| 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 | 55.6 | Low | 64.4 | Low | 210 Ų | 210 | 114.5 Ų | 114.5 | 100% | 1.034 | 61% | 0.614 | S | S | * | * | 0 | -52 | 0 | -80.1 | -179.5 | -82.5 | 0 | 0 | 111.2 | L3 F4 A5 | M1-L3 PolarHBondContact O-N 3.39Å; M1-L3 VanDerWaalsContact O-N 3.15Å; M1-F4 PolarHBondContact O-N 3.36Å; M1-A5 PolarHBondContact O-N 3.4Å | |||
| 2 | E | 56.8 | Low | 64.1 | Low | 166 Ų | 166 | 113.7 Ų | 113.7 | 78% | 0.776 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -33.6 | -56.5 | 173.5 | -60.3 | -56.6 | 109.5 | 0 | 0 | 115.8 | F4 A5 G6 | E2-F4 VanDerWaalsContact C-N 3.3Å; E2-F4 PolarHBondContact O-N 3.47Å; E2-A5 PolarHBondContact O-N 3.23Å; E2-A5 VanDerWaalsContact O-N 3.12Å; E2-G6 PolarHBondContact O-N 3.01Å |
| 3 | L | 57.3 | Low | 63.7 | Low | 157 Ų | 157 | 118.5 Ų | 118.5 | 82% | 0.822 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.9 | -35 | -179.4 | -83 | 156.4 | 0 | 0 | 0 | 114.2 | M1 M7 | M1-L3 PolarHBondContact O-N 3.39Å; M1-L3 VanDerWaalsContact O-N 3.15Å; L3-M7 WeakPolarHBondContact O-CB 3.44Å; L3-M7 PolarHBondContact O-N 3.18Å; L3-M7 VanDerWaalsContact O-N 3.12Å |
| 4 | F | 59.8 | Low | 63 | Low | 147 Ų | 147 | 116.4 Ų | 116.4 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74.7 | -38.1 | 176.2 | -102 | -93.5 | 0 | 0 | 0 | 111.5 | M1 E2 M7 L8 | M1-F4 PolarHBondContact O-N 3.36Å; E2-F4 VanDerWaalsContact C-N 3.3Å; E2-F4 PolarHBondContact O-N 3.47Å; F4-M7 HydrophobicContact CD1-CE 4.03Å; F4-M7 HydrophobicContact CE1-CE 3.95Å; F4-M7 HydrophobicContact CG-CE 4.41Å; F4-M7 HydrophobicContact CZ-CE 4.27Å; F4-M7 PolarHBondContact O-N 2.92Å; F4-L8 WeakPolarHBondContact O-CB 3.47Å; F4-L8 PolarHBondContact O-N 3.28Å |
| 5 | A | 64.3 | Low | 62.2 | Low | 62 Ų | 62 | 118.4 Ų | 118.4 | 51% | 0.512 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.6 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 E2 L8 A9 | M1-A5 PolarHBondContact O-N 3.4Å; E2-A5 PolarHBondContact O-N 3.23Å; E2-A5 VanDerWaalsContact O-N 3.12Å; A5-L8 PolarHBondContact O-N 2.88Å; A5-A9 VanDerWaalsContact O-CB 3.32Å; A5-A9 WeakPolarHBondContact O-CB 3.4Å; A5-A9 PolarHBondContact O-N 2.86Å |
| 6 | G | 71.6 | Confident | 61.4 | Low | 43 Ų | 43 | 118.1 Ų | 118.1 | 44% | 0.443 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.2 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E2 A9 F10 | E2-G6 PolarHBondContact O-N 3.01Å; G6-A9 PolarHBondContact O-N 3.41Å; G6-F10 WeakPolarHBondContact O-CB 3.47Å; G6-F10 PolarHBondContact O-N 2.86Å |
| 7 | M | 71.5 | Confident | 60.4 | Low | 99 Ų | 99 | 119.7 Ų | 119.7 | 49% | 0.488 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.6 | -38.6 | 176 | -172.3 | 171 | 60.2 | 0 | 0 | 112.4 | L3 F4 F10 L11 | L3-M7 WeakPolarHBondContact O-CB 3.44Å; L3-M7 PolarHBondContact O-N 3.18Å; L3-M7 VanDerWaalsContact O-N 3.12Å; F4-M7 HydrophobicContact CD1-CE 4.03Å; F4-M7 HydrophobicContact CE1-CE 3.95Å; F4-M7 HydrophobicContact CG-CE 4.41Å; F4-M7 HydrophobicContact CZ-CE 4.27Å; F4-M7 PolarHBondContact O-N 2.92Å; M7-F10 PolarHBondContact O-N 3.01Å; M7-L11 HydrophobicContact CG-CD1 4.27Å; M7-L11 WeakPolarHBondContact O-CB 3.5Å; M7-L11 VanDerWaalsContact O-CG 3.26Å; M7-L11 WeakPolarHBondContact O-CG 3.45Å; M7-L11 PolarHBondContact O-N 3.46Å |
| 8 | L | 69 | Low | 59.7 | Low | 105 Ų | 105 | 116.7 Ų | 116.7 | 55% | 0.55 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.6 | -38.9 | 174.9 | -131.2 | 117.7 | 0 | 0 | 0 | 111.8 | F4 A5 L11 L12 | F4-L8 WeakPolarHBondContact O-CB 3.47Å; F4-L8 PolarHBondContact O-N 3.28Å; A5-L8 PolarHBondContact O-N 2.88Å; L8-L11 PolarHBondContact O-N 2.95Å; L8-L12 HydrophobicContact CD2-CD1 4.25Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 2.97Å |
| 9 | A | 68.8 | Low | 59.3 | Low | 56 Ų | 56 | 117.2 Ų | 117.2 | 46% | 0.463 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.8 | -39.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | A5 G6 L12 W13 | A5-A9 VanDerWaalsContact O-CB 3.32Å; A5-A9 WeakPolarHBondContact O-CB 3.4Å; A5-A9 PolarHBondContact O-N 2.86Å; G6-A9 PolarHBondContact O-N 3.41Å; A9-L12 PolarHBondContact O-N 3.04Å; A9-W13 WeakPolarHBondContact O-CB 3.37Å; A9-W13 PolarHBondContact O-N 2.92Å |
| 10 | F | 68 | Low | 59.2 | Low | 118 Ų | 118 | 119.8 Ų | 119.8 | 52% | 0.518 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.1 | -39.4 | 175.2 | -164.4 | -103.8 | 0 | 0 | 0 | 112 | G6 M7 W13 L14 | G6-F10 WeakPolarHBondContact O-CB 3.47Å; G6-F10 PolarHBondContact O-N 2.86Å; M7-F10 PolarHBondContact O-N 3.01Å; F10-W13 HydrophobicContact CD2-CE3 4.17Å; F10-W13 HydrophobicContact CE2-CE3 4.29Å; F10-W13 PolarHBondContact O-N 3.37Å; F10-L14 HydrophobicContact CD1-CD1 3.66Å; F10-L14 HydrophobicContact CD1-CG 4.26Å; F10-L14 HydrophobicContact CE1-CD1 3.65Å; F10-L14 HydrophobicContact CE1-CG 4.16Å; F10-L14 WeakPolarHBondContact O-CB 3.48Å; F10-L14 VanDerWaalsContact O-CG 3.31Å; F10-L14 WeakPolarHBondContact O-CG 3.3Å; F10-L14 PolarHBondContact O-N 2.88Å |
| 11 | L | 65.5 | Low | 59.5 | Low | 96 Ų | 96 | 115.5 Ų | 115.5 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.4 | -40.9 | 171.3 | -74.1 | 167.7 | 0 | 0 | 0 | 111.8 | M7 L8 W13 L14 Q15 | M7-L11 HydrophobicContact CG-CD1 4.27Å; M7-L11 WeakPolarHBondContact O-CB 3.5Å; M7-L11 VanDerWaalsContact O-CG 3.26Å; M7-L11 WeakPolarHBondContact O-CG 3.45Å; M7-L11 PolarHBondContact O-N 3.46Å; L8-L11 PolarHBondContact O-N 2.95Å; L11-W13 VanDerWaalsContact C-N 3.33Å; L11-L14 PolarHBondContact O-N 2.92Å; L11-Q15 WeakPolarHBondContact O-CB 3.46Å; L11-Q15 WeakPolarHBondContact O-CG 3.35Å; L11-Q15 PolarHBondContact O-N 2.94Å |
| 12 | L | 61.1 | Low | 60.8 | Low | 105 Ų | 105 | 106.5 Ų | 106.5 | 55% | 0.55 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.8 | -36.9 | 172 | -79.3 | 163.5 | 0 | 0 | 0 | 111.7 | L8 A9 Q15 V16 | L8-L12 HydrophobicContact CD2-CD1 4.25Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 2.97Å; A9-L12 PolarHBondContact O-N 3.04Å; L12-Q15 CarbonylContact O-C 3.56Å; L12-Q15 PolarHBondContact O-N 2.82Å; L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 3.39Å; L12-V16 PolarHBondContact O-N 3.25Å |
| 13 | W | 58.3 | Low | 62.3 | Low | 176 Ų | 176 | 101.3 Ų | 101.3 | 67% | 0.667 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.1 | -38.7 | 177.4 | -160.5 | 26.1 | 0 | 0 | 0 | 112.1 | A9 F10 L11 Q15 V16 Q17 | A9-W13 WeakPolarHBondContact O-CB 3.37Å; A9-W13 PolarHBondContact O-N 2.92Å; F10-W13 HydrophobicContact CD2-CE3 4.17Å; F10-W13 HydrophobicContact CE2-CE3 4.29Å; F10-W13 PolarHBondContact O-N 3.37Å; L11-W13 VanDerWaalsContact C-N 3.33Å; W13-Q15 VanDerWaalsContact C-N 3.31Å; W13-Q15 PolarHBondContact O-N 2.98Å; W13-V16 PolarHBondContact O-N 3.45Å; W13-Q17 PolarHBondContact O-N 2.89Å |
| 14 | L | 54.3 | Low | 64 | Low | 90 Ų | 90 | 94.1 Ų | 94.1 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 168.6 | -74 | 166.7 | 0 | 0 | 0 | 112.3 | F10 L11 Q17 | F10-L14 HydrophobicContact CD1-CD1 3.66Å; F10-L14 HydrophobicContact CD1-CG 4.26Å; F10-L14 HydrophobicContact CE1-CD1 3.65Å; F10-L14 HydrophobicContact CE1-CG 4.16Å; F10-L14 WeakPolarHBondContact O-CB 3.48Å; F10-L14 VanDerWaalsContact O-CG 3.31Å; F10-L14 WeakPolarHBondContact O-CG 3.3Å; F10-L14 PolarHBondContact O-N 2.88Å; L11-L14 PolarHBondContact O-N 2.92Å; L14-Q17 CarbonylContact O-C 3.26Å; L14-Q17 PolarHBondContact O-N 2.89Å |
| 15 | Q | 51.8 | Low | 65.6 | Low | 146 Ų | 146 | 91.4 Ų | 91.4 | 68% | 0.682 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -76.5 | -25.3 | 174 | -69.4 | -79 | -31.9 | 0 | 0 | 112.8 | L11 L12 W13 A18 | L11-Q15 WeakPolarHBondContact O-CB 3.46Å; L11-Q15 WeakPolarHBondContact O-CG 3.35Å; L11-Q15 PolarHBondContact O-N 2.94Å; L12-Q15 CarbonylContact O-C 3.56Å; L12-Q15 PolarHBondContact O-N 2.82Å; W13-Q15 VanDerWaalsContact C-N 3.31Å; W13-Q15 PolarHBondContact O-N 2.98Å; Q15-A18 WeakPolarHBondContact O-CB 3.42Å; Q15-A18 PolarHBondContact O-N 2.87Å |
| 16 | V | 49.4 | Very low | 67.1 | Low | 114 Ų | 114 | 89.5 Ų | 89.5 | 69% | 0.691 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -77.9 | -24.6 | 169.9 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L12 W13 A18 | L12-V16 VanDerWaalsContact O-CG2 3.31Å; L12-V16 WeakPolarHBondContact O-CG2 3.39Å; L12-V16 PolarHBondContact O-N 3.25Å; W13-V16 PolarHBondContact O-N 3.45Å; V16-A18 PolarHBondContact O-N 3.41Å |
| 17 | Q | 44.2 | Very low | 68.3 | Low | 145 Ų | 145 | 89.6 Ų | 89.6 | 68% | 0.678 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 27.5 | 155.8 | -66 | -158.4 | -12.6 | 0 | 0 | 112.8 | W13 L14 V19 | W13-Q17 PolarHBondContact O-N 2.89Å; L14-Q17 CarbonylContact O-C 3.26Å; L14-Q17 PolarHBondContact O-N 2.89Å; Q17-V19 PolarHBondContact O-N 3.3Å |
| 18 | A | 47.2 | Very low | 69.2 | Low | 65 Ų | 65 | 89.5 Ų | 89.5 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | trans | -49.3 | 107 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108 | Q15 V16 H20 | Q15-A18 WeakPolarHBondContact O-CB 3.42Å; Q15-A18 PolarHBondContact O-N 2.87Å; V16-A18 PolarHBondContact O-N 3.41Å; A18-H20 PolarHBondContact O-N 3.49Å | ||
| 19 | V | 51.8 | Low | 70.4 | Confident | 127 Ų | 127 | 88 Ų | 88 | 77% | 0.77 | 48% | 0.481 | S | S | * | . | trans | -37 | 109.3 | -176.3 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | Q17 G21 | Q17-V19 PolarHBondContact O-N 3.3Å; V19-G21 PolarHBondContact O-N 3.29Å | ||
| 20 | H | 57.1 | Low | 71.8 | Confident | 168 Ų | 168 | 88.4 Ų | 88.4 | 78% | 0.778 | 47% | 0.473 | S | S | * | . | trans | -58.3 | 103.9 | 151.2 | -77.1 | 59.3 | 0 | 0 | 0 | 103.6 | A18 N46 | A18-H20 PolarHBondContact O-N 3.49Å; H20-N46 PolarHBondContact O-ND2 3.39Å | ||
| 21 | G | 66.8 | Low | 73.1 | Confident | 30 Ų | 30 | 85.9 Ų | 85.9 | 31% | 0.309 | 47% | 0.47 | S | S | . | . | trans | -95.1 | 165.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V19 S23 N46 | V19-G21 PolarHBondContact O-N 3.29Å; G21-S23 PolarHBondContact O-N 3Å; G21-N46 PolarHBondContact N-ND2 3.38Å; G21-N46 PolarHBondContact O-ND2 3.3Å | ||
| 22 | Q | 82.3 | Confident | 74.6 | Confident | 21 Ų | 21 | 81.6 Ų | 81.6 | 10% | 0.098 | 45% | 0.449 | C | S | . | . | trans | -58.3 | 122.5 | 165.2 | -71.7 | 165.9 | 5.3 | 0 | 0 | 109.1 | F44 N46 P49 | Q22-F44 HydrophobicContact CB-CE1 4.49Å; Q22-F44 HydrophobicContact CB-CE2 4.45Å; Q22-F44 HydrophobicContact CB-CZ 3.81Å; Q22-F44 HydrophobicContact CG-CE1 4.34Å; Q22-F44 HydrophobicContact CG-CZ 3.99Å; Q22-N46 WeakPolarHBondContact CG-O 3.42Å; Q22-P49 PolarHBondContact NE2-O 2.97Å | ||
| 23 | S | 88.2 | Confident | 76.3 | Confident | 57 Ų | 57 | 78.9 Ų | 78.9 | 40% | 0.399 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 161.1 | -177.1 | 56.8 | 0 | 0 | 0 | 0 | 112 | G21 V45 | G21-S23 PolarHBondContact O-N 3Å; S23-V45 PolarHBondContact N-O 2.9Å; S23-V45 WeakPolarHBondContact O-CG2 3.45Å; S23-V45 PolarHBondContact O-N 3.35Å; S23-V45 VanDerWaalsContact OG-CG2 3.29Å; S23-V45 WeakPolarHBondContact OG-CG2 3.13Å |
| 24 | V | 93.1 | Very high | 78.1 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 4% | 0.042 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 113.1 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | M26 C42 F44 Y123 R131 N133 | V24-M26 HydrophobicContact CG1-CG 4.04Å; V24-M26 HydrophobicContact CG1-SD 4.34Å; V24-C42 WeakPolarHBondContact CG1-SG 3.42Å; V24-F44 HydrophobicContact CG2-CD2 4.35Å; V24-Y123 HydrophobicContact CB-CD2 4.45Å; V24-Y123 HydrophobicContact CG1-CD2 4.01Å; V24-Y123 HydrophobicContact CG1-CE2 4.05Å; V24-Y123 HydrophobicContact CG2-CD2 3.58Å; V24-Y123 HydrophobicContact CG2-CE2 4.33Å; V24-Y123 HydrophobicContact CG2-CG 4.32Å; V24-R131 HydrophobicContact CG2-CB 3.8Å; V24-R131 WeakPolarHBondContact CG2-O 3.47Å; V24-N133 HydrophobicContact CB-CB 3.91Å; V24-N133 HydrophobicContact CG1-CB 4.12Å; V24-N133 WeakPolarHBondContact O-CB 3.45Å; V24-N133 PolarHBondContact O-ND2 3.45Å |
| 25 | Q | 94.4 | Very high | 80 | Confident | 89 Ų | 89 | 71.6 Ų | 71.6 | 42% | 0.416 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 120.9 | 178.1 | -170.4 | 177.8 | 18.6 | 0 | 0 | 110.2 | I43 V45 | Q25-I43 PolarHBondContact N-O 3.4Å; Q25-I43 PolarHBondContact O-N 2.97Å; Q25-V45 HydrophobicContact CB-CG1 4.05Å; Q25-V45 HydrophobicContact CB-CG2 4.37Å |
| 26 | M | 95.3 | Very high | 82.1 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 11% | 0.108 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 163.1 | 176.1 | -59.1 | -172.4 | 74.3 | 0 | 0 | 110.2 | V24 R41 C42 W58 C121 N133 V135 | V24-M26 HydrophobicContact CG1-CG 4.04Å; V24-M26 HydrophobicContact CG1-SD 4.34Å; M26-R41 WeakPolarHBondContact CG-O 3.16Å; M26-C42 HydrophobicContact CE-CB 4.3Å; M26-C42 HydrophobicContact CG-CB 4.35Å; M26-W58 HydrophobicContact CE-CH2 3.34Å; M26-W58 HydrophobicContact CE-CZ2 4.3Å; M26-W58 HydrophobicContact CE-CZ3 3.52Å; M26-C121 HydrophobicContact CE-CB 3.72Å; M26-C121 HydrophobicContact SD-CB 3.58Å; M26-C121 VanDerWaalsContact SD-CB 3.58Å; M26-N133 HydrophobicContact CG-CB 4.03Å; M26-N133 HydrophobicContact SD-CB 3.82Å; M26-V135 HydrophobicContact CE-CB 4.06Å; M26-V135 HydrophobicContact CE-CG1 3.62Å |
| 27 | D | 95.3 | Very high | 84.4 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 25% | 0.246 | 40% | 0.4 | C | S | . | . | trans | -73.5 | 143.1 | 165.6 | -61.6 | -89.7 | 0 | 0 | 0 | 110.4 | K30 R41 V135 | D27-K30 HydrophobicContact CB-CD 4.31Å; D27-K30 HydrophobicContact CB-CG 4.23Å; D27-K30 IonicContact OD1-NZ 3.53Å; D27-K30 PolarHBondContact OD1-NZ 2.9Å; D27-K30 WeakPolarHBondContact OD2-CE 3.32Å; D27-K30 IonicContact OD2-NZ 3.12Å; D27-K30 PolarHBondContact OD2-NZ 3.49Å; D27-R41 WeakPolarHBondContact OD2-CB 3.31Å; D27-V135 HydrophobicContact CB-CG2 4.36Å; D27-V135 WeakPolarHBondContact O-CB 3.37Å; D27-V135 WeakPolarHBondContact O-CG2 3.3Å | ||
| 28 | S | 90.6 | Very high | 86.9 | Confident | 97 Ų | 97 | 61.7 Ų | 61.7 | 68% | 0.678 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -72.1 | -30 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | N136 | S28-N136 PolarHBondContact O-N 2.95Š|
| 29 | S | 95.8 | Very high | 89.2 | Confident | 72 Ų | 72 | 62 Ų | 62 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 151.6 | 170.1 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | N136 | S29-N136 CarbonylContact C-O 3.55Å; S29-N136 VanDerWaalsContact CA-O 3.32Å; S29-N136 WeakPolarHBondContact CA-O 3.3Å |
| 30 | K | 96.8 | Very high | 91.4 | Very high | 65 Ų | 65 | 56 Ų | 56 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 154.3 | 169.7 | -77.6 | -60.3 | -166.1 | -146.7 | 0 | 109.5 | D27 L40 V135 N136 L137 T138 | D27-K30 HydrophobicContact CB-CD 4.31Å; D27-K30 HydrophobicContact CB-CG 4.23Å; D27-K30 IonicContact OD1-NZ 3.53Å; D27-K30 PolarHBondContact OD1-NZ 2.9Å; D27-K30 WeakPolarHBondContact OD2-CE 3.32Å; D27-K30 IonicContact OD2-NZ 3.12Å; D27-K30 PolarHBondContact OD2-NZ 3.49Å; K30-L40 HydrophobicContact CB-CD2 3.93Å; K30-L40 HydrophobicContact CG-CD2 3.99Å; K30-V135 HydrophobicContact CB-CG2 4.15Å; K30-V135 HydrophobicContact CG-CG2 3.96Å; K30-N136 PolarHBondContact N-O 3.26Å; K30-N136 VanDerWaalsContact O-O 3.13Å; K30-L137 HydrophobicContact CB-CD1 4.23Å; K30-L137 WeakPolarHBondContact O-CA 3.47Å; K30-T138 PolarHBondContact O-N 2.85Å |
| 31 | S | 96.4 | Very high | 93.3 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 145.4 | 173.7 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | T138 F140 | S31-T138 WeakPolarHBondContact CA-O 3.5Å; S31-T138 WeakPolarHBondContact CB-O 3.41Å; S31-F140 WeakPolarHBondContact OG-CE2 3.33Å |
| 32 | G | 96.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 172 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T138 F140 | G32-T138 PolarHBondContact N-O 2.93Å; G32-F140 PolarHBondContact O-N 2.87Å |
| 33 | F | 96.6 | Very high | 95.3 | Very high | 47 Ų | 47 | 52 Ų | 52 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 149.6 | 175.8 | -69.5 | -80.7 | 0 | 0 | 0 | 111 | G35 T36 F140 R142 Y226 | F33-G35 PolarHBondContact O-N 3.46Å; F33-T36 HydrophobicContact CB-CG2 3.82Å; F33-T36 PolarHBondContact N-OG1 2.97Å; F33-T36 VanDerWaalsContact N-OG1 3.07Å; F33-T36 WeakPolarHBondContact O-CB 3.38Å; F33-T36 PolarHBondContact O-N 3.36Å; F33-T36 PolarHBondContact O-OG1 3.46Å; F33-F140 CarbonylContact C-O 3.36Å; F33-F140 VanDerWaalsContact CA-O 3.27Å; F33-F140 WeakPolarHBondContact CA-O 3.5Å; F33-F140 HydrophobicContact CD1-CB 3.59Å; F33-F140 HydrophobicContact CE1-CB 3.68Å; F33-F140 HydrophobicContact CE1-CG 4.5Å; F33-F140 HydrophobicContact CG-CB 4.37Å; F33-R142 HydrophobicContact CD1-CG 3.68Å; F33-R142 HydrophobicContact CE1-CG 3.7Å; F33-R142 HydrophobicContact CG-CG 4.5Å; F33-Y226 AromaticContact CE1-CE1 3.92Å; F33-Y226 HydrophobicContact CE1-CE1 3.92Å; F33-Y226 WeakPolarHBondContact CE1-OH 3.45Å |
| 34 | V | 96.5 | Very high | 95.5 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 134.2 | 168.7 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | T36 L111 L113 V139 F140 A141 | V34-T36 VanDerWaalsContact C-N 3.3Å; V34-T36 PolarHBondContact O-N 2.93Å; V34-L111 CarbonylContact C-O 3.38Å; V34-L111 VanDerWaalsContact CA-O 3.31Å; V34-L111 WeakPolarHBondContact CA-O 3.38Å; V34-L113 HydrophobicContact CG2-CD2 3.78Å; V34-L113 HydrophobicContact CG2-CG 3.72Å; V34-V139 HydrophobicContact CG2-CG1 3.71Å; V34-F140 PolarHBondContact N-O 2.79Å; V34-A141 HydrophobicContact CG2-CB 4.29Å |
| 35 | G | 94.9 | Very high | 95.3 | Very high | 47 Ų | 47 | 51.3 Ų | 51.3 | 49% | 0.485 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -7.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | F33 N110 L111 | F33-G35 PolarHBondContact O-N 3.46Å; G35-N110 WeakPolarHBondContact CA-OD1 3.38Å; G35-L111 PolarHBondContact N-O 2.79Å |
| 36 | T | 95.8 | Very high | 94.6 | Very high | 56 Ų | 56 | 50 Ų | 50 | 34% | 0.344 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -96.9 | 160.3 | -179 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | F33 V34 L111 | F33-T36 HydrophobicContact CB-CG2 3.82Å; F33-T36 PolarHBondContact N-OG1 2.97Å; F33-T36 VanDerWaalsContact N-OG1 3.07Å; F33-T36 WeakPolarHBondContact O-CB 3.38Å; F33-T36 PolarHBondContact O-N 3.36Å; F33-T36 PolarHBondContact O-OG1 3.46Å; V34-T36 VanDerWaalsContact C-N 3.3Å; V34-T36 PolarHBondContact O-N 2.93Å; T36-L111 WeakPolarHBondContact O-CB 3.39Å; T36-L111 PolarHBondContact O-N 2.87Å; T36-L111 VanDerWaalsContact O-N 3.15Å |
| 37 | Q | 96.6 | Very high | 93.3 | Very high | 127 Ų | 127 | 51.4 Ų | 51.4 | 59% | 0.593 | 30% | 0.296 | S | S | * | . | trans | -81.3 | 135.8 | 173 | -177.6 | -179.7 | -29.1 | 0 | 0 | 110.8 | V107 F108 | Q37-V107 HydrophobicContact CG-CG1 3.53Å; Q37-F108 CarbonylContact C-O 3.54Å; Q37-F108 WeakPolarHBondContact CA-O 3.04Å; Q37-F108 WeakPolarHBondContact CG-O 3.39Å | ||
| 38 | V | 96.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 55 Ų | 55 | 9% | 0.085 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 135.5 | 176.7 | 176 | 0 | 0 | 0 | 0 | 110.8 | L40 V107 F108 L111 L137 | V38-L40 HydrophobicContact CG1-CD2 4.25Å; V38-V107 WeakPolarHBondContact O-CA 3.45Å; V38-F108 PolarHBondContact N-O 2.83Å; V38-F108 PolarHBondContact O-N 3.28Å; V38-L111 HydrophobicContact CG2-CD2 3.89Å; V38-L137 HydrophobicContact CG1-CD1 4.19Å |
| 39 | E | 96.4 | Very high | 91.2 | Very high | 72 Ų | 72 | 54.7 Ų | 54.7 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.7 | 173.6 | -50.7 | -168.9 | 153.2 | 0 | 0 | 110.9 | K91 T105 I106 V107 | E39-K91 WeakPolarHBondContact OE1-CD 3.42Å; E39-K91 VanDerWaalsContact OE1-CE 3.28Å; E39-K91 WeakPolarHBondContact OE1-CE 3.46Å; E39-K91 IonicContact OE1-NZ 2.79Å; E39-K91 PolarHBondContact OE1-NZ 2.91Å; E39-K91 IonicContact OE2-NZ 3.11Å; E39-K91 PolarHBondContact OE2-NZ 3.31Å; E39-T105 HydrophobicContact CB-CG2 4.22Å; E39-I106 WeakPolarHBondContact CA-O 3.03Å; E39-V107 HydrophobicContact CG-CG1 4.43Å; E39-V107 HydrophobicContact CG-CG2 4.12Å |
