CB-CG2 4.42Å; I40-V109 HydrophobicContact CD1-CG2 4.45Å; I40-V109 HydrophobicContact CG2-CG2 3.76Å; Y43-V109 HydrophobicContact CE2-CG1 3.99Å; K107-V109 HydrophobicContact CB-CG1 4.39Å; V109-F111 PolarHBondContact O-N 3.03Å; V109-A124 PolarHBondContact N-O 3.2Å; V109-A124 PolarHBondContact O-N 3.19Å; V109-L126 HydrophobicContact CG1-CB 4.32Å; V109-L126 HydrophobicContact CG1-CD2 3.69Å; V109-L126 HydrophobicContact CG2-CB 3.91Å; V109-L126 HydrophobicContact CG2-CD2 4.12Å |
| 110 | D | 94.8 | Very high | 76.8 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 116.7 | 170.2 | -65.9 | -43.2 | 0 | 0 | 0 | 109.1 | T121 Q123 | D110-T121 HydrophobicContact CB-CG2 4.18Å; D110-Q123 PolarHBondContact OD1-NE2 3.1Å |
| 111 | F | 95.8 | Very high | 78.6 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 132 | 171.3 | 168.1 | -104.9 | 0 | 0 | 0 | 109.3 | F19 Q36 G38 Y39 I40 A79 V109 P113 T121 Q122 A124 | F19-F111 AromaticContact CD2-CD2 3.56Å; F19-F111 HydrophobicContact CD2-CD2 3.56Å; F19-F111 AromaticContact CD2-CE2 3.96Å; F19-F111 HydrophobicContact CD2-CE2 3.96Å; F19-F111 HydrophobicContact CD2-CG 4.45Å; F19-F111 AromaticContact CE2-CD2 3.64Å; F19-F111 HydrophobicContact CE2-CD2 3.64Å; F19-F111 AromaticContact CE2-CE2 3.8Å; F19-F111 HydrophobicContact CE2-CE2 3.8Å; Q36-F111 HydrophobicContact CB-CE1 4.1Å; Q36-F111 HydrophobicContact CB-CZ 4.15Å; Q36-F111 WeakPolarHBondContact O-CZ 3.33Å; G38-F111 VanDerWaalsContact C-CE2 3.46Å; G38-F111 VanDerWaalsContact CA-CE2 3.44Å; Y39-F111 WeakPolarHBondContact O-CA 3.2Å; I40-F111 HydrophobicContact CG2-CB 4.4Å; I40-F111 HydrophobicContact CG2-CD2 4.49Å; A79-F111 HydrophobicContact CB-CD1 3.53Å; A79-F111 HydrophobicContact CB-CD2 3.91Å; A79-F111 HydrophobicContact CB-CE1 3.4Å; A79-F111 HydrophobicContact CB-CE2 3.77Å; A79-F111 HydrophobicContact CB-CG 3.78Å; A79-F111 HydrophobicContact CB-CZ 3.52Å; V109-F111 PolarHBondContact O-N 3.03Å; F111-P113 HydrophobicContact CD1-CG 4.18Å; F111-P113 HydrophobicContact CE1-CB 4.04Å; F111-P113 HydrophobicContact CE1-CG 3.72Å; F111-P113 HydrophobicContact CZ-CB 4.42Å; F111-T121 CarbonylContact O-C 3.58Å; F111-T121 WeakPolarHBondContact O-CA 3.29Å; F111-Q122 WeakPolarHBondContact CB-O 3.4Å; F111-Q122 HydrophobicContact CD1-CB 4.27Å; F111-Q122 PolarHBondContact N-O 3.01Å; F111-Q122 PolarHBondContact O-N 3.04Å; F111-A124 HydrophobicContact CB-CB 3.88Å |
| 112 | I | 95.4 | Very high | 80.4 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 8% | 0.082 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 111.4 | 178.5 | -61.1 | 154.9 | 0 | 0 | 0 | 107.5 | G38 Y39 H41 T121 | G38-I112 CarbonylContact C-O 3.58Å; G38-I112 WeakPolarHBondContact CA-O 3.39Å; Y39-I112 HydrophobicContact CD2-CB 4.29Å; Y39-I112 HydrophobicContact CD2-CD1 4.18Å; Y39-I112 HydrophobicContact CE1-CB 4.11Å; Y39-I112 HydrophobicContact CE1-CG2 3.9Å; Y39-I112 HydrophobicContact CE2-CB 3.85Å; Y39-I112 HydrophobicContact CE2-CD1 3.43Å; Y39-I112 VanDerWaalsContact CE2-CD1 3.43Å; Y39-I112 HydrophobicContact CE2-CG1 4.23Å; Y39-I112 HydrophobicContact CE2-CG2 4.2Å; Y39-I112 PolarHBondContact N-O 3.5Å; Y39-I112 PolarHBondContact O-N 3.16Å; Y39-I112 WeakPolarHBondContact OH-CG2 3.48Å; H41-I112 WeakPolarHBondContact NE2-CD1 3.44Å; I112-T121 HydrophobicContact CG1-CG2 3.86Å |
| 113 | P | 94.8 | Very high | 82.3 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 5% | 0.045 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 145.5 | 175.8 | -14.6 | 27 | 0 | 0 | 0 | 111.6 | Q36 F111 D116 Q120 | Q36-P113 VanDerWaalsContact OE1-CG 3.23Å; F111-P113 HydrophobicContact CD1-CG 4.18Å; F111-P113 HydrophobicContact CE1-CB 4.04Å; F111-P113 HydrophobicContact CE1-CG 3.72Å; F111-P113 HydrophobicContact CZ-CB 4.42Å; P113-D116 HydrophobicContact CB-CB 4.03Å; P113-D116 HydrophobicContact CG-CB 4.17Å; P113-Q120 WeakPolarHBondContact CD-O 3.26Å |
| 114 | E | 90.6 | Very high | 83.8 | Confident | 73 Ų | 73 | 64.2 Ų | 64.2 | 34% | 0.341 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -44.8 | 177.5 | -175.5 | 175.7 | -177.7 | 0 | 0 | 112.5 | V37 W76 D116 H176 | V37-E114 WeakPolarHBondContact CG1-OE2 3.1Å; V37-E114 PolarHBondContact O-N 3.01Å; W76-E114 HydrophobicContact CH2-CB 4.18Å; W76-E114 HydrophobicContact CH2-CG 3.95Å; W76-E114 HydrophobicContact CZ3-CB 3.84Å; W76-E114 HydrophobicContact CZ3-CG 3.87Å; E114-D116 PolarHBondContact O-N 3.19Å; E114-H176 IonicContact OE1-CE1 2.73Å; E114-H176 PolarHBondContact OE1-CE1 3.05Å; E114-H176 IonicContact OE1-ND1 2.97Å; E114-H176 PolarHBondContact OE1-ND1 3.3Å |
| 115 | D | 79.1 | Confident | 84.7 | Confident | 152 Ų | 152 | 61.7 Ų | 61.7 | 81% | 0.813 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 1.2 | -172.7 | -70.8 | -34.2 | 0 | 0 | 0 | 113.8 | Q117 | D115-Q117 PolarHBondContact O-N 2.7Š|
| 116 | D | 67.2 | Low | 85.2 | Confident | 38 Ų | 38 | 59 Ų | 59 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | trans | -88.9 | 93.7 | -174.7 | -169 | 5.9 | 0 | 0 | 0 | 112.2 | P113 E114 S118 N119 Q120 | P113-D116 HydrophobicContact CB-CB 4.03Å; P113-D116 HydrophobicContact CG-CB 4.17Å; E114-D116 PolarHBondContact O-N 3.19Å; D116-S118 VanDerWaalsContact CG-OG 3.26Å; D116-S118 PolarHBondContact O-N 3.38Å; D116-S118 WeakPolarHBondContact OD1-CA 3.49Å; D116-S118 WeakPolarHBondContact OD1-CB 3.5Å; D116-S118 PolarHBondContact OD1-N 3.29Å; D116-S118 PolarHBondContact OD1-OG 3.3Å; D116-S118 PolarHBondContact OD2-OG 2.99Å; D116-N119 PolarHBondContact O-N 2.9Å; D116-Q120 WeakPolarHBondContact OD2-CA 3.31Å; D116-Q120 VanDerWaalsContact OD2-CB 3.27Å; D116-Q120 WeakPolarHBondContact OD2-CB 3.3Å; D116-Q120 PolarHBondContact OD2-N 2.83Å | ||
| 117 | Q | 58.8 | Low | 85.4 | Confident | 204 Ų | 204 | 59.1 Ų | 59.1 | 95% | 0.953 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -13.1 | 172.9 | -63.3 | -161.3 | 2.7 | 0 | 0 | 113.7 | D115 | D115-Q117 PolarHBondContact O-N 2.7Š|
| 118 | S | 63.3 | Low | 85.4 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 49% | 0.49 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -3.5 | 177.2 | 75.8 | 0 | 0 | 0 | 0 | 114.3 | D116 Q120 | D116-S118 VanDerWaalsContact CG-OG 3.26Å; D116-S118 PolarHBondContact O-N 3.38Å; D116-S118 WeakPolarHBondContact OD1-CA 3.49Å; D116-S118 WeakPolarHBondContact OD1-CB 3.5Å; D116-S118 PolarHBondContact OD1-N 3.29Å; D116-S118 PolarHBondContact OD1-OG 3.3Å; D116-S118 PolarHBondContact OD2-OG 2.99Å; S118-Q120 PolarHBondContact O-N 3.12Å; S118-Q120 WeakPolarHBondContact OG-CG 3.46Å |
| 119 | N | 62.1 | Low | 85.1 | Confident | 116 Ų | 116 | 53.9 Ų | 53.9 | 62% | 0.62 | 28% | 0.279 | S | S | * | . | trans | 50.4 | 33.6 | -174.8 | -82 | -9.4 | 0 | 0 | 0 | 113.1 | D116 T121 | D116-N119 PolarHBondContact O-N 2.9Å; N119-T121 PolarHBondContact O-N 2.98Å; N119-T121 VanDerWaalsContact O-N 3.15Å | ||
| 120 | Q | 78.1 | Confident | 84.4 | Confident | 135 Ų | 135 | 54.4 Ų | 54.4 | 63% | 0.631 | 28% | 0.282 | S | S | * | . | trans | -73 | 113.8 | 176.5 | -74.1 | -178 | 2.7 | 0 | 0 | 109.9 | P113 D116 S118 | P113-Q120 WeakPolarHBondContact CD-O 3.26Å; D116-Q120 WeakPolarHBondContact OD2-CA 3.31Å; D116-Q120 VanDerWaalsContact OD2-CB 3.27Å; D116-Q120 WeakPolarHBondContact OD2-CB 3.3Å; D116-Q120 PolarHBondContact OD2-N 2.83Å; S118-Q120 PolarHBondContact O-N 3.12Å; S118-Q120 WeakPolarHBondContact OG-CG 3.46Å | ||
| 121 | T | 87.4 | Confident | 83.9 | Confident | 80 Ų | 80 | 53.9 Ų | 53.9 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | trans | -70 | 132.7 | 173.1 | 53.3 | 0 | 0 | 0 | 0 | 110.4 | D110 F111 I112 N119 | D110-T121 HydrophobicContact CB-CG2 4.18Å; F111-T121 CarbonylContact O-C 3.58Å; F111-T121 WeakPolarHBondContact O-CA 3.29Å; I112-T121 HydrophobicContact CG1-CG2 3.86Å; N119-T121 PolarHBondContact O-N 2.98Å; N119-T121 VanDerWaalsContact O-N 3.15Å | ||