| 40 | L | 97.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 103.2 | 168.6 | -57.6 | -171.7 | 0 | 0 | 0 | 108.3 | K30 V38 W58 T105 I106 F108 Y119 V135 L137 | K30-L40 HydrophobicContact CB-CD2 3.93Å; K30-L40 HydrophobicContact CG-CD2 3.99Å; V38-L40 HydrophobicContact CG1-CD2 4.25Å; L40-W58 HydrophobicContact CB-CH2 3.5Å; L40-W58 HydrophobicContact CB-CZ2 4.34Å; L40-W58 HydrophobicContact CB-CZ3 3.95Å; L40-W58 HydrophobicContact CD1-CH2 4.47Å; L40-W58 HydrophobicContact CD1-CZ3 4.07Å; L40-W58 WeakPolarHBondContact O-CH2 3.39Å; L40-W58 WeakPolarHBondContact O-CZ2 3.02Å; L40-T105 WeakPolarHBondContact O-CA 3.43Å; L40-I106 HydrophobicContact CB-CG1 4.01Å; L40-I106 HydrophobicContact CD1-CD1 4.36Å; L40-I106 PolarHBondContact N-O 2.7Å; L40-I106 PolarHBondContact O-N 2.82Å; L40-F108 HydrophobicContact CD1-CD2 4.44Å; L40-F108 HydrophobicContact CD1-CE2 3.74Å; L40-F108 HydrophobicContact CG-CD2 4.41Å; L40-F108 HydrophobicContact CG-CE2 4.18Å; L40-Y119 HydrophobicContact CD1-CD1 4.19Å; L40-Y119 HydrophobicContact CD1-CD2 4Å; L40-Y119 HydrophobicContact CD1-CG 3.75Å; L40-V135 HydrophobicContact CB-CG1 4.3Å; L40-V135 HydrophobicContact CD1-CG1 4.04Å; L40-V135 HydrophobicContact CD2-CG1 4.13Å; L40-V135 HydrophobicContact CD2-CG2 4.46Å; L40-V135 HydrophobicContact CG-CG1 4.4Å; L40-L137 HydrophobicContact CD1-CD2 4.36Å; L40-L137 HydrophobicContact CD2-CD1 4.28Å; L40-L137 HydrophobicContact CD2-CD2 4.42Å |
| 41 | R | 96.4 | Very high | 90 | Very high | 104 Ų | 104 | 54.5 Ų | 54.5 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | trans | -68.1 | 132 | -176.8 | -171.8 | 178.6 | 179.6 | -167.8 | -1.6 | 110.9 | M26 D27 I43 T105 | M26-R41 WeakPolarHBondContact CG-O 3.16Å; D27-R41 WeakPolarHBondContact OD2-CB 3.31Å; R41-I43 HydrophobicContact CG-CD1 4.28Å; R41-I43 HydrophobicContact CG-CG1 4.19Å; R41-I43 VanDerWaalsContact NE-CD1 3.34Å; R41-T105 WeakPolarHBondContact CA-OG1 3.27Å | ||
| 42 | C | 96.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 114.8 | 170.2 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | V24 M26 W58 T104 T105 C121 Y123 | V24-C42 WeakPolarHBondContact CG1-SG 3.42Å; M26-C42 HydrophobicContact CE-CB 4.3Å; M26-C42 HydrophobicContact CG-CB 4.35Å; C42-W58 HydrophobicContact CB-CH2 3.87Å; C42-W58 HydrophobicContact CB-CZ2 3.27Å; C42-T104 PolarHBondContact O-N 2.03Å; C42-T105 PolarHBondContact N-OG1 2.87Å; C42-T105 PolarHBondContact O-N 2.92Å; C42-C121 HydrophobicContact CB-CB 3.78Å; C42-C121 WeakPolarHBondContact CB-SG 3.43Å; C42-C121 WeakPolarHBondContact SG-CB 3.43Å; C42-C121 CovalentContact SG-SG 2.02Å; C42-C121 PolarHBondContact SG-SG 2.9Å; C42-Y123 VanDerWaalsContact SG-CE2 3.54Å |
| 43 | I | 94.5 | Very high | 89.3 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 16% | 0.164 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 130 | -176.4 | -59 | -174.4 | 0 | 0 | 0 | 109.4 | Q25 R41 V45 E102 D103 | Q25-I43 PolarHBondContact N-O 3.4Å; Q25-I43 PolarHBondContact O-N 2.97Å; R41-I43 HydrophobicContact CG-CD1 4.28Å; R41-I43 HydrophobicContact CG-CG1 4.19Å; R41-I43 VanDerWaalsContact NE-CD1 3.34Å; I43-V45 HydrophobicContact CG2-CG1 3.94Å; I43-E102 CarbonylContact C-O 3.51Å; I43-E102 VanDerWaalsContact CA-O 3.25Å; I43-E102 WeakPolarHBondContact CA-O 3.2Å; I43-E102 WeakPolarHBondContact CG2-O 3.24Å; I43-D103 HydrophobicContact CD1-CB 4.48Å; I43-D103 HydrophobicContact CG1-CB 4.15Å |
| 44 | F | 92.6 | Very high | 89.1 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 120.8 | 170.1 | -168.9 | -95.9 | 0 | 0 | 0 | 109.5 | Q22 V24 S47 V51 I53 E102 Y123 T125 R131 | Q22-F44 HydrophobicContact CB-CE1 4.49Å; Q22-F44 HydrophobicContact CB-CE2 4.45Å; Q22-F44 HydrophobicContact CB-CZ 3.81Å; Q22-F44 HydrophobicContact CG-CE1 4.34Å; Q22-F44 HydrophobicContact CG-CZ 3.99Å; V24-F44 HydrophobicContact CG2-CD2 4.35Å; F44-S47 WeakPolarHBondContact CD1-OG 3.41Å; F44-S47 WeakPolarHBondContact CE1-OG 3.05Å; F44-V51 HydrophobicContact CE1-CG2 3.74Å; F44-V51 HydrophobicContact CZ-CG2 3.81Å; F44-I53 HydrophobicContact CB-CD1 4.47Å; F44-E102 PolarHBondContact N-O 2.89Å; F44-Y123 HydrophobicContact CB-CD1 3.85Å; F44-Y123 HydrophobicContact CB-CD2 4.29Å; F44-Y123 HydrophobicContact CB-CE1 3.56Å; F44-Y123 HydrophobicContact CB-CE2 3.99Å; F44-Y123 HydrophobicContact CB-CG 4.21Å; F44-Y123 AromaticContact CD2-CD1 3.86Å; F44-Y123 HydrophobicContact CD2-CD1 3.86Å; F44-Y123 HydrophobicContact CD2-CD2 4.12Å; F44-Y123 HydrophobicContact CD2-CE1 4.45Å; F44-Y123 AromaticContact CD2-CG 3.68Å; F44-Y123 HydrophobicContact CD2-CG 3.68Å; F44-Y123 HydrophobicContact CG-CD1 4.1Å; F44-Y123 HydrophobicContact CG-CE1 4.31Å; F44-Y123 HydrophobicContact CG-CG 4.32Å; F44-Y123 PolarHBondContact N-OH 3.01Å; F44-T125 HydrophobicContact CE2-CG2 3.86Å; F44-T125 HydrophobicContact CZ-CG2 3.98Å; F44-R131 HydrophobicContact CE2-CB 4.4Å; F44-R131 HydrophobicContact CE2-CG 4.32Å |
| 45 | V | 89.6 | Confident | 88.9 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 26% | 0.255 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 148.4 | -178.2 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | S23 Q25 I43 | S23-V45 PolarHBondContact N-O 2.9Å; S23-V45 WeakPolarHBondContact O-CG2 3.45Å; S23-V45 PolarHBondContact O-N 3.35Å; S23-V45 VanDerWaalsContact OG-CG2 3.29Å; S23-V45 WeakPolarHBondContact OG-CG2 3.13Å; Q25-V45 HydrophobicContact CB-CG1 4.05Å; Q25-V45 HydrophobicContact CB-CG2 4.37Å; I43-V45 HydrophobicContact CG2-CG1 3.94Å |
| 46 | N | 79.1 | Confident | 89 | Confident | 62 Ų | 62 | 57.4 Ų | 57.4 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | trans | 61.9 | 65.7 | 170.9 | -179.5 | 40.4 | 0 | 0 | 0 | 114.4 | H20 G21 Q22 N48 | H20-N46 PolarHBondContact O-ND2 3.39Å; G21-N46 PolarHBondContact N-ND2 3.38Å; G21-N46 PolarHBondContact O-ND2 3.3Å; Q22-N46 WeakPolarHBondContact CG-O 3.42Å; N46-N48 PolarHBondContact O-N 3Å | ||
| 47 | S | 69.3 | Low | 89 | Confident | 52 Ų | 52 | 55 Ų | 55 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -74 | 50.9 | 174.2 | -46.9 | 0 | 0 | 0 | 0 | 113.2 | F44 P49 P50 | F44-S47 WeakPolarHBondContact CD1-OG 3.41Å; F44-S47 WeakPolarHBondContact CE1-OG 3.05Å; S47-P49 CarbonylContact C-O 3.59Å; S47-P49 VanDerWaalsContact C-O 3.26Å; S47-P49 CarbonylContact O-C 3.36Å; S47-P49 VanDerWaalsContact O-O 3.1Å; S47-P50 WeakPolarHBondContact O-CA 3.44Å; S47-P50 VanDerWaalsContact O-N 3.16Å | ||
| 48 | N | 70.8 | Confident | 89.1 | Confident | 121 Ų | 121 | 49 Ų | 49 | 65% | 0.647 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -118.2 | 119 | 174.9 | -167.9 | 13.4 | 0 | 0 | 0 | 110.5 | N46 | N46-N48 PolarHBondContact O-N 3Š|
| 49 | P | 70.8 | Confident | 89.1 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 58% | 0.584 | 26% | 0.264 | S | S | * | . | S | Bend | cis | -62 | 157.9 | -6.5 | 29 | -36.4 | 0 | 0 | 0 | 112.4 | Q22 S47 V51 | Q22-P49 PolarHBondContact NE2-O 2.97Å; S47-P49 CarbonylContact C-O 3.59Å; S47-P49 VanDerWaalsContact C-O 3.26Å; S47-P49 CarbonylContact O-C 3.36Å; S47-P49 VanDerWaalsContact O-O 3.1Å; P49-V51 PolarHBondContact O-N 3.07Å |
| 50 | P | 80.2 | Confident | 89.1 | Confident | 112 Ų | 112 | 46.7 Ų | 46.7 | 73% | 0.727 | 25% | 0.252 | S | S | * | . | trans | -59.3 | 125.7 | -179.4 | 23 | -33.3 | 0 | 0 | 0 | 111.3 | S47 | S47-P50 WeakPolarHBondContact O-CA 3.44Å; S47-P50 VanDerWaalsContact O-N 3.16Å | ||
| 51 | V | 86.6 | Confident | 89 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | trans | -115.9 | 147.6 | 177.5 | -75.1 | 0 | 0 | 0 | 0 | 110.6 | F44 P49 T125 A128 | F44-V51 HydrophobicContact CE1-CG2 3.74Å; F44-V51 HydrophobicContact CZ-CG2 3.81Å; P49-V51 PolarHBondContact O-N 3.07Å; V51-T125 HydrophobicContact CG2-CG2 4.41Å; V51-A128 HydrophobicContact CG1-CB 3.66Å | ||
| 52 | K | 87.5 | Confident | 88.5 | Confident | 155 Ų | 155 | 46.4 Ų | 46.4 | 67% | 0.674 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 123.6 | 171.4 | -170.6 | 172.8 | -178.3 | 178.2 | 0 | 109.1 | S54 T125 F126 | K52-S54 PolarHBondContact O-N 3.17Å; K52-T125 WeakPolarHBondContact O-CA 3.04Å; K52-F126 PolarHBondContact N-O 3.46Å; K52-F126 PolarHBondContact O-N 3.35Å |
| 53 | I | 90.9 | Very high | 87.9 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 119.8 | 169.9 | -62.3 | 162.5 | 0 | 0 | 0 | 107.4 | F44 V56 P74 M101 Y123 T125 | F44-I53 HydrophobicContact CB-CD1 4.47Å; I53-V56 HydrophobicContact CG2-CG2 3.7Å; I53-P74 WeakPolarHBondContact O-CG 3.41Å; I53-M101 HydrophobicContact CB-CB 4.48Å; I53-M101 HydrophobicContact CD1-CB 4.05Å; I53-M101 HydrophobicContact CG2-CB 4.16Å; I53-M101 HydrophobicContact CG2-SD 4.35Å; I53-Y123 HydrophobicContact CD1-CD1 3.98Å; I53-Y123 HydrophobicContact CD1-CE1 3.87Å; I53-Y123 HydrophobicContact CG1-CD1 4.08Å; I53-Y123 HydrophobicContact CG1-CE1 4.45Å; I53-Y123 HydrophobicContact CG2-CD1 3.89Å; I53-Y123 HydrophobicContact CG2-CE1 4.3Å; I53-T125 HydrophobicContact CG1-CG2 4.34Å |
| 54 | S | 91.9 | Very high | 87.5 | Confident | 54 Ų | 54 | 56.1 Ų | 56.1 | 38% | 0.378 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -39 | -178.5 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | K52 N73 P74 T124 | K52-S54 PolarHBondContact O-N 3.17Å; S54-N73 PolarHBondContact O-ND2 2.78Å; S54-P74 WeakPolarHBondContact O-CD 2.84Å; S54-T124 PolarHBondContact N-O 3.35Å |
| 55 | Q | 93.6 | Very high | 87.4 | Confident | 63 Ų | 63 | 60.2 Ų | 60.2 | 29% | 0.294 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 147.9 | 178.9 | -179.9 | 179.4 | -65.9 | 0 | 0 | 109.3 | T57 T71 A72 T124 | Q55-T57 PolarHBondContact NE2-OG1 3.3Å; Q55-T71 HydrophobicContact CG-CG2 3.46Å; Q55-T71 VanDerWaalsContact CG-CG2 3.46Å; Q55-A72 CarbonylContact C-O 3.5Å; Q55-A72 WeakPolarHBondContact CA-O 3.29Å; Q55-T124 WeakPolarHBondContact CA-OG1 3.07Å; Q55-T124 WeakPolarHBondContact CB-OG1 3.39Å; Q55-T124 PolarHBondContact N-OG1 3.3Å; Q55-T124 PolarHBondContact O-N 2.85Å; Q55-T124 PolarHBondContact O-OG1 2.93Å |
| 56 | V | 95.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.7 | 168.7 | -167.6 | 0 | 0 | 0 | 0 | 109.7 | I53 T71 A72 T104 E122 Y123 | I53-V56 HydrophobicContact CG2-CG2 3.7Å; V56-T71 CarbonylContact O-C 3.46Å; V56-T71 WeakPolarHBondContact O-CA 3.31Å; V56-A72 PolarHBondContact N-O 2.73Å; V56-A72 PolarHBondContact O-N 2.83Å; V56-T104 HydrophobicContact CB-CG2 3.97Å; V56-T104 HydrophobicContact CG1-CG2 3.99Å; V56-T104 WeakPolarHBondContact CG1-OG1 3.48Å; V56-T104 HydrophobicContact CG2-CG2 3.78Å; V56-E122 CarbonylContact C-O 3.51Å; V56-E122 VanDerWaalsContact CA-O 3.32Å; V56-E122 WeakPolarHBondContact CA-O 3.34Å; V56-E122 WeakPolarHBondContact CG1-O 3.42Å; V56-Y123 HydrophobicContact CB-CD1 4.46Å; V56-Y123 HydrophobicContact CB-CE1 4.41Å; V56-Y123 HydrophobicContact CG1-CD1 4.28Å; V56-Y123 HydrophobicContact CG1-CD2 4.06Å; V56-Y123 HydrophobicContact CG1-CE1 4.18Å; V56-Y123 HydrophobicContact CG1-CE2 4Å; V56-Y123 HydrophobicContact CG1-CG 4.22Å; V56-Y123 HydrophobicContact CG2-CD1 3.42Å; V56-Y123 VanDerWaalsContact CG2-CD1 3.42Å; V56-Y123 HydrophobicContact CG2-CE1 3.34Å; V56-Y123 HydrophobicContact CG2-CG 4.1Å |
| 57 | T | 96.5 | Very high | 88.4 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.6 | -175.8 | -45.4 | 0 | 0 | 0 | 0 | 110 | Q55 Q59 E122 | Q55-T57 PolarHBondContact NE2-OG1 3.3Å; T57-Q59 HydrophobicContact CG2-CG 3.92Å; T57-E122 PolarHBondContact N-O 2.65Å; T57-E122 PolarHBondContact O-N 3.33Å |
| 58 | W | 97.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 130.9 | 166.6 | -82.3 | 93.4 | 0 | 0 | 0 | 110.1 | M26 L40 C42 V69 A70 F90 T104 I106 I120 C121 V135 | M26-W58 HydrophobicContact CE-CH2 3.34Å; M26-W58 HydrophobicContact CE-CZ2 4.3Å; M26-W58 HydrophobicContact CE-CZ3 3.52Å; L40-W58 HydrophobicContact CB-CH2 3.5Å; L40-W58 HydrophobicContact CB-CZ2 4.34Å; L40-W58 HydrophobicContact CB-CZ3 3.95Å; L40-W58 HydrophobicContact CD1-CH2 4.47Å; L40-W58 HydrophobicContact CD1-CZ3 4.07Å; L40-W58 WeakPolarHBondContact O-CH2 3.39Å; L40-W58 WeakPolarHBondContact O-CZ2 3.02Å; C42-W58 HydrophobicContact CB-CH2 3.87Å; C42-W58 HydrophobicContact CB-CZ2 3.27Å; W58-V69 HydrophobicContact CB-CB 4.22Å; W58-V69 PolarHBondContact O-N 2.97Å; W58-A70 HydrophobicContact CB-CB 4.42Å; W58-A70 PolarHBondContact N-O 2.81Å; W58-A70 PolarHBondContact O-N 3.34Å; W58-F90 AromaticContact CD1-CE1 3.85Å; W58-T104 PolarHBondContact NE1-O 2.7Å; W58-I106 HydrophobicContact CB-CD1 4.41Å; W58-I106 HydrophobicContact CD2-CD1 3.57Å; W58-I106 HydrophobicContact CD2-CG1 3.95Å; W58-I106 HydrophobicContact CD2-CG2 4.36Å; W58-I106 HydrophobicContact CE3-CD1 3.69Å; W58-I106 HydrophobicContact CE3-CG1 4.24Å; W58-I106 HydrophobicContact CG-CD1 3.93Å; W58-I106 HydrophobicContact CG-CG1 4.49Å; W58-I106 HydrophobicContact CG-CG2 4.16Å; W58-I106 HydrophobicContact CH2-CD1 4.32Å; W58-I106 HydrophobicContact CH2-CG1 4Å; W58-I106 HydrophobicContact CZ2-CD1 4.24Å; W58-I106 HydrophobicContact CZ2-CG1 3.71Å; W58-I106 HydrophobicContact CZ2-CG2 4.5Å; W58-I106 HydrophobicContact CZ3-CD1 4.08Å; W58-I106 HydrophobicContact CZ3-CG1 4.27Å; W58-I120 WeakPolarHBondContact CA-O 3.28Å; W58-C121 HydrophobicContact CD2-CB 4Å; W58-C121 HydrophobicContact CE3-CB 4.02Å; W58-C121 HydrophobicContact CH2-CB 4.09Å; W58-C121 HydrophobicContact CZ2-CB 4.04Å; W58-C121 HydrophobicContact CZ3-CB 4.06Å; W58-V135 HydrophobicContact CZ3-CG1 4.4Å |
| 59 | Q | 97 | Very high | 90.9 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142.7 | -179.6 | -49.2 | -174.5 | -59.5 | 0 | 0 | 110.1 | T57 K66 Q67 N68 Y119 I120 | T57-Q59 HydrophobicContact CG2-CG 3.92Å; Q59-K66 VanDerWaalsContact OE1-NZ 3.11Å; Q59-Q67 CarbonylContact C-O 3.55Å; Q59-Q67 VanDerWaalsContact CA-O 3.29Å; Q59-Q67 WeakPolarHBondContact CA-O 3.33Å; Q59-N68 PolarHBondContact NE2-OD1 2.99Å; Q59-Y119 CarbonylContact O-C 3.58Å; Q59-Y119 WeakPolarHBondContact O-CA 3.22Å; Q59-I120 HydrophobicContact CB-CB 4.37Å; Q59-I120 PolarHBondContact N-O 3.22Å; Q59-I120 PolarHBondContact O-N 3.11Å |
| 60 | K | 96.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.1 | 171 | -176.3 | -177.4 | -177.2 | -173.5 | 0 | 108.5 | Q67 V69 F84 S114 A117 Y119 | K60-Q67 PolarHBondContact N-O 3.22Å; K60-Q67 PolarHBondContact O-N 3.47Å; K60-V69 HydrophobicContact CB-CG2 3.67Å; K60-F84 HydrophobicContact CD-CZ 3.92Å; K60-S114 PolarHBondContact NZ-O 3.5Å; K60-A117 HydrophobicContact CD-CB 4.08Å; K60-A117 HydrophobicContact CG-CB 3.58Å; K60-Y119 HydrophobicContact CB-CD1 4.16Å; K60-Y119 HydrophobicContact CB-CE1 3.82Å; K60-Y119 HydrophobicContact CD-CE1 4.25Å; K60-Y119 HydrophobicContact CG-CD1 4.47Å; K60-Y119 HydrophobicContact CG-CE1 3.94Å; K60-Y119 HydrophobicContact CG-CE2 4.31Å |
| 61 | L | 94.9 | Very high | 92.8 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 30% | 0.298 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 108.4 | 173 | -177.2 | 65.2 | 0 | 0 | 0 | 108.9 | T65 K66 A118 I120 M134 | L61-T65 WeakPolarHBondContact CA-O 3.16Å; L61-K66 HydrophobicContact CD1-CG 4.19Å; L61-A118 HydrophobicContact CB-CB 4.35Å; L61-A118 PolarHBondContact N-O 3.32Å; L61-I120 HydrophobicContact CB-CD1 4.26Å; L61-M134 HydrophobicContact CD2-SD 4.23Å |
| 62 | S | 87.1 | Confident | 93.2 | Very high | 41 Ų | 41 | 49.2 Ų | 49.2 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 121 | -178.1 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | G64 T65 | S62-G64 PolarHBondContact O-N 3.49Å; S62-T65 PolarHBondContact N-O 3.22Å; S62-T65 PolarHBondContact O-N 3.42Å; S62-T65 PolarHBondContact O-OG1 3.07Å |
| 63 | N | 83.3 | Confident | 93.4 | Very high | 166 Ų | 166 | 43 Ų | 43 | 89% | 0.888 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 41.3 | -178.7 | -60.7 | -12.2 | 0 | 0 | 0 | 113.6 | T65 | N63-T65 VanDerWaalsContact C-N 3.26Å; N63-T65 PolarHBondContact O-N 2.74Å |
| 64 | G | 85.7 | Confident | 93.2 | Very high | 70 Ų | 70 | 43.2 Ų | 43.2 | 72% | 0.722 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -6.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | S62 | S62-G64 PolarHBondContact O-N 3.49Š|
| 65 | T | 91.4 | Very high | 93 | Very high | 92 Ų | 92 | 46.4 Ų | 46.4 | 56% | 0.564 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.3 | 176.8 | 64.7 | 0 | 0 | 0 | 0 | 111.5 | L61 S62 N63 | L61-T65 WeakPolarHBondContact CA-O 3.16Å; S62-T65 PolarHBondContact N-O 3.22Å; S62-T65 PolarHBondContact O-N 3.42Å; S62-T65 PolarHBondContact O-OG1 3.07Å; N63-T65 VanDerWaalsContact C-N 3.26Å; N63-T65 PolarHBondContact O-N 2.74Å |
| 66 | K | 94.1 | Very high | 92.8 | Very high | 100 Ų | 100 | 50.5 Ų | 50.5 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 114.2 | 171.7 | -73.9 | -176.3 | 163.6 | -148.2 | 0 | 109.2 | Q59 L61 I120 E132 | Q59-K66 VanDerWaalsContact OE1-NZ 3.11Å; L61-K66 HydrophobicContact CD1-CG 4.19Å; K66-I120 HydrophobicContact CD-CD1 4.41Å; K66-I120 VanDerWaalsContact CE-CD1 3.47Å; K66-I120 HydrophobicContact CG-CD1 4.42Å; K66-E132 IonicContact NZ-OE1 3.64Å; K66-E132 IonicContact NZ-OE2 3.6Å; K66-E132 PolarHBondContact NZ-OE2 3.37Å |
| 67 | Q | 94.9 | Very high | 92.4 | Very high | 77 Ų | 77 | 52.1 Ų | 52.1 | 36% | 0.36 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.3 | 171.8 | -177.9 | -175.1 | 18.7 | 0 | 0 | 109.6 | Q59 K60 V69 | Q59-Q67 CarbonylContact C-O 3.55Å; Q59-Q67 VanDerWaalsContact CA-O 3.29Å; Q59-Q67 WeakPolarHBondContact CA-O 3.33Å; K60-Q67 PolarHBondContact N-O 3.22Å; K60-Q67 PolarHBondContact O-N 3.47Å; Q67-V69 PolarHBondContact O-N 2.91Å |
| 68 | N | 95.6 | Very high | 92.2 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 135 | 174.1 | -69 | -16.2 | 0 | 0 | 0 | 110.5 | Q59 L81 | Q59-N68 PolarHBondContact NE2-OD1 2.99Å; N68-L81 HydrophobicContact CB-CD1 3.56Å |
| 69 | V | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -56 | -176.9 | 175.2 | 0 | 0 | 0 | 0 | 110 | W58 K60 Q67 L81 F84 V88 Y119 | W58-V69 HydrophobicContact CB-CB 4.22Å; W58-V69 PolarHBondContact O-N 2.97Å; K60-V69 HydrophobicContact CB-CG2 3.67Å; Q67-V69 PolarHBondContact O-N 2.91Å; V69-L81 PolarHBondContact O-N 2.91Å; V69-F84 HydrophobicContact CB-CD2 4.21Å; V69-F84 HydrophobicContact CB-CE2 4.42Å; V69-F84 HydrophobicContact CG1-CB 4.18Å; V69-F84 HydrophobicContact CG1-CD1 4.3Å; V69-F84 HydrophobicContact CG1-CD2 3.84Å; V69-F84 HydrophobicContact CG1-CE2 4.32Å; V69-F84 HydrophobicContact CG1-CG 3.83Å; V69-F84 HydrophobicContact CG2-CD2 4.19Å; V69-F84 HydrophobicContact CG2-CE2 3.89Å; V69-F84 HydrophobicContact CG2-CZ 4.29Å; V69-V88 HydrophobicContact CG1-CG1 4.46Å; V69-Y119 HydrophobicContact CG2-CD1 4.27Å; V69-Y119 HydrophobicContact CG2-CE1 3.97Å |
| 70 | A | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 151.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | W58 S79 I80 F90 | W58-A70 HydrophobicContact CB-CB 4.42Å; W58-A70 PolarHBondContact N-O 2.81Å; W58-A70 PolarHBondContact O-N 3.34Å; A70-S79 CarbonylContact C-O 3.59Å; A70-S79 VanDerWaalsContact CA-O 3.29Å; A70-S79 WeakPolarHBondContact CA-O 3.44Å; A70-I80 HydrophobicContact CB-CB 4.48Å; A70-I80 HydrophobicContact CB-CG1 3.99Å; A70-I80 HydrophobicContact CB-CG2 4.44Å; A70-F90 HydrophobicContact CB-CE2 3.78Å; A70-F90 HydrophobicContact CB-CZ 3.86Å |
| 71 | T | 95.6 | Very high | 91.8 | Very high | 25 Ų | 25 | 61.2 Ų | 61.2 | 15% | 0.153 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.7 | 179.9 | -57 | 0 | 0 | 0 | 0 | 109 | Q55 V56 V78 S79 | Q55-T71 HydrophobicContact CG-CG2 3.46Å; Q55-T71 VanDerWaalsContact CG-CG2 3.46Å; V56-T71 CarbonylContact O-C 3.46Å; V56-T71 WeakPolarHBondContact O-CA 3.31Å; T71-V78 WeakPolarHBondContact O-CA 3.37Å; T71-S79 PolarHBondContact N-O 3.05Å; T71-S79 PolarHBondContact O-N 2.93Å |
| 72 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109 | Q55 V56 V78 F90 L96 M101 | Q55-A72 CarbonylContact C-O 3.5Å; Q55-A72 WeakPolarHBondContact CA-O 3.29Å; V56-A72 PolarHBondContact N-O 2.73Å; V56-A72 PolarHBondContact O-N 2.83Å; A72-V78 HydrophobicContact CB-CG2 4.35Å; A72-F90 HydrophobicContact CB-CE1 4.12Å; A72-F90 HydrophobicContact CB-CE2 4.36Å; A72-F90 HydrophobicContact CB-CZ 3.89Å; A72-L96 HydrophobicContact CB-CD1 4.09Å; A72-M101 HydrophobicContact CB-CE 4.05Å |
| 73 | N | 92.3 | Very high | 91.9 | Very high | 24 Ų | 24 | 64.9 Ų | 64.9 | 13% | 0.128 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 134.5 | 179.6 | 179.3 | -66.5 | 0 | 0 | 0 | 109 | S54 T75 L76 G77 M101 | S54-N73 PolarHBondContact O-ND2 2.78Å; N73-T75 VanDerWaalsContact C-N 3.27Å; N73-T75 PolarHBondContact O-N 3.4Å; N73-T75 PolarHBondContact OD1-N 3.5Å; N73-T75 PolarHBondContact OD1-OG1 2.8Å; N73-T75 VanDerWaalsContact OD1-OG1 3.08Å; N73-L76 HydrophobicContact CB-CB 4.06Å; N73-L76 PolarHBondContact OD1-N 2.89Å; N73-G77 PolarHBondContact N-O 3.16Å; N73-G77 WeakPolarHBondContact O-CA 3.46Å; N73-G77 PolarHBondContact O-N 2.59Å; N73-M101 VanDerWaalsContact C-CE 3.47Å |
| 74 | P | 87.5 | Confident | 92.4 | Very high | 25 Ų | 25 | 57 Ų | 57 | 16% | 0.162 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34.9 | -175.8 | -23.9 | 31.9 | 0 | 0 | 0 | 114.3 | I53 S54 H99 M101 | I53-P74 WeakPolarHBondContact O-CG 3.41Å; S54-P74 WeakPolarHBondContact O-CD 2.84Å; P74-H99 PolarHBondContact O-CE1 3.38Å; P74-H99 PolarHBondContact O-ND1 2.59Å; P74-M101 HydrophobicContact CB-CE 4.5Å; P74-M101 HydrophobicContact CG-CE 4.22Å; P74-M101 HydrophobicContact CG-SD 3.71Å |
| 75 | T | 87 | Confident | 92.7 | Very high | 122 Ų | 122 | 60.6 Ų | 60.6 | 75% | 0.748 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -33.6 | -175.9 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | N73 | N73-T75 VanDerWaalsContact C-N 3.27Å; N73-T75 PolarHBondContact O-N 3.4Å; N73-T75 PolarHBondContact OD1-N 3.5Å; N73-T75 PolarHBondContact OD1-OG1 2.8Å; N73-T75 VanDerWaalsContact OD1-OG1 3.08Å |
| 76 | L | 88.3 | Confident | 92.7 | Very high | 149 Ų | 149 | 65 Ų | 65 | 78% | 0.78 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -7.6 | -179.8 | -56.2 | 177.2 | 0 | 0 | 0 | 113.5 | N73 | N73-L76 HydrophobicContact CB-CB 4.06Å; N73-L76 PolarHBondContact OD1-N 2.89Å |
| 77 | G | 88.3 | Confident | 92.7 | Very high | 33 Ų | 33 | 61.6 Ų | 61.6 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.9 | -145.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N73 | N73-G77 PolarHBondContact N-O 3.16Å; N73-G77 WeakPolarHBondContact O-CA 3.46Å; N73-G77 PolarHBondContact O-N 2.59Å |
| 78 | V | 91.9 | Very high | 92.8 | Very high | 65 Ų | 65 | 58.2 Ų | 58.2 | 39% | 0.394 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 133 | -174 | 164.4 | 0 | 0 | 0 | 0 | 110.6 | T71 A72 I80 F90 L96 | T71-V78 WeakPolarHBondContact O-CA 3.37Å; A72-V78 HydrophobicContact CB-CG2 4.35Å; V78-I80 HydrophobicContact CG1-CD1 4.11Å; V78-I80 HydrophobicContact CG1-CG1 4.16Å; V78-F90 HydrophobicContact CB-CD2 4.44Å; V78-F90 HydrophobicContact CG1-CD2 3.58Å; V78-F90 HydrophobicContact CG1-CE2 3.7Å; V78-F90 HydrophobicContact CG2-CD2 3.95Å; V78-F90 HydrophobicContact CG2-CE2 4.21Å; V78-L96 HydrophobicContact CG2-CD1 3.88Å |
| 79 | S | 93.2 | Very high | 92.7 | Very high | 62 Ų | 62 | 56.2 Ų | 56.2 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.9 | 171 | -176.1 | 0 | 0 | 0 | 0 | 110 | A70 T71 | A70-S79 CarbonylContact C-O 3.59Å; A70-S79 VanDerWaalsContact CA-O 3.29Å; A70-S79 WeakPolarHBondContact CA-O 3.44Å; T71-S79 PolarHBondContact N-O 3.05Å; T71-S79 PolarHBondContact O-N 2.93Å |
| 80 | I | 95.1 | Very high | 92.7 | Very high | 39 Ų | 39 | 57 Ų | 57 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.4 | 176.4 | -57.4 | 144.8 | 0 | 0 | 0 | 107.3 | A70 V78 F84 V88 | A70-I80 HydrophobicContact CB-CB 4.48Å; A70-I80 HydrophobicContact CB-CG1 3.99Å; A70-I80 HydrophobicContact CB-CG2 4.44Å; V78-I80 HydrophobicContact CG1-CD1 4.11Å; V78-I80 HydrophobicContact CG1-CG1 4.16Å; I80-F84 HydrophobicContact CG2-CB 3.97Å; I80-V88 VanDerWaalsContact CD1-O 3.32Å; I80-V88 WeakPolarHBondContact CD1-O 3.44Å; I80-V88 HydrophobicContact CG2-CB 4.42Å |
| 81 | L | 94.6 | Very high | 92.5 | Very high | 70 Ų | 70 | 62.2 Ų | 62.2 | 37% | 0.366 | 35% | 0.35 | S | S | . | . | trans | -91.1 | 153.3 | -172.1 | -59.2 | -179.5 | 0 | 0 | 0 | 111.6 | N68 V69 F84 K85 | N68-L81 HydrophobicContact CB-CD1 3.56Å; V69-L81 PolarHBondContact O-N 2.91Å; L81-F84 WeakPolarHBondContact O-CA 3.29Å; L81-F84 WeakPolarHBondContact O-CB 3.37Å; L81-F84 PolarHBondContact O-N 3.16Å; L81-K85 PolarHBondContact O-N 3.24Å | ||
| 82 | S | 92.1 | Very high | 92.2 | Very high | 92 Ų | 92 | 65.1 Ų | 65.1 | 64% | 0.643 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 140.6 | 171.6 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 83 | P | 92.6 | Very high | 91.6 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 54% | 0.539 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -92.5 | 20.4 | 7.9 | 38.2 | -38.5 | 0 | 0 | 0 | 115 | ||
| 84 | F | 94.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 0% | 0.004 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -15.4 | -173 | -55.4 | -73.9 | 0 | 0 | 0 | 114.4 | K60 V69 I80 L81 E86 R87 V88 F108 | K60-F84 HydrophobicContact CD-CZ 3.92Å; V69-F84 HydrophobicContact CB-CD2 4.21Å; V69-F84 HydrophobicContact CB-CE2 4.42Å; V69-F84 HydrophobicContact CG1-CB 4.18Å; V69-F84 HydrophobicContact CG1-CD1 4.3Å; V69-F84 HydrophobicContact CG1-CD2 3.84Å; V69-F84 HydrophobicContact CG1-CE2 4.32Å; V69-F84 HydrophobicContact CG1-CG 3.83Å; V69-F84 HydrophobicContact CG2-CD2 4.19Å; V69-F84 HydrophobicContact CG2-CE2 3.89Å; V69-F84 HydrophobicContact CG2-CZ 4.29Å; I80-F84 HydrophobicContact CG2-CB 3.97Å; L81-F84 WeakPolarHBondContact O-CA 3.29Å; L81-F84 WeakPolarHBondContact O-CB 3.37Å; L81-F84 PolarHBondContact O-N 3.16Å; F84-E86 PolarHBondContact O-N 3.14Å; F84-R87 PolarHBondContact O-N 3.2Å; F84-V88 HydrophobicContact CB-CB 4.07Å; F84-V88 HydrophobicContact CB-CG2 3.8Å; F84-V88 HydrophobicContact CD1-CG2 3.94Å; F84-V88 HydrophobicContact CG-CG2 4.27Å; F84-V88 PolarHBondContact O-N 2.76Å; F84-F108 HydrophobicContact CD1-CE1 4.21Å; F84-F108 HydrophobicContact CE1-CE1 4.34Å |
| 85 | K | 91.4 | Very high | 90.8 | Very high | 145 Ų | 145 | 68 Ų | 68 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.1 | -36.6 | -171.2 | -168.7 | 179.7 | 179.3 | -174.1 | 0 | 116.4 | L81 | L81-K85 PolarHBondContact O-N 3.24Š|
| 86 | E | 91 | Very high | 90.5 | Very high | 186 Ų | 186 | 62.4 Ų | 62.4 | 87% | 0.869 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -9.5 | -177.9 | -64.3 | 176.2 | -178.7 | 0 | 0 | 113.7 | F84 | F84-E86 PolarHBondContact O-N 3.14Š|
| 87 | R | 94.6 | Very high | 89.9 | Confident | 28 Ų | 28 | 62.5 Ų | 62.5 | 11% | 0.106 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -14.3 | -171 | -56.8 | -169.3 | -56.5 | 113.8 | -1.7 | 114.1 | F84 F108 S109 N110 D115 | F84-R87 PolarHBondContact O-N 3.2Å; R87-F108 CarbonylContact O-C 3.41Å; R87-F108 VanDerWaalsContact O-CA 3.32Å; R87-F108 WeakPolarHBondContact O-CA 3.48Å; R87-S109 PolarHBondContact O-N 3.03Å; R87-N110 PolarHBondContact NH1-O 2.88Å; R87-D115 IonicContact CZ-OD1 2.79Å; R87-D115 IonicContact CZ-OD2 3.43Å; R87-D115 IonicContact NH1-OD1 2.81Å; R87-D115 IonicContact NH1-OD2 3.66Å; R87-D115 PolarHBondContact NH1-OD2 2.86Å; R87-D115 IonicContact NH2-OD1 3.58Å; R87-D115 PolarHBondContact NH2-OD1 3.04Å; R87-D115 IonicContact NH2-OD2 2.69Å; R87-D115 PolarHBondContact NH2-OD2 2.99Å |
| 88 | V | 95.8 | Very high | 89.5 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 4% | 0.036 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 133 | -179.3 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | V69 I80 F84 I106 V107 F108 | V69-V88 HydrophobicContact CG1-CG1 4.46Å; I80-V88 VanDerWaalsContact CD1-O 3.32Å; I80-V88 WeakPolarHBondContact CD1-O 3.44Å; I80-V88 HydrophobicContact CG2-CB 4.42Å; F84-V88 HydrophobicContact CB-CB 4.07Å; F84-V88 HydrophobicContact CB-CG2 3.8Å; F84-V88 HydrophobicContact CD1-CG2 3.94Å; F84-V88 HydrophobicContact CG-CG2 4.27Å; F84-V88 PolarHBondContact O-N 2.76Å; V88-I106 HydrophobicContact CG1-CB 4.03Å; V88-I106 HydrophobicContact CG1-CD1 4.04Å; V88-I106 HydrophobicContact CG1-CG2 4.41Å; V88-V107 VanDerWaalsContact CA-O 3.29Å; V88-V107 WeakPolarHBondContact CA-O 2.98Å; V88-F108 HydrophobicContact CG2-CD1 3.66Å; V88-F108 HydrophobicContact CG2-CD2 4.35Å; V88-F108 HydrophobicContact CG2-CE1 3.53Å; V88-F108 HydrophobicContact CG2-CE2 4.22Å; V88-F108 HydrophobicContact CG2-CG 4.06Å; V88-F108 HydrophobicContact CG2-CZ 3.82Å |
| 89 | G | 94.9 | Very high | 88.9 | Confident | 26 Ų | 26 | 71.6 Ų | 71.6 | 27% | 0.268 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 158.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I106 V107 | G89-I106 CarbonylContact O-C 3.49Å; G89-I106 WeakPolarHBondContact O-CA 3.42Å; G89-V107 PolarHBondContact N-O 2.71Å; G89-V107 PolarHBondContact O-N 2.76Å |
| 90 | F | 95.1 | Very high | 88.4 | Confident | 15 Ų | 15 | 73.8 Ų | 73.8 | 7% | 0.066 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 129.3 | 172.2 | -72.6 | -88.9 | 0 | 0 | 0 | 110.3 | W58 A70 A72 V78 Q92 A93 L96 I106 | W58-F90 AromaticContact CD1-CE1 3.85Å; A70-F90 HydrophobicContact CB-CE2 3.78Å; A70-F90 HydrophobicContact CB-CZ 3.86Å; A72-F90 HydrophobicContact CB-CE1 4.12Å; A72-F90 HydrophobicContact CB-CE2 4.36Å; A72-F90 HydrophobicContact CB-CZ 3.89Å; V78-F90 HydrophobicContact CB-CD2 4.44Å; V78-F90 HydrophobicContact CG1-CD2 3.58Å; V78-F90 HydrophobicContact CG1-CE2 3.7Å; V78-F90 HydrophobicContact CG2-CD2 3.95Å; V78-F90 HydrophobicContact CG2-CE2 4.21Å; F90-Q92 PolarHBondContact O-N 2.71Å; F90-A93 PolarHBondContact O-N 2.86Å; F90-L96 HydrophobicContact CB-CD1 3.59Å; F90-L96 HydrophobicContact CD1-CD1 3.68Å; F90-L96 HydrophobicContact CD2-CD1 4.16Å; F90-L96 HydrophobicContact CE1-CD1 4.38Å; F90-L96 HydrophobicContact CG-CD1 3.53Å; F90-I106 HydrophobicContact CD1-CG2 3.72Å; F90-I106 HydrophobicContact CE1-CG2 3.69Å; F90-I106 HydrophobicContact CG-CG2 4.2Å; F90-I106 HydrophobicContact CZ-CG2 4.15Å |
| 91 | K | 93.1 | Very high | 87.9 | Confident | 110 Ų | 110 | 72 Ų | 72 | 48% | 0.478 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -40.1 | -178.7 | -175.2 | 169.8 | -178.8 | 161.3 | 0 | 112.5 | E39 T105 V107 | E39-K91 WeakPolarHBondContact OE1-CD 3.42Å; E39-K91 VanDerWaalsContact OE1-CE 3.28Å; E39-K91 WeakPolarHBondContact OE1-CE 3.46Å; E39-K91 IonicContact OE1-NZ 2.79Å; E39-K91 PolarHBondContact OE1-NZ 2.91Å; E39-K91 IonicContact OE2-NZ 3.11Å; E39-K91 PolarHBondContact OE2-NZ 3.31Å; K91-T105 HydrophobicContact CB-CG2 4.15Å; K91-T105 WeakPolarHBondContact CB-O 3.33Å; K91-T105 HydrophobicContact CD-CG2 4.01Å; K91-T105 PolarHBondContact N-O 2.97Å; K91-V107 HydrophobicContact CB-CG2 3.79Å; K91-V107 HydrophobicContact CG-CG2 4.29Å |
| 92 | Q | 88.8 | Confident | 87.6 | Confident | 86 Ų | 86 | 73.5 Ų | 73.5 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 43.2 | -177.2 | -53.7 | -155.4 | 46.1 | 0 | 0 | 112.4 | F90 A94 A95 L96 D103 | F90-Q92 PolarHBondContact O-N 2.71Å; Q92-A94 PolarHBondContact O-N 3.37Å; Q92-A95 HydrophobicContact CB-CB 3.93Å; Q92-A95 WeakPolarHBondContact O-CA 3.25Å; Q92-A95 WeakPolarHBondContact O-CB 3.48Å; Q92-A95 PolarHBondContact O-N 2.76Å; Q92-L96 PolarHBondContact O-N 3.25Å; Q92-D103 PolarHBondContact NE2-OD2 2.83Å |
| 93 | A | 82.9 | Confident | 87.7 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -50.2 | -36 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F90 L96 Q97 | F90-A93 PolarHBondContact O-N 2.86Å; A93-L96 PolarHBondContact O-N 2.79Å; A93-Q97 WeakPolarHBondContact O-CG 3.4Å; A93-Q97 PolarHBondContact O-N 2.9Å |
| 94 | A | 81.1 | Confident | 87.7 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74.6 | -19 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q92 R98 | Q92-A94 PolarHBondContact O-N 3.37Å; A94-R98 PolarHBondContact O-NH1 2.93Å |
| 95 | A | 80.6 | Confident | 87.8 | Confident | 15 Ų | 15 | 67 Ų | 67 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -79.4 | -41.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q92 Q97 R98 H99 Q100 | Q92-A95 HydrophobicContact CB-CB 3.93Å; Q92-A95 WeakPolarHBondContact O-CA 3.25Å; Q92-A95 WeakPolarHBondContact O-CB 3.48Å; Q92-A95 PolarHBondContact O-N 2.76Å; A95-Q97 VanDerWaalsContact C-N 3.27Å; A95-Q97 PolarHBondContact O-N 2.81Å; A95-R98 CarbonylContact O-C 3.53Å; A95-R98 WeakPolarHBondContact O-CA 3.32Å; A95-R98 WeakPolarHBondContact O-CB 3.46Å; A95-R98 PolarHBondContact O-N 3.19Å; A95-H99 PolarHBondContact O-N 2.85Å; A95-Q100 CarbonylContact C-O 3.46Å; A95-Q100 HydrophobicContact CB-CB 4.2Å; A95-Q100 PolarHBondContact O-N 2.89Å; A95-Q100 VanDerWaalsContact O-N 3.08Å |
| 96 | L | 80.9 | Confident | 88.1 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -38.6 | 174.8 | -56.7 | 178.1 | 0 | 0 | 0 | 112.1 | A72 V78 F90 Q92 A93 R98 H99 Q100 M101 T104 | A72-L96 HydrophobicContact CB-CD1 4.09Å; V78-L96 HydrophobicContact CG2-CD1 3.88Å; F90-L96 HydrophobicContact CB-CD1 3.59Å; F90-L96 HydrophobicContact CD1-CD1 3.68Å; F90-L96 HydrophobicContact CD2-CD1 4.16Å; F90-L96 HydrophobicContact CE1-CD1 4.38Å; F90-L96 HydrophobicContact CG-CD1 3.53Å; Q92-L96 PolarHBondContact O-N 3.25Å; A93-L96 PolarHBondContact O-N 2.79Å; L96-R98 PolarHBondContact O-N 3.29Å; L96-H99 PolarHBondContact O-N 2.93Å; L96-H99 VanDerWaalsContact O-N 3.1Å; L96-Q100 PolarHBondContact N-O 2.91Å; L96-M101 HydrophobicContact CB-CE 4.2Å; L96-M101 HydrophobicContact CD2-CB 4.42Å; L96-M101 HydrophobicContact CD2-CE 4.26Å; L96-M101 HydrophobicContact CD2-CG 4.01Å; L96-T104 HydrophobicContact CD2-CG2 3.89Å |
| 97 | Q | 75.4 | Confident | 88.4 | Confident | 152 Ų | 152 | 52 Ų | 52 | 71% | 0.71 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.8 | 172.5 | -73.7 | 175 | -10.6 | 0 | 0 | 113.9 | A93 A95 H99 | A93-Q97 WeakPolarHBondContact O-CG 3.4Å; A93-Q97 PolarHBondContact O-N 2.9Å; A95-Q97 VanDerWaalsContact C-N 3.27Å; A95-Q97 PolarHBondContact O-N 2.81Å; Q97-H99 VanDerWaalsContact C-N 3.32Å |
| 98 | R | 79.8 | Confident | 88.5 | Confident | 166 Ų | 166 | 50.7 Ų | 50.7 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 17.8 | 174.2 | -64.3 | -179.6 | 178.8 | 91.7 | -8.4 | 112.4 | A94 A95 L96 Q100 | A94-R98 PolarHBondContact O-NH1 2.93Å; A95-R98 CarbonylContact O-C 3.53Å; A95-R98 WeakPolarHBondContact O-CA 3.32Å; A95-R98 WeakPolarHBondContact O-CB 3.46Å; A95-R98 PolarHBondContact O-N 3.19Å; L96-R98 PolarHBondContact O-N 3.29Å; R98-Q100 PolarHBondContact O-N 3.13Å; R98-Q100 VanDerWaalsContact O-N 3.16Å |
| 99 | H | 79.3 | Confident | 88.5 | Confident | 123 Ų | 123 | 53.9 Ų | 53.9 | 57% | 0.569 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 14.3 | -176.7 | -43.1 | -56.9 | 0 | 0 | 0 | 115.5 | P74 A95 L96 Q97 M101 | P74-H99 PolarHBondContact O-CE1 3.38Å; P74-H99 PolarHBondContact O-ND1 2.59Å; A95-H99 PolarHBondContact O-N 2.85Å; L96-H99 PolarHBondContact O-N 2.93Å; L96-H99 VanDerWaalsContact O-N 3.1Å; Q97-H99 VanDerWaalsContact C-N 3.32Å; H99-M101 PolarHBondContact O-N 2.8Å |
| 100 | Q | 83.6 | Confident | 88.5 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | trans | -85.6 | 105.9 | 172 | -66.7 | 169.6 | 27.1 | 0 | 0 | 107.6 | A95 L96 R98 E102 | A95-Q100 CarbonylContact C-O 3.46Å; A95-Q100 HydrophobicContact CB-CB 4.2Å; A95-Q100 PolarHBondContact O-N 2.89Å; A95-Q100 VanDerWaalsContact O-N 3.08Å; L96-Q100 PolarHBondContact N-O 2.91Å; R98-Q100 PolarHBondContact O-N 3.13Å; R98-Q100 VanDerWaalsContact O-N 3.16Å; Q100-E102 VanDerWaalsContact C-OE2 3.31Å; Q100-E102 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 101 | M | 85.1 | Confident | 88.5 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | trans | -118.6 | 11.1 | -171.5 | -64.5 | -154.2 | 152.6 | 0 | 0 | 113.5 | I53 A72 N73 P74 L96 H99 D103 Y123 | I53-M101 HydrophobicContact CB-CB 4.48Å; I53-M101 HydrophobicContact CD1-CB 4.05Å; I53-M101 HydrophobicContact CG2-CB 4.16Å; I53-M101 HydrophobicContact CG2-SD 4.35Å; A72-M101 HydrophobicContact CB-CE 4.05Å; N73-M101 VanDerWaalsContact C-CE 3.47Å; P74-M101 HydrophobicContact CB-CE 4.5Å; P74-M101 HydrophobicContact CG-CE 4.22Å; P74-M101 HydrophobicContact CG-SD 3.71Å; L96-M101 HydrophobicContact CB-CE 4.2Å; L96-M101 HydrophobicContact CD2-CB 4.42Å; L96-M101 HydrophobicContact CD2-CE 4.26Å; L96-M101 HydrophobicContact CD2-CG 4.01Å; H99-M101 PolarHBondContact O-N 2.8Å; M101-D103 VanDerWaalsContact C-N 3.29Å; M101-D103 PolarHBondContact O-N 3.48Å; M101-Y123 VanDerWaalsContact O-CE1 3.25Å; M101-Y123 WeakPolarHBondContact O-CE1 3.4Å; M101-Y123 PolarHBondContact O-OH 2.86Å; M101-Y123 VanDerWaalsContact O-OH 3.09Å | ||
| 102 | E | 88.3 | Confident | 88.6 | Confident | 101 Ų | 101 | 53.8 Ų | 53.8 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -62.1 | -36.2 | -180 | -63.7 | 75.8 | -169.4 | 0 | 0 | 111.7 | I43 F44 Q100 Y123 | I43-E102 CarbonylContact C-O 3.51Å; I43-E102 VanDerWaalsContact CA-O 3.25Å; I43-E102 WeakPolarHBondContact CA-O 3.2Å; I43-E102 WeakPolarHBondContact CG2-O 3.24Å; F44-E102 PolarHBondContact N-O 2.89Å; Q100-E102 VanDerWaalsContact C-OE2 3.31Å; Q100-E102 WeakPolarHBondContact CA-OE2 3.49Å; E102-Y123 PolarHBondContact O-OH 3.35Å; E102-Y123 VanDerWaalsContact O-OH 3.14Å |
| 103 | D | 92.3 | Very high | 88.9 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -114.8 | 114.4 | 172.4 | -176.9 | 0.6 | 0 | 0 | 0 | 110.9 | I43 Q92 M101 T105 | I43-D103 HydrophobicContact CD1-CB 4.48Å; I43-D103 HydrophobicContact CG1-CB 4.15Å; Q92-D103 PolarHBondContact NE2-OD2 2.83Å; M101-D103 VanDerWaalsContact C-N 3.29Å; M101-D103 PolarHBondContact O-N 3.48Å; D103-T105 WeakPolarHBondContact OD1-CB 2.8Å; D103-T105 PolarHBondContact OD1-N 2.8Å; D103-T105 PolarHBondContact OD1-OG1 2.81Å |
| 104 | T | 94.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | trans | -117.1 | 28.3 | 175.8 | 58 | 0 | 0 | 0 | 0 | 112.9 | C42 V56 W58 L96 I106 Y123 | C42-T104 PolarHBondContact O-N 2.03Å; V56-T104 HydrophobicContact CB-CG2 3.97Å; V56-T104 HydrophobicContact CG1-CG2 3.99Å; V56-T104 WeakPolarHBondContact CG1-OG1 3.48Å; V56-T104 HydrophobicContact CG2-CG2 3.78Å; W58-T104 PolarHBondContact NE1-O 2.7Å; L96-T104 HydrophobicContact CD2-CG2 3.89Å; T104-I106 PolarHBondContact O-N 3.31Å; T104-Y123 HydrophobicContact CG2-CE1 4.38Å; T104-Y123 PolarHBondContact N-OH 2.89Å; T104-Y123 PolarHBondContact OG1-OH 2.98Å | ||
| 105 | T | 96.3 | Very high | 90 | Very high | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | trans | -48.9 | 125.2 | 172.7 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | E39 L40 R41 C42 K91 D103 | E39-T105 HydrophobicContact CB-CG2 4.22Å; L40-T105 WeakPolarHBondContact O-CA 3.43Å; R41-T105 WeakPolarHBondContact CA-OG1 3.27Å; C42-T105 PolarHBondContact N-OG1 2.87Å; C42-T105 PolarHBondContact O-N 2.92Å; K91-T105 HydrophobicContact CB-CG2 4.15Å; K91-T105 WeakPolarHBondContact CB-O 3.33Å; K91-T105 HydrophobicContact CD-CG2 4.01Å; K91-T105 PolarHBondContact N-O 2.97Å; D103-T105 WeakPolarHBondContact OD1-CB 2.8Å; D103-T105 PolarHBondContact OD1-N 2.8Å; D103-T105 PolarHBondContact OD1-OG1 2.81Å | ||
| 106 | I | 96.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 153.2 | 173.3 | 60.7 | 172.5 | 0 | 0 | 0 | 111.3 | E39 L40 W58 V88 G89 F90 T104 F108 | E39-I106 WeakPolarHBondContact CA-O 3.03Å; L40-I106 HydrophobicContact CB-CG1 4.01Å; L40-I106 HydrophobicContact CD1-CD1 4.36Å; L40-I106 PolarHBondContact N-O 2.7Å; L40-I106 PolarHBondContact O-N 2.82Å; W58-I106 HydrophobicContact CB-CD1 4.41Å; W58-I106 HydrophobicContact CD2-CD1 3.57Å; W58-I106 HydrophobicContact CD2-CG1 3.95Å; W58-I106 HydrophobicContact CD2-CG2 4.36Å; W58-I106 HydrophobicContact CE3-CD1 3.69Å; W58-I106 HydrophobicContact CE3-CG1 4.24Å; W58-I106 HydrophobicContact CG-CD1 3.93Å; W58-I106 HydrophobicContact CG-CG1 4.49Å; W58-I106 HydrophobicContact CG-CG2 4.16Å; W58-I106 HydrophobicContact CH2-CD1 4.32Å; W58-I106 HydrophobicContact CH2-CG1 4Å; W58-I106 HydrophobicContact CZ2-CD1 4.24Å; W58-I106 HydrophobicContact CZ2-CG1 3.71Å; W58-I106 HydrophobicContact CZ2-CG2 4.5Å; W58-I106 HydrophobicContact CZ3-CD1 4.08Å; W58-I106 HydrophobicContact CZ3-CG1 4.27Å; V88-I106 HydrophobicContact CG1-CB 4.03Å; V88-I106 HydrophobicContact CG1-CD1 4.04Å; V88-I106 HydrophobicContact CG1-CG2 4.41Å; G89-I106 CarbonylContact O-C 3.49Å; G89-I106 WeakPolarHBondContact O-CA 3.42Å; F90-I106 HydrophobicContact CD1-CG2 3.72Å; F90-I106 HydrophobicContact CE1-CG2 3.69Å; F90-I106 HydrophobicContact CG-CG2 4.2Å; F90-I106 HydrophobicContact CZ-CG2 4.15Å; T104-I106 PolarHBondContact O-N 3.31Å; I106-F108 HydrophobicContact CD1-CE2 4.02Å |
| 107 | V | 96.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.6 | -178.6 | -174.1 | 0 | 0 | 0 | 0 | 108.2 | Q37 V38 E39 V88 G89 K91 | Q37-V107 HydrophobicContact CG-CG1 3.53Å; V38-V107 WeakPolarHBondContact O-CA 3.45Å; E39-V107 HydrophobicContact CG-CG1 4.43Å; E39-V107 HydrophobicContact CG-CG2 4.12Å; V88-V107 VanDerWaalsContact CA-O 3.29Å; V88-V107 WeakPolarHBondContact CA-O 2.98Å; G89-V107 PolarHBondContact N-O 2.71Å; G89-V107 PolarHBondContact O-N 2.76Å; K91-V107 HydrophobicContact CB-CG2 3.79Å; K91-V107 HydrophobicContact CG-CG2 4.29Å |