| 122 | Q | 90.6 | Very high | 83.3 | Confident | 39 Ų | 39 | 61 Ų | 61 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137.1 | 169.9 | -60.9 | 167.6 | 4.9 | 0 | 0 | 109.1 | W17 Q36 F111 A124 | W17-Q122 VanDerWaalsContact CD2-OE1 3.28Å; W17-Q122 HydrophobicContact CG-CB 4.49Å; W17-Q122 VanDerWaalsContact CZ2-OE1 3.23Å; Q36-Q122 VanDerWaalsContact OE1-NE2 3.1Å; F111-Q122 WeakPolarHBondContact CB-O 3.4Å; F111-Q122 HydrophobicContact CD1-CB 4.27Å; F111-Q122 PolarHBondContact N-O 3.01Å; F111-Q122 PolarHBondContact O-N 3.04Å; Q122-A124 PolarHBondContact O-N 2.97Å |
| 123 | Q | 93.4 | Very high | 82.8 | Confident | 82 Ų | 82 | 60.7 Ų | 60.7 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 117.9 | 174.4 | -80.5 | -87.4 | -56.5 | 0 | 0 | 110 | D110 | D110-Q123 PolarHBondContact OD1-NE2 3.1Å |
| 124 | A | 93.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W17 F19 L108 V109 F111 Q122 | W17-A124 HydrophobicContact CB-CB 3.9Å; W17-A124 CarbonylContact O-C 3.58Å; W17-A124 WeakPolarHBondContact O-CA 3.15Å; F19-A124 HydrophobicContact CB-CB 3.96Å; L108-A124 WeakPolarHBondContact CA-O 3.18Å; V109-A124 PolarHBondContact N-O 3.2Å; V109-A124 PolarHBondContact O-N 3.19Å; F111-A124 HydrophobicContact CB-CB 3.88Å; Q122-A124 PolarHBondContact O-N 2.97Å |
| 125 | L | 93.1 | Very high | 82.4 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126.2 | 171.3 | -171.4 | 68.5 | 0 | 0 | 0 | 109.6 | P3 I6 L16 W17 I18 F19 L91 T106 L108 Y127 | P3-L125 HydrophobicContact CB-CD2 4.38Å; I6-L125 HydrophobicContact CD1-CD1 3.98Å; L16-L125 HydrophobicContact CD1-CB 4.19Å; L16-L125 HydrophobicContact CD2-CB 4.42Å; L16-L125 HydrophobicContact CD2-CD2 4.12Å; W17-L125 PolarHBondContact O-N 3.2Å; I18-L125 WeakPolarHBondContact CA-O 3.31Å; F19-L125 PolarHBondContact N-O 2.86Å; L91-L125 HydrophobicContact CD2-CD2 3.43Å; L91-L125 VanDerWaalsContact CD2-CD2 3.43Å; T106-L125 HydrophobicContact CG2-CD1 4.48Å; L108-L125 HydrophobicContact CD2-CB 4.35Å; L108-L125 HydrophobicContact CD2-CD1 4.13Å; L125-Y127 HydrophobicContact CD2-CE2 3.59Å; L125-Y127 HydrophobicContact CG-CD2 4.47Å; L125-Y127 HydrophobicContact CG-CE2 3.93Å |
| 126 | L | 91.8 | Very high | 83 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.6 | -177.7 | 172.3 | 64.6 | 0 | 0 | 0 | 109.7 | F19 Y21 I40 Y43 L67 T106 K107 V109 I128 | F19-L126 HydrophobicContact CD1-CD1 3.92Å; Y21-L126 HydrophobicContact CD1-CD1 3.6Å; Y21-L126 HydrophobicContact CE1-CD1 3.52Å; I40-L126 HydrophobicContact CD1-CD1 4.33Å; I40-L126 HydrophobicContact CD1-CD2 3.76Å; Y43-L126 HydrophobicContact CD2-CD2 4.39Å; Y43-L126 HydrophobicContact CE2-CD2 4.19Å; L67-L126 HydrophobicContact CD1-CD1 3.58Å; L67-L126 HydrophobicContact CD1-CD2 3.84Å; L67-L126 HydrophobicContact CD1-CG 4.23Å; T106-L126 CarbonylContact C-O 3.55Å; T106-L126 VanDerWaalsContact CA-O 3.24Å; T106-L126 WeakPolarHBondContact CA-O 3.26Å; K107-L126 PolarHBondContact N-O 3.1Å; K107-L126 PolarHBondContact O-N 2.67Å; V109-L126 HydrophobicContact CG1-CB 4.32Å; V109-L126 HydrophobicContact CG1-CD2 3.69Å; V109-L126 HydrophobicContact CG2-CB 3.91Å; V109-L126 HydrophobicContact CG2-CD2 4.12Å; L126-I128 HydrophobicContact CD1-CG1 4.17Å; L126-I128 HydrophobicContact CD2-CD1 3.48Å; L126-I128 VanDerWaalsContact CD2-CD1 3.48Å; L126-I128 HydrophobicContact CD2-CG1 3.79Å; L126-I128 HydrophobicContact CG-CD1 3.88Å; L126-I128 HydrophobicContact CG-CG1 3.58Å |
| 127 | Y | 89.3 | Confident | 84.3 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 5% | 0.051 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.4 | 174.7 | -73.6 | -101.5 | 0 | 0 | 0 | 109.7 | P3 Y21 L94 E98 I105 T106 L125 | P3-Y127 HydrophobicContact CG-CE1 4.42Å; Y21-Y127 WeakPolarHBondContact CE1-O 3.35Å; Y21-Y127 VanDerWaalsContact CZ-O 3.31Å; Y21-Y127 PolarHBondContact OH-O 3.45Å; L94-Y127 HydrophobicContact CB-CE1 4.03Å; L94-Y127 HydrophobicContact CB-CE2 4.07Å; L94-Y127 HydrophobicContact CD1-CD2 4.36Å; L94-Y127 HydrophobicContact CD1-CE2 3.66Å; L94-Y127 HydrophobicContact CG-CE2 4.42Å; E98-Y127 HydrophobicContact CB-CD1 4.4Å; E98-Y127 HydrophobicContact CG-CD1 3.87Å; E98-Y127 HydrophobicContact CG-CE1 4.43Å; I105-Y127 WeakPolarHBondContact O-CA 3.18Å; T106-Y127 HydrophobicContact CG2-CD1 3.53Å; T106-Y127 HydrophobicContact CG2-CD2 4.37Å; T106-Y127 HydrophobicContact CG2-CE1 3.38Å; T106-Y127 HydrophobicContact CG2-CE2 4.24Å; T106-Y127 HydrophobicContact CG2-CG 4.04Å; L125-Y127 HydrophobicContact CD2-CE2 3.59Å; L125-Y127 HydrophobicContact CG-CD2 4.47Å; L125-Y127 HydrophobicContact CG-CE2 3.93Å |
| 128 | I | 87.9 | Confident | 86.1 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.6 | -176 | -45.3 | 178.9 | 0 | 0 | 0 | 110.6 | Y43 L67 Y104 I105 K107 L126 T130 | Y43-I128 HydrophobicContact CD1-CD1 4.08Å; Y43-I128 HydrophobicContact CE1-CD1 3.55Å; L67-I128 HydrophobicContact CB-CD1 4.41Å; L67-I128 HydrophobicContact CB-CG2 3.93Å; L67-I128 HydrophobicContact CD1-CD1 4.39Å; L67-I128 HydrophobicContact CD1-CG1 4.37Å; L67-I128 WeakPolarHBondContact O-CG2 3.23Å; Y104-I128 CarbonylContact C-O 3.55Å; Y104-I128 VanDerWaalsContact CA-O 3.23Å; Y104-I128 WeakPolarHBondContact CA-O 3.37Å; I105-I128 HydrophobicContact CG1-CB 4.25Å; I105-I128 PolarHBondContact N-O 3.37Å; I105-I128 PolarHBondContact O-N 3.21Å; K107-I128 HydrophobicContact CD-CD1 4.26Å; L126-I128 HydrophobicContact CD1-CG1 4.17Å; L126-I128 HydrophobicContact CD2-CD1 3.48Å; L126-I128 VanDerWaalsContact CD2-CD1 3.48Å; L126-I128 HydrophobicContact CD2-CG1 3.79Å; L126-I128 HydrophobicContact CG-CD1 3.88Å; L126-I128 HydrophobicContact CG-CG1 3.58Å; I128-T130 PolarHBondContact O-N 2.73Å |
| 129 | A | 85.2 | Confident | 87.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 115.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | H49 T66 Y104 | H49-A129 WeakPolarHBondContact CD2-CB 3.32Å; H49-A129 WeakPolarHBondContact NE2-CB 3.48Å; T66-A129 PolarHBondContact OG1-N 2.87Å; T66-A129 PolarHBondContact OG1-O 2.84Å; Y104-A129 HydrophobicContact CD1-CB 4.06Å; Y104-A129 HydrophobicContact CD2-CB 3.98Å; Y104-A129 HydrophobicContact CE1-CB 3.76Å; Y104-A129 HydrophobicContact CE2-CB 3.67Å; Y104-A129 HydrophobicContact CG-CB 4.17Å |
| 130 | T | 80.9 | Confident | 89.4 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 16% | 0.16 | 28% | 0.279 | C | S | . | . | trans | -73.6 | 159.9 | -179.1 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | I105 I128 D132 N133 | I105-T130 HydrophobicContact CB-CG2 4.27Å; I105-T130 HydrophobicContact CD1-CG2 3.57Å; I105-T130 HydrophobicContact CG1-CG2 3.65Å; I105-T130 HydrophobicContact CG2-CG2 3.7Å; I128-T130 PolarHBondContact O-N 2.73Å; T130-D132 PolarHBondContact O-N 3.35Å; T130-N133 WeakPolarHBondContact O-CB 3.41Å; T130-N133 PolarHBondContact O-N 2.91Å; T130-N133 VanDerWaalsContact O-N 3.08Å | ||
| 131 | P | 83.9 | Confident | 90.4 | Very high | 72 Ų | 72 | 45.4 Ų | 45.4 | 47% | 0.468 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.9 | 171.4 | -26.5 | 36.6 | 0 | 0 | 0 | 114.8 | N133 F136 | P131-N133 PolarHBondContact O-N 3.14Å; P131-F136 HydrophobicContact CB-CD1 4.06Å; P131-F136 HydrophobicContact CB-CE1 3.92Å; P131-F136 HydrophobicContact CB-CE2 4.41Å; P131-F136 HydrophobicContact CB-CG 4.35Å; P131-F136 HydrophobicContact CB-CZ 4.1Å; P131-F136 HydrophobicContact CG-CE2 4.45Å; P131-F136 HydrophobicContact CG-CZ 4.3Å; P131-F136 WeakPolarHBondContact O-CB 2.95Å |
| 132 | D | 82.2 | Confident | 90.9 | Very high | 150 Ų | 150 | 43.4 Ų | 43.4 | 80% | 0.802 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -5.2 | 176.2 | -60.2 | -36.6 | 0 | 0 | 0 | 112.9 | T130 | T130-D132 PolarHBondContact O-N 3.35Š|