| 108 | F | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 119.6 | 163.7 | -75 | -103.8 | 0 | 0 | 0 | 107.9 | Q37 V38 L40 F84 R87 V88 I106 L111 D115 Y119 L137 | Q37-F108 CarbonylContact C-O 3.54Å; Q37-F108 WeakPolarHBondContact CA-O 3.04Å; Q37-F108 WeakPolarHBondContact CG-O 3.39Å; V38-F108 PolarHBondContact N-O 2.83Å; V38-F108 PolarHBondContact O-N 3.28Å; L40-F108 HydrophobicContact CD1-CD2 4.44Å; L40-F108 HydrophobicContact CD1-CE2 3.74Å; L40-F108 HydrophobicContact CG-CD2 4.41Å; L40-F108 HydrophobicContact CG-CE2 4.18Å; F84-F108 HydrophobicContact CD1-CE1 4.21Å; F84-F108 HydrophobicContact CE1-CE1 4.34Å; R87-F108 CarbonylContact O-C 3.41Å; R87-F108 VanDerWaalsContact O-CA 3.32Å; R87-F108 WeakPolarHBondContact O-CA 3.48Å; V88-F108 HydrophobicContact CG2-CD1 3.66Å; V88-F108 HydrophobicContact CG2-CD2 4.35Å; V88-F108 HydrophobicContact CG2-CE1 3.53Å; V88-F108 HydrophobicContact CG2-CE2 4.22Å; V88-F108 HydrophobicContact CG2-CG 4.06Å; V88-F108 HydrophobicContact CG2-CZ 3.82Å; I106-F108 HydrophobicContact CD1-CE2 4.02Å; F108-L111 HydrophobicContact CD1-CD1 4.29Å; F108-L111 HydrophobicContact CG-CD1 4.44Å; F108-D115 HydrophobicContact CE1-CB 4.2Å; F108-Y119 HydrophobicContact CE2-CE1 4.4Å; F108-Y119 AromaticContact CZ-CE1 3.7Å; F108-Y119 HydrophobicContact CZ-CE1 3.7Å; F108-Y119 AromaticContact CZ-CZ 3.7Å; F108-L137 HydrophobicContact CE2-CD2 4.42Å |
| 109 | S | 95.3 | Very high | 93.2 | Very high | 73 Ų | 73 | 40 Ų | 40 | 51% | 0.51 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -79.2 | -31.4 | 178 | -51.3 | 0 | 0 | 0 | 0 | 112.8 | R87 | R87-S109 PolarHBondContact O-N 3.03Š|
| 110 | N | 94.9 | Very high | 94.1 | Very high | 75 Ų | 75 | 34.5 Ų | 34.5 | 40% | 0.401 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -144.6 | 97.1 | -179.6 | 177.6 | -0.4 | 0 | 0 | 0 | 109.2 | G35 R87 | G35-N110 WeakPolarHBondContact CA-OD1 3.38Å; R87-N110 PolarHBondContact NH1-O 2.88Å |
| 111 | L | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -72.7 | 134.3 | -178.2 | -172 | 67.5 | 0 | 0 | 0 | 112.3 | V34 G35 T36 V38 F108 D115 L137 V139 | V34-L111 CarbonylContact C-O 3.38Å; V34-L111 VanDerWaalsContact CA-O 3.31Å; V34-L111 WeakPolarHBondContact CA-O 3.38Å; G35-L111 PolarHBondContact N-O 2.79Å; T36-L111 WeakPolarHBondContact O-CB 3.39Å; T36-L111 PolarHBondContact O-N 2.87Å; T36-L111 VanDerWaalsContact O-N 3.15Å; V38-L111 HydrophobicContact CG2-CD2 3.89Å; F108-L111 HydrophobicContact CD1-CD1 4.29Å; F108-L111 HydrophobicContact CG-CD1 4.44Å; L111-D115 HydrophobicContact CD1-CB 3.84Å; L111-L137 HydrophobicContact CD1-CD2 3.87Å; L111-L137 HydrophobicContact CD1-CG 4.49Å; L111-V139 HydrophobicContact CD1-CG2 4.02Å; L111-V139 HydrophobicContact CD2-CB 4.42Å; L111-V139 HydrophobicContact CD2-CG1 3.93Å; L111-V139 HydrophobicContact CD2-CG2 4Å; L111-V139 HydrophobicContact CG-CG1 4Å; L111-V139 HydrophobicContact CG-CG2 3.97Å | ||
| 112 | Q | 95.1 | Very high | 95.3 | Very high | 74 Ų | 74 | 31 Ų | 31 | 35% | 0.346 | 17% | 0.172 | S | C | . | . | trans | -116.7 | 156.1 | 178.9 | -64.1 | 178.1 | 0.7 | 0 | 0 | 111.3 | S114 D115 | Q112-S114 PolarHBondContact O-N 2.54Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.17Å; Q112-D115 PolarHBondContact N-OD2 2.69Å; Q112-D115 WeakPolarHBondContact O-CB 3.33Å; Q112-D115 PolarHBondContact O-N 3.44Å | ||
| 113 | L | 94.8 | Very high | 95.6 | Very high | 42 Ų | 42 | 26.2 Ų | 26.2 | 22% | 0.22 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -56.7 | -35.2 | 176.6 | -72.4 | 168.7 | 0 | 0 | 0 | 112.9 | V34 D115 E116 V139 A141 K174 N198 T200 | V34-L113 HydrophobicContact CG2-CD2 3.78Å; V34-L113 HydrophobicContact CG2-CG 3.72Å; L113-D115 PolarHBondContact O-N 2.89Å; L113-E116 WeakPolarHBondContact O-CB 2.98Å; L113-E116 PolarHBondContact O-N 2.85Å; L113-V139 HydrophobicContact CD2-CG1 4.21Å; L113-A141 HydrophobicContact CD2-CB 4.33Å; L113-K174 HydrophobicContact CD2-CD 4.05Å; L113-N198 HydrophobicContact CD1-CB 4.25Å; L113-T200 HydrophobicContact CD1-CG2 3.63Å; L113-T200 HydrophobicContact CD2-CG2 4.26Å |
| 114 | S | 93.4 | Very high | 95.7 | Very high | 76 Ų | 76 | 25.9 Ų | 25.9 | 53% | 0.531 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -68.5 | -14.3 | 176.5 | 48 | 0 | 0 | 0 | 0 | 113.9 | K60 Q112 E116 | K60-S114 PolarHBondContact NZ-O 3.5Å; Q112-S114 PolarHBondContact O-N 2.54Å; S114-E116 VanDerWaalsContact C-N 3.26Å |
| 115 | D | 94.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.011 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -79.8 | -6.3 | 174.9 | -59.9 | -42.2 | 0 | 0 | 0 | 112.6 | R87 F108 L111 Q112 L113 A117 Y119 | R87-D115 IonicContact CZ-OD1 2.79Å; R87-D115 IonicContact CZ-OD2 3.43Å; R87-D115 IonicContact NH1-OD1 2.81Å; R87-D115 IonicContact NH1-OD2 3.66Å; R87-D115 PolarHBondContact NH1-OD2 2.86Å; R87-D115 IonicContact NH2-OD1 3.58Å; R87-D115 PolarHBondContact NH2-OD1 3.04Å; R87-D115 IonicContact NH2-OD2 2.69Å; R87-D115 PolarHBondContact NH2-OD2 2.99Å; F108-D115 HydrophobicContact CE1-CB 4.2Å; L111-D115 HydrophobicContact CD1-CB 3.84Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.17Å; Q112-D115 PolarHBondContact N-OD2 2.69Å; Q112-D115 WeakPolarHBondContact O-CB 3.33Å; Q112-D115 PolarHBondContact O-N 3.44Å; L113-D115 PolarHBondContact O-N 2.89Å; D115-A117 PolarHBondContact O-N 3.24Å; D115-A117 VanDerWaalsContact O-N 3.1Å; D115-Y119 VanDerWaalsContact O-CE2 3.27Å; D115-Y119 WeakPolarHBondContact O-CE2 3.38Å; D115-Y119 PolarHBondContact O-OH 3.46Å |
| 116 | E | 94.9 | Very high | 95.3 | Very high | 81 Ų | 81 | 33 Ų | 33 | 38% | 0.379 | 18% | 0.18 | S | C | . | . | trans | -63.6 | 112.4 | 174.4 | -179.4 | 165.3 | -134.9 | 0 | 0 | 111.3 | L113 S114 L137 V139 K174 | L113-E116 WeakPolarHBondContact O-CB 2.98Å; L113-E116 PolarHBondContact O-N 2.85Å; S114-E116 VanDerWaalsContact C-N 3.26Å; E116-L137 WeakPolarHBondContact CA-O 3.47Å; E116-V139 HydrophobicContact CB-CB 4.33Å; E116-V139 HydrophobicContact CB-CG2 3.91Å; E116-K174 IonicContact OE1-NZ 3.6Å; E116-K174 PolarHBondContact OE1-NZ 3.27Å; E116-K174 WeakPolarHBondContact OE2-CE 3.27Å; E116-K174 IonicContact OE2-NZ 2.67Å; E116-K174 PolarHBondContact OE2-NZ 3.17Å | ||
| 117 | A | 95.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 37.9 Ų | 37.9 | 13% | 0.132 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | 173.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K60 D115 Y119 L137 | K60-A117 HydrophobicContact CD-CB 4.08Å; K60-A117 HydrophobicContact CG-CB 3.58Å; D115-A117 PolarHBondContact O-N 3.24Å; D115-A117 VanDerWaalsContact O-N 3.1Å; A117-Y119 HydrophobicContact CB-CD2 4.39Å; A117-Y119 HydrophobicContact CB-CE2 3.92Å; A117-L137 PolarHBondContact N-O 3.28Å; A117-L137 PolarHBondContact O-N 3.12Å |
| 118 | A | 96.2 | Very high | 94.5 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 10% | 0.099 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134.3 | 161 | 0 | 0 | 0 | 0 | 0 | 109.5 | L61 M134 V135 N136 | L61-A118 HydrophobicContact CB-CB 4.35Å; L61-A118 PolarHBondContact N-O 3.32Å; A118-M134 HydrophobicContact CB-CE 4.03Å; A118-M134 HydrophobicContact CB-CG 3.92Å; A118-M134 HydrophobicContact CB-SD 3.55Å; A118-M134 VanDerWaalsContact CB-SD 3.55Å; A118-V135 WeakPolarHBondContact CA-O 3.13Å; A118-N136 WeakPolarHBondContact CB-OD1 3.47Å |
| 119 | Y | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 128.4 | 178.3 | -75.1 | -99.1 | 0 | 0 | 0 | 109.8 | L40 Q59 K60 V69 F108 D115 A117 M134 V135 L137 | L40-Y119 HydrophobicContact CD1-CD1 4.19Å; L40-Y119 HydrophobicContact CD1-CD2 4Å; L40-Y119 HydrophobicContact CD1-CG 3.75Å; Q59-Y119 CarbonylContact O-C 3.58Å; Q59-Y119 WeakPolarHBondContact O-CA 3.22Å; K60-Y119 HydrophobicContact CB-CD1 4.16Å; K60-Y119 HydrophobicContact CB-CE1 3.82Å; K60-Y119 HydrophobicContact CD-CE1 4.25Å; K60-Y119 HydrophobicContact CG-CD1 4.47Å; K60-Y119 HydrophobicContact CG-CE1 3.94Å; K60-Y119 HydrophobicContact CG-CE2 4.31Å; V69-Y119 HydrophobicContact CG2-CD1 4.27Å; V69-Y119 HydrophobicContact CG2-CE1 3.97Å; F108-Y119 HydrophobicContact CE2-CE1 4.4Å; F108-Y119 AromaticContact CZ-CE1 3.7Å; F108-Y119 HydrophobicContact CZ-CE1 3.7Å; F108-Y119 AromaticContact CZ-CZ 3.7Å; D115-Y119 VanDerWaalsContact O-CE2 3.27Å; D115-Y119 WeakPolarHBondContact O-CE2 3.38Å; D115-Y119 PolarHBondContact O-OH 3.46Å; A117-Y119 HydrophobicContact CB-CD2 4.39Å; A117-Y119 HydrophobicContact CB-CE2 3.92Å; Y119-M134 CarbonylContact O-C 3.58Å; Y119-M134 VanDerWaalsContact O-CA 3.27Å; Y119-M134 WeakPolarHBondContact O-CA 3.17Å; Y119-M134 WeakPolarHBondContact O-CG 3.44Å; Y119-V135 PolarHBondContact N-O 2.79Å; Y119-V135 PolarHBondContact O-N 3.45Å; Y119-L137 HydrophobicContact CD2-CB 3.97Å; Y119-L137 HydrophobicContact CD2-CD2 4.26Å; Y119-L137 HydrophobicContact CE2-CB 4.05Å; Y119-L137 HydrophobicContact CE2-CD2 3.78Å |
| 120 | I | 97.3 | Very high | 94 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.4 | -179.4 | -58 | 169.6 | 0 | 0 | 0 | 107.9 | W58 Q59 L61 K66 E132 N133 M134 | W58-I120 WeakPolarHBondContact CA-O 3.28Å; Q59-I120 HydrophobicContact CB-CB 4.37Å; Q59-I120 PolarHBondContact N-O 3.22Å; Q59-I120 PolarHBondContact O-N 3.11Å; L61-I120 HydrophobicContact CB-CD1 4.26Å; K66-I120 HydrophobicContact CD-CD1 4.41Å; K66-I120 VanDerWaalsContact CE-CD1 3.47Å; K66-I120 HydrophobicContact CG-CD1 4.42Å; I120-E132 HydrophobicContact CG2-CB 3.88Å; I120-E132 HydrophobicContact CG2-CG 4.27Å; I120-E132 WeakPolarHBondContact CG2-OE2 3.35Å; I120-N133 WeakPolarHBondContact CA-O 3.49Å; I120-M134 HydrophobicContact CD1-SD 4.48Å; I120-M134 HydrophobicContact CG1-CB 4.22Å; I120-M134 HydrophobicContact CG1-CG 3.81Å; I120-M134 HydrophobicContact CG1-SD 4Å |
| 121 | C | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 113 | 171.4 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | M26 C42 W58 E132 N133 | M26-C121 HydrophobicContact CE-CB 3.72Å; M26-C121 HydrophobicContact SD-CB 3.58Å; M26-C121 VanDerWaalsContact SD-CB 3.58Å; C42-C121 HydrophobicContact CB-CB 3.78Å; C42-C121 WeakPolarHBondContact CB-SG 3.43Å; C42-C121 WeakPolarHBondContact SG-CB 3.43Å; C42-C121 CovalentContact SG-SG 2.02Å; C42-C121 PolarHBondContact SG-SG 2.9Å; W58-C121 HydrophobicContact CD2-CB 4Å; W58-C121 HydrophobicContact CE3-CB 4.02Å; W58-C121 HydrophobicContact CH2-CB 4.09Å; W58-C121 HydrophobicContact CZ2-CB 4.04Å; W58-C121 HydrophobicContact CZ3-CB 4.06Å; C121-E132 VanDerWaalsContact O-CA 3.28Å; C121-E132 WeakPolarHBondContact O-CA 3.36Å; C121-N133 PolarHBondContact N-O 3.04Å; C121-N133 PolarHBondContact O-N 3.49Å |
| 122 | E | 97.1 | Very high | 93.9 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.7 | -178.3 | -177.9 | -173.1 | 54.2 | 0 | 0 | 110.5 | V56 T57 T124 N130 E132 | V56-E122 CarbonylContact C-O 3.51Å; V56-E122 VanDerWaalsContact CA-O 3.32Å; V56-E122 WeakPolarHBondContact CA-O 3.34Å; V56-E122 WeakPolarHBondContact CG1-O 3.42Å; T57-E122 PolarHBondContact N-O 2.65Å; T57-E122 PolarHBondContact O-N 3.33Å; E122-T124 HydrophobicContact CG-CG2 4.42Å; E122-N130 HydrophobicContact CG-CB 4.26Å; E122-N130 PolarHBondContact OE2-ND2 3.26Å; E122-E132 HydrophobicContact CB-CB 4.01Å; E122-E132 HydrophobicContact CG-CB 4.25Å |
| 123 | Y | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.6 | 165.4 | -80.8 | -97.9 | 0 | 0 | 0 | 109.7 | V24 C42 F44 I53 V56 M101 E102 T104 N130 R131 | V24-Y123 HydrophobicContact CB-CD2 4.45Å; V24-Y123 HydrophobicContact CG1-CD2 4.01Å; V24-Y123 HydrophobicContact CG1-CE2 4.05Å; V24-Y123 HydrophobicContact CG2-CD2 3.58Å; V24-Y123 HydrophobicContact CG2-CE2 4.33Å; V24-Y123 HydrophobicContact CG2-CG 4.32Å; C42-Y123 VanDerWaalsContact SG-CE2 3.54Å; F44-Y123 HydrophobicContact CB-CD1 3.85Å; F44-Y123 HydrophobicContact CB-CD2 4.29Å; F44-Y123 HydrophobicContact CB-CE1 3.56Å; F44-Y123 HydrophobicContact CB-CE2 3.99Å; F44-Y123 HydrophobicContact CB-CG 4.21Å; F44-Y123 AromaticContact CD2-CD1 3.86Å; F44-Y123 HydrophobicContact CD2-CD1 3.86Å; F44-Y123 HydrophobicContact CD2-CD2 4.12Å; F44-Y123 HydrophobicContact CD2-CE1 4.45Å; F44-Y123 AromaticContact CD2-CG 3.68Å; F44-Y123 HydrophobicContact CD2-CG 3.68Å; F44-Y123 HydrophobicContact CG-CD1 4.1Å; F44-Y123 HydrophobicContact CG-CE1 4.31Å; F44-Y123 HydrophobicContact CG-CG 4.32Å; F44-Y123 PolarHBondContact N-OH 3.01Å; I53-Y123 HydrophobicContact CD1-CD1 3.98Å; I53-Y123 HydrophobicContact CD1-CE1 3.87Å; I53-Y123 HydrophobicContact CG1-CD1 4.08Å; I53-Y123 HydrophobicContact CG1-CE1 4.45Å; I53-Y123 HydrophobicContact CG2-CD1 3.89Å; I53-Y123 HydrophobicContact CG2-CE1 4.3Å; V56-Y123 HydrophobicContact CB-CD1 4.46Å; V56-Y123 HydrophobicContact CB-CE1 4.41Å; V56-Y123 HydrophobicContact CG1-CD1 4.28Å; V56-Y123 HydrophobicContact CG1-CD2 4.06Å; V56-Y123 HydrophobicContact CG1-CE1 4.18Å; V56-Y123 HydrophobicContact CG1-CE2 4Å; V56-Y123 HydrophobicContact CG1-CG 4.22Å; V56-Y123 HydrophobicContact CG2-CD1 3.42Å; V56-Y123 VanDerWaalsContact CG2-CD1 3.42Å; V56-Y123 HydrophobicContact CG2-CE1 3.34Å; V56-Y123 HydrophobicContact CG2-CG 4.1Å; M101-Y123 VanDerWaalsContact O-CE1 3.25Å; M101-Y123 WeakPolarHBondContact O-CE1 3.4Å; M101-Y123 PolarHBondContact O-OH 2.86Å; M101-Y123 VanDerWaalsContact O-OH 3.09Å; E102-Y123 PolarHBondContact O-OH 3.35Å; E102-Y123 VanDerWaalsContact O-OH 3.14Å; T104-Y123 HydrophobicContact CG2-CE1 4.38Å; T104-Y123 PolarHBondContact N-OH 2.89Å; T104-Y123 PolarHBondContact OG1-OH 2.98Å; Y123-N130 CarbonylContact O-C 3.55Å; Y123-N130 VanDerWaalsContact O-CA 3.28Å; Y123-N130 WeakPolarHBondContact O-CA 3.31Å; Y123-R131 PolarHBondContact N-O 3.26Å; Y123-R131 PolarHBondContact O-N 2.99Å |
| 124 | T | 94 | Very high | 94 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 16% | 0.16 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.3 | 167.9 | 68.7 | 0 | 0 | 0 | 0 | 108.7 | S54 Q55 E122 | S54-T124 PolarHBondContact N-O 3.35Å; Q55-T124 WeakPolarHBondContact CA-OG1 3.07Å; Q55-T124 WeakPolarHBondContact CB-OG1 3.39Å; Q55-T124 PolarHBondContact N-OG1 3.3Å; Q55-T124 PolarHBondContact O-N 2.85Å; Q55-T124 PolarHBondContact O-OG1 2.93Å; E122-T124 HydrophobicContact CG-CG2 4.42Å |
| 125 | T | 92.2 | Very high | 94.1 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.6 | -175 | 76.8 | 0 | 0 | 0 | 0 | 112 | F44 V51 K52 I53 G129 | F44-T125 HydrophobicContact CE2-CG2 3.86Å; F44-T125 HydrophobicContact CZ-CG2 3.98Å; V51-T125 HydrophobicContact CG2-CG2 4.41Å; K52-T125 WeakPolarHBondContact O-CA 3.04Å; I53-T125 HydrophobicContact CG1-CG2 4.34Å; T125-G129 PolarHBondContact N-O 3.15Å; T125-G129 WeakPolarHBondContact O-CA 3.49Å; T125-G129 PolarHBondContact O-N 2.79Å; T125-G129 PolarHBondContact OG1-O 2.67Å |
| 126 | F | 88.6 | Confident | 94.2 | Very high | 147 Ų | 147 | 47 Ų | 47 | 65% | 0.645 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.7 | 173.9 | -173.1 | -92.2 | 0 | 0 | 0 | 110.6 | K52 | K52-F126 PolarHBondContact N-O 3.46Å; K52-F126 PolarHBondContact O-N 3.35Å |
| 127 | P | 89.8 | Confident | 94.3 | Very high | 104 Ų | 104 | 43.3 Ų | 43.3 | 68% | 0.675 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -88.1 | 0.3 | -1.6 | 35.5 | -36.9 | 0 | 0 | 0 | 115 | G129 | P127-G129 VanDerWaalsContact C-N 3.28Å; P127-G129 PolarHBondContact O-N 3.02Å |
| 128 | A | 86.9 | Confident | 94.3 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -1.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | V51 R131 | V51-A128 HydrophobicContact CG1-CB 3.66Å; A128-R131 PolarHBondContact O-NH1 2.86Å; A128-R131 PolarHBondContact O-NH2 3.01Å; A128-R131 VanDerWaalsContact O-NH2 3.13Å |
| 129 | G | 90 | Very high | 94.4 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 80.8 | -159.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T125 P127 | T125-G129 PolarHBondContact N-O 3.15Å; T125-G129 WeakPolarHBondContact O-CA 3.49Å; T125-G129 PolarHBondContact O-N 2.79Å; T125-G129 PolarHBondContact OG1-O 2.67Å; P127-G129 VanDerWaalsContact C-N 3.28Å; P127-G129 PolarHBondContact O-N 3.02Å |
| 130 | N | 93.3 | Very high | 94.4 | Very high | 83 Ų | 83 | 45.4 Ų | 45.4 | 44% | 0.444 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 146.7 | -175.7 | -63.3 | 8.8 | 0 | 0 | 0 | 111.5 | E122 Y123 | E122-N130 HydrophobicContact CG-CB 4.26Å; E122-N130 PolarHBondContact OE2-ND2 3.26Å; Y123-N130 CarbonylContact O-C 3.55Å; Y123-N130 VanDerWaalsContact O-CA 3.28Å; Y123-N130 WeakPolarHBondContact O-CA 3.31Å |
| 131 | R | 93.5 | Very high | 94.3 | Very high | 87 Ų | 87 | 45.6 Ų | 45.6 | 33% | 0.328 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.2 | 166.2 | -62.3 | -65.2 | 179.4 | -78.1 | -9.1 | 107.5 | V24 F44 Y123 A128 | V24-R131 HydrophobicContact CG2-CB 3.8Å; V24-R131 WeakPolarHBondContact CG2-O 3.47Å; F44-R131 HydrophobicContact CE2-CB 4.4Å; F44-R131 HydrophobicContact CE2-CG 4.32Å; Y123-R131 PolarHBondContact N-O 3.26Å; Y123-R131 PolarHBondContact O-N 2.99Å; A128-R131 PolarHBondContact O-NH1 2.86Å; A128-R131 PolarHBondContact O-NH2 3.01Å; A128-R131 VanDerWaalsContact O-NH2 3.13Å |
| 132 | E | 94.8 | Very high | 94.3 | Very high | 99 Ų | 99 | 51.7 Ų | 51.7 | 46% | 0.463 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 156.2 | 174.3 | 65.2 | 173.1 | -153.6 | 0 | 0 | 111.2 | K66 I120 C121 E122 | K66-E132 IonicContact NZ-OE1 3.64Å; K66-E132 IonicContact NZ-OE2 3.6Å; K66-E132 PolarHBondContact NZ-OE2 3.37Å; I120-E132 HydrophobicContact CG2-CB 3.88Å; I120-E132 HydrophobicContact CG2-CG 4.27Å; I120-E132 WeakPolarHBondContact CG2-OE2 3.35Å; C121-E132 VanDerWaalsContact O-CA 3.28Å; C121-E132 WeakPolarHBondContact O-CA 3.36Å; E122-E132 HydrophobicContact CB-CB 4.01Å; E122-E132 HydrophobicContact CG-CB 4.25Å |
| 133 | N | 95.8 | Very high | 94.2 | Very high | 70 Ų | 70 | 50.6 Ų | 50.6 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 171.9 | 165.8 | -164.9 | 0.4 | 0 | 0 | 0 | 108.5 | V24 M26 I120 C121 | V24-N133 HydrophobicContact CB-CB 3.91Å; V24-N133 HydrophobicContact CG1-CB 4.12Å; V24-N133 WeakPolarHBondContact O-CB 3.45Å; V24-N133 PolarHBondContact O-ND2 3.45Å; M26-N133 HydrophobicContact CG-CB 4.03Å; M26-N133 HydrophobicContact SD-CB 3.82Å; I120-N133 WeakPolarHBondContact CA-O 3.49Å; C121-N133 PolarHBondContact N-O 3.04Å; C121-N133 PolarHBondContact O-N 3.49Å |
| 134 | M | 95.5 | Very high | 94.2 | Very high | 72 Ų | 72 | 57.2 Ų | 57.2 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 140.6 | -169.1 | -168.4 | 177.8 | 76.2 | 0 | 0 | 112.7 | L61 A118 Y119 I120 | L61-M134 HydrophobicContact CD2-SD 4.23Å; A118-M134 HydrophobicContact CB-CE 4.03Å; A118-M134 HydrophobicContact CB-CG 3.92Å; A118-M134 HydrophobicContact CB-SD 3.55Å; A118-M134 VanDerWaalsContact CB-SD 3.55Å; Y119-M134 CarbonylContact O-C 3.58Å; Y119-M134 VanDerWaalsContact O-CA 3.27Å; Y119-M134 WeakPolarHBondContact O-CA 3.17Å; Y119-M134 WeakPolarHBondContact O-CG 3.44Å; I120-M134 HydrophobicContact CD1-SD 4.48Å; I120-M134 HydrophobicContact CG1-CB 4.22Å; I120-M134 HydrophobicContact CG1-CG 3.81Å; I120-M134 HydrophobicContact CG1-SD 4Å |
| 135 | V | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.8 | 172.6 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | M26 D27 K30 L40 W58 A118 Y119 | M26-V135 HydrophobicContact CE-CB 4.06Å; M26-V135 HydrophobicContact CE-CG1 3.62Å; D27-V135 HydrophobicContact CB-CG2 4.36Å; D27-V135 WeakPolarHBondContact O-CB 3.37Å; D27-V135 WeakPolarHBondContact O-CG2 3.3Å; K30-V135 HydrophobicContact CB-CG2 4.15Å; K30-V135 HydrophobicContact CG-CG2 3.96Å; L40-V135 HydrophobicContact CB-CG1 4.3Å; L40-V135 HydrophobicContact CD1-CG1 4.04Å; L40-V135 HydrophobicContact CD2-CG1 4.13Å; L40-V135 HydrophobicContact CD2-CG2 4.46Å; L40-V135 HydrophobicContact CG-CG1 4.4Å; W58-V135 HydrophobicContact CZ3-CG1 4.4Å; A118-V135 WeakPolarHBondContact CA-O 3.13Å; Y119-V135 PolarHBondContact N-O 2.79Å; Y119-V135 PolarHBondContact O-N 3.45Å |
| 136 | N | 96.8 | Very high | 94.5 | Very high | 76 Ų | 76 | 63.1 Ų | 63.1 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118.6 | 171.7 | -68 | -58.3 | 0 | 0 | 0 | 110.4 | S28 S29 K30 A118 | S28-N136 PolarHBondContact O-N 2.95Å; S29-N136 CarbonylContact C-O 3.55Å; S29-N136 VanDerWaalsContact CA-O 3.32Å; S29-N136 WeakPolarHBondContact CA-O 3.3Å; K30-N136 PolarHBondContact N-O 3.26Å; K30-N136 VanDerWaalsContact O-O 3.13Å; A118-N136 WeakPolarHBondContact CB-OD1 3.47Å |
| 137 | L | 96.7 | Very high | 94.8 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 108.6 | 178 | 177.9 | 55.8 | 0 | 0 | 0 | 110.9 | K30 V38 L40 F108 L111 E116 A117 Y119 | K30-L137 HydrophobicContact CB-CD1 4.23Å; K30-L137 WeakPolarHBondContact O-CA 3.47Å; V38-L137 HydrophobicContact CG1-CD1 4.19Å; L40-L137 HydrophobicContact CD1-CD2 4.36Å; L40-L137 HydrophobicContact CD2-CD1 4.28Å; L40-L137 HydrophobicContact CD2-CD2 4.42Å; F108-L137 HydrophobicContact CE2-CD2 4.42Å; L111-L137 HydrophobicContact CD1-CD2 3.87Å; L111-L137 HydrophobicContact CD1-CG 4.49Å; E116-L137 WeakPolarHBondContact CA-O 3.47Å; A117-L137 PolarHBondContact N-O 3.28Å; A117-L137 PolarHBondContact O-N 3.12Å; Y119-L137 HydrophobicContact CD2-CB 3.97Å; Y119-L137 HydrophobicContact CD2-CD2 4.26Å; Y119-L137 HydrophobicContact CE2-CB 4.05Å; Y119-L137 HydrophobicContact CE2-CD2 3.78Å |
| 138 | T | 95.9 | Very high | 95 | Very high | 49 Ų | 49 | 55.1 Ų | 55.1 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 123.4 | 175.6 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | K30 S31 G32 F140 | K30-T138 PolarHBondContact O-N 2.85Å; S31-T138 WeakPolarHBondContact CA-O 3.5Å; S31-T138 WeakPolarHBondContact CB-O 3.41Å; G32-T138 PolarHBondContact N-O 2.93Å; T138-F140 HydrophobicContact CG2-CD1 4.2Å; T138-F140 HydrophobicContact CG2-CE1 3.55Å; T138-F140 HydrophobicContact CG2-CZ 3.96Å |
| 139 | V | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.6 | -179.9 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | V34 L111 L113 E116 K174 | V34-V139 HydrophobicContact CG2-CG1 3.71Å; L111-V139 HydrophobicContact CD1-CG2 4.02Å; L111-V139 HydrophobicContact CD2-CB 4.42Å; L111-V139 HydrophobicContact CD2-CG1 3.93Å; L111-V139 HydrophobicContact CD2-CG2 4Å; L111-V139 HydrophobicContact CG-CG1 4Å; L111-V139 HydrophobicContact CG-CG2 3.97Å; L113-V139 HydrophobicContact CD2-CG1 4.21Å; E116-V139 HydrophobicContact CB-CB 4.33Å; E116-V139 HydrophobicContact CB-CG2 3.91Å; V139-K174 PolarHBondContact O-NZ 2.91Å |
| 140 | F | 97 | Very high | 95.5 | Very high | 22 Ų | 22 | 59 Ų | 59 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 144.3 | 177.6 | -62.1 | -42.8 | 0 | 0 | 0 | 111.9 | S31 G32 F33 V34 T138 K174 R227 | S31-F140 WeakPolarHBondContact OG-CE2 3.33Å; G32-F140 PolarHBondContact O-N 2.87Å; F33-F140 CarbonylContact C-O 3.36Å; F33-F140 VanDerWaalsContact CA-O 3.27Å; F33-F140 WeakPolarHBondContact CA-O 3.5Å; F33-F140 HydrophobicContact CD1-CB 3.59Å; F33-F140 HydrophobicContact CE1-CB 3.68Å; F33-F140 HydrophobicContact CE1-CG 4.5Å; F33-F140 HydrophobicContact CG-CB 4.37Å; V34-F140 PolarHBondContact N-O 2.79Å; T138-F140 HydrophobicContact CG2-CD1 4.2Å; T138-F140 HydrophobicContact CG2-CE1 3.55Å; T138-F140 HydrophobicContact CG2-CZ 3.96Å; F140-K174 WeakPolarHBondContact CA-O 3.09Å; F140-R227 VanDerWaalsContact CE2-CZ 3.47Å |
| 141 | A | 96.8 | Very high | 95.4 | Very high | 11 Ų | 11 | 57.2 Ų | 57.2 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -119.7 | 123.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | V34 L113 N172 K174 T200 Y226 | V34-A141 HydrophobicContact CG2-CB 4.29Å; L113-A141 HydrophobicContact CD2-CB 4.33Å; A141-N172 WeakPolarHBondContact CB-O 3.44Å; A141-K174 HydrophobicContact CB-CB 3.97Å; A141-K174 PolarHBondContact N-O 3.29Å; A141-K174 PolarHBondContact O-N 3.01Å; A141-T200 HydrophobicContact CB-CG2 4.08Å; A141-Y226 PolarHBondContact O-OH 3.27Å |
| 142 | R | 95.9 | Very high | 95.3 | Very high | 129 Ų | 129 | 58.2 Ų | 58.2 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | trans | -69.9 | 127.5 | 173.7 | -69.7 | -179.6 | 171.6 | -84.4 | -2.1 | 108.5 | F33 Y226 E229 | F33-R142 HydrophobicContact CD1-CG 3.68Å; F33-R142 HydrophobicContact CE1-CG 3.7Å; F33-R142 HydrophobicContact CG-CG 4.5Å; R142-Y226 HydrophobicContact CG-CE1 4.24Å; R142-E229 IonicContact CZ-OE1 2.6Å; R142-E229 IonicContact CZ-OE2 2.67Å; R142-E229 IonicContact NH1-OE1 2.8Å; R142-E229 PolarHBondContact NH1-OE1 2.91Å; R142-E229 IonicContact NH1-OE2 2.91Å; R142-E229 PolarHBondContact NH1-OE2 3.02Å; R142-E229 IonicContact NH2-OE1 2.67Å; R142-E229 PolarHBondContact NH2-OE1 2.78Å | ||
| 143 | P | 96.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | trans | -74.4 | 146.2 | -178.4 | 29 | -34.3 | 0 | 0 | 0 | 112.1 | S170 A171 Y226 | P143-S170 WeakPolarHBondContact CB-OG 3.46Å; P143-A171 CarbonylContact C-O 3.14Å; P143-A171 WeakPolarHBondContact CA-O 3.38Å; P143-Y226 VanDerWaalsContact CD-CD2 3.5Å; P143-Y226 HydrophobicContact CG-CD2 3.85Å; P143-Y226 HydrophobicContact CG-CE2 4.46Å; P143-Y226 HydrophobicContact CG-CG 3.91Å | ||
| 144 | M | 95.4 | Very high | 94.9 | Very high | 139 Ų | 139 | 52.9 Ų | 52.9 | 69% | 0.685 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 109.5 | 170 | -168.6 | -176.7 | -169.2 | 0 | 0 | 109.5 | A171 | M144-A171 PolarHBondContact N-O 2.96Å; M144-A171 PolarHBondContact O-N 3.15Å |
| 145 | T | 95.8 | Very high | 94.7 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 138 | 178.4 | -62.6 | 0 | 0 | 0 | 0 | 111 | T169 V224 I231 | T145-T169 CarbonylContact C-O 3.58Å; T145-T169 WeakPolarHBondContact CA-O 3.27Å; T145-V224 HydrophobicContact CG2-CB 4.31Å; T145-V224 HydrophobicContact CG2-CG2 3.55Å; T145-I231 HydrophobicContact CG2-CG2 4.17Å |
| 146 | R | 95.3 | Very high | 94.4 | Very high | 126 Ų | 126 | 52.1 Ų | 52.1 | 48% | 0.475 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 135.3 | 170.5 | 60.1 | 178.6 | -173.9 | -115.4 | 2.3 | 111.6 | T169 | R146-T169 PolarHBondContact N-O 2.9Å; R146-T169 PolarHBondContact O-N 2.91Å |
| 147 | M | 95 | Very high | 93.5 | Very high | 21 Ų | 21 | 57.5 Ų | 57.5 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 138 | 161 | -172.7 | 77 | 86.7 | 0 | 0 | 110.4 | A166 C168 W181 C222 D233 V235 | M147-A166 HydrophobicContact SD-CB 4.16Å; M147-C168 HydrophobicContact SD-CB 4.15Å; M147-W181 HydrophobicContact CE-CE3 4.45Å; M147-W181 HydrophobicContact CE-CH2 4.21Å; M147-W181 HydrophobicContact CE-CZ3 3.6Å; M147-W181 HydrophobicContact SD-CH2 3.67Å; M147-W181 HydrophobicContact SD-CZ3 3.65Å; M147-C222 HydrophobicContact CE-CB 3.31Å; M147-C222 VanDerWaalsContact CE-N 3.3Å; M147-C222 HydrophobicContact SD-CB 4.16Å; M147-D233 HydrophobicContact CB-CB 4.08Å; M147-D233 VanDerWaalsContact CB-CG 3.49Å; M147-D233 WeakPolarHBondContact CB-OD2 3.42Å; M147-D233 WeakPolarHBondContact CE-O 3.37Å; M147-D233 PolarHBondContact N-OD2 2.86Å; M147-D233 VanDerWaalsContact N-OD2 3.07Å; M147-V235 HydrophobicContact CE-CG2 4.29Å; M147-V235 HydrophobicContact CG-CB 4.48Å; M147-V235 HydrophobicContact CG-CG1 3.66Å; M147-V235 HydrophobicContact CG-CG2 4.05Å; M147-V235 HydrophobicContact SD-CG2 4.35Å |
| 148 | T | 95.1 | Very high | 92.2 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 39% | 0.387 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 127.1 | 171.7 | 57.5 | 0 | 0 | 0 | 0 | 110.5 | A166 T167 | T148-A166 CarbonylContact O-C 3.57Å; T148-A166 WeakPolarHBondContact O-CA 3.35Å; T148-T167 PolarHBondContact N-O 3.08Å; T148-T167 PolarHBondContact O-N 2.85Å; T148-T167 PolarHBondContact OG1-O 2.86Å |
| 149 | L | 94.8 | Very high | 91.2 | Very high | 61 Ų | 61 | 67.2 Ų | 67.2 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 147.3 | 166.6 | -72.7 | 170.2 | 0 | 0 | 0 | 110.4 | S151 V165 A166 V235 L237 | L149-S151 VanDerWaalsContact C-N 3.31Å; L149-V165 WeakPolarHBondContact CD2-O 3.4Å; L149-A166 HydrophobicContact CD2-CB 4.31Å; L149-V235 HydrophobicContact CD1-CB 4.44Å; L149-V235 HydrophobicContact CD1-CG1 4.5Å; L149-V235 HydrophobicContact CD2-CB 4.01Å; L149-V235 HydrophobicContact CD2-CG1 4.46Å; L149-V235 HydrophobicContact CD2-CG2 3.74Å; L149-V235 HydrophobicContact CG-CB 4.16Å; L149-V235 HydrophobicContact CG-CG1 4.12Å; L149-V235 HydrophobicContact CG-CG2 4.3Å; L149-L237 HydrophobicContact CD2-CD2 3.79Å |
| 150 | T | 92.3 | Very high | 90.5 | Very high | 82 Ų | 82 | 76.3 Ų | 76.3 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -73 | -27.1 | 176 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | T164 V165 | T150-T164 VanDerWaalsContact CB-O 3.29Å; T150-T164 WeakPolarHBondContact CB-O 3.5Å; T150-T164 PolarHBondContact OG1-O 3.34Å; T150-V165 PolarHBondContact N-O 3.42Å |
| 151 | S | 91.1 | Very high | 90.1 | Very high | 46 Ų | 46 | 83 Ų | 83 | 32% | 0.322 | 42% | 0.416 | S | S | . | . | trans | -153.9 | 146.8 | 173.5 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | L149 T153 | L149-S151 VanDerWaalsContact C-N 3.31Å; S151-T153 VanDerWaalsContact CB-O 3.29Å; S151-T153 WeakPolarHBondContact CB-O 3.09Å; S151-T153 PolarHBondContact O-N 3.04Å; S151-T153 PolarHBondContact OG-N 3.01Å; S151-T153 PolarHBondContact OG-O 2.84Å | ||
| 152 | P | 90.8 | Very high | 89.8 | Confident | 108 Ų | 108 | 86.7 Ų | 86.7 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -63.2 | -25.6 | 173 | 27 | -36 | 0 | 0 | 0 | 112.9 | ||
| 153 | T | 90.6 | Very high | 89.6 | Confident | 52 Ų | 52 | 83.3 Ų | 83.3 | 32% | 0.319 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -132.2 | 132.2 | 174.7 | 52.6 | 0 | 0 | 0 | 0 | 110.3 | S151 | S151-T153 VanDerWaalsContact CB-O 3.29Å; S151-T153 WeakPolarHBondContact CB-O 3.09Å; S151-T153 PolarHBondContact O-N 3.04Å; S151-T153 PolarHBondContact OG-N 3.01Å; S151-T153 PolarHBondContact OG-O 2.84Å |
| 154 | I | 91.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 84.9 Ų | 84.9 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.7 | -178.8 | -64.6 | 153.7 | 0 | 0 | 0 | 107.8 | M163 V165 P211 L237 N238 V239 Q240 | I154-M163 HydrophobicContact CG2-SD 3.98Å; I154-V165 HydrophobicContact CD1-CB 3.77Å; I154-V165 HydrophobicContact CD1-CG1 3.71Å; I154-V165 HydrophobicContact CG1-CG1 4.48Å; I154-V165 HydrophobicContact CG2-CG1 4.44Å; I154-P211 HydrophobicContact CG2-CB 3.65Å; I154-P211 HydrophobicContact CG2-CG 3.54Å; I154-L237 HydrophobicContact CD1-CD2 4.15Å; I154-N238 PolarHBondContact N-O 2.85Å; I154-V239 HydrophobicContact CB-CG2 4.23Å; I154-V239 HydrophobicContact CD1-CG2 4.46Å; I154-V239 HydrophobicContact CG2-CG1 4.49Å; I154-V239 HydrophobicContact CG2-CG2 4.39Å; I154-V239 CarbonylContact O-C 3.52Å; I154-V239 VanDerWaalsContact O-CA 3.27Å; I154-V239 WeakPolarHBondContact O-CA 3.13Å; I154-Q240 PolarHBondContact O-N 2.85Å |
| 155 | V | 91.9 | Very high | 89.5 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 115.4 | 179.7 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | R157 I318 | V155-R157 HydrophobicContact CG1-CG 3.99Å; V155-R157 PolarHBondContact O-N 2.98Å; V155-R157 VanDerWaalsContact O-N 3.08Å; V155-I318 HydrophobicContact CG1-CD1 4.02Å; V155-I318 HydrophobicContact CG1-CG2 4.25Å; V155-I318 HydrophobicContact CG2-CD1 4.25Å |
| 156 | A | 89.4 | Confident | 89.5 | Confident | 12 Ų | 12 | 76.8 Ų | 76.8 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | trans | -71.4 | 94.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P211 V239 Q240 | A156-P211 HydrophobicContact CB-CB 4.17Å; A156-P211 VanDerWaalsContact CB-O 3.31Å; A156-P211 WeakPolarHBondContact CB-O 3.43Å; A156-V239 HydrophobicContact CB-CG1 3.91Å; A156-Q240 WeakPolarHBondContact CB-O 3.41Å; A156-Q240 PolarHBondContact N-O 2.87Å | ||
| 157 | R | 78.8 | Confident | 89.6 | Confident | 190 Ų | 190 | 71.1 Ų | 71.1 | 72% | 0.717 | 37% | 0.372 | S | S | * | . | trans | -79.5 | 149.6 | 175.2 | -60 | -178.7 | -172.8 | -97.3 | 2.1 | 109.6 | V155 K159 | V155-R157 HydrophobicContact CG1-CG 3.99Å; V155-R157 PolarHBondContact O-N 2.98Å; V155-R157 VanDerWaalsContact O-N 3.08Å; R157-K159 CarbonylContact O-C 3.56Å; R157-K159 PolarHBondContact O-N 2.97Å | ||
| 158 | G | 68.4 | Low | 89.7 | Confident | 69 Ų | 69 | 70.1 Ų | 70.1 | 71% | 0.711 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -57.4 | -18.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 159 | K | 76.1 | Confident | 89.9 | Confident | 187 Ų | 187 | 67.3 Ų | 67.3 | 81% | 0.813 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -85.2 | 111 | 166.3 | -70 | -172.6 | 178.1 | -176.4 | 0 | 109.9 | R157 R161 | R157-K159 CarbonylContact O-C 3.56Å; R157-K159 PolarHBondContact O-N 2.97Å; K159-R161 PolarHBondContact O-N 2.76Å |
| 160 | K | 82.2 | Confident | 90 | Very high | 191 Ų | 191 | 64.4 Ų | 64.4 | 83% | 0.83 | 34% | 0.335 | S | S | * | . | trans | -58.6 | 95.6 | 173 | -67 | -176.8 | -179 | -179.3 | 0 | 110.5 | V210 | K160-V210 HydrophobicContact CB-CG1 3.89Å; K160-V210 HydrophobicContact CG-CG1 4.22Å | ||
| 161 | R | 87.8 | Confident | 90.3 | Very high | 161 Ų | 161 | 60.9 Ų | 60.9 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | trans | -123 | 132.1 | 179.4 | -168.5 | -178.6 | 72.6 | 83.8 | -17.1 | 110.4 | K159 M163 | K159-R161 PolarHBondContact O-N 2.76Å; R161-M163 PolarHBondContact O-N 2.82Å | ||
| 162 | N | 90.5 | Very high | 90.5 | Very high | 90 Ų | 90 | 62.5 Ų | 62.5 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | trans | -57.5 | 128.1 | 169.3 | -73.9 | -0.6 | 0 | 0 | 0 | 110.4 | V208 V210 | N162-V208 HydrophobicContact CB-CG1 3.74Å; N162-V210 WeakPolarHBondContact OD1-CG2 3.38Å | ||
| 163 | M | 91.3 | Very high | 90.8 | Very high | 57 Ų | 57 | 57.3 Ų | 57.3 | 28% | 0.281 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.1 | 179.1 | 172.6 | 169.9 | -80.9 | 0 | 0 | 109.6 | I154 R161 V165 V208 V209 P211 | I154-M163 HydrophobicContact CG2-SD 3.98Å; R161-M163 PolarHBondContact O-N 2.82Å; M163-V165 PolarHBondContact O-N 3.37Å; M163-V208 WeakPolarHBondContact O-CA 3.47Å; M163-V209 PolarHBondContact N-O 3.07Å; M163-V209 PolarHBondContact O-N 3.3Å; M163-V209 VanDerWaalsContact O-O 3.12Å; M163-P211 HydrophobicContact CB-CG 4.15Å; M163-P211 HydrophobicContact SD-CG 4.38Å |
| 164 | T | 94.6 | Very high | 91.1 | Very high | 47 Ų | 47 | 56.4 Ų | 56.4 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 123.6 | 166.6 | -49.9 | 0 | 0 | 0 | 0 | 109.1 | T150 Y207 | T150-T164 VanDerWaalsContact CB-O 3.29Å; T150-T164 WeakPolarHBondContact CB-O 3.5Å; T150-T164 PolarHBondContact OG1-O 3.34Å; T164-Y207 WeakPolarHBondContact CA-O 3.03Å |
| 165 | V | 95.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -33 | -179.7 | -65.4 | 0 | 0 | 0 | 0 | 112.5 | L149 T150 I154 M163 Y207 V209 L220 L237 | L149-V165 WeakPolarHBondContact CD2-O 3.4Å; T150-V165 PolarHBondContact N-O 3.42Å; I154-V165 HydrophobicContact CD1-CB 3.77Å; I154-V165 HydrophobicContact CD1-CG1 3.71Å; I154-V165 HydrophobicContact CG1-CG1 4.48Å; I154-V165 HydrophobicContact CG2-CG1 4.44Å; M163-V165 PolarHBondContact O-N 3.37Å; V165-Y207 HydrophobicContact CG2-CD1 4.27Å; V165-Y207 PolarHBondContact N-O 3.45Å; V165-V209 HydrophobicContact CB-CG1 4.34Å; V165-V209 HydrophobicContact CG1-CG1 3.54Å; V165-V209 HydrophobicContact CG2-CG1 3.82Å; V165-L220 HydrophobicContact CG2-CD2 4.07Å; V165-L237 HydrophobicContact CB-CD1 4.37Å; V165-L237 HydrophobicContact CB-CD2 4.11Å; V165-L237 HydrophobicContact CG2-CD1 4.06Å; V165-L237 HydrophobicContact CG2-CD2 4.17Å |
| 166 | A | 96.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 156.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M147 T148 L149 W181 S206 Y207 L220 V235 | M147-A166 HydrophobicContact SD-CB 4.16Å; T148-A166 CarbonylContact O-C 3.57Å; T148-A166 WeakPolarHBondContact O-CA 3.35Å; L149-A166 HydrophobicContact CD2-CB 4.31Å; A166-W181 HydrophobicContact CB-CH2 4.08Å; A166-W181 HydrophobicContact CB-CZ3 4.28Å; A166-S206 WeakPolarHBondContact O-CA 3.42Å; A166-Y207 PolarHBondContact O-N 2.82Å; A166-L220 HydrophobicContact CB-CD2 3.62Å; A166-V235 HydrophobicContact CB-CG2 4.26Å |
| 167 | T | 97.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.5 | 171.9 | -63.6 | 0 | 0 | 0 | 0 | 108.3 | T148 R204 S205 | T148-T167 PolarHBondContact N-O 3.08Å; T148-T167 PolarHBondContact O-N 2.85Å; T148-T167 PolarHBondContact OG1-O 2.86Å; T167-R204 HydrophobicContact CG2-CG 3.7Å; T167-R204 VanDerWaalsContact CG2-NE 3.27Å; T167-S205 CarbonylContact C-O 3.55Å; T167-S205 WeakPolarHBondContact CA-O 3.34Å |
| 168 | C | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.5 | 167.4 | -169.4 | 0 | 0 | 0 | 0 | 108.6 | M147 I179 W181 S205 C222 | M147-C168 HydrophobicContact SD-CB 4.15Å; C168-I179 HydrophobicContact CB-CG2 4.4Å; C168-W181 HydrophobicContact CB-CH2 3.74Å; C168-W181 HydrophobicContact CB-CZ2 3.73Å; C168-S205 PolarHBondContact N-O 3.43Å; C168-S205 PolarHBondContact O-N 2.9Å; C168-C222 HydrophobicContact CB-CB 3.57Å; C168-C222 WeakPolarHBondContact CB-SG 3.29Å; C168-C222 WeakPolarHBondContact SG-CB 3.47Å; C168-C222 CovalentContact SG-SG 2.03Å; C168-C222 PolarHBondContact SG-SG 3.44Å |
| 169 | T | 97.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.5 | 176.8 | -47.1 | 0 | 0 | 0 | 0 | 109.6 | T145 R146 A171 T202 | T145-T169 CarbonylContact C-O 3.58Å; T145-T169 WeakPolarHBondContact CA-O 3.27Å; R146-T169 PolarHBondContact N-O 2.9Å; R146-T169 PolarHBondContact O-N 2.91Å; T169-A171 HydrophobicContact CG2-CB 4.44Å; T169-T202 HydrophobicContact CG2-CG2 3.93Å |
| 170 | S | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 97.2 | 170.2 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | P143 S177 T202 V203 V224 | P143-S170 WeakPolarHBondContact CB-OG 3.46Å; S170-S177 VanDerWaalsContact CB-OG 3.24Å; S170-S177 WeakPolarHBondContact CB-OG 3.42Å; S170-S177 PolarHBondContact OG-OG 2.97Å; S170-T202 WeakPolarHBondContact O-CA 3.37Å; S170-V203 PolarHBondContact N-O 2.82Å; S170-V203 PolarHBondContact O-N 3.37Å; S170-V224 WeakPolarHBondContact OG-CG1 3.24Å |
| 171 | A | 97.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 145.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P143 M144 T169 G173 T202 | P143-A171 CarbonylContact C-O 3.14Å; P143-A171 WeakPolarHBondContact CA-O 3.38Å; M144-A171 PolarHBondContact N-O 2.96Å; M144-A171 PolarHBondContact O-N 3.15Å; T169-A171 HydrophobicContact CG2-CB 4.44Å; A171-G173 VanDerWaalsContact C-N 3.3Å; A171-G173 PolarHBondContact O-N 3.12Å; A171-T202 HydrophobicContact CB-CG2 4.19Å |
| 172 | N | 96.4 | Very high | 96.2 | Very high | 80 Ų | 80 | 37.6 Ų | 37.6 | 43% | 0.428 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.3 | 30.9 | 169.1 | -50.8 | -26.7 | 0 | 0 | 0 | 115.4 | A141 N196 T202 | A141-N172 WeakPolarHBondContact CB-O 3.44Å; N172-N196 PolarHBondContact OD1-ND2 2.92Å; N172-N196 VanDerWaalsContact OD1-ND2 3.13Å; N172-T202 PolarHBondContact N-OG1 2.89Å; N172-T202 VanDerWaalsContact N-OG1 3.13Å; N172-T202 PolarHBondContact OD1-OG1 3.24Å |
| 173 | G | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 139.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A171 P175 V201 | A171-G173 VanDerWaalsContact C-N 3.3Å; A171-G173 PolarHBondContact O-N 3.12Å; G173-P175 CarbonylContact C-O 3.54Å; G173-V201 PolarHBondContact N-O 3.38Å; G173-V201 PolarHBondContact O-N 2.92Å |
| 174 | K | 96.6 | Very high | 96.5 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 14% | 0.139 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -138.9 | 115.9 | 165.2 | -176.7 | 164.5 | -178.8 | -84.1 | 0 | 109.9 | L113 E116 V139 F140 A141 T200 Y226 | L113-K174 HydrophobicContact CD2-CD 4.05Å; E116-K174 IonicContact OE1-NZ 3.6Å; E116-K174 PolarHBondContact OE1-NZ 3.27Å; E116-K174 WeakPolarHBondContact OE2-CE 3.27Å; E116-K174 IonicContact OE2-NZ 2.67Å; E116-K174 PolarHBondContact OE2-NZ 3.17Å; V139-K174 PolarHBondContact O-NZ 2.91Å; F140-K174 WeakPolarHBondContact CA-O 3.09Å; A141-K174 HydrophobicContact CB-CB 3.97Å; A141-K174 PolarHBondContact N-O 3.29Å; A141-K174 PolarHBondContact O-N 3.01Å; K174-T200 HydrophobicContact CB-CG2 4.25Å; K174-Y226 PolarHBondContact O-OH 3.43Å |
| 175 | P | 96.3 | Very high | 96.4 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | S | Bend | cis | -62.7 | 173 | -7.4 | 30.9 | -38.1 | 0 | 0 | 0 | 112.9 | G173 Y226 R227 | G173-P175 CarbonylContact C-O 3.54Å; P175-Y226 HydrophobicContact CG-CE2 4.43Å; P175-Y226 VanDerWaalsContact O-CE2 3.3Å; P175-Y226 WeakPolarHBondContact O-CE2 3.12Å; P175-R227 HydrophobicContact CG-CG 4.3Å |
| 176 | P | 96.8 | Very high | 96.2 | Very high | 63 Ų | 63 | 48.1 Ų | 48.1 | 41% | 0.409 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -56 | 143.7 | 172.9 | -20.5 | 31 | 0 | 0 | 0 | 112 | V201 V203 | P176-V201 HydrophobicContact CB-CB 4.19Å; P176-V201 HydrophobicContact CB-CG1 4.17Å; P176-V201 HydrophobicContact CG-CB 3.88Å; P176-V201 HydrophobicContact CG-CG1 4.13Å; P176-V201 HydrophobicContact CG-CG2 3.88Å; P176-V203 HydrophobicContact CB-CG2 4.34Å |
| 177 | S | 97.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -94 | 145.3 | 172.4 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | S170 T225 | S170-S177 VanDerWaalsContact CB-OG 3.24Å; S170-S177 WeakPolarHBondContact CB-OG 3.42Å; S170-S177 PolarHBondContact OG-OG 2.97Å; S177-T225 WeakPolarHBondContact CA-O 3.31Å |