| 133 | N | 84.9 | Confident | 91.3 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -66.8 | 131.6 | 176 | -167.7 | -38.8 | 0 | 0 | 0 | 110.5 | H49 G102 T130 P131 L135 F136 | H49-N133 PolarHBondContact NE2-ND2 3.16Å; G102-N133 PolarHBondContact O-ND2 2.88Å; T130-N133 WeakPolarHBondContact O-CB 3.41Å; T130-N133 PolarHBondContact O-N 2.91Å; T130-N133 VanDerWaalsContact O-N 3.08Å; P131-N133 PolarHBondContact O-N 3.14Å; N133-L135 PolarHBondContact O-N 3.34Å; N133-L135 WeakPolarHBondContact OD1-CB 3.27Å; N133-L135 PolarHBondContact OD1-N 3.02Å; N133-F136 HydrophobicContact CB-CB 4.39Å; N133-F136 WeakPolarHBondContact O-CB 3.4Å; N133-F136 PolarHBondContact O-N 3Å |
| 134 | P | 87.1 | Confident | 91.5 | Very high | 130 Ų | 130 | 47.1 Ų | 47.1 | 84% | 0.844 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -24.8 | 174.6 | -26.4 | 34.6 | 0 | 0 | 0 | 114.6 | F136 | P134-F136 VanDerWaalsContact C-N 3.33Š|
| 135 | L | 89.8 | Confident | 91.8 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 0.1 | 176.1 | -63.4 | 177.7 | 0 | 0 | 0 | 113.1 | G50 N133 L137 | G50-L135 WeakPolarHBondContact CA-O 3.33Å; G50-L135 PolarHBondContact N-O 3.48Å; N133-L135 PolarHBondContact O-N 3.34Å; N133-L135 WeakPolarHBondContact OD1-CB 3.27Å; N133-L135 PolarHBondContact OD1-N 3.02Å; L135-L137 PolarHBondContact O-N 3.4Å; L135-L137 VanDerWaalsContact O-N 3.1Å |
| 136 | F | 92.3 | Very high | 92 | Very high | 54 Ų | 54 | 47.1 Ų | 47.1 | 24% | 0.237 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -68.4 | 109.9 | 174.3 | -173.6 | -107.4 | 0 | 0 | 0 | 110.2 | W48 T66 I68 P131 N133 P134 G138 | W48-F136 HydrophobicContact CB-CD2 4.5Å; W48-F136 HydrophobicContact CB-CE2 3.8Å; W48-F136 HydrophobicContact CB-CZ 4.25Å; W48-F136 HydrophobicContact CE3-CE2 4.43Å; W48-F136 HydrophobicContact CE3-CZ 4.08Å; T66-F136 HydrophobicContact CG2-CE2 4.31Å; I68-F136 HydrophobicContact CD1-CE2 3.93Å; I68-F136 HydrophobicContact CD1-CZ 4.2Å; P131-F136 HydrophobicContact CB-CD1 4.06Å; P131-F136 HydrophobicContact CB-CE1 3.92Å; P131-F136 HydrophobicContact CB-CE2 4.41Å; P131-F136 HydrophobicContact CB-CG 4.35Å; P131-F136 HydrophobicContact CB-CZ 4.1Å; P131-F136 HydrophobicContact CG-CE2 4.45Å; P131-F136 HydrophobicContact CG-CZ 4.3Å; P131-F136 WeakPolarHBondContact O-CB 2.95Å; N133-F136 HydrophobicContact CB-CB 4.39Å; N133-F136 WeakPolarHBondContact O-CB 3.4Å; N133-F136 PolarHBondContact O-N 3Å; P134-F136 VanDerWaalsContact C-N 3.33Å; F136-G138 VanDerWaalsContact CE1-CA 3.46Å |
| 137 | L | 95.3 | Very high | 92.3 | Very high | 66 Ų | 66 | 52 Ų | 52 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | trans | -89 | -11.9 | 180 | -60 | 179.8 | 0 | 0 | 0 | 112.6 | W48 R63 L135 | W48-L137 PolarHBondContact O-N 3.47Å; R63-L137 HydrophobicContact CG-CD1 3.78Å; L135-L137 PolarHBondContact O-N 3.4Å; L135-L137 VanDerWaalsContact O-N 3.1Å | ||
| 138 | G | 95.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | trans | 68.7 | -172.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | W48 R63 F136 | W48-G138 VanDerWaalsContact CD1-O 3.3Å; W48-G138 PolarHBondContact O-N 3.4Å; W48-G138 VanDerWaalsContact O-N 3.12Å; R63-G138 PolarHBondContact NH1-O 2.94Å; F136-G138 VanDerWaalsContact CE1-CA 3.46Å | ||
| 139 | P | 97.4 | Very high | 93.2 | Very high | 94 Ų | 94 | 52.2 Ų | 52.2 | 61% | 0.61 | 30% | 0.3 | S | S | * | . | trans | -61.8 | 141.2 | 178.8 | -17.2 | 29.2 | 0 | 0 | 0 | 112.6 | W48 | W48-P139 HydrophobicContact CD2-CB 4.38Å; W48-P139 HydrophobicContact CD2-CG 4.16Å; W48-P139 HydrophobicContact CE3-CG 4.01Å; W48-P139 HydrophobicContact CH2-CB 4.1Å; W48-P139 HydrophobicContact CH2-CG 3.72Å; W48-P139 HydrophobicContact CZ2-CB 3.74Å; W48-P139 HydrophobicContact CZ2-CG 3.87Å; W48-P139 HydrophobicContact CZ3-CG 3.79Å | ||
| 140 | A | 98.1 | Very high | 93.8 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | trans | -153.1 | 164.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | V144 I145 | A140-V144 HydrophobicContact CB-CB 4.21Å; A140-V144 HydrophobicContact CB-CG1 4.06Å; A140-I145 HydrophobicContact CB-CD1 4.22Å; A140-I145 HydrophobicContact CB-CG1 3.81Å; A140-I145 WeakPolarHBondContact O-CD1 3.43Å | ||
| 141 | S | 98.4 | Very high | 94.5 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | trans | -67.2 | 155.2 | 178.5 | 87.5 | 0 | 0 | 0 | 0 | 111.1 | E143 V144 I145 | S141-E143 WeakPolarHBondContact CB-OE2 3.42Å; S141-E143 PolarHBondContact O-N 2.84Å; S141-E143 PolarHBondContact OG-N 3.29Å; S141-E143 PolarHBondContact OG-OE2 3.15Å; S141-V144 PolarHBondContact O-N 2.65Å; S141-V144 VanDerWaalsContact O-N 3.15Å; S141-V144 PolarHBondContact OG-N 3.45Å; S141-I145 WeakPolarHBondContact O-CG1 3.48Å; S141-I145 PolarHBondContact O-N 3.28Å | ||
| 142 | P | 98.5 | Very high | 95.2 | Very high | 38 Ų | 38 | 53.1 Ų | 53.1 | 25% | 0.247 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.9 | -34.2 | 175.9 | -27.6 | 36.5 | 0 | 0 | 0 | 113.3 | G146 I185 A188 | P142-G146 WeakPolarHBondContact O-CA 3.35Å; P142-G146 PolarHBondContact O-N 3.02Å; P142-I185 HydrophobicContact CB-CG1 4.12Å; P142-A188 WeakPolarHBondContact O-CB 3.42Å |
| 143 | E | 98.4 | Very high | 95.8 | Very high | 118 Ų | 118 | 51 Ų | 51 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.2 | -45.2 | 178.5 | -55.5 | 71.4 | -154.4 | 0 | 0 | 111.6 | S141 G146 H147 | S141-E143 WeakPolarHBondContact CB-OE2 3.42Å; S141-E143 PolarHBondContact O-N 2.84Å; S141-E143 PolarHBondContact OG-N 3.29Å; S141-E143 PolarHBondContact OG-OE2 3.15Å; E143-G146 PolarHBondContact O-N 2.99Å; E143-H147 VanDerWaalsContact O-CB 3.27Å; E143-H147 WeakPolarHBondContact O-CB 3.42Å; E143-H147 PolarHBondContact O-N 3.32Å |
| 144 | V | 98.3 | Very high | 96.3 | Very high | 81 Ų | 81 | 51.3 Ų | 51.3 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 176.3 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | A140 S141 Q148 | A140-V144 HydrophobicContact CB-CB 4.21Å; A140-V144 HydrophobicContact CB-CG1 4.06Å; S141-V144 PolarHBondContact O-N 2.65Å; S141-V144 VanDerWaalsContact O-N 3.15Å; S141-V144 PolarHBondContact OG-N 3.45Å; V144-Q148 PolarHBondContact O-N 3.18Å |
| 145 | I | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 178.9 | -63.5 | 173.3 | 0 | 0 | 0 | 110.5 | F47 A140 S141 H147 Q148 I149 I185 | F47-I145 HydrophobicContact CB-CG2 3.84Å; A140-I145 HydrophobicContact CB-CD1 4.22Å; A140-I145 HydrophobicContact CB-CG1 3.81Å; A140-I145 WeakPolarHBondContact O-CD1 3.43Å; S141-I145 WeakPolarHBondContact O-CG1 3.48Å; S141-I145 PolarHBondContact O-N 3.28Å; I145-H147 PolarHBondContact O-N 2.96Å; I145-Q148 PolarHBondContact O-N 3.37Å; I145-I149 HydrophobicContact CG2-CD1 3.65Å; I145-I149 HydrophobicContact CG2-CG1 4.28Å; I145-I149 WeakPolarHBondContact O-CG1 3.16Å; I145-I149 PolarHBondContact O-N 2.74Å; I145-I185 HydrophobicContact CB-CD1 4.12Å; I145-I185 HydrophobicContact CB-CG1 4.12Å; I145-I185 HydrophobicContact CB-CG2 4.47Å; I145-I185 HydrophobicContact CD1-CD1 3.93Å; I145-I185 HydrophobicContact CG2-CD1 3.64Å; I145-I185 HydrophobicContact CG2-CG1 3.96Å; I145-I185 HydrophobicContact CG2-CG2 3.76Å |
| 146 | G | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P142 E143 I149 A150 | P142-G146 WeakPolarHBondContact O-CA 3.35Å; P142-G146 PolarHBondContact O-N 3.02Å; E143-G146 PolarHBondContact O-N 2.99Å; G146-I149 PolarHBondContact O-N 3.31Å; G146-A150 VanDerWaalsContact O-CB 3.3Å; G146-A150 WeakPolarHBondContact O-CB 3.42Å; G146-A150 PolarHBondContact O-N 3.45Å |