| 178 | T | 97.1 | Very high | 95.8 | Very high | 82 Ų | 82 | 55.8 Ų | 55.8 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 139.7 | 173.7 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | V224 T225 | T178-V224 CarbonylContact O-C 3.51Å; T178-V224 WeakPolarHBondContact O-CA 3.44Å; T178-T225 PolarHBondContact N-O 2.81Å; T178-T225 PolarHBondContact O-N 3.25Å |
| 179 | I | 97.7 | Very high | 95.7 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 11% | 0.108 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.4 | 175 | -56.9 | -172.4 | 0 | 0 | 0 | 109.3 | C168 V203 C222 V224 | C168-I179 HydrophobicContact CB-CG2 4.4Å; I179-V203 HydrophobicContact CD1-CB 4.2Å; I179-V203 HydrophobicContact CD1-CG1 3.82Å; I179-V203 WeakPolarHBondContact CD1-O 3.43Å; I179-V203 HydrophobicContact CG1-CB 4.49Å; I179-V203 HydrophobicContact CG1-CG1 3.93Å; I179-C222 VanDerWaalsContact CG2-SG 3.57Å; I179-V224 HydrophobicContact CG1-CG2 4.24Å |
| 180 | K | 96.6 | Very high | 95.6 | Very high | 142 Ų | 142 | 61.7 Ų | 61.7 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 150.7 | 169.4 | -67 | -171 | 176.7 | -173.4 | 0 | 110.2 | I223 | K180-I223 PolarHBondContact N-O 3.24Å; K180-I223 PolarHBondContact O-N 3.5Å |
| 181 | W | 96.7 | Very high | 95.5 | Very high | 41 Ų | 41 | 66.6 Ų | 66.6 | 16% | 0.155 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 146.4 | 174.2 | -63.9 | 89.1 | 0 | 0 | 0 | 110.7 | M147 A166 C168 A189 S205 Y207 L220 T221 C222 | M147-W181 HydrophobicContact CE-CE3 4.45Å; M147-W181 HydrophobicContact CE-CH2 4.21Å; M147-W181 HydrophobicContact CE-CZ3 3.6Å; M147-W181 HydrophobicContact SD-CH2 3.67Å; M147-W181 HydrophobicContact SD-CZ3 3.65Å; A166-W181 HydrophobicContact CB-CH2 4.08Å; A166-W181 HydrophobicContact CB-CZ3 4.28Å; C168-W181 HydrophobicContact CB-CH2 3.74Å; C168-W181 HydrophobicContact CB-CZ2 3.73Å; W181-A189 VanDerWaalsContact CD1-CB 3.43Å; W181-A189 HydrophobicContact CG-CB 4.43Å; W181-S205 PolarHBondContact NE1-OG 2.84Å; W181-Y207 HydrophobicContact CB-CD2 4.04Å; W181-Y207 HydrophobicContact CB-CE2 4Å; W181-Y207 AromaticContact CD1-CD2 3.9Å; W181-Y207 AromaticContact CD2-CD2 3.71Å; W181-Y207 HydrophobicContact CD2-CD2 3.71Å; W181-Y207 HydrophobicContact CD2-CG 4.27Å; W181-Y207 HydrophobicContact CE3-CD2 4.23Å; W181-Y207 HydrophobicContact CE3-CG 4.43Å; W181-Y207 AromaticContact CG-CD2 3.61Å; W181-Y207 HydrophobicContact CG-CD2 3.61Å; W181-Y207 HydrophobicContact CG-CE2 4.07Å; W181-L220 HydrophobicContact CD2-CD1 4.38Å; W181-L220 HydrophobicContact CE3-CD1 3.51Å; W181-L220 HydrophobicContact CE3-CD2 4.21Å; W181-L220 HydrophobicContact CE3-CG 3.71Å; W181-L220 HydrophobicContact CZ3-CD1 3.99Å; W181-L220 HydrophobicContact CZ3-CD2 3.83Å; W181-L220 HydrophobicContact CZ3-CG 3.66Å; W181-T221 CarbonylContact C-O 3.52Å; W181-T221 WeakPolarHBondContact CA-O 3.05Å; W181-C222 HydrophobicContact CE3-CB 4.29Å; W181-C222 HydrophobicContact CZ3-CB 4.16Å |
| 182 | S | 96.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 71.7 Ų | 71.7 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 114.3 | 171.9 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | T221 | S182-T221 PolarHBondContact N-O 2.85Å; S182-T221 WeakPolarHBondContact O-CB 3.33Å; S182-T221 PolarHBondContact O-N 2.82Å |
| 183 | T | 94.5 | Very high | 95.5 | Very high | 39 Ų | 39 | 73.4 Ų | 73.4 | 24% | 0.239 | 39% | 0.391 | C | S | . | . | trans | -165.2 | 163.1 | -177.3 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | L185 Y207 K219 L220 | T183-L185 HydrophobicContact CG2-CB 3.88Å; T183-L185 WeakPolarHBondContact OG1-CD1 3.31Å; T183-L185 WeakPolarHBondContact OG1-CG 3.37Å; T183-L185 PolarHBondContact OG1-N 3.03Å; T183-Y207 HydrophobicContact CG2-CE1 4.16Å; T183-Y207 HydrophobicContact CG2-CE2 4.32Å; T183-Y207 WeakPolarHBondContact CG2-OH 3.47Å; T183-K219 PolarHBondContact OG1-O 2.96Å; T183-L220 HydrophobicContact CG2-CD1 3.67Å | ||
| 184 | L | 92.7 | Very high | 95.5 | Very high | 155 Ų | 155 | 76.5 Ų | 76.5 | 81% | 0.812 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -91.4 | -4.5 | 170 | -59 | 175.9 | 0 | 0 | 0 | 112.3 | ||
| 185 | L | 93.2 | Very high | 95.5 | Very high | 15 Ų | 15 | 84.3 Ų | 84.3 | 8% | 0.079 | 44% | 0.439 | C | S | . | . | trans | -68.7 | 133 | -179.7 | -67 | 167.9 | 0 | 0 | 0 | 111.2 | T183 G187 Y207 T215 Q218 L220 L237 | T183-L185 HydrophobicContact CG2-CB 3.88Å; T183-L185 WeakPolarHBondContact OG1-CD1 3.31Å; T183-L185 WeakPolarHBondContact OG1-CG 3.37Å; T183-L185 PolarHBondContact OG1-N 3.03Å; L185-G187 PolarHBondContact O-N 2.96Å; L185-G187 VanDerWaalsContact O-N 3.15Å; L185-Y207 HydrophobicContact CB-CE1 4.12Å; L185-Y207 PolarHBondContact O-OH 2.93Å; L185-T215 HydrophobicContact CD2-CG2 3.63Å; L185-Q218 HydrophobicContact CD1-CB 4.23Å; L185-Q218 HydrophobicContact CD2-CB 3.74Å; L185-Q218 HydrophobicContact CD2-CG 3.83Å; L185-Q218 HydrophobicContact CG-CB 4.02Å; L185-L220 HydrophobicContact CD1-CB 4.44Å; L185-L237 HydrophobicContact CD1-CD1 3.53Å; L185-L237 HydrophobicContact CD1-CG 4.44Å | ||
| 186 | K | 90.3 | Very high | 95.5 | Very high | 207 Ų | 207 | 83.5 Ų | 83.5 | 90% | 0.9 | 43% | 0.431 | S | S | * | . | trans | -81.5 | 87.8 | 170.2 | -65.1 | -178 | -179.3 | -178.7 | 0 | 109.1 | ||||
| 187 | G | 91.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 87.5 Ų | 87.5 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | trans | -144.2 | 176.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L185 Y207 V208 | L185-G187 PolarHBondContact O-N 2.96Å; L185-G187 VanDerWaalsContact O-N 3.15Å; G187-Y207 PolarHBondContact N-OH 2.68Å; G187-Y207 PolarHBondContact O-OH 2.99Å; G187-V208 CarbonylContact C-O 3.52Å; G187-V208 VanDerWaalsContact CA-O 3.22Å; G187-V208 WeakPolarHBondContact CA-O 3.43Å | ||
| 188 | E | 94.8 | Very high | 95.1 | Very high | 139 Ų | 139 | 91.5 Ų | 91.5 | 65% | 0.65 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 142.3 | -177.9 | -69.2 | 175.3 | -177.3 | 0 | 0 | 110.5 | V208 | E188-V208 PolarHBondContact N-O 2.98Å; E188-V208 PolarHBondContact O-N 3.03Å |
| 189 | A | 95.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 89 Ų | 89 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | W181 Y207 | W181-A189 VanDerWaalsContact CD1-CB 3.43Å; W181-A189 HydrophobicContact CG-CB 4.43Å; A189-Y207 HydrophobicContact CB-CD2 4.08Å; A189-Y207 HydrophobicContact CB-CE2 4.36Å |
| 190 | T | 95.7 | Very high | 94.7 | Very high | 71 Ų | 71 | 88.1 Ų | 88.1 | 44% | 0.436 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 149.9 | 167.2 | 65.6 | 0 | 0 | 0 | 0 | 109.7 | S205 S206 V208 | T190-S205 CarbonylContact O-C 3.5Å; T190-S205 WeakPolarHBondContact O-CA 3.38Å; T190-S205 VanDerWaalsContact O-CB 3.31Å; T190-S205 WeakPolarHBondContact O-CB 3.48Å; T190-S205 PolarHBondContact O-OG 3.12Å; T190-S206 PolarHBondContact N-O 2.92Å; T190-S206 PolarHBondContact O-N 2.87Å; T190-S206 VanDerWaalsContact O-N 3.11Å; T190-S206 WeakPolarHBondContact OG1-CB 2.98Å; T190-S206 PolarHBondContact OG1-N 3.43Å; T190-S206 PolarHBondContact OG1-O 2.87Å; T190-V208 HydrophobicContact CG2-CG2 4.25Å |
| 191 | L | 96.4 | Very high | 94.8 | Very high | 104 Ų | 104 | 81.9 Ų | 81.9 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132.9 | 174.8 | -170.1 | 71.5 | 0 | 0 | 0 | 109 | V203 | L191-V203 HydrophobicContact CD1-CG1 3.61Å; L191-V203 HydrophobicContact CG-CG1 4.46Å |
| 192 | Q | 96.6 | Very high | 94.8 | Very high | 114 Ų | 114 | 81 Ų | 81 | 53% | 0.533 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 124.3 | 176.1 | -174.4 | -179.6 | 21.8 | 0 | 0 | 108.5 | R204 | Q192-R204 PolarHBondContact N-O 3.34Å; Q192-R204 PolarHBondContact O-N 3.4Å |
| 193 | E | 96.4 | Very high | 94.9 | Very high | 116 Ų | 116 | 78 Ų | 78 | 54% | 0.542 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 142.8 | 172.6 | -58.3 | -162.6 | 171 | 0 | 0 | 109.9 | V201 V203 | E193-V201 HydrophobicContact CB-CG1 4.38Å; E193-V203 HydrophobicContact CG-CG1 4.29Å; E193-V203 HydrophobicContact CG-CG2 4.14Å |
| 194 | T | 97.1 | Very high | 95 | Very high | 64 Ų | 64 | 81.5 Ų | 81.5 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 115.9 | 178.9 | -57 | 0 | 0 | 0 | 0 | 108.6 | V201 T202 | T194-V201 WeakPolarHBondContact O-CA 3.31Å; T194-T202 PolarHBondContact N-O 2.65Å; T194-T202 PolarHBondContact O-N 3.01Å |
| 195 | R | 96.9 | Very high | 95.3 | Very high | 197 Ų | 197 | 74.3 Ų | 74.3 | 74% | 0.743 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122.6 | 175.1 | -179.4 | 177.5 | -73.5 | -103.2 | 2.5 | 109.1 | V201 | R195-V201 HydrophobicContact CB-CG2 4.45Å |
| 196 | N | 95.9 | Very high | 95.5 | Very high | 31 Ų | 31 | 74.3 Ų | 74.3 | 17% | 0.166 | 39% | 0.39 | C | S | . | . | trans | -84.3 | 154.3 | 179.5 | -57.9 | -42.2 | 0 | 0 | 0 | 110.4 | N172 N198 G199 T200 T202 | N172-N196 PolarHBondContact OD1-ND2 2.92Å; N172-N196 VanDerWaalsContact OD1-ND2 3.13Å; N196-N198 WeakPolarHBondContact CB-OD1 3.22Å; N196-N198 PolarHBondContact O-N 2.84Å; N196-N198 VanDerWaalsContact O-N 3.14Å; N196-G199 PolarHBondContact O-N 2.83Å; N196-T200 WeakPolarHBondContact CB-O 3.43Å; N196-T200 PolarHBondContact N-O 2.88Å; N196-T200 PolarHBondContact ND2-OG1 2.85Å; N196-T202 PolarHBondContact ND2-OG1 2.8Å | ||
| 197 | P | 93.3 | Very high | 95.8 | Very high | 148 Ų | 148 | 65.2 Ų | 65.2 | 96% | 0.961 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27.3 | 179.4 | -26.5 | 35.4 | 0 | 0 | 0 | 114.6 | G199 | P197-G199 PolarHBondContact O-N 2.78Š|
| 198 | N | 91.9 | Very high | 96 | Very high | 86 Ų | 86 | 65 Ų | 65 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 11.5 | 177.3 | 68.2 | 3.6 | 0 | 0 | 0 | 114.3 | L113 N196 T200 | L113-N198 HydrophobicContact CD1-CB 4.25Å; N196-N198 WeakPolarHBondContact CB-OD1 3.22Å; N196-N198 PolarHBondContact O-N 2.84Å; N196-N198 VanDerWaalsContact O-N 3.14Å; N198-T200 PolarHBondContact O-N 2.03Å; N198-T200 WeakPolarHBondContact OD1-CB 3.12Å; N198-T200 PolarHBondContact OD1-N 3Å; N198-T200 VanDerWaalsContact OD1-N 3.11Å; N198-T200 PolarHBondContact OD1-OG1 2.87Å |
| 199 | G | 90.5 | Very high | 96 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 78.4 | -3.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | N196 P197 | N196-G199 PolarHBondContact O-N 2.83Å; P197-G199 PolarHBondContact O-N 2.78Å |
| 200 | T | 96.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | trans | -78.6 | 164.9 | 169.7 | 67.8 | 0 | 0 | 0 | 0 | 111.4 | L113 A141 K174 N196 N198 | L113-T200 HydrophobicContact CD1-CG2 3.63Å; L113-T200 HydrophobicContact CD2-CG2 4.26Å; A141-T200 HydrophobicContact CB-CG2 4.08Å; K174-T200 HydrophobicContact CB-CG2 4.25Å; N196-T200 WeakPolarHBondContact CB-O 3.43Å; N196-T200 PolarHBondContact N-O 2.88Å; N196-T200 PolarHBondContact ND2-OG1 2.85Å; N198-T200 PolarHBondContact O-N 2.03Å; N198-T200 WeakPolarHBondContact OD1-CB 3.12Å; N198-T200 PolarHBondContact OD1-N 3Å; N198-T200 VanDerWaalsContact OD1-N 3.11Å; N198-T200 PolarHBondContact OD1-OG1 2.87Å | ||
| 201 | V | 97.4 | Very high | 95.8 | Very high | 10 Ų | 10 | 55.6 Ų | 55.6 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.8 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | G173 P176 E193 T194 R195 V203 | G173-V201 PolarHBondContact N-O 3.38Å; G173-V201 PolarHBondContact O-N 2.92Å; P176-V201 HydrophobicContact CB-CB 4.19Å; P176-V201 HydrophobicContact CB-CG1 4.17Å; P176-V201 HydrophobicContact CG-CB 3.88Å; P176-V201 HydrophobicContact CG-CG1 4.13Å; P176-V201 HydrophobicContact CG-CG2 3.88Å; E193-V201 HydrophobicContact CB-CG1 4.38Å; T194-V201 WeakPolarHBondContact O-CA 3.31Å; R195-V201 HydrophobicContact CB-CG2 4.45Å; V201-V203 HydrophobicContact CG1-CG2 4.1Å |
| 202 | T | 97.8 | Very high | 95.6 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.8 | 169.8 | -68.3 | 0 | 0 | 0 | 0 | 108.5 | T169 S170 A171 N172 T194 N196 | T169-T202 HydrophobicContact CG2-CG2 3.93Å; S170-T202 WeakPolarHBondContact O-CA 3.37Å; A171-T202 HydrophobicContact CB-CG2 4.19Å; N172-T202 PolarHBondContact N-OG1 2.89Å; N172-T202 VanDerWaalsContact N-OG1 3.13Å; N172-T202 PolarHBondContact OD1-OG1 3.24Å; T194-T202 PolarHBondContact N-O 2.65Å; T194-T202 PolarHBondContact O-N 3.01Å; N196-T202 PolarHBondContact ND2-OG1 2.8Å |
| 203 | V | 97.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124.7 | 176.4 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | S170 P176 I179 L191 E193 V201 | S170-V203 PolarHBondContact N-O 2.82Å; S170-V203 PolarHBondContact O-N 3.37Å; P176-V203 HydrophobicContact CB-CG2 4.34Å; I179-V203 HydrophobicContact CD1-CB 4.2Å; I179-V203 HydrophobicContact CD1-CG1 3.82Å; I179-V203 WeakPolarHBondContact CD1-O 3.43Å; I179-V203 HydrophobicContact CG1-CB 4.49Å; I179-V203 HydrophobicContact CG1-CG1 3.93Å; L191-V203 HydrophobicContact CD1-CG1 3.61Å; L191-V203 HydrophobicContact CG-CG1 4.46Å; E193-V203 HydrophobicContact CG-CG1 4.29Å; E193-V203 HydrophobicContact CG-CG2 4.14Å; V201-V203 HydrophobicContact CG1-CG2 4.1Å |
| 204 | R | 97.5 | Very high | 95.2 | Very high | 113 Ų | 113 | 51.3 Ų | 51.3 | 43% | 0.426 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.1 | 178.6 | -176.4 | -178.1 | 179.7 | 165 | 6.3 | 108.7 | T167 Q192 | T167-R204 HydrophobicContact CG2-CG 3.7Å; T167-R204 VanDerWaalsContact CG2-NE 3.27Å; Q192-R204 PolarHBondContact N-O 3.34Å; Q192-R204 PolarHBondContact O-N 3.4Å |
| 205 | S | 97.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.028 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.1 | 171.1 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | T167 C168 W181 T190 | T167-S205 CarbonylContact C-O 3.55Å; T167-S205 WeakPolarHBondContact CA-O 3.34Å; C168-S205 PolarHBondContact N-O 3.43Å; C168-S205 PolarHBondContact O-N 2.9Å; W181-S205 PolarHBondContact NE1-OG 2.84Å; T190-S205 CarbonylContact O-C 3.5Å; T190-S205 WeakPolarHBondContact O-CA 3.38Å; T190-S205 VanDerWaalsContact O-CB 3.31Å; T190-S205 WeakPolarHBondContact O-CB 3.48Å; T190-S205 PolarHBondContact O-OG 3.12Å |
| 206 | S | 97.1 | Very high | 95 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129.5 | 179.6 | -41.4 | 0 | 0 | 0 | 0 | 109.8 | A166 T190 | A166-S206 WeakPolarHBondContact O-CA 3.42Å; T190-S206 PolarHBondContact N-O 2.92Å; T190-S206 PolarHBondContact O-N 2.87Å; T190-S206 VanDerWaalsContact O-N 3.11Å; T190-S206 WeakPolarHBondContact OG1-CB 2.98Å; T190-S206 PolarHBondContact OG1-N 3.43Å; T190-S206 PolarHBondContact OG1-O 2.87Å |
| 207 | Y | 97.1 | Very high | 94.9 | Very high | 15 Ų | 15 | 46.6 Ų | 46.6 | 6% | 0.059 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 123.6 | -178.3 | -155.5 | -98.2 | 0 | 0 | 0 | 110.2 | T164 V165 A166 W181 T183 L185 G187 A189 L220 | T164-Y207 WeakPolarHBondContact CA-O 3.03Å; V165-Y207 HydrophobicContact CG2-CD1 4.27Å; V165-Y207 PolarHBondContact N-O 3.45Å; A166-Y207 PolarHBondContact O-N 2.82Å; W181-Y207 HydrophobicContact CB-CD2 4.04Å; W181-Y207 HydrophobicContact CB-CE2 4Å; W181-Y207 AromaticContact CD1-CD2 3.9Å; W181-Y207 AromaticContact CD2-CD2 3.71Å; W181-Y207 HydrophobicContact CD2-CD2 3.71Å; W181-Y207 HydrophobicContact CD2-CG 4.27Å; W181-Y207 HydrophobicContact CE3-CD2 4.23Å; W181-Y207 HydrophobicContact CE3-CG 4.43Å; W181-Y207 AromaticContact CG-CD2 3.61Å; W181-Y207 HydrophobicContact CG-CD2 3.61Å; W181-Y207 HydrophobicContact CG-CE2 4.07Å; T183-Y207 HydrophobicContact CG2-CE1 4.16Å; T183-Y207 HydrophobicContact CG2-CE2 4.32Å; T183-Y207 WeakPolarHBondContact CG2-OH 3.47Å; L185-Y207 HydrophobicContact CB-CE1 4.12Å; L185-Y207 PolarHBondContact O-OH 2.93Å; G187-Y207 PolarHBondContact N-OH 2.68Å; G187-Y207 PolarHBondContact O-OH 2.99Å; A189-Y207 HydrophobicContact CB-CD2 4.08Å; A189-Y207 HydrophobicContact CB-CE2 4.36Å; Y207-L220 HydrophobicContact CD1-CD1 3.85Å; Y207-L220 HydrophobicContact CD1-CD2 3.92Å; Y207-L220 HydrophobicContact CD2-CD1 4.21Å; Y207-L220 HydrophobicContact CE1-CD1 4.08Å; Y207-L220 HydrophobicContact CE2-CD1 4.44Å; Y207-L220 HydrophobicContact CG-CD1 3.92Å; Y207-L220 HydrophobicContact CG-CD2 4.05Å |
| 208 | V | 95.6 | Very high | 95 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.7 | -173.4 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | N162 M163 G187 E188 T190 | N162-V208 HydrophobicContact CB-CG1 3.74Å; M163-V208 WeakPolarHBondContact O-CA 3.47Å; G187-V208 CarbonylContact C-O 3.52Å; G187-V208 VanDerWaalsContact CA-O 3.22Å; G187-V208 WeakPolarHBondContact CA-O 3.43Å; E188-V208 PolarHBondContact N-O 2.98Å; E188-V208 PolarHBondContact O-N 3.03Å; T190-V208 HydrophobicContact CG2-CG2 4.25Å |
| 209 | V | 94.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 159.5 | 179.1 | 65.4 | 0 | 0 | 0 | 0 | 109.5 | M163 V165 P211 T215 | M163-V209 PolarHBondContact N-O 3.07Å; M163-V209 PolarHBondContact O-N 3.3Å; M163-V209 VanDerWaalsContact O-O 3.12Å; V165-V209 HydrophobicContact CB-CG1 4.34Å; V165-V209 HydrophobicContact CG1-CG1 3.54Å; V165-V209 HydrophobicContact CG2-CG1 3.82Å; V209-P211 WeakPolarHBondContact O-CD 3.34Å; V209-T215 HydrophobicContact CG2-CG2 4.21Å |
| 210 | V | 94.2 | Very high | 95.4 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 30% | 0.303 | 20% | 0.203 | S | C | . | . | trans | -82.5 | 114.6 | 164.2 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | K160 N162 S212 | K160-V210 HydrophobicContact CB-CG1 3.89Å; K160-V210 HydrophobicContact CG-CG1 4.22Å; N162-V210 WeakPolarHBondContact OD1-CG2 3.38Å; V210-S212 PolarHBondContact O-N 3.37Å | ||
| 211 | P | 93.9 | Very high | 95.5 | Very high | 15 Ų | 15 | 43.8 Ų | 43.8 | 10% | 0.097 | 21% | 0.208 | C | C | . | . | trans | -67.1 | 132.5 | -179.9 | -18.1 | 32.2 | 0 | 0 | 0 | 111 | I154 A156 M163 V209 V239 | I154-P211 HydrophobicContact CG2-CB 3.65Å; I154-P211 HydrophobicContact CG2-CG 3.54Å; A156-P211 HydrophobicContact CB-CB 4.17Å; A156-P211 VanDerWaalsContact CB-O 3.31Å; A156-P211 WeakPolarHBondContact CB-O 3.43Å; M163-P211 HydrophobicContact CB-CG 4.15Å; M163-P211 HydrophobicContact SD-CG 4.38Å; V209-P211 WeakPolarHBondContact O-CD 3.34Å; P211-V239 HydrophobicContact CB-CG1 3.84Å | ||
| 212 | S | 92.9 | Very high | 95.5 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | trans | -146.8 | 174.6 | 178.2 | 74.6 | 0 | 0 | 0 | 0 | 111.6 | V210 E214 T215 | V210-S212 PolarHBondContact O-N 3.37Å; S212-E214 VanDerWaalsContact C-N 3.27Å; S212-E214 WeakPolarHBondContact CB-OE2 3.32Å; S212-E214 PolarHBondContact O-N 2.85Å; S212-E214 PolarHBondContact OG-N 3.33Å; S212-E214 PolarHBondContact OG-OE2 2.81Å; S212-T215 PolarHBondContact N-OG1 2.85Å; S212-T215 PolarHBondContact O-N 2.65Å; S212-T215 PolarHBondContact O-OG1 3.33Å | ||
| 213 | R | 91.9 | Very high | 95.5 | Very high | 88 Ų | 88 | 43.1 Ų | 43.1 | 33% | 0.332 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -54.3 | -42.5 | 175.4 | 173.7 | 172.4 | 170.8 | -102 | -14.7 | 112.1 | T215 H216 Y241 E244 D268 | R213-T215 PolarHBondContact O-N 2.97Å; R213-H216 VanDerWaalsContact O-CB 3.28Å; R213-H216 WeakPolarHBondContact O-CB 3.33Å; R213-H216 PolarHBondContact O-N 2.82Å; R213-H216 VanDerWaalsContact O-N 3.11Å; R213-Y241 HydrophobicContact CB-CD1 4.41Å; R213-Y241 HydrophobicContact CB-CD2 4Å; R213-Y241 HydrophobicContact CB-CE1 4.45Å; R213-Y241 HydrophobicContact CB-CE2 4.04Å; R213-Y241 HydrophobicContact CB-CG 4.21Å; R213-Y241 HydrophobicContact CG-CD2 4.16Å; R213-Y241 HydrophobicContact CG-CE1 4.31Å; R213-Y241 HydrophobicContact CG-CE2 3.67Å; R213-E244 WeakPolarHBondContact CD-OE2 3.34Å; R213-E244 IonicContact CZ-OE2 3.55Å; R213-E244 IonicContact NE-OE2 2.7Å; R213-E244 IonicContact NH1-OE1 2.99Å; R213-E244 IonicContact NH1-OE2 3.38Å; R213-E244 PolarHBondContact NH1-OE2 2.87Å; R213-D268 IonicContact CZ-OD2 2.98Å; R213-D268 IonicContact NE-OD2 2.82Å; R213-D268 PolarHBondContact NE-OD2 3.13Å; R213-D268 IonicContact NH2-OD2 3.47Å; R213-D268 PolarHBondContact NH2-OD2 2.86Å |
| 214 | E | 92.2 | Very high | 95.5 | Very high | 120 Ų | 120 | 43.1 Ų | 43.1 | 56% | 0.561 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -69.3 | -15.6 | -179.6 | -51.2 | 71.8 | -152.5 | 0 | 0 | 113.2 | S212 Q218 | S212-E214 VanDerWaalsContact C-N 3.27Å; S212-E214 WeakPolarHBondContact CB-OE2 3.32Å; S212-E214 PolarHBondContact O-N 2.85Å; S212-E214 PolarHBondContact OG-N 3.33Å; S212-E214 PolarHBondContact OG-OE2 2.81Å; E214-Q218 WeakPolarHBondContact O-CG 3.42Å; E214-Q218 PolarHBondContact O-NE2 3.11Å |
| 215 | T | 93.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -89 | -12.7 | 174.7 | 67.9 | 0 | 0 | 0 | 0 | 113.4 | L185 V209 S212 R213 Q218 V239 | L185-T215 HydrophobicContact CD2-CG2 3.63Å; V209-T215 HydrophobicContact CG2-CG2 4.21Å; S212-T215 PolarHBondContact N-OG1 2.85Å; S212-T215 PolarHBondContact O-N 2.65Å; S212-T215 PolarHBondContact O-OG1 3.33Å; R213-T215 PolarHBondContact O-N 2.97Å; T215-Q218 PolarHBondContact O-N 2.81Å; T215-V239 WeakPolarHBondContact OG1-CG2 3.48Å |
| 216 | H | 95.2 | Very high | 95.4 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 140.4 | 175.3 | 179.4 | 77 | 0 | 0 | 0 | 111.3 | R213 Q218 V239 Y241 N270 | R213-H216 VanDerWaalsContact O-CB 3.28Å; R213-H216 WeakPolarHBondContact O-CB 3.33Å; R213-H216 PolarHBondContact O-N 2.82Å; R213-H216 VanDerWaalsContact O-N 3.11Å; H216-Q218 PolarHBondContact O-N 3.48Å; H216-V239 HydrophobicContact CB-CB 4.15Å; H216-V239 PolarHBondContact ND1-N 3.43Å; H216-V239 PolarHBondContact ND1-O 3.17Å; H216-Y241 HydrophobicContact CB-CD1 4.44Å; H216-Y241 HydrophobicContact CB-CE1 3.81Å; H216-Y241 AromaticContact CG-CE1 3.89Å; H216-N270 PolarHBondContact CE1-ND2 2.84Å; H216-N270 PolarHBondContact ND1-ND2 2.84Å |
| 217 | K | 94.9 | Very high | 95.3 | Very high | 155 Ų | 155 | 45.3 Ų | 45.3 | 67% | 0.674 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 6.5 | -176.2 | -73.2 | 163.1 | -179.3 | 164.4 | 0 | 115.4 | V236 L237 | K217-V236 WeakPolarHBondContact O-CG1 3.31Å; K217-L237 PolarHBondContact N-O 3.22Å |
| 218 | Q | 95.4 | Very high | 95.2 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 30% | 0.304 | 24% | 0.24 | S | C | . | . | trans | -73.7 | 138.8 | 176.7 | -64.5 | -71 | 42.1 | 0 | 0 | 111.6 | L185 E214 T215 H216 L237 | L185-Q218 HydrophobicContact CD1-CB 4.23Å; L185-Q218 HydrophobicContact CD2-CB 3.74Å; L185-Q218 HydrophobicContact CD2-CG 3.83Å; L185-Q218 HydrophobicContact CG-CB 4.02Å; E214-Q218 WeakPolarHBondContact O-CG 3.42Å; E214-Q218 PolarHBondContact O-NE2 3.11Å; T215-Q218 PolarHBondContact O-N 2.81Å; H216-Q218 PolarHBondContact O-N 3.48Å; Q218-L237 PolarHBondContact O-N 2.81Å | ||
| 219 | K | 95.2 | Very high | 95.1 | Very high | 120 Ų | 120 | 50.6 Ų | 50.6 | 52% | 0.522 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 133.1 | 176.4 | -170.9 | 177.9 | 179.6 | -179 | 0 | 110.6 | T183 S234 | T183-K219 PolarHBondContact OG1-O 2.96Å; K219-S234 WeakPolarHBondContact CE-OG 3.26Å |
| 220 | L | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 115.8 | 175.8 | 179.2 | 61.6 | 0 | 0 | 0 | 108.7 | V165 A166 W181 T183 L185 Y207 S234 V235 | V165-L220 HydrophobicContact CG2-CD2 4.07Å; A166-L220 HydrophobicContact CB-CD2 3.62Å; W181-L220 HydrophobicContact CD2-CD1 4.38Å; W181-L220 HydrophobicContact CE3-CD1 3.51Å; W181-L220 HydrophobicContact CE3-CD2 4.21Å; W181-L220 HydrophobicContact CE3-CG 3.71Å; W181-L220 HydrophobicContact CZ3-CD1 3.99Å; W181-L220 HydrophobicContact CZ3-CD2 3.83Å; W181-L220 HydrophobicContact CZ3-CG 3.66Å; T183-L220 HydrophobicContact CG2-CD1 3.67Å; L185-L220 HydrophobicContact CD1-CB 4.44Å; Y207-L220 HydrophobicContact CD1-CD1 3.85Å; Y207-L220 HydrophobicContact CD1-CD2 3.92Å; Y207-L220 HydrophobicContact CD2-CD1 4.21Å; Y207-L220 HydrophobicContact CE1-CD1 4.08Å; Y207-L220 HydrophobicContact CE2-CD1 4.44Å; Y207-L220 HydrophobicContact CG-CD1 3.92Å; Y207-L220 HydrophobicContact CG-CD2 4.05Å; L220-S234 WeakPolarHBondContact O-CA 3.31Å; L220-V235 HydrophobicContact CB-CG2 4.27Å; L220-V235 PolarHBondContact N-O 2.82Å; L220-V235 PolarHBondContact O-N 2.9Å |
| 221 | T | 96.9 | Very high | 95.2 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 13% | 0.129 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.8 | -175.4 | -50 | 0 | 0 | 0 | 0 | 110.2 | W181 S182 I223 D233 S234 | W181-T221 CarbonylContact C-O 3.52Å; W181-T221 WeakPolarHBondContact CA-O 3.05Å; S182-T221 PolarHBondContact N-O 2.85Å; S182-T221 WeakPolarHBondContact O-CB 3.33Å; S182-T221 PolarHBondContact O-N 2.82Å; T221-I223 HydrophobicContact CG2-CG1 4.28Å; T221-D233 CarbonylContact C-O 3.55Å; T221-D233 WeakPolarHBondContact CA-O 3.31Å; T221-S234 WeakPolarHBondContact CG2-OG 3.38Å; T221-S234 PolarHBondContact OG1-OG 2.85Å |
| 222 | C | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 138.1 | 165.9 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | M147 C168 I179 W181 T232 D233 | M147-C222 HydrophobicContact CE-CB 3.31Å; M147-C222 VanDerWaalsContact CE-N 3.3Å; M147-C222 HydrophobicContact SD-CB 4.16Å; C168-C222 HydrophobicContact CB-CB 3.57Å; C168-C222 WeakPolarHBondContact CB-SG 3.29Å; C168-C222 WeakPolarHBondContact SG-CB 3.47Å; C168-C222 CovalentContact SG-SG 2.03Å; C168-C222 PolarHBondContact SG-SG 3.44Å; I179-C222 VanDerWaalsContact CG2-SG 3.57Å; W181-C222 HydrophobicContact CE3-CB 4.29Å; W181-C222 HydrophobicContact CZ3-CB 4.16Å; C222-T232 VanDerWaalsContact O-CA 3.31Å; C222-T232 WeakPolarHBondContact O-CA 3.29Å; C222-D233 PolarHBondContact N-O 2.88Å; C222-D233 PolarHBondContact O-N 2.65Å |
| 223 | I | 97.4 | Very high | 95.4 | Very high | 20 Ų | 20 | 63.4 Ų | 63.4 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 103.9 | 177.5 | -55.7 | 174.3 | 0 | 0 | 0 | 106.7 | K180 T221 T232 | K180-I223 PolarHBondContact N-O 3.24Å; K180-I223 PolarHBondContact O-N 3.5Å; T221-I223 HydrophobicContact CG2-CG1 4.28Å; I223-T232 HydrophobicContact CB-CG2 4.44Å; I223-T232 HydrophobicContact CG1-CG2 4.05Å; I223-T232 HydrophobicContact CG2-CG2 4.24Å |
| 224 | V | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.7 | 172.6 | -177 | 0 | 0 | 0 | 0 | 108.1 | T145 S170 T178 I179 I231 | T145-V224 HydrophobicContact CG2-CB 4.31Å; T145-V224 HydrophobicContact CG2-CG2 3.55Å; S170-V224 WeakPolarHBondContact OG-CG1 3.24Å; T178-V224 CarbonylContact O-C 3.51Å; T178-V224 WeakPolarHBondContact O-CA 3.44Å; I179-V224 HydrophobicContact CG1-CG2 4.24Å; V224-I231 HydrophobicContact CB-CB 4.42Å; V224-I231 PolarHBondContact N-O 2.87Å; V224-I231 PolarHBondContact O-N 2.91Å |
| 225 | T | 97.8 | Very high | 95.7 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 121.2 | 175.5 | -51.2 | 0 | 0 | 0 | 0 | 109.8 | S177 T178 E229 R230 | S177-T225 WeakPolarHBondContact CA-O 3.31Å; T178-T225 PolarHBondContact N-O 2.81Å; T178-T225 PolarHBondContact O-N 3.25Å; T225-E229 WeakPolarHBondContact CA-O 3.37Å; T225-R230 HydrophobicContact CG2-CG 4.3Å |
| 226 | Y | 97 | Very high | 95.8 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 117.6 | -178.9 | 173.5 | -95.8 | 0 | 0 | 0 | 109.7 | F33 A141 R142 P143 K174 P175 G228 E229 | F33-Y226 AromaticContact CE1-CE1 3.92Å; F33-Y226 HydrophobicContact CE1-CE1 3.92Å; F33-Y226 WeakPolarHBondContact CE1-OH 3.45Å; A141-Y226 PolarHBondContact O-OH 3.27Å; R142-Y226 HydrophobicContact CG-CE1 4.24Å; P143-Y226 VanDerWaalsContact CD-CD2 3.5Å; P143-Y226 HydrophobicContact CG-CD2 3.85Å; P143-Y226 HydrophobicContact CG-CE2 4.46Å; P143-Y226 HydrophobicContact CG-CG 3.91Å; K174-Y226 PolarHBondContact O-OH 3.43Å; P175-Y226 HydrophobicContact CG-CE2 4.43Å; P175-Y226 VanDerWaalsContact O-CE2 3.3Å; P175-Y226 WeakPolarHBondContact O-CE2 3.12Å; Y226-G228 PolarHBondContact O-N 2.89Å; Y226-E229 PolarHBondContact N-O 2.82Å; Y226-E229 WeakPolarHBondContact O-CB 3.44Å; Y226-E229 PolarHBondContact O-N 3.24Å |
| 227 | R | 94.5 | Very high | 95.8 | Very high | 143 Ų | 143 | 59.2 Ų | 59.2 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 29.7 | -178 | -62 | -171.7 | 59.9 | 77.3 | 6.8 | 115 | F140 P175 | F140-R227 VanDerWaalsContact CE2-CZ 3.47Å; P175-R227 HydrophobicContact CG-CG 4.3Å |
| 228 | G | 93.7 | Very high | 95.8 | Very high | 63 Ų | 63 | 54.8 Ų | 54.8 | 65% | 0.649 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.7 | -21.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y226 | Y226-G228 PolarHBondContact O-N 2.89Š|
| 229 | E | 94.6 | Very high | 95.8 | Very high | 85 Ų | 85 | 51.7 Ų | 51.7 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 139.3 | 170.4 | -60.6 | 176.4 | -166.1 | 0 | 0 | 109.9 | R142 T225 Y226 | R142-E229 IonicContact CZ-OE1 2.6Å; R142-E229 IonicContact CZ-OE2 2.67Å; R142-E229 IonicContact NH1-OE1 2.8Å; R142-E229 PolarHBondContact NH1-OE1 2.91Å; R142-E229 IonicContact NH1-OE2 2.91Å; R142-E229 PolarHBondContact NH1-OE2 3.02Å; R142-E229 IonicContact NH2-OE1 2.67Å; R142-E229 PolarHBondContact NH2-OE1 2.78Å; T225-E229 WeakPolarHBondContact CA-O 3.37Å; Y226-E229 PolarHBondContact N-O 2.82Å; Y226-E229 WeakPolarHBondContact O-CB 3.44Å; Y226-E229 PolarHBondContact O-N 3.24Å |
| 230 | R | 95.9 | Very high | 95.8 | Very high | 163 Ų | 163 | 48 Ų | 48 | 62% | 0.615 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 118 | 179.8 | -67.8 | 171.9 | 64.9 | 100.4 | -8.9 | 109.8 | T225 | T225-R230 HydrophobicContact CG2-CG 4.3Å |
| 231 | I | 95.3 | Very high | 95.8 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 33% | 0.328 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.9 | 176.1 | -58 | 167.3 | 0 | 0 | 0 | 106.9 | T145 V224 | T145-I231 HydrophobicContact CG2-CG2 4.17Å; V224-I231 HydrophobicContact CB-CB 4.42Å; V224-I231 PolarHBondContact N-O 2.87Å; V224-I231 PolarHBondContact O-N 2.91Å |
| 232 | T | 96.1 | Very high | 95.7 | Very high | 88 Ų | 88 | 50.5 Ų | 50.5 | 54% | 0.54 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133 | -176.4 | 60.4 | 0 | 0 | 0 | 0 | 111.6 | C222 I223 | C222-T232 VanDerWaalsContact O-CA 3.31Å; C222-T232 WeakPolarHBondContact O-CA 3.29Å; I223-T232 HydrophobicContact CB-CG2 4.44Å; I223-T232 HydrophobicContact CG1-CG2 4.05Å; I223-T232 HydrophobicContact CG2-CG2 4.24Å |
| 233 | D | 95.3 | Very high | 95.6 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 33% | 0.326 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.7 | 177.7 | -166.7 | -1.9 | 0 | 0 | 0 | 109.3 | M147 T221 C222 | M147-D233 HydrophobicContact CB-CB 4.08Å; M147-D233 VanDerWaalsContact CB-CG 3.49Å; M147-D233 WeakPolarHBondContact CB-OD2 3.42Å; M147-D233 WeakPolarHBondContact CE-O 3.37Å; M147-D233 PolarHBondContact N-OD2 2.86Å; M147-D233 VanDerWaalsContact N-OD2 3.07Å; T221-D233 CarbonylContact C-O 3.55Å; T221-D233 WeakPolarHBondContact CA-O 3.31Å; C222-D233 PolarHBondContact N-O 2.88Å; C222-D233 PolarHBondContact O-N 2.65Å |
| 234 | S | 95.1 | Very high | 95.5 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 135.3 | -167.4 | -67.1 | 0 | 0 | 0 | 0 | 112.6 | K219 L220 T221 | K219-S234 WeakPolarHBondContact CE-OG 3.26Å; L220-S234 WeakPolarHBondContact O-CA 3.31Å; T221-S234 WeakPolarHBondContact CG2-OG 3.38Å; T221-S234 PolarHBondContact OG1-OG 2.85Å |
| 235 | V | 94.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 154.7 | 170.8 | -71 | 0 | 0 | 0 | 0 | 110.9 | M147 L149 A166 L220 | M147-V235 HydrophobicContact CE-CG2 4.29Å; M147-V235 HydrophobicContact CG-CB 4.48Å; M147-V235 HydrophobicContact CG-CG1 3.66Å; M147-V235 HydrophobicContact CG-CG2 4.05Å; M147-V235 HydrophobicContact SD-CG2 4.35Å; L149-V235 HydrophobicContact CD1-CB 4.44Å; L149-V235 HydrophobicContact CD1-CG1 4.5Å; L149-V235 HydrophobicContact CD2-CB 4.01Å; L149-V235 HydrophobicContact CD2-CG1 4.46Å; L149-V235 HydrophobicContact CD2-CG2 3.74Å; L149-V235 HydrophobicContact CG-CB 4.16Å; L149-V235 HydrophobicContact CG-CG1 4.12Å; L149-V235 HydrophobicContact CG-CG2 4.3Å; A166-V235 HydrophobicContact CB-CG2 4.26Å; L220-V235 HydrophobicContact CB-CG2 4.27Å; L220-V235 PolarHBondContact N-O 2.82Å; L220-V235 PolarHBondContact O-N 2.9Å |
| 236 | V | 95.3 | Very high | 95.3 | Very high | 87 Ų | 87 | 58.1 Ų | 58.1 | 53% | 0.527 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 128.4 | 174.3 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | K217 N238 | K217-V236 WeakPolarHBondContact O-CG1 3.31Å; V236-N238 PolarHBondContact O-N 2.99Å |
| 237 | L | 95.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | trans | -79.3 | 119.7 | -175 | -58.9 | -173.4 | 0 | 0 | 0 | 112 | L149 I154 V165 L185 K217 Q218 V239 | L149-L237 HydrophobicContact CD2-CD2 3.79Å; I154-L237 HydrophobicContact CD1-CD2 4.15Å; V165-L237 HydrophobicContact CB-CD1 4.37Å; V165-L237 HydrophobicContact CB-CD2 4.11Å; V165-L237 HydrophobicContact CG2-CD1 4.06Å; V165-L237 HydrophobicContact CG2-CD2 4.17Å; L185-L237 HydrophobicContact CD1-CD1 3.53Å; L185-L237 HydrophobicContact CD1-CG 4.44Å; K217-L237 PolarHBondContact N-O 3.22Å; Q218-L237 PolarHBondContact O-N 2.81Å; L237-V239 HydrophobicContact CB-CG2 4.03Å; L237-V239 PolarHBondContact O-N 2.94Å | ||
| 238 | N | 95.7 | Very high | 95.4 | Very high | 63 Ų | 63 | 57 Ų | 57 | 34% | 0.337 | 30% | 0.3 | S | S | . | . | trans | -91.6 | 85.9 | 168.6 | -171.9 | 6.2 | 0 | 0 | 0 | 110.5 | I154 V236 N270 | I154-N238 PolarHBondContact N-O 2.85Å; V236-N238 PolarHBondContact O-N 2.99Å; N238-N270 PolarHBondContact OD1-ND2 2.74Å | ||
| 239 | V | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 122.6 | 177.5 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | I154 A156 P211 T215 H216 L237 Y241 N270 | I154-V239 HydrophobicContact CB-CG2 4.23Å; I154-V239 HydrophobicContact CD1-CG2 4.46Å; I154-V239 HydrophobicContact CG2-CG1 4.49Å; I154-V239 HydrophobicContact CG2-CG2 4.39Å; I154-V239 CarbonylContact O-C 3.52Å; I154-V239 VanDerWaalsContact O-CA 3.27Å; I154-V239 WeakPolarHBondContact O-CA 3.13Å; A156-V239 HydrophobicContact CB-CG1 3.91Å; P211-V239 HydrophobicContact CB-CG1 3.84Å; T215-V239 WeakPolarHBondContact OG1-CG2 3.48Å; H216-V239 HydrophobicContact CB-CB 4.15Å; H216-V239 PolarHBondContact ND1-N 3.43Å; H216-V239 PolarHBondContact ND1-O 3.17Å; L237-V239 HydrophobicContact CB-CG2 4.03Å; L237-V239 PolarHBondContact O-N 2.94Å; V239-Y241 WeakPolarHBondContact O-CD1 3.37Å; V239-N270 PolarHBondContact O-ND2 2.87Å |
| 240 | Q | 95.3 | Very high | 95.3 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 20% | 0.201 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 138.2 | 173.1 | -67.9 | 179.1 | -7.9 | 0 | 0 | 110.1 | I154 A156 N270 I318 | I154-Q240 PolarHBondContact O-N 2.85Å; A156-Q240 WeakPolarHBondContact CB-O 3.41Å; A156-Q240 PolarHBondContact N-O 2.87Å; Q240-N270 CarbonylContact C-O 3.56Å; Q240-N270 WeakPolarHBondContact CA-O 3.4Å; Q240-N270 VanDerWaalsContact CB-O 3.27Å; Q240-N270 WeakPolarHBondContact CB-O 3.36Å; Q240-I318 HydrophobicContact CB-CD1 3.91Å; Q240-I318 HydrophobicContact CB-CG1 4.02Å |
| 241 | Y | 94.6 | Very high | 95.1 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 157.1 | -174.3 | 54.1 | -87.1 | 0 | 0 | 0 | 111.1 | R213 H216 V239 D268 N270 N316 | R213-Y241 HydrophobicContact CB-CD1 4.41Å; R213-Y241 HydrophobicContact CB-CD2 4Å; R213-Y241 HydrophobicContact CB-CE1 4.45Å; R213-Y241 HydrophobicContact CB-CE2 4.04Å; R213-Y241 HydrophobicContact CB-CG 4.21Å; R213-Y241 HydrophobicContact CG-CD2 4.16Å; R213-Y241 HydrophobicContact CG-CE1 4.31Å; R213-Y241 HydrophobicContact CG-CE2 3.67Å; H216-Y241 HydrophobicContact CB-CD1 4.44Å; H216-Y241 HydrophobicContact CB-CE1 3.81Å; H216-Y241 AromaticContact CG-CE1 3.89Å; V239-Y241 WeakPolarHBondContact O-CD1 3.37Å; Y241-D268 PolarHBondContact OH-OD1 3.47Å; Y241-N270 HydrophobicContact CD1-CB 4.01Å; Y241-N270 HydrophobicContact CE1-CB 3.58Å; Y241-N270 PolarHBondContact N-O 3.13Å; Y241-N270 VanDerWaalsContact O-O 3.06Å; Y241-N316 PolarHBondContact O-ND2 3.25Å |
| 242 | E | 95 | Very high | 94.8 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 157.6 | 174.4 | 62.1 | -168.8 | -164.9 | 0 | 0 | 112.7 | I318 R321 | E242-I318 HydrophobicContact CB-CG2 4.42Å; E242-R321 HydrophobicContact CB-CG 4.32Å; E242-R321 VanDerWaalsContact CD-NE 3.32Å; E242-R321 HydrophobicContact CG-CG 4.21Å; E242-R321 IonicContact OE1-CZ 2.7Å; E242-R321 IonicContact OE1-NE 3.52Å; E242-R321 PolarHBondContact OE1-NE 3.5Å; E242-R321 IonicContact OE1-NH2 2.76Å; E242-R321 PolarHBondContact OE1-NH2 2.93Å; E242-R321 IonicContact OE2-CZ 3.63Å; E242-R321 IonicContact OE2-NE 2.69Å; E242-R321 IonicContact OE2-NH1 3.35Å; E242-R321 IonicContact OE2-NH2 3.14Å; E242-R321 PolarHBondContact OE2-NH2 3.27Å |
| 243 | P | 96 | Very high | 94.6 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 132.7 | -169.4 | -19 | 33.3 | 0 | 0 | 0 | 114.9 | V245 A267 D268 A269 V273 A314 N316 G319 R321 | P243-V245 HydrophobicContact CB-CG2 4.26Å; P243-A267 HydrophobicContact CB-CB 4.13Å; P243-D268 CarbonylContact C-O 3.58Å; P243-D268 WeakPolarHBondContact CA-O 3.44Å; P243-A269 HydrophobicContact CB-CB 3.91Å; P243-A269 HydrophobicContact CG-CB 3.99Å; P243-V273 HydrophobicContact CB-CG2 3.95Å; P243-V273 HydrophobicContact CG-CG2 3.88Å; P243-A314 HydrophobicContact CB-CB 4.13Å; P243-A314 HydrophobicContact CG-CB 4.42Å; P243-N316 HydrophobicContact CG-CB 4.05Å; P243-G319 WeakPolarHBondContact CD-O 3.21Å; P243-R321 WeakPolarHBondContact O-CB 3.5Å; P243-R321 WeakPolarHBondContact O-CG 3.3Å |
| 244 | E | 94.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 42.4 Ų | 42.4 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 106.9 | 166.8 | -170.8 | -173.9 | 134.4 | 0 | 0 | 109.4 | R213 K246 A267 D268 | R213-E244 WeakPolarHBondContact CD-OE2 3.34Å; R213-E244 IonicContact CZ-OE2 3.55Å; R213-E244 IonicContact NE-OE2 2.7Å; R213-E244 IonicContact NH1-OE1 2.99Å; R213-E244 IonicContact NH1-OE2 3.38Å; R213-E244 PolarHBondContact NH1-OE2 2.87Å; E244-K246 WeakPolarHBondContact OE1-CE 3.19Å; E244-K246 IonicContact OE1-NZ 3.86Å; E244-K246 PolarHBondContact OE1-NZ 2.98Å; E244-A267 WeakPolarHBondContact O-CA 3.42Å; E244-D268 PolarHBondContact N-O 3.21Å; E244-D268 PolarHBondContact O-N 3.27Å |
| 245 | V | 96.4 | Very high | 94.3 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 13% | 0.127 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 131.6 | -169.9 | -169 | 0 | 0 | 0 | 0 | 112.2 | P243 C265 R266 A267 C312 A314 R321 | P243-V245 HydrophobicContact CB-CG2 4.26Å; V245-C265 WeakPolarHBondContact CG1-SG 3.42Å; V245-R266 CarbonylContact C-O 3.53Å; V245-R266 WeakPolarHBondContact CA-O 3.4Å; V245-A267 HydrophobicContact CG2-CB 4.18Å; V245-C312 HydrophobicContact CG1-CB 4.36Å; V245-A314 HydrophobicContact CG2-CB 3.64Å; V245-R321 HydrophobicContact CG2-CB 4Å |
| 246 | K | 96.3 | Very high | 94.2 | Very high | 118 Ų | 118 | 44.4 Ų | 44.4 | 51% | 0.513 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.4 | 174.5 | -64.7 | 177.5 | -175.9 | 164.4 | 0 | 109.2 | E244 R266 | E244-K246 WeakPolarHBondContact OE1-CE 3.19Å; E244-K246 IonicContact OE1-NZ 3.86Å; E244-K246 PolarHBondContact OE1-NZ 2.98Å; K246-R266 PolarHBondContact N-O 2.9Å; K246-R266 PolarHBondContact O-N 2.65Å; K246-R266 VanDerWaalsContact O-O 3.04Å |
| 247 | I | 96.6 | Very high | 94 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 15% | 0.154 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.6 | 176.9 | -61.9 | 168.3 | 0 | 0 | 0 | 108.6 | L263 W278 C312 V325 | I247-L263 HydrophobicContact CG2-CB 3.95Å; I247-L263 HydrophobicContact CG2-CD2 4.23Å; I247-L263 HydrophobicContact CG2-CG 4.47Å; I247-W278 HydrophobicContact CD1-CH2 4.12Å; I247-W278 HydrophobicContact CD1-CZ3 3.85Å; I247-W278 HydrophobicContact CG1-CH2 4.08Å; I247-W278 HydrophobicContact CG1-CZ3 4.33Å; I247-W278 HydrophobicContact CG2-CH2 3.79Å; I247-W278 HydrophobicContact CG2-CZ3 4.31Å; I247-C312 HydrophobicContact CD1-CB 3.88Å; I247-C312 HydrophobicContact CG1-CB 4.04Å; I247-V325 HydrophobicContact CB-CB 4.2Å; I247-V325 HydrophobicContact CB-CG1 4.09Å; I247-V325 HydrophobicContact CD1-CB 4.31Å; I247-V325 HydrophobicContact CD1-CG1 3.93Å; I247-V325 HydrophobicContact CG2-CB 4.18Å; I247-V325 HydrophobicContact CG2-CG1 3.61Å |
| 248 | E | 95.8 | Very high | 93.8 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 160.3 | 177.2 | -61.7 | 176 | 161.4 | 0 | 0 | 110.3 | L263 T264 R266 | E248-L263 CarbonylContact O-C 3.52Å; E248-L263 WeakPolarHBondContact O-CA 3.21Å; E248-T264 PolarHBondContact N-O 2.6Å; E248-T264 PolarHBondContact O-N 2.75Å; E248-R266 HydrophobicContact CG-CG 3.99Å; E248-R266 WeakPolarHBondContact OE1-CG 3.35Å; E248-R266 IonicContact OE1-NE 3.02Å; E248-R266 VanDerWaalsContact OE2-CG 3.29Å; E248-R266 WeakPolarHBondContact OE2-CG 3.43Å; E248-R266 IonicContact OE2-CZ 2.68Å; E248-R266 IonicContact OE2-NE 3.81Å; E248-R266 PolarHBondContact OE2-NE 2.67Å; E248-R266 IonicContact OE2-NH2 2.76Å; E248-R266 PolarHBondContact OE2-NH2 3.11Å |
| 249 | G | 92.9 | Very high | 93.5 | Very high | 41 Ų | 41 | 51.4 Ų | 51.4 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | trans | 107.1 | -19.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | W254 Q262 | G249-W254 PolarHBondContact O-NE1 3.02Å; G249-Q262 WeakPolarHBondContact CA-O 3.42Å | ||