| 147 | H | 98 | Very high | 96.7 | Very high | 102 Ų | 102 | 51.7 Ų | 51.7 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 174.5 | -175.7 | 87.6 | 0 | 0 | 0 | 112.6 | E143 I145 A150 T151 L192 | E143-H147 VanDerWaalsContact O-CB 3.27Å; E143-H147 WeakPolarHBondContact O-CB 3.42Å; E143-H147 PolarHBondContact O-N 3.32Å; I145-H147 PolarHBondContact O-N 2.96Å; H147-A150 PolarHBondContact O-N 2.87Å; H147-T151 WeakPolarHBondContact O-CG2 3.43Å; H147-T151 PolarHBondContact O-N 2.99Å; H147-T151 PolarHBondContact O-OG1 2.92Å; H147-L192 HydrophobicContact CB-CD1 3.72Å |
| 148 | Q | 98.1 | Very high | 96.8 | Very high | 26 Ų | 26 | 53.2 Ų | 53.2 | 12% | 0.121 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 174.5 | -171.8 | 172.1 | -4.4 | 0 | 0 | 110.3 | P61 V144 I145 A150 T151 R152 | P61-Q148 PolarHBondContact O-NE2 3.24Å; V144-Q148 PolarHBondContact O-N 3.18Å; I145-Q148 PolarHBondContact O-N 3.37Å; Q148-A150 VanDerWaalsContact C-N 3.35Å; Q148-A150 PolarHBondContact O-N 3.14Å; Q148-T151 PolarHBondContact O-N 3.07Å; Q148-T151 PolarHBondContact O-OG1 3.44Å; Q148-R152 HydrophobicContact CG-CG 3.92Å; Q148-R152 WeakPolarHBondContact O-CB 3.48Å; Q148-R152 WeakPolarHBondContact O-CG 3.49Å; Q148-R152 PolarHBondContact O-N 3.44Å |
| 149 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.7 | -38.8 | -179.6 | -70.6 | 173 | 0 | 0 | 0 | 112.5 | F47 R63 I145 G146 T151 N159 L160 L163 I185 | F47-I149 HydrophobicContact CD1-CD1 3.58Å; F47-I149 HydrophobicContact CE1-CD1 3.87Å; F47-I149 HydrophobicContact CG-CD1 4.26Å; R63-I149 HydrophobicContact CB-CD1 4.3Å; R63-I149 HydrophobicContact CB-CG1 4.03Å; I145-I149 HydrophobicContact CG2-CD1 3.65Å; I145-I149 HydrophobicContact CG2-CG1 4.28Å; I145-I149 WeakPolarHBondContact O-CG1 3.16Å; I145-I149 PolarHBondContact O-N 2.74Å; G146-I149 PolarHBondContact O-N 3.31Å; I149-T151 VanDerWaalsContact C-N 3.28Å; I149-T151 PolarHBondContact O-N 3.06Å; I149-N159 HydrophobicContact CG2-CB 4.2Å; I149-N159 WeakPolarHBondContact O-CB 3.41Å; I149-L160 HydrophobicContact CG2-CB 4.47Å; I149-L160 HydrophobicContact CG2-CD1 4.46Å; I149-L160 PolarHBondContact O-N 3.08Å; I149-L163 HydrophobicContact CB-CD2 4.44Å; I149-L163 HydrophobicContact CD1-CD2 4.16Å; I149-L163 HydrophobicContact CG2-CB 3.89Å; I149-L163 HydrophobicContact CG2-CD2 3.72Å; I149-L163 HydrophobicContact CG2-CG 4.48Å; I149-I185 HydrophobicContact CD1-CG2 3.71Å |
| 150 | A | 97.5 | Very high | 96.9 | Very high | 10 Ų | 10 | 50 Ų | 50 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.7 | -27.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G146 H147 Q148 A189 L192 L196 | G146-A150 VanDerWaalsContact O-CB 3.3Å; G146-A150 WeakPolarHBondContact O-CB 3.42Å; G146-A150 PolarHBondContact O-N 3.45Å; H147-A150 PolarHBondContact O-N 2.87Å; Q148-A150 VanDerWaalsContact C-N 3.35Å; Q148-A150 PolarHBondContact O-N 3.14Å; A150-A189 HydrophobicContact CB-CB 4.39Å; A150-L192 HydrophobicContact CB-CB 4.28Å; A150-L192 HydrophobicContact CB-CD1 4.2Å; A150-L196 HydrophobicContact CB-CD1 3.94Å |
| 151 | T | 96.4 | Very high | 96.9 | Very high | 50 Ų | 50 | 51.4 Ų | 51.4 | 31% | 0.307 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -105.5 | -1.7 | -171.7 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | H147 Q148 I149 L196 | H147-T151 WeakPolarHBondContact O-CG2 3.43Å; H147-T151 PolarHBondContact O-N 2.99Å; H147-T151 PolarHBondContact O-OG1 2.92Å; Q148-T151 PolarHBondContact O-N 3.07Å; Q148-T151 PolarHBondContact O-OG1 3.44Å; I149-T151 VanDerWaalsContact C-N 3.28Å; I149-T151 PolarHBondContact O-N 3.06Å; T151-L196 HydrophobicContact CG2-CD1 4.2Å; T151-L196 HydrophobicContact CG2-CD2 4.07Å |
| 152 | R | 96.8 | Very high | 96.9 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 21% | 0.211 | 25% | 0.252 | C | S | . | . | trans | -107.4 | 145.8 | -172.9 | -60.9 | -76.1 | -176.1 | -113.8 | 1.4 | 112.2 | R55 L60 P61 Q148 N159 | R55-R152 CarbonylContact O-C 3.56Å; L60-R152 WeakPolarHBondContact O-CD 3.35Å; P61-R152 WeakPolarHBondContact O-CD 3.3Å; P61-R152 PolarHBondContact O-NE 2.85Å; Q148-R152 HydrophobicContact CG-CG 3.92Å; Q148-R152 WeakPolarHBondContact O-CB 3.48Å; Q148-R152 WeakPolarHBondContact O-CG 3.49Å; Q148-R152 PolarHBondContact O-N 3.44Å; R152-N159 HydrophobicContact CB-CB 4.07Å; R152-N159 PolarHBondContact O-N 2.82Å | ||
| 153 | Q | 96.4 | Very high | 96.9 | Very high | 107 Ų | 107 | 47.8 Ų | 47.8 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 140.4 | 177.8 | 179.3 | 178.7 | -8.7 | 0 | 0 | 109.3 | R55 G56 H158 | R55-Q153 CarbonylContact O-C 3.54Å; R55-Q153 VanDerWaalsContact O-C 3.31Å; R55-Q153 WeakPolarHBondContact O-CA 3.42Å; R55-Q153 PolarHBondContact O-N 3Å; G56-Q153 CarbonylContact C-O 3.27Å; G56-Q153 WeakPolarHBondContact CA-O 3.24Å; Q153-H158 PolarHBondContact OE1-CE1 2.71Å; Q153-H158 PolarHBondContact OE1-NE2 2.81Å |
| 154 | G | 94.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 45 Ų | 45 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | -166.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | H54 R55 G56 T156 G157 | H54-G154 CarbonylContact O-C 3.52Å; H54-G154 VanDerWaalsContact O-C 3.27Å; H54-G154 WeakPolarHBondContact O-CA 3.06Å; R55-G154 VanDerWaalsContact C-N 3.32Å; R55-G154 PolarHBondContact O-N 2.95Å; G56-G154 WeakPolarHBondContact O-CA 3.46Å; G154-T156 PolarHBondContact O-N 2.79Å; G154-T156 VanDerWaalsContact O-N 3.12Å; G154-G157 PolarHBondContact N-O 3.28Å; G154-G157 VanDerWaalsContact N-O 3.11Å; G154-G157 PolarHBondContact O-N 3Å |
| 155 | K | 92.7 | Very high | 96.9 | Very high | 165 Ų | 165 | 46.6 Ų | 46.6 | 72% | 0.717 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.7 | -177.3 | -173.9 | 179.2 | -178.9 | 177.5 | 0 | 113.7 | F53 H54 | F53-K155 HydrophobicContact CE1-CD 3.81Å; F53-K155 HydrophobicContact CE2-CD 3.91Å; F53-K155 HydrophobicContact CZ-CD 3.38Å; F53-K155 WeakPolarHBondContact O-CB 3.42Å; F53-K155 PolarHBondContact O-N 3.29Å; H54-K155 PolarHBondContact O-N 3.48Å |
| 156 | T | 90.4 | Very high | 96.9 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 8.9 | -176 | -48.1 | 0 | 0 | 0 | 0 | 112.3 | H54 R55 G154 | H54-T156 PolarHBondContact ND1-OG1 2.65Å; H54-T156 WeakPolarHBondContact O-CA 3.25Å; H54-T156 WeakPolarHBondContact O-CB 3.41Å; H54-T156 PolarHBondContact O-N 3.23Å; R55-T156 PolarHBondContact NH1-O 2.91Å; G154-T156 PolarHBondContact O-N 2.79Å; G154-T156 VanDerWaalsContact O-N 3.12Å |
| 157 | G | 93.8 | Very high | 96.9 | Very high | 19 Ų | 19 | 46.6 Ų | 46.6 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 112.7 | -171.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G154 | G154-G157 PolarHBondContact N-O 3.28Å; G154-G157 VanDerWaalsContact N-O 3.11Å; G154-G157 PolarHBondContact O-N 3Å |
| 158 | H | 96.9 | Very high | 96.9 | Very high | 98 Ų | 98 | 45 Ų | 45 | 45% | 0.454 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 144.8 | -178.4 | -75.6 | -78.4 | 0 | 0 | 0 | 111.8 | R55 Q153 L160 E161 | R55-H158 PolarHBondContact NH1-O 2.87Å; Q153-H158 PolarHBondContact OE1-CE1 2.71Å; Q153-H158 PolarHBondContact OE1-NE2 2.81Å; H158-L160 PolarHBondContact O-N 2.81Å; H158-E161 WeakPolarHBondContact O-CB 3.35Å; H158-E161 PolarHBondContact O-N 2.88Å |
| 159 | N | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.9 | -32.3 | 173 | -163 | 168.6 | 0 | 0 | 0 | 111.4 | R55 G62 R63 I149 R152 E161 Y162 L163 | R55-N159 HydrophobicContact CB-CB 4.02Å; G62-N159 WeakPolarHBondContact CA-OD1 3.26Å; R63-N159 PolarHBondContact N-OD1 2.96Å; R63-N159 PolarHBondContact O-ND2 2.87Å; R63-N159 PolarHBondContact O-OD1 3.23Å; I149-N159 HydrophobicContact CG2-CB 4.2Å; I149-N159 WeakPolarHBondContact O-CB 3.41Å; R152-N159 HydrophobicContact CB-CB 4.07Å; R152-N159 PolarHBondContact O-N 2.82Å; N159-E161 PolarHBondContact O-N 3.17Å; N159-Y162 VanDerWaalsContact O-CB 3.27Å; N159-Y162 WeakPolarHBondContact O-CB 3.45Å; N159-Y162 PolarHBondContact O-N 2.71Å; N159-L163 PolarHBondContact O-N 2.7Å |
| 160 | L | 98.1 | Very high | 96.9 | Very high | 31 Ų | 31 | 44.8 Ų | 44.8 | 16% | 0.162 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.6 | -38.8 | 174.9 | -174.9 | 60.6 | 0 | 0 | 0 | 112.5 | I149 H158 Y162 L163 L164 A189 V193 | I149-L160 HydrophobicContact CG2-CB 4.47Å; I149-L160 HydrophobicContact CG2-CD1 4.46Å; I149-L160 PolarHBondContact O-N 3.08Å; H158-L160 PolarHBondContact O-N 2.81Å; L160-Y162 VanDerWaalsContact C-N 3.3Å; L160-Y162 PolarHBondContact O-N 3.23Å; L160-L163 HydrophobicContact CD1-CD2 4.33Å; L160-L163 PolarHBondContact O-N 2.78Å; L160-L164 HydrophobicContact CD1-CD1 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.21Å; L160-L164 HydrophobicContact CG-CD1 3.96Å; L160-L164 HydrophobicContact CG-CG 4.27Å; L160-L164 WeakPolarHBondContact O-CG 2.86Å; L160-L164 PolarHBondContact O-N 3.02Å; L160-A189 HydrophobicContact CD1-CB 3.91Å; L160-V193 HydrophobicContact CD2-CG2 3.83Å |
| 161 | E | 98 | Very high | 97 | Very high | 65 Ų | 65 | 49.6 Ų | 49.6 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.7 | -39.7 | 176.7 | -170.4 | -156.1 | -179.6 | 0 | 0 | 111.9 | R55 H158 N159 L164 R165 | R55-E161 IonicContact CZ-OE2 3.42Å; R55-E161 IonicContact NH1-OE2 2.7Å; R55-E161 PolarHBondContact NH1-OE2 2.92Å; R55-E161 IonicContact NH2-OE2 3.29Å; H158-E161 WeakPolarHBondContact O-CB 3.35Å; H158-E161 PolarHBondContact O-N 2.88Å; N159-E161 PolarHBondContact O-N 3.17Å; E161-L164 PolarHBondContact O-N 3.49Å; E161-R165 HydrophobicContact CG-CG 4.41Å; E161-R165 WeakPolarHBondContact O-CB 3.24Å; E161-R165 VanDerWaalsContact O-CG 3.27Å; E161-R165 WeakPolarHBondContact O-CG 3.32Å; E161-R165 PolarHBondContact O-N 3.44Å; E161-R165 IonicContact OE1-CZ 2.98Å; E161-R165 VanDerWaalsContact OE1-CZ 3.22Å; E161-R165 IonicContact OE1-NE 3.45Å; E161-R165 PolarHBondContact OE1-NE 2.9Å; E161-R165 IonicContact OE1-NH2 3.8Å; E161-R165 PolarHBondContact OE1-NH2 3.3Å |
| 162 | Y | 98.1 | Very high | 97 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 176.7 | 179.6 | -79.5 | 0 | 0 | 0 | 111.3 | W26 F47 R55 V64 V65 N159 L160 L166 | W26-Y162 HydrophobicContact CH2-CD1 4.31Å; W26-Y162 AromaticContact CH2-CD2 3.5Å; W26-Y162 HydrophobicContact CH2-CD2 3.5Å; W26-Y162 VanDerWaalsContact CH2-CD2 3.5Å; W26-Y162 HydrophobicContact CH2-CE1 4.47Å; W26-Y162 AromaticContact CH2-CE2 3.72Å; W26-Y162 HydrophobicContact CH2-CE2 3.72Å; W26-Y162 AromaticContact CH2-CG 3.82Å; W26-Y162 HydrophobicContact CH2-CG 3.82Å; W26-Y162 AromaticContact CZ2-CD2 3.81Å; W26-Y162 HydrophobicContact CZ2-CD2 3.81Å; W26-Y162 HydrophobicContact CZ2-CE2 4.28Å; W26-Y162 HydrophobicContact CZ2-CG 4.31Å; F47-Y162 AromaticContact CE1-CD1 3.88Å; F47-Y162 HydrophobicContact CE1-CD1 3.88Å; F47-Y162 AromaticContact CE1-CE1 3.79Å; F47-Y162 HydrophobicContact CE1-CE1 3.79Å; F47-Y162 HydrophobicContact CZ-CD1 4.48Å; F47-Y162 HydrophobicContact CZ-CE1 4.29Å; R55-Y162 HydrophobicContact CG-CD2 4.32Å; V64-Y162 HydrophobicContact CB-CE1 4.16Å; V64-Y162 HydrophobicContact CB-CE2 4.17Å; V64-Y162 HydrophobicContact CG1-CD2 4.15Å; V64-Y162 HydrophobicContact CG1-CE1 4.29Å; V64-Y162 HydrophobicContact CG1-CE2 3.87Å; V64-Y162 HydrophobicContact CG1-CG 4.46Å; V65-Y162 HydrophobicContact CG1-CE1 4.44Å; V65-Y162 HydrophobicContact CG2-CE1 4.43Å; V65-Y162 WeakPolarHBondContact CG2-OH 3.43Å; V65-Y162 PolarHBondContact N-OH 3.43Å; N159-Y162 VanDerWaalsContact O-CB 3.27Å; N159-Y162 WeakPolarHBondContact O-CB 3.45Å; N159-Y162 PolarHBondContact O-N 2.71Å; L160-Y162 VanDerWaalsContact C-N 3.3Å; L160-Y162 PolarHBondContact O-N 3.23Å; Y162-L166 PolarHBondContact O-N 2.61Å; Y162-L166 VanDerWaalsContact O-N 3.14Å |
| 163 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.3 | -49.9 | 179.5 | 172.4 | 62.6 | 0 | 0 | 0 | 111 | F47 I149 N159 L160 R165 L166 A167 L182 I185 E186 A189 | F47-L163 HydrophobicContact CE1-CB 4.5Å; F47-L163 HydrophobicContact CE1-CD1 4.04Å; F47-L163 HydrophobicContact CE2-CD1 3.96Å; F47-L163 HydrophobicContact CZ-CD1 3.45Å; F47-L163 VanDerWaalsContact CZ-CD1 3.45Å; I149-L163 HydrophobicContact CB-CD2 4.44Å; I149-L163 HydrophobicContact CD1-CD2 4.16Å; I149-L163 HydrophobicContact CG2-CB 3.89Å; I149-L163 HydrophobicContact CG2-CD2 3.72Å; I149-L163 HydrophobicContact CG2-CG 4.48Å; N159-L163 PolarHBondContact O-N 2.7Å; L160-L163 HydrophobicContact CD1-CD2 4.33Å; L160-L163 PolarHBondContact O-N 2.78Å; L163-R165 PolarHBondContact O-N 3.35Å; L163-L166 PolarHBondContact O-N 3.43Å; L163-A167 WeakPolarHBondContact O-CB 3.49Å; L163-A167 PolarHBondContact O-N 3.41Å; L163-L182 HydrophobicContact CD1-CD1 3.61Å; L163-I185 HydrophobicContact CD1-CG2 3.95Å; L163-I185 HydrophobicContact CD2-CG2 3.8Å; L163-E186 HydrophobicContact CD1-CB 4.4Å; L163-E186 HydrophobicContact CD2-CB 4.45Å; L163-E186 HydrophobicContact CG-CB 4.41Å; L163-A189 HydrophobicContact CD2-CB 3.72Å |
| 164 | L | 98.4 | Very high | 97 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 31% | 0.314 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.1 | -37.9 | -178 | -65.2 | 177.9 | 0 | 0 | 0 | 112.5 | L160 E161 A167 E168 E186 L190 | L160-L164 HydrophobicContact CD1-CD1 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.21Å; L160-L164 HydrophobicContact CG-CD1 3.96Å; L160-L164 HydrophobicContact CG-CG 4.27Å; L160-L164 WeakPolarHBondContact O-CG 2.86Å; L160-L164 PolarHBondContact O-N 3.02Å; E161-L164 PolarHBondContact O-N 3.49Å; L164-A167 PolarHBondContact O-N 3.15Å; L164-E168 VanDerWaalsContact O-CB 3.29Å; L164-E168 WeakPolarHBondContact O-CB 3.44Å; L164-E168 PolarHBondContact O-N 2.76Å; L164-E186 HydrophobicContact CD2-CG 3.96Å; L164-L190 HydrophobicContact CD2-CD1 4.31Å; L164-L190 HydrophobicContact CD2-CD2 4.07Å; L164-L190 HydrophobicContact CD2-CG 4.35Å |
| 165 | R | 98.5 | Very high | 97.1 | Very high | 115 Ų | 115 | 54.5 Ų | 54.5 | 43% | 0.434 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 175.8 | -73.9 | -176.8 | -178.7 | -83.6 | 0.6 | 112.6 | W26 E161 L163 F169 | W26-R165 VanDerWaalsContact CD1-CD 3.49Å; W26-R165 HydrophobicContact CD2-CB 3.73Å; W26-R165 HydrophobicContact CD2-CG 4.49Å; W26-R165 HydrophobicContact CE3-CB 3.81Å; W26-R165 HydrophobicContact CG-CB 4.2Å; W26-R165 HydrophobicContact CH2-CB 4.22Å; W26-R165 HydrophobicContact CZ2-CB 4.16Å; W26-R165 HydrophobicContact CZ3-CB 4.06Å; W26-R165 VanDerWaalsContact NE1-CD 3.26Å; E161-R165 HydrophobicContact CG-CG 4.41Å; E161-R165 WeakPolarHBondContact O-CB 3.24Å; E161-R165 VanDerWaalsContact O-CG 3.27Å; E161-R165 WeakPolarHBondContact O-CG 3.32Å; E161-R165 PolarHBondContact O-N 3.44Å; E161-R165 IonicContact OE1-CZ 2.98Å; E161-R165 VanDerWaalsContact OE1-CZ 3.22Å; E161-R165 IonicContact OE1-NE 3.45Å; E161-R165 PolarHBondContact OE1-NE 2.9Å; E161-R165 IonicContact OE1-NH2 3.8Å; E161-R165 PolarHBondContact OE1-NH2 3.3Å; L163-R165 PolarHBondContact O-N 3.35Å; R165-F169 PolarHBondContact O-N 2.85Å |
| 166 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.6 | -43.5 | 175.6 | -175.4 | 58.4 | 0 | 0 | 0 | 111.5 | V25 W26 F47 V65 Y162 L163 E168 F169 M170 L182 | V25-L166 HydrophobicContact CG2-CD1 4.07Å; W26-L166 HydrophobicContact CZ3-CB 4.01Å; F47-L166 HydrophobicContact CE2-CD2 4.26Å; F47-L166 HydrophobicContact CZ-CD2 3.95Å; V65-L166 HydrophobicContact CG1-CD2 3.71Å; V65-L166 HydrophobicContact CG2-CD2 4.22Å; Y162-L166 PolarHBondContact O-N 2.61Å; Y162-L166 VanDerWaalsContact O-N 3.14Å; L163-L166 PolarHBondContact O-N 3.43Å; L166-E168 VanDerWaalsContact C-N 3.3Å; L166-E168 PolarHBondContact O-N 2.7Å; L166-F169 HydrophobicContact CD1-CD1 4.42Å; L166-F169 WeakPolarHBondContact O-CB 3.45Å; L166-F169 PolarHBondContact O-N 3.48Å; L166-M170 WeakPolarHBondContact O-CG 3.27Å; L166-M170 PolarHBondContact O-N 3.43Å; L166-L182 HydrophobicContact CB-CD1 4.37Å; L166-L182 HydrophobicContact CD2-CD1 4.06Å; L166-L182 HydrophobicContact CG-CD1 4.13Å; L166-L182 HydrophobicContact CG-CD2 4.12Å |
| 167 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.4 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L163 L164 M170 R171 L182 F183 E186 | L163-A167 WeakPolarHBondContact O-CB 3.49Å; L163-A167 PolarHBondContact O-N 3.41Å; L164-A167 PolarHBondContact O-N 3.15Å; A167-M170 PolarHBondContact O-N 2.85Å; A167-R171 WeakPolarHBondContact O-CG 3.33Å; A167-R171 PolarHBondContact O-N 3.26Å; A167-L182 HydrophobicContact CB-CD1 4.39Å; A167-L182 HydrophobicContact CB-CD2 4.43Å; A167-L182 HydrophobicContact CB-CG 4.38Å; A167-F183 HydrophobicContact CB-CE1 4.27Å; A167-E186 VanDerWaalsContact CB-CD 3.48Å; A167-E186 HydrophobicContact CB-CG 4.44Å; A167-E186 WeakPolarHBondContact CB-OE1 3.18Å; A167-E186 WeakPolarHBondContact CB-OE2 3.21Å |
| 168 | E | 98.5 | Very high | 97.5 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 177.1 | -170.8 | 65.4 | 176.6 | 0 | 0 | 112.7 | L164 L166 R171 R172 | L164-E168 VanDerWaalsContact O-CB 3.29Å; L164-E168 WeakPolarHBondContact O-CB 3.44Å; L164-E168 PolarHBondContact O-N 2.76Å; L166-E168 VanDerWaalsContact C-N 3.3Å; L166-E168 PolarHBondContact O-N 2.7Å; E168-R171 PolarHBondContact O-N 2.82Å; E168-R172 HydrophobicContact CG-CG 4.41Å; E168-R172 WeakPolarHBondContact O-CB 3.33Å; E168-R172 WeakPolarHBondContact O-CG 3.37Å; E168-R172 PolarHBondContact O-N 2.61Å; E168-R172 IonicContact OE1-CZ 2.78Å; E168-R172 IonicContact OE1-NE 2.79Å; E168-R172 PolarHBondContact OE1-NE 2.88Å; E168-R172 IonicContact OE1-NH2 3.51Å; E168-R172 PolarHBondContact OE1-NH2 3.48Å |
| 169 | F | 98.3 | Very high | 97.5 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.8 | -50.2 | 171.6 | 166.6 | -98.8 | 0 | 0 | 0 | 110.9 | V25 V37 V78 R165 L166 R171 R172 S173 | V25-F169 HydrophobicContact CB-CD1 4.04Å; V25-F169 HydrophobicContact CB-CD2 3.87Å; V25-F169 HydrophobicContact CB-CE1 4.19Å; V25-F169 HydrophobicContact CB-CE2 4.02Å; V25-F169 HydrophobicContact CB-CG 3.88Å; V25-F169 HydrophobicContact CB-CZ 4.19Å; V25-F169 HydrophobicContact CG1-CD1 4.21Å; V25-F169 HydrophobicContact CG1-CE1 4.01Å; V25-F169 HydrophobicContact CG1-CE2 4.49Å; V25-F169 HydrophobicContact CG1-CZ 4.17Å; V25-F169 HydrophobicContact CG2-CB 3.81Å; V25-F169 HydrophobicContact CG2-CD1 3.81Å; V25-F169 HydrophobicContact CG2-CD2 4.01Å; V25-F169 HydrophobicContact CG2-CE1 4.44Å; V25-F169 HydrophobicContact CG2-CG 3.57Å; V37-F169 HydrophobicContact CG2-CE2 4.45Å; V78-F169 HydrophobicContact CG2-CD2 4.44Å; V78-F169 HydrophobicContact CG2-CE2 3.41Å; V78-F169 VanDerWaalsContact CG2-CE2 3.41Å; V78-F169 HydrophobicContact CG2-CZ 3.6Å; R165-F169 PolarHBondContact O-N 2.85Å; L166-F169 HydrophobicContact CD1-CD1 4.42Å; L166-F169 WeakPolarHBondContact O-CB 3.45Å; L166-F169 PolarHBondContact O-N 3.48Å; F169-R171 PolarHBondContact O-N 3.26Å; F169-R172 PolarHBondContact O-N 2.97Å; F169-S173 WeakPolarHBondContact O-CB 3.34Å; F169-S173 PolarHBondContact O-N 2.96Å |
| 170 | M | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 179.9 | -70.1 | -57.3 | -63.4 | 0 | 0 | 112.2 | R45 W76 L166 A167 R172 C174 V177 D179 L182 F183 | R45-M170 PolarHBondContact NH2-SD 3.28Å; W76-M170 HydrophobicContact CB-CE 4.19Å; W76-M170 HydrophobicContact CB-SD 4.41Å; L166-M170 WeakPolarHBondContact O-CG 3.27Å; L166-M170 PolarHBondContact O-N 3.43Å; A167-M170 PolarHBondContact O-N 2.85Å; M170-R172 PolarHBondContact O-N 3.36Å; M170-C174 HydrophobicContact CE-CB 3.91Å; M170-C174 CarbonylContact O-C 3.39Å; M170-C174 VanDerWaalsContact O-CA 3.29Å; M170-C174 WeakPolarHBondContact O-CA 3.4Å; M170-C174 PolarHBondContact O-N 3.3Å; M170-C174 VanDerWaalsContact O-O 3.13Å; M170-C174 HydrophobicContact SD-CB 4.25Å; M170-V177 HydrophobicContact CE-CB 3.98Å; M170-V177 HydrophobicContact CE-CG1 3.74Å; M170-D179 HydrophobicContact CE-CB 4.33Å; M170-L182 HydrophobicContact CB-CD2 4.02Å; M170-L182 HydrophobicContact CG-CD2 3.48Å; M170-L182 VanDerWaalsContact CG-CD2 3.48Å; M170-F183 HydrophobicContact CB-CZ 4.05Å |
| 171 | R | 97.9 | Very high | 97.5 | Very high | 111 Ų | 111 | 55.9 Ų | 55.9 | 42% | 0.419 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.4 | -73 | -177 | -176 | 105.1 | 4.4 | 113.7 | A167 E168 F169 F183 E186 | A167-R171 WeakPolarHBondContact O-CG 3.33Å; A167-R171 PolarHBondContact O-N 3.26Å; E168-R171 PolarHBondContact O-N 2.82Å; F169-R171 PolarHBondContact O-N 3.26Å; R171-F183 HydrophobicContact CG-CE1 3.93Å; R171-F183 HydrophobicContact CG-CZ 4.02Å; R171-E186 IonicContact CZ-OE1 3.22Å; R171-E186 IonicContact CZ-OE2 3.01Å; R171-E186 IonicContact NH1-OE1 3.63Å; R171-E186 PolarHBondContact NH1-OE1 3.43Å; R171-E186 IonicContact NH1-OE2 2.61Å; R171-E186 PolarHBondContact NH1-OE2 3.08Å; R171-E186 IonicContact NH2-OE1 2.77Å; R171-E186 PolarHBondContact NH2-OE1 2.83Å; R171-E186 VanDerWaalsContact NH2-OE1 3.15Å; R171-E186 IonicContact NH2-OE2 2.7Å; R171-E186 PolarHBondContact NH2-OE2 3.36Å |
| 172 | R | 97.4 | Very high | 97.5 | Very high | 187 Ų | 187 | 52.9 Ų | 52.9 | 71% | 0.706 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -85.4 | -43.5 | -173.2 | -71.3 | -170.2 | -178.7 | -171.1 | 8.3 | 113.1 | E168 F169 M170 | E168-R172 HydrophobicContact CG-CG 4.41Å; E168-R172 WeakPolarHBondContact O-CB 3.33Å; E168-R172 WeakPolarHBondContact O-CG 3.37Å; E168-R172 PolarHBondContact O-N 2.61Å; E168-R172 IonicContact OE1-CZ 2.78Å; E168-R172 IonicContact OE1-NE 2.79Å; E168-R172 PolarHBondContact OE1-NE 2.88Å; E168-R172 IonicContact OE1-NH2 3.51Å; E168-R172 PolarHBondContact OE1-NH2 3.48Å; F169-R172 PolarHBondContact O-N 2.97Å; M170-R172 PolarHBondContact O-N 3.36Å |
| 173 | S | 96.9 | Very high | 97.5 | Very high | 43 Ų | 43 | 54.7 Ų | 54.7 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -99.5 | -19.8 | -171.3 | -62.2 | 0 | 0 | 0 | 0 | 112.7 | F169 P175 | F169-S173 WeakPolarHBondContact O-CB 3.34Å; F169-S173 PolarHBondContact O-N 2.96Å; S173-P175 VanDerWaalsContact C-CD 3.46Å |
| 174 | C | 96.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -134.6 | 49.5 | -178.9 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | W76 M170 H176 V177 | W76-C174 HydrophobicContact CE3-CB 4.37Å; M170-C174 HydrophobicContact CE-CB 3.91Å; M170-C174 CarbonylContact O-C 3.39Å; M170-C174 VanDerWaalsContact O-CA 3.29Å; M170-C174 WeakPolarHBondContact O-CA 3.4Å; M170-C174 PolarHBondContact O-N 3.3Å; M170-C174 VanDerWaalsContact O-O 3.13Å; M170-C174 HydrophobicContact SD-CB 4.25Å; C174-H176 PolarHBondContact O-N 3.44Å; C174-V177 HydrophobicContact CB-CB 4.05Å; C174-V177 HydrophobicContact CB-CG2 3.77Å; C174-V177 WeakPolarHBondContact O-CB 3.29Å; C174-V177 PolarHBondContact O-N 3.29Å | ||
| 175 | P | 96.4 | Very high | 97.5 | Very high | 99 Ų | 99 | 54 Ų | 54 | 64% | 0.643 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.6 | -171 | 26.9 | -36.4 | 0 | 0 | 0 | 114.3 | S173 | S173-P175 VanDerWaalsContact C-CD 3.46Š|
| 176 | H | 95.4 | Very high | 97.5 | Very high | 108 Ų | 108 | 49 Ų | 49 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -2.2 | 179.1 | 64.5 | -85.3 | 0 | 0 | 0 | 112.9 | W76 E114 C174 | W76-H176 AromaticContact CE2-NE2 3.95Å; W76-H176 AromaticContact CH2-CE1 3.5Å; W76-H176 VanDerWaalsContact CH2-CE1 3.5Å; W76-H176 WeakPolarHBondContact CH2-CE1 3.41Å; W76-H176 AromaticContact CH2-NE2 3.05Å; W76-H176 WeakPolarHBondContact CH2-NE2 3.3Å; W76-H176 AromaticContact CZ2-NE2 3.2Å; W76-H176 WeakPolarHBondContact CZ2-NE2 3.27Å; W76-H176 AromaticContact CZ3-CE1 3.75Å; W76-H176 AromaticContact CZ3-NE2 3.73Å; E114-H176 IonicContact OE1-CE1 2.73Å; E114-H176 PolarHBondContact OE1-CE1 3.05Å; E114-H176 IonicContact OE1-ND1 2.97Å; E114-H176 PolarHBondContact OE1-ND1 3.3Å; C174-H176 PolarHBondContact O-N 3.44Å |
| 177 | V | 95.4 | Very high | 97.5 | Very high | 30 Ų | 30 | 52 Ų | 52 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | trans | -102.9 | 125.5 | -176.9 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | W76 M170 C174 | W76-V177 VanDerWaalsContact CD1-CG1 3.46Å; W76-V177 HydrophobicContact CD2-CG2 3.53Å; W76-V177 HydrophobicContact CE3-CG2 4.19Å; W76-V177 HydrophobicContact CG-CB 4.4Å; W76-V177 HydrophobicContact CG-CG1 4Å; W76-V177 HydrophobicContact CG-CG2 3.68Å; W76-V177 HydrophobicContact CZ2-CG2 3.92Å; M170-V177 HydrophobicContact CE-CB 3.98Å; M170-V177 HydrophobicContact CE-CG1 3.74Å; C174-V177 HydrophobicContact CB-CB 4.05Å; C174-V177 HydrophobicContact CB-CG2 3.77Å; C174-V177 WeakPolarHBondContact O-CB 3.29Å; C174-V177 PolarHBondContact O-N 3.29Å | ||
| 178 | D | 94.6 | Very high | 97.5 | Very high | 128 Ų | 128 | 52.9 Ų | 52.9 | 68% | 0.684 | 28% | 0.279 | S | S | * | . | trans | -86.5 | 127.2 | 170.8 | -168 | 17 | 0 | 0 | 0 | 110.7 | ||||
| 179 | D | 96.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | trans | -126.8 | 77.4 | 172 | -170 | -19.5 | 0 | 0 | 0 | 108.9 | R45 M170 H181 L182 F183 | R45-D179 IonicContact CZ-OD2 3.41Å; R45-D179 IonicContact NE-OD2 3.15Å; R45-D179 PolarHBondContact NE-OD2 3.32Å; R45-D179 IonicContact NH2-OD2 3.41Å; R45-D179 PolarHBondContact NH2-OD2 2.77Å; M170-D179 HydrophobicContact CE-CB 4.33Å; D179-H181 PolarHBondContact O-N 3.27Å; D179-H181 PolarHBondContact OD1-N 3.38Å; D179-L182 HydrophobicContact CB-CB 4Å; D179-L182 HydrophobicContact CB-CD2 4.5Å; D179-L182 PolarHBondContact O-N 3.37Å; D179-L182 VanDerWaalsContact O-N 3.16Å; D179-L182 WeakPolarHBondContact OD1-CB 3.27Å; D179-L182 PolarHBondContact OD1-N 3.36Å; D179-L182 WeakPolarHBondContact OD2-CB 3.44Å; D179-F183 HydrophobicContact CB-CD2 4.42Å; D179-F183 HydrophobicContact CB-CE2 4.36Å; D179-F183 WeakPolarHBondContact O-CD2 3.44Å; D179-F183 PolarHBondContact O-N 3.23Å | ||
| 180 | P | 97.6 | Very high | 97.5 | Very high | 83 Ų | 83 | 52.3 Ų | 52.3 | 54% | 0.539 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.4 | -27.3 | -174.7 | 24 | -34.2 | 0 | 0 | 0 | 112.1 | S184 | P180-S184 WeakPolarHBondContact O-CB 3.39Å; P180-S184 PolarHBondContact O-N 3.39Å; P180-S184 PolarHBondContact O-OG 3.07Å |
| 181 | H | 98.4 | Very high | 97.4 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 13% | 0.13 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.6 | -49.7 | 175.7 | -177.6 | 80.3 | 0 | 0 | 0 | 110.8 | R46 F47 W48 D179 S184 I185 | R46-H181 WeakPolarHBondContact CD-ND1 3.25Å; F47-H181 AromaticContact CD2-CD2 3.9Å; F47-H181 AromaticContact CD2-NE2 3.75Å; F47-H181 PolarHBondContact N-NE2 3.34Å; F47-H181 VanDerWaalsContact N-NE2 3.19Å; W48-H181 AromaticContact NE1-CE1 3.77Å; D179-H181 PolarHBondContact O-N 3.27Å; D179-H181 PolarHBondContact OD1-N 3.38Å; H181-S184 PolarHBondContact O-OG 2.8Å; H181-I185 VanDerWaalsContact CE1-CD1 3.48Å; H181-I185 WeakPolarHBondContact CE1-CD1 2.85Å; H181-I185 WeakPolarHBondContact NE2-CD1 3.33Å; H181-I185 VanDerWaalsContact O-CD1 3.31Å; H181-I185 WeakPolarHBondContact O-CD1 3.38Å; H181-I185 VanDerWaalsContact O-CG1 3.3Å; H181-I185 WeakPolarHBondContact O-CG1 3.39Å; H181-I185 PolarHBondContact O-N 2.9Å |
| 182 | L | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.5 | -50.7 | 177.8 | 174.9 | 62.3 | 0 | 0 | 0 | 112 | F47 L163 L166 A167 M170 D179 I185 E186 | F47-L182 HydrophobicContact CE2-CD1 3.55Å; F47-L182 HydrophobicContact CZ-CD1 3.79Å; L163-L182 HydrophobicContact CD1-CD1 3.61Å; L166-L182 HydrophobicContact CB-CD1 4.37Å; L166-L182 HydrophobicContact CD2-CD1 4.06Å; L166-L182 HydrophobicContact CG-CD1 4.13Å; L166-L182 HydrophobicContact CG-CD2 4.12Å; A167-L182 HydrophobicContact CB-CD1 4.39Å; A167-L182 HydrophobicContact CB-CD2 4.43Å; A167-L182 HydrophobicContact CB-CG 4.38Å; M170-L182 HydrophobicContact CB-CD2 4.02Å; M170-L182 HydrophobicContact CG-CD2 3.48Å; M170-L182 VanDerWaalsContact CG-CD2 3.48Å; D179-L182 HydrophobicContact CB-CB 4Å; D179-L182 HydrophobicContact CB-CD2 4.5Å; D179-L182 PolarHBondContact O-N 3.37Å; D179-L182 VanDerWaalsContact O-N 3.16Å; D179-L182 WeakPolarHBondContact OD1-CB 3.27Å; D179-L182 PolarHBondContact OD1-N 3.36Å; D179-L182 WeakPolarHBondContact OD2-CB 3.44Å; L182-I185 PolarHBondContact O-N 3.39Å; L182-E186 PolarHBondContact O-N 3.34Å |
| 183 | F | 98.6 | Very high | 96.9 | Very high | 52 Ų | 52 | 45.1 Ų | 45.1 | 23% | 0.228 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.4 | -31.1 | -172.4 | -67.9 | -57.7 | 0 | 0 | 0 | 113.3 | A167 M170 R171 D179 E186 A187 | A167-F183 HydrophobicContact CB-CE1 4.27Å; M170-F183 HydrophobicContact CB-CZ 4.05Å; R171-F183 HydrophobicContact CG-CE1 3.93Å; R171-F183 HydrophobicContact CG-CZ 4.02Å; D179-F183 HydrophobicContact CB-CD2 4.42Å; D179-F183 HydrophobicContact CB-CE2 4.36Å; D179-F183 WeakPolarHBondContact O-CD2 3.44Å; D179-F183 PolarHBondContact O-N 3.23Å; F183-E186 WeakPolarHBondContact CD1-OE2 3.14Å; F183-E186 PolarHBondContact O-N 3.36Å; F183-A187 WeakPolarHBondContact O-CB 3.44Å; F183-A187 PolarHBondContact O-N 2.85Å |
| 184 | S | 98.6 | Very high | 96.6 | Very high | 45 Ų | 45 | 47.2 Ų | 47.2 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 172.5 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | P180 H181 A187 A188 | P180-S184 WeakPolarHBondContact O-CB 3.39Å; P180-S184 PolarHBondContact O-N 3.39Å; P180-S184 PolarHBondContact O-OG 3.07Å; H181-S184 PolarHBondContact O-OG 2.8Å; S184-A187 PolarHBondContact O-N 2.78Å; S184-A188 WeakPolarHBondContact O-CB 3.35Å; S184-A188 PolarHBondContact O-N 3.42Å |
| 185 | I | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 175.4 | -70.7 | 166.9 | 0 | 0 | 0 | 111 | F47 P142 I145 I149 L163 H181 L182 A188 A189 | F47-I185 HydrophobicContact CB-CD1 3.94Å; F47-I185 HydrophobicContact CD2-CD1 3.73Å; F47-I185 HydrophobicContact CG-CD1 4.06Å; P142-I185 HydrophobicContact CB-CG1 4.12Å; I145-I185 HydrophobicContact CB-CD1 4.12Å; I145-I185 HydrophobicContact CB-CG1 4.12Å; I145-I185 HydrophobicContact CB-CG2 4.47Å; I145-I185 HydrophobicContact CD1-CD1 3.93Å; I145-I185 HydrophobicContact CG2-CD1 3.64Å; I145-I185 HydrophobicContact CG2-CG1 3.96Å; I145-I185 HydrophobicContact CG2-CG2 3.76Å; I149-I185 HydrophobicContact CD1-CG2 3.71Å; L163-I185 HydrophobicContact CD1-CG2 3.95Å; L163-I185 HydrophobicContact CD2-CG2 3.8Å; H181-I185 VanDerWaalsContact CE1-CD1 3.48Å; H181-I185 WeakPolarHBondContact CE1-CD1 2.85Å; H181-I185 WeakPolarHBondContact NE2-CD1 3.33Å; H181-I185 VanDerWaalsContact O-CD1 3.31Å; H181-I185 WeakPolarHBondContact O-CD1 3.38Å; H181-I185 VanDerWaalsContact O-CG1 3.3Å; H181-I185 WeakPolarHBondContact O-CG1 3.39Å; H181-I185 PolarHBondContact O-N 2.9Å; L182-I185 PolarHBondContact O-N 3.39Å; I185-A188 PolarHBondContact O-N 3.22Å; I185-A189 WeakPolarHBondContact O-CB 3.43Å; I185-A189 PolarHBondContact O-N 2.79Å |
| 186 | E | 98.6 | Very high | 95.6 | Very high | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.047 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 175.3 | -172.5 | -173.1 | -162.2 | 0 | 0 | 112.1 | L163 L164 A167 R171 L182 F183 A188 A189 L190 | L163-E186 HydrophobicContact CD1-CB 4.4Å; L163-E186 HydrophobicContact CD2-CB 4.45Å; L163-E186 HydrophobicContact CG-CB 4.41Å; L164-E186 HydrophobicContact CD2-CG 3.96Å; A167-E186 VanDerWaalsContact CB-CD 3.48Å; A167-E186 HydrophobicContact CB-CG 4.44Å; A167-E186 WeakPolarHBondContact CB-OE1 3.18Å; A167-E186 WeakPolarHBondContact CB-OE2 3.21Å; R171-E186 IonicContact CZ-OE1 3.22Å; R171-E186 IonicContact CZ-OE2 3.01Å; R171-E186 IonicContact NH1-OE1 3.63Å; R171-E186 PolarHBondContact NH1-OE1 3.43Å; R171-E186 IonicContact NH1-OE2 2.61Å; R171-E186 PolarHBondContact NH1-OE2 3.08Å; R171-E186 IonicContact NH2-OE1 2.77Å; R171-E186 PolarHBondContact NH2-OE1 2.83Å; R171-E186 VanDerWaalsContact NH2-OE1 3.15Å; R171-E186 IonicContact NH2-OE2 2.7Å; R171-E186 PolarHBondContact NH2-OE2 3.36Å; L182-E186 PolarHBondContact O-N 3.34Å; F183-E186 WeakPolarHBondContact CD1-OE2 3.14Å; F183-E186 PolarHBondContact O-N 3.36Å; E186-A188 VanDerWaalsContact C-N 3.34Å; E186-A188 PolarHBondContact O-N 3.31Å; E186-A189 PolarHBondContact O-N 2.91Å; E186-L190 HydrophobicContact CG-CD1 3.89Å; E186-L190 HydrophobicContact CG-CG 4.35Å; E186-L190 WeakPolarHBondContact O-CB 3.44Å; E186-L190 WeakPolarHBondContact O-CG 3.42Å; E186-L190 PolarHBondContact O-N 3.12Å |
| 187 | A | 98.5 | Very high | 94.9 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 52% | 0.521 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F183 S184 A189 L190 A191 | F183-A187 WeakPolarHBondContact O-CB 3.44Å; F183-A187 PolarHBondContact O-N 2.85Å; S184-A187 PolarHBondContact O-N 2.78Å; A187-A189 PolarHBondContact O-N 3.49Å; A187-L190 PolarHBondContact O-N 3.12Å; A187-A191 WeakPolarHBondContact O-CB 3.34Å; A187-A191 PolarHBondContact O-N 3.14Å |
| 188 | A | 98.4 | Very high | 93.7 | Very high | 18 Ų | 18 | 56.2 Ų | 56.2 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P142 S184 I185 E186 | P142-A188 WeakPolarHBondContact O-CB 3.42Å; S184-A188 WeakPolarHBondContact O-CB 3.35Å; S184-A188 PolarHBondContact O-N 3.42Å; I185-A188 PolarHBondContact O-N 3.22Å; E186-A188 VanDerWaalsContact C-N 3.34Å; E186-A188 PolarHBondContact O-N 3.31Å |
| 189 | A | 97.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A150 L160 L163 I185 E186 A187 A191 L192 | A150-A189 HydrophobicContact CB-CB 4.39Å; L160-A189 HydrophobicContact CD1-CB 3.91Å; L163-A189 HydrophobicContact CD2-CB 3.72Å; I185-A189 WeakPolarHBondContact O-CB 3.43Å; I185-A189 PolarHBondContact O-N 2.79Å; E186-A189 PolarHBondContact O-N 2.91Å; A187-A189 PolarHBondContact O-N 3.49Å; A189-A191 VanDerWaalsContact C-N 3.35Å; A189-A191 PolarHBondContact O-N 3.21Å; A189-L192 PolarHBondContact O-N 3.1Å |
| 190 | L | 97.8 | Very high | 90.1 | Very high | 77 Ų | 77 | 64 Ų | 64 | 40% | 0.403 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.4 | -33.7 | 179.6 | -73 | 177.3 | 0 | 0 | 0 | 112.7 | L164 E186 A187 L192 V193 P194 | L164-L190 HydrophobicContact CD2-CD1 4.31Å; L164-L190 HydrophobicContact CD2-CD2 4.07Å; L164-L190 HydrophobicContact CD2-CG 4.35Å; E186-L190 HydrophobicContact CG-CD1 3.89Å; E186-L190 HydrophobicContact CG-CG 4.35Å; E186-L190 WeakPolarHBondContact O-CB 3.44Å; E186-L190 WeakPolarHBondContact O-CG 3.42Å; E186-L190 PolarHBondContact O-N 3.12Å; A187-L190 PolarHBondContact O-N 3.12Å; L190-L192 PolarHBondContact O-N 3.11Å; L190-L192 VanDerWaalsContact O-N 3.14Å; L190-V193 HydrophobicContact CD2-CG2 4.23Å; L190-V193 WeakPolarHBondContact O-CB 3.39Å; L190-V193 PolarHBondContact O-N 3.07Å; L190-V193 VanDerWaalsContact O-N 3.12Å; L190-P194 WeakPolarHBondContact O-CD 3.48Å |
| 191 | A | 97 | Very high | 89.7 | Confident | 61 Ų | 61 | 63.1 Ų | 63.1 | 50% | 0.504 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.3 | -24.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | A187 A189 Y195 | A187-A191 WeakPolarHBondContact O-CB 3.34Å; A187-A191 PolarHBondContact O-N 3.14Å; A189-A191 VanDerWaalsContact C-N 3.35Å; A189-A191 PolarHBondContact O-N 3.21Å; A191-Y195 WeakPolarHBondContact O-CD2 3.48Å; A191-Y195 WeakPolarHBondContact O-CE2 3.46Å |
| 192 | L | 94.3 | Very high | 89.2 | Confident | 49 Ų | 49 | 64.9 Ų | 64.9 | 26% | 0.257 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -86.8 | -20.8 | 179.1 | -64.3 | 170.3 | 0 | 0 | 0 | 113.6 | H147 A150 A189 L190 Y195 L196 | H147-L192 HydrophobicContact CB-CD1 3.72Å; A150-L192 HydrophobicContact CB-CB 4.28Å; A150-L192 HydrophobicContact CB-CD1 4.2Å; A189-L192 PolarHBondContact O-N 3.1Å; L190-L192 PolarHBondContact O-N 3.11Å; L190-L192 VanDerWaalsContact O-N 3.14Å; L192-Y195 PolarHBondContact O-N 3.12Å; L192-Y195 VanDerWaalsContact O-N 3.12Å; L192-L196 HydrophobicContact CB-CD1 4.44Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.28Å; L192-L196 VanDerWaalsContact O-N 3.1Å |
| 193 | V | 90.4 | Very high | 88.7 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 24% | 0.236 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.4 | -45.5 | -173.8 | 173.5 | 0 | 0 | 0 | 0 | 113 | L160 L190 Y195 L196 L197 | L160-V193 HydrophobicContact CD2-CG2 3.83Å; L190-V193 HydrophobicContact CD2-CG2 4.23Å; L190-V193 WeakPolarHBondContact O-CB 3.39Å; L190-V193 PolarHBondContact O-N 3.07Å; L190-V193 VanDerWaalsContact O-N 3.12Å; V193-Y195 VanDerWaalsContact C-N 3.27Å; V193-Y195 PolarHBondContact O-N 3.01Å; V193-L196 PolarHBondContact O-N 3.5Å; V193-L197 HydrophobicContact CG1-CD1 3.75Å; V193-L197 HydrophobicContact CG1-CG 4.2Å; V193-L197 WeakPolarHBondContact O-CG 3.46Å; V193-L197 PolarHBondContact O-N 3.29Å |
| 194 | P | 90.7 | Very high | 88.2 | Confident | 87 Ų | 87 | 69.4 Ų | 69.4 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.9 | -38.1 | 178.6 | -24.8 | 35.3 | 0 | 0 | 0 | 113.2 | L190 G198 | L190-P194 WeakPolarHBondContact O-CD 3.48Å; P194-G198 PolarHBondContact O-N 3.07Å |
| 195 | Y | 87.8 | Confident | 87.5 | Confident | 177 Ų | 177 | 70.9 Ų | 70.9 | 69% | 0.694 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71.4 | -36.7 | 179.6 | -58.2 | -80.4 | 0 | 0 | 0 | 112 | A191 L192 V193 G198 A199 | A191-Y195 WeakPolarHBondContact O-CD2 3.48Å; A191-Y195 WeakPolarHBondContact O-CE2 3.46Å; L192-Y195 PolarHBondContact O-N 3.12Å; L192-Y195 VanDerWaalsContact O-N 3.12Å; V193-Y195 VanDerWaalsContact C-N 3.27Å; V193-Y195 PolarHBondContact O-N 3.01Å; Y195-G198 PolarHBondContact O-N 3.39Å; Y195-A199 WeakPolarHBondContact O-CB 3.42Å; Y195-A199 PolarHBondContact O-N 3.12Å |
| 196 | L | 83.8 | Confident | 86.7 | Confident | 65 Ų | 65 | 75.7 Ų | 75.7 | 34% | 0.34 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.8 | -35.2 | 177.9 | -66.1 | 174.4 | 0 | 0 | 0 | 112.3 | A150 T151 L192 V193 | A150-L196 HydrophobicContact CB-CD1 3.94Å; T151-L196 HydrophobicContact CG2-CD1 4.2Å; T151-L196 HydrophobicContact CG2-CD2 4.07Å; L192-L196 HydrophobicContact CB-CD1 4.44Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 3.28Å; L192-L196 VanDerWaalsContact O-N 3.1Å; V193-L196 PolarHBondContact O-N 3.5Å |
| 197 | L | 80.8 | Confident | 85.9 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 60% | 0.597 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75.2 | -29.9 | 175.8 | -67.1 | 175.7 | 0 | 0 | 0 | 112.7 | V193 A199 | V193-L197 HydrophobicContact CG1-CD1 3.75Å; V193-L197 HydrophobicContact CG1-CG 4.2Å; V193-L197 WeakPolarHBondContact O-CG 3.46Å; V193-L197 PolarHBondContact O-N 3.29Å; L197-A199 VanDerWaalsContact C-N 3.33Å |
| 198 | G | 70.2 | Confident | 84.9 | Confident | 69 Ų | 69 | 81.7 Ų | 81.7 | 71% | 0.711 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | P194 Y195 | P194-G198 PolarHBondContact O-N 3.07Å; Y195-G198 PolarHBondContact O-N 3.39Å |
| 199 | A | 61.4 | Low | 83.8 | Confident | 85 Ų | 85 | 87 Ų | 87 | 70% | 0.702 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 2.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y195 L197 | Y195-A199 WeakPolarHBondContact O-CB 3.42Å; Y195-A199 PolarHBondContact O-N 3.12Å; L197-A199 VanDerWaalsContact C-N 3.33Å |
| 200 | Q | 53.7 | Low | 82.5 | Confident | 221 Ų | 221 | 94.9 Ų | 94.9 | 100% | 1.033 | 55% | 0.549 | S | S | * | . | trans | -97.1 | 0 | 173.5 | -66.6 | -173.5 | 5.9 | 0 | 0 | 110.8 |
Retrieved 200 of 200 residues in 175.8 ms
(Link to these results)