| 250 | F | 94.1 | Very high | 93.2 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | trans | -81.9 | 116.5 | 163.4 | -173.5 | -117.4 | 0 | 0 | 0 | 109.3 | W254 L263 V325 D326 V327 | F250-W254 AromaticContact CD2-CD1 3.75Å; F250-W254 AromaticContact CD2-CD2 3.9Å; F250-W254 HydrophobicContact CD2-CD2 3.9Å; F250-W254 AromaticContact CD2-CE2 3.83Å; F250-W254 AromaticContact CD2-CG 3.86Å; F250-W254 HydrophobicContact CD2-CG 3.86Å; F250-W254 HydrophobicContact CD2-CZ2 4.46Å; F250-W254 AromaticContact CD2-NE1 3.75Å; F250-W254 HydrophobicContact CE2-CB 4.12Å; F250-W254 HydrophobicContact CE2-CD2 4.26Å; F250-W254 AromaticContact CE2-CG 3.87Å; F250-W254 HydrophobicContact CE2-CG 3.87Å; F250-L263 HydrophobicContact CB-CD2 3.84Å; F250-V325 HydrophobicContact CB-CG2 3.93Å; F250-V325 HydrophobicContact CD1-CG2 4.08Å; F250-V325 HydrophobicContact CG-CG2 4.29Å; F250-D326 VanDerWaalsContact CE1-O 3.29Å; F250-D326 WeakPolarHBondContact CE1-O 3.07Å; F250-V327 HydrophobicContact CD2-CB 4.33Å; F250-V327 HydrophobicContact CD2-CG1 4.08Å; F250-V327 HydrophobicContact CD2-CG2 4.01Å; F250-V327 HydrophobicContact CE2-CB 4.3Å; F250-V327 HydrophobicContact CE2-CG1 3.92Å; F250-V327 HydrophobicContact CE2-CG2 4.48Å; F250-V327 HydrophobicContact CG-CG2 4.29Å | ||
| 251 | D | 91.1 | Very high | 93.1 | Very high | 87 Ų | 87 | 56.6 Ų | 56.6 | 47% | 0.465 | 29% | 0.289 | S | S | . | . | trans | -102.5 | 12.4 | -178.6 | 62 | 5.4 | 0 | 0 | 0 | 112.8 | N253 W254 R258 | D251-N253 PolarHBondContact O-N 2.8Å; D251-N253 VanDerWaalsContact O-N 3.16Å; D251-N253 WeakPolarHBondContact OD1-CA 3.46Å; D251-N253 PolarHBondContact OD1-N 2.64Å; D251-W254 VanDerWaalsContact OD1-CD1 3.3Å; D251-R258 VanDerWaalsContact CG-NH1 3.25Å; D251-R258 IonicContact OD1-CZ 3.89Å; D251-R258 IonicContact OD1-NH1 2.89Å; D251-R258 PolarHBondContact OD1-NH1 3.27Å; D251-R258 IonicContact OD1-NH2 3.99Å; D251-R258 IonicContact OD2-CZ 3.24Å; D251-R258 VanDerWaalsContact OD2-CZ 3.24Å; D251-R258 IonicContact OD2-NH1 2.8Å; D251-R258 PolarHBondContact OD2-NH1 2.69Å; D251-R258 IonicContact OD2-NH2 2.73Å; D251-R258 PolarHBondContact OD2-NH2 3.01Å | ||
| 252 | G | 90.6 | Very high | 93.1 | Very high | 21 Ų | 21 | 59.5 Ų | 59.5 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 74.2 | -13.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | M334 | G252-M334 WeakPolarHBondContact O-CE 3.28Š|
| 253 | N | 90.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 56.8 Ų | 56.8 | 9% | 0.086 | 29% | 0.29 | C | S | . | . | trans | -115.9 | 44.6 | -168.9 | -173.2 | 38.3 | 0 | 0 | 0 | 112.1 | D251 Y255 R258 P333 M334 | D251-N253 PolarHBondContact O-N 2.8Å; D251-N253 VanDerWaalsContact O-N 3.16Å; D251-N253 WeakPolarHBondContact OD1-CA 3.46Å; D251-N253 PolarHBondContact OD1-N 2.64Å; N253-Y255 VanDerWaalsContact O-CD1 3.31Å; N253-Y255 WeakPolarHBondContact O-CD1 3.46Å; N253-R258 PolarHBondContact O-NH1 3.07Å; N253-P333 WeakPolarHBondContact OD1-CA 3.49Å; N253-M334 HydrophobicContact CB-CE 4.09Å; N253-M334 PolarHBondContact OD1-N 2.8Å | ||
| 254 | W | 93.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | trans | -80.7 | 123.5 | 171.8 | -72.6 | 25.7 | 0 | 0 | 0 | 108.4 | G249 F250 D251 V261 L263 F298 V302 V327 I329 T330 | G249-W254 PolarHBondContact O-NE1 3.02Å; F250-W254 AromaticContact CD2-CD1 3.75Å; F250-W254 AromaticContact CD2-CD2 3.9Å; F250-W254 HydrophobicContact CD2-CD2 3.9Å; F250-W254 AromaticContact CD2-CE2 3.83Å; F250-W254 AromaticContact CD2-CG 3.86Å; F250-W254 HydrophobicContact CD2-CG 3.86Å; F250-W254 HydrophobicContact CD2-CZ2 4.46Å; F250-W254 AromaticContact CD2-NE1 3.75Å; F250-W254 HydrophobicContact CE2-CB 4.12Å; F250-W254 HydrophobicContact CE2-CD2 4.26Å; F250-W254 AromaticContact CE2-CG 3.87Å; F250-W254 HydrophobicContact CE2-CG 3.87Å; D251-W254 VanDerWaalsContact OD1-CD1 3.3Å; W254-V261 HydrophobicContact CD2-CB 4.22Å; W254-V261 HydrophobicContact CD2-CG1 4.3Å; W254-V261 HydrophobicContact CD2-CG2 4.23Å; W254-V261 HydrophobicContact CE3-CB 4.39Å; W254-V261 HydrophobicContact CE3-CG2 3.91Å; W254-V261 HydrophobicContact CH2-CB 3.87Å; W254-V261 HydrophobicContact CH2-CG2 3.65Å; W254-V261 HydrophobicContact CZ2-CB 3.66Å; W254-V261 HydrophobicContact CZ2-CG1 4.45Å; W254-V261 HydrophobicContact CZ2-CG2 3.98Å; W254-V261 HydrophobicContact CZ3-CB 4.23Å; W254-V261 HydrophobicContact CZ3-CG2 3.61Å; W254-L263 HydrophobicContact CH2-CD2 3.95Å; W254-L263 HydrophobicContact CH2-CG 3.98Å; W254-L263 HydrophobicContact CZ2-CD2 3.86Å; W254-L263 HydrophobicContact CZ2-CG 4.35Å; W254-F298 AromaticContact CH2-CD2 3.83Å; W254-F298 HydrophobicContact CH2-CD2 3.83Å; W254-F298 AromaticContact CH2-CE2 3.62Å; W254-F298 HydrophobicContact CH2-CE2 3.62Å; W254-F298 HydrophobicContact CH2-CG 4.49Å; W254-F298 HydrophobicContact CH2-CZ 4.07Å; W254-F298 HydrophobicContact CZ3-CD1 4.46Å; W254-F298 HydrophobicContact CZ3-CD2 4.15Å; W254-F298 HydrophobicContact CZ3-CE1 4.29Å; W254-F298 HydrophobicContact CZ3-CE2 4.01Å; W254-F298 HydrophobicContact CZ3-CG 4.39Å; W254-F298 HydrophobicContact CZ3-CZ 4.06Å; W254-V302 HydrophobicContact CE3-CG2 4.48Å; W254-V327 HydrophobicContact CD2-CG1 4.15Å; W254-V327 HydrophobicContact CE3-CG1 3.49Å; W254-V327 VanDerWaalsContact CE3-CG1 3.49Å; W254-V327 HydrophobicContact CZ3-CG1 3.82Å; W254-I329 WeakPolarHBondContact O-CA 3.37Å; W254-T330 PolarHBondContact O-N 2.89Å; W254-T330 PolarHBondContact O-OG1 3.43Å | ||
| 255 | Y | 92.4 | Very high | 93.3 | Very high | 69 Ų | 69 | 53.9 Ų | 53.9 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | B | Isolated β-bridge | trans | -132 | 156.6 | -176.1 | 61.2 | -92.8 | 0 | 0 | 0 | 111.4 | N253 N257 R258 V302 T330 P333 | N253-Y255 VanDerWaalsContact O-CD1 3.31Å; N253-Y255 WeakPolarHBondContact O-CD1 3.46Å; Y255-N257 PolarHBondContact O-N 3.36Å; Y255-R258 HydrophobicContact CD1-CB 4.36Å; Y255-R258 HydrophobicContact CD2-CB 4.11Å; Y255-R258 HydrophobicContact CE1-CB 4.16Å; Y255-R258 HydrophobicContact CE1-CG 4.11Å; Y255-R258 HydrophobicContact CE2-CB 3.91Å; Y255-R258 HydrophobicContact CG-CB 4.32Å; Y255-R258 WeakPolarHBondContact O-CB 3.45Å; Y255-R258 PolarHBondContact O-N 3.47Å; Y255-V302 WeakPolarHBondContact O-CB 3.27Å; Y255-T330 CarbonylContact C-O 3.59Å; Y255-T330 WeakPolarHBondContact CA-O 2.96Å; Y255-T330 WeakPolarHBondContact CB-OG1 3.18Å; Y255-P333 HydrophobicContact CD1-CB 3.7Å; Y255-P333 HydrophobicContact CE1-CB 3.8Å; Y255-P333 HydrophobicContact CG-CB 4.15Å |
| 256 | L | 92.3 | Very high | 93.3 | Very high | 43 Ų | 43 | 59 Ų | 59 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 137.3 | -178.6 | -66.3 | 177.6 | 0 | 0 | 0 | 112.2 | R258 V302 Y304 I329 T330 E331 | L256-R258 PolarHBondContact O-N 2.94Å; L256-V302 WeakPolarHBondContact CA-O 3.34Å; L256-Y304 HydrophobicContact CD1-CE2 3.82Å; L256-Y304 HydrophobicContact CD2-CD1 4.43Å; L256-Y304 HydrophobicContact CD2-CD2 3.99Å; L256-Y304 HydrophobicContact CD2-CE1 4.47Å; L256-Y304 HydrophobicContact CD2-CE2 4.06Å; L256-Y304 HydrophobicContact CD2-CG 4.2Å; L256-Y304 HydrophobicContact CG-CE2 4.43Å; L256-I329 HydrophobicContact CD2-CG2 4.21Å; L256-T330 PolarHBondContact N-O 2.84Å; L256-E331 HydrophobicContact CD1-CG 4.27Å |
| 257 | N | 90.4 | Very high | 93.3 | Very high | 118 Ų | 118 | 54.3 Ų | 54.3 | 63% | 0.631 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 4.3 | -177 | -53.1 | -63.6 | 0 | 0 | 0 | 116.5 | Y255 P301 V302 | Y255-N257 PolarHBondContact O-N 3.36Å; N257-P301 HydrophobicContact CB-CB 4.47Å; N257-V302 PolarHBondContact N-O 3.29Å |
| 258 | R | 90.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 21% | 0.211 | 29% | 0.288 | C | S | . | . | trans | -59.6 | 140 | 165.2 | -172.3 | 177 | 176.8 | 174.1 | -4.3 | 109.3 | D251 N253 Y255 L256 V261 P301 V302 | D251-R258 VanDerWaalsContact CG-NH1 3.25Å; D251-R258 IonicContact OD1-CZ 3.89Å; D251-R258 IonicContact OD1-NH1 2.89Å; D251-R258 PolarHBondContact OD1-NH1 3.27Å; D251-R258 IonicContact OD1-NH2 3.99Å; D251-R258 IonicContact OD2-CZ 3.24Å; D251-R258 VanDerWaalsContact OD2-CZ 3.24Å; D251-R258 IonicContact OD2-NH1 2.8Å; D251-R258 PolarHBondContact OD2-NH1 2.69Å; D251-R258 IonicContact OD2-NH2 2.73Å; D251-R258 PolarHBondContact OD2-NH2 3.01Å; N253-R258 PolarHBondContact O-NH1 3.07Å; Y255-R258 HydrophobicContact CD1-CB 4.36Å; Y255-R258 HydrophobicContact CD2-CB 4.11Å; Y255-R258 HydrophobicContact CE1-CB 4.16Å; Y255-R258 HydrophobicContact CE1-CG 4.11Å; Y255-R258 HydrophobicContact CE2-CB 3.91Å; Y255-R258 HydrophobicContact CG-CB 4.32Å; Y255-R258 WeakPolarHBondContact O-CB 3.45Å; Y255-R258 PolarHBondContact O-N 3.47Å; L256-R258 PolarHBondContact O-N 2.94Å; R258-V261 HydrophobicContact CG-CG1 3.85Å; R258-P301 CarbonylContact O-C 3.59Å; R258-P301 WeakPolarHBondContact O-CA 3.45Å; R258-V302 HydrophobicContact CB-CB 4.29Å; R258-V302 HydrophobicContact CB-CG2 4.12Å; R258-V302 WeakPolarHBondContact O-CG2 3.29Å; R258-V302 PolarHBondContact O-N 2.89Å | ||
| 259 | Q | 90.1 | Very high | 93.2 | Very high | 125 Ų | 125 | 52.5 Ų | 52.5 | 58% | 0.584 | 27% | 0.273 | S | S | * | . | trans | -116 | 166.4 | -179.9 | -63.8 | -177.1 | 5.4 | 0 | 0 | 111.2 | V261 | Q259-V261 VanDerWaalsContact C-N 3.32Å; Q259-V261 PolarHBondContact O-N 3.44Å | ||
| 260 | N | 88.6 | Confident | 93.4 | Very high | 145 Ų | 145 | 51.8 Ų | 51.8 | 78% | 0.775 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 57.8 | 38.6 | 173 | -53 | -46.3 | 0 | 0 | 0 | 114 | ||
| 261 | V | 92.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | trans | -87.6 | 146.4 | 172.7 | -55.5 | 0 | 0 | 0 | 0 | 111 | W254 R258 Q259 F298 V302 | W254-V261 HydrophobicContact CD2-CB 4.22Å; W254-V261 HydrophobicContact CD2-CG1 4.3Å; W254-V261 HydrophobicContact CD2-CG2 4.23Å; W254-V261 HydrophobicContact CE3-CB 4.39Å; W254-V261 HydrophobicContact CE3-CG2 3.91Å; W254-V261 HydrophobicContact CH2-CB 3.87Å; W254-V261 HydrophobicContact CH2-CG2 3.65Å; W254-V261 HydrophobicContact CZ2-CB 3.66Å; W254-V261 HydrophobicContact CZ2-CG1 4.45Å; W254-V261 HydrophobicContact CZ2-CG2 3.98Å; W254-V261 HydrophobicContact CZ3-CB 4.23Å; W254-V261 HydrophobicContact CZ3-CG2 3.61Å; R258-V261 HydrophobicContact CG-CG1 3.85Å; Q259-V261 VanDerWaalsContact C-N 3.32Å; Q259-V261 PolarHBondContact O-N 3.44Å; V261-F298 HydrophobicContact CG2-CB 3.72Å; V261-F298 HydrophobicContact CG2-CD2 4.07Å; V261-F298 HydrophobicContact CG2-CG 3.97Å; V261-F298 PolarHBondContact O-N 2.82Å; V261-V302 HydrophobicContact CB-CG2 4.46Å; V261-V302 HydrophobicContact CG1-CG2 4Å; V261-V302 HydrophobicContact CG2-CG2 3.58Å | ||
| 262 | Q | 94.9 | Very high | 93.7 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 152.9 | -179.7 | 61.1 | 178 | 73.7 | 0 | 0 | 110.6 | G249 T264 T295 L296 F297 | G249-Q262 WeakPolarHBondContact CA-O 3.42Å; Q262-T264 PolarHBondContact NE2-OG1 3.33Å; Q262-T295 HydrophobicContact CB-CG2 4.11Å; Q262-T295 HydrophobicContact CG-CG2 4.47Å; Q262-L296 CarbonylContact C-O 3.53Å; Q262-L296 VanDerWaalsContact CA-O 3.25Å; Q262-L296 WeakPolarHBondContact CA-O 3.18Å; Q262-F297 HydrophobicContact CB-CD1 4.14Å; Q262-F297 HydrophobicContact CB-CE1 4.41Å; Q262-F297 VanDerWaalsContact OE1-CE1 3.29Å |
| 263 | L | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 127.1 | 167.6 | -61.2 | 175.2 | 0 | 0 | 0 | 109.5 | I247 E248 F250 W254 W278 T295 L296 F298 Y310 V325 V327 | I247-L263 HydrophobicContact CG2-CB 3.95Å; I247-L263 HydrophobicContact CG2-CD2 4.23Å; I247-L263 HydrophobicContact CG2-CG 4.47Å; E248-L263 CarbonylContact O-C 3.52Å; E248-L263 WeakPolarHBondContact O-CA 3.21Å; F250-L263 HydrophobicContact CB-CD2 3.84Å; W254-L263 HydrophobicContact CH2-CD2 3.95Å; W254-L263 HydrophobicContact CH2-CG 3.98Å; W254-L263 HydrophobicContact CZ2-CD2 3.86Å; W254-L263 HydrophobicContact CZ2-CG 4.35Å; L263-W278 HydrophobicContact CB-CH2 3.66Å; L263-W278 HydrophobicContact CB-CZ2 4.32Å; L263-W278 HydrophobicContact CB-CZ3 4.21Å; L263-W278 HydrophobicContact CD1-CZ3 4.39Å; L263-W278 WeakPolarHBondContact O-CZ2 3.2Å; L263-T295 CarbonylContact O-C 3.52Å; L263-T295 WeakPolarHBondContact O-CA 3.32Å; L263-T295 WeakPolarHBondContact O-CG2 3.39Å; L263-L296 HydrophobicContact CB-CB 4.27Å; L263-L296 HydrophobicContact CD1-CD2 4.4Å; L263-L296 PolarHBondContact N-O 2.83Å; L263-L296 PolarHBondContact O-N 2.89Å; L263-F298 HydrophobicContact CD1-CE2 4.17Å; L263-F298 HydrophobicContact CD1-CZ 4.13Å; L263-F298 HydrophobicContact CG-CE2 3.94Å; L263-F298 HydrophobicContact CG-CZ 4.4Å; L263-Y310 HydrophobicContact CD1-CD1 4.31Å; L263-Y310 HydrophobicContact CD1-CD2 4.05Å; L263-Y310 HydrophobicContact CD1-CG 3.81Å; L263-V325 HydrophobicContact CD1-CG1 3.85Å; L263-V325 HydrophobicContact CD2-CG1 4.35Å; L263-V327 HydrophobicContact CD1-CG2 4.07Å; L263-V327 HydrophobicContact CD2-CG2 4.48Å |
| 264 | T | 96.8 | Very high | 94.3 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 8% | 0.08 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120 | -178.4 | -56.6 | 0 | 0 | 0 | 0 | 109.7 | E248 Q262 R266 | E248-T264 PolarHBondContact N-O 2.6Å; E248-T264 PolarHBondContact O-N 2.75Å; Q262-T264 PolarHBondContact NE2-OG1 3.33Å; T264-R266 PolarHBondContact O-N 2.67Å |
| 265 | C | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 112.9 | 177.8 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | V245 Y276 W278 N294 C312 | V245-C265 WeakPolarHBondContact CG1-SG 3.42Å; C265-Y276 HydrophobicContact CB-CD1 4.11Å; C265-Y276 HydrophobicContact CB-CE1 4.24Å; C265-W278 HydrophobicContact CB-CH2 4.13Å; C265-W278 HydrophobicContact CB-CZ2 3.58Å; C265-N294 HydrophobicContact CB-CB 4.46Å; C265-N294 VanDerWaalsContact CB-O 3.27Å; C265-N294 WeakPolarHBondContact CB-O 3.35Å; C265-N294 PolarHBondContact N-O 3.47Å; C265-N294 WeakPolarHBondContact O-CB 3.21Å; C265-N294 PolarHBondContact O-ND2 3.06Å; C265-C312 HydrophobicContact CB-CB 3.73Å; C265-C312 WeakPolarHBondContact CB-SG 3.43Å; C265-C312 WeakPolarHBondContact SG-CB 3.44Å; C265-C312 CovalentContact SG-SG 2.03Å; C265-C312 PolarHBondContact SG-SG 2.83Å |
| 266 | R | 96.5 | Very high | 94.5 | Very high | 129 Ų | 129 | 59.9 Ų | 59.9 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 132 | 169.4 | -60.3 | -58.2 | -176.9 | -176.3 | -2.9 | 108.8 | V245 K246 E248 T264 | V245-R266 CarbonylContact C-O 3.53Å; V245-R266 WeakPolarHBondContact CA-O 3.4Å; K246-R266 PolarHBondContact N-O 2.9Å; K246-R266 PolarHBondContact O-N 2.65Å; K246-R266 VanDerWaalsContact O-O 3.04Å; E248-R266 HydrophobicContact CG-CG 3.99Å; E248-R266 WeakPolarHBondContact OE1-CG 3.35Å; E248-R266 IonicContact OE1-NE 3.02Å; E248-R266 VanDerWaalsContact OE2-CG 3.29Å; E248-R266 WeakPolarHBondContact OE2-CG 3.43Å; E248-R266 IonicContact OE2-CZ 2.68Å; E248-R266 IonicContact OE2-NE 3.81Å; E248-R266 PolarHBondContact OE2-NE 2.67Å; E248-R266 IonicContact OE2-NH2 2.76Å; E248-R266 PolarHBondContact OE2-NH2 3.11Å; T264-R266 PolarHBondContact O-N 2.67Å |
| 267 | A | 96.2 | Very high | 94.6 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 113.6 | 176 | 0 | 0 | 0 | 0 | 0 | 109.3 | P243 E244 V245 V273 Y276 A314 | P243-A267 HydrophobicContact CB-CB 4.13Å; E244-A267 WeakPolarHBondContact O-CA 3.42Å; V245-A267 HydrophobicContact CG2-CB 4.18Å; A267-V273 HydrophobicContact CB-CG2 3.73Å; A267-Y276 HydrophobicContact CB-CE1 3.95Å; A267-A314 HydrophobicContact CB-CB 3.72Å |
| 268 | D | 95.6 | Very high | 94.9 | Very high | 69 Ų | 69 | 56.5 Ų | 56.5 | 37% | 0.369 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 122.1 | 175.6 | -169.8 | 12 | 0 | 0 | 0 | 109.5 | R213 Y241 P243 E244 | R213-D268 IonicContact CZ-OD2 2.98Å; R213-D268 IonicContact NE-OD2 2.82Å; R213-D268 PolarHBondContact NE-OD2 3.13Å; R213-D268 IonicContact NH2-OD2 3.47Å; R213-D268 PolarHBondContact NH2-OD2 2.86Å; Y241-D268 PolarHBondContact OH-OD1 3.47Å; P243-D268 CarbonylContact C-O 3.58Å; P243-D268 WeakPolarHBondContact CA-O 3.44Å; E244-D268 PolarHBondContact N-O 3.21Å; E244-D268 PolarHBondContact O-N 3.27Å |
| 269 | A | 95.8 | Very high | 95 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 146.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P243 P271 V273 N316 | P243-A269 HydrophobicContact CB-CB 3.91Å; P243-A269 HydrophobicContact CG-CB 3.99Å; A269-P271 CarbonylContact C-O 3.37Å; A269-V273 HydrophobicContact CB-CG2 3.79Å; A269-N316 HydrophobicContact CB-CB 4.44Å |
| 270 | N | 96.6 | Very high | 95.1 | Very high | 26 Ų | 26 | 54.4 Ų | 54.4 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 119.5 | 167.1 | -178.3 | 38.1 | 0 | 0 | 0 | 110.3 | H216 N238 V239 Q240 Y241 | H216-N270 PolarHBondContact CE1-ND2 2.84Å; H216-N270 PolarHBondContact ND1-ND2 2.84Å; N238-N270 PolarHBondContact OD1-ND2 2.74Å; V239-N270 PolarHBondContact O-ND2 2.87Å; Q240-N270 CarbonylContact C-O 3.56Å; Q240-N270 WeakPolarHBondContact CA-O 3.4Å; Q240-N270 VanDerWaalsContact CB-O 3.27Å; Q240-N270 WeakPolarHBondContact CB-O 3.36Å; Y241-N270 HydrophobicContact CD1-CB 4.01Å; Y241-N270 HydrophobicContact CE1-CB 3.58Å; Y241-N270 PolarHBondContact N-O 3.13Å; Y241-N270 VanDerWaalsContact O-O 3.06Å |
| 271 | P | 96.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 52.8 Ų | 52.8 | 25% | 0.253 | 27% | 0.273 | S | S | . | . | S | Bend | cis | -64.1 | 167.5 | -4.3 | 31.4 | -35.7 | 0 | 0 | 0 | 111.9 | A269 N316 | A269-P271 CarbonylContact C-O 3.37Å; P271-N316 WeakPolarHBondContact O-CB 3.38Å; P271-N316 PolarHBondContact O-ND2 3.14Å |
| 272 | P | 96.3 | Very high | 94.6 | Very high | 96 Ų | 96 | 59.5 Ų | 59.5 | 62% | 0.623 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 154.4 | 178.9 | -27.2 | 35.9 | 0 | 0 | 0 | 113.8 | T274 | P272-T274 PolarHBondContact O-N 2.56Š|
| 273 | V | 96.3 | Very high | 93.9 | Very high | 25 Ų | 25 | 58.2 Ų | 58.2 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 131.5 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | P243 A267 A269 I275 Y276 A314 I315 | P243-V273 HydrophobicContact CB-CG2 3.95Å; P243-V273 HydrophobicContact CG-CG2 3.88Å; A267-V273 HydrophobicContact CB-CG2 3.73Å; A269-V273 HydrophobicContact CB-CG2 3.79Å; V273-I275 VanDerWaalsContact CG1-O 3.31Å; V273-I275 WeakPolarHBondContact CG1-O 3.09Å; V273-Y276 HydrophobicContact CB-CE2 4Å; V273-Y276 HydrophobicContact CG1-CD1 4.34Å; V273-Y276 HydrophobicContact CG1-CD2 3.87Å; V273-Y276 HydrophobicContact CG1-CE1 4.03Å; V273-Y276 HydrophobicContact CG1-CE2 3.49Å; V273-Y276 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y276 HydrophobicContact CG1-CG 4.28Å; V273-A314 HydrophobicContact CG1-CB 4.03Å; V273-A314 HydrophobicContact CG2-CB 4.19Å; V273-I315 WeakPolarHBondContact CA-O 3.25Å; V273-I315 WeakPolarHBondContact CG1-O 3.27Å |
| 274 | T | 95.6 | Very high | 93.3 | Very high | 107 Ų | 107 | 63.1 Ų | 63.1 | 66% | 0.656 | 35% | 0.351 | S | S | * | . | trans | -98 | -30 | 179.7 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | P272 I315 | P272-T274 PolarHBondContact O-N 2.56Å; T274-I315 PolarHBondContact N-O 2.88Å; T274-I315 PolarHBondContact OG1-O 3.23Å | ||
| 275 | I | 95.3 | Very high | 92.9 | Very high | 83 Ų | 83 | 64.7 Ų | 64.7 | 43% | 0.426 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 132.3 | -176.6 | -56.1 | 172.5 | 0 | 0 | 0 | 109.9 | V273 Q277 I315 | V273-I275 VanDerWaalsContact CG1-O 3.31Å; V273-I275 WeakPolarHBondContact CG1-O 3.09Å; I275-Q277 HydrophobicContact CG2-CG 4Å; I275-I315 HydrophobicContact CB-CB 4.24Å; I275-I315 HydrophobicContact CB-CD1 4.24Å; I275-I315 HydrophobicContact CB-CG1 4.48Å; I275-I315 HydrophobicContact CG2-CD1 4.26Å; I275-I315 PolarHBondContact N-O 3.43Å; I275-I315 PolarHBondContact O-N 3.46Å |
| 276 | Y | 96 | Very high | 92.3 | Very high | 65 Ų | 65 | 65.7 Ų | 65.7 | 26% | 0.255 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.4 | 165.3 | -69.4 | -89.3 | 0 | 0 | 0 | 109.1 | C265 A267 V273 N294 V313 A314 | C265-Y276 HydrophobicContact CB-CD1 4.11Å; C265-Y276 HydrophobicContact CB-CE1 4.24Å; A267-Y276 HydrophobicContact CB-CE1 3.95Å; V273-Y276 HydrophobicContact CB-CE2 4Å; V273-Y276 HydrophobicContact CG1-CD1 4.34Å; V273-Y276 HydrophobicContact CG1-CD2 3.87Å; V273-Y276 HydrophobicContact CG1-CE1 4.03Å; V273-Y276 HydrophobicContact CG1-CE2 3.49Å; V273-Y276 VanDerWaalsContact CG1-CE2 3.49Å; V273-Y276 HydrophobicContact CG1-CG 4.28Å; Y276-N294 HydrophobicContact CD1-CB 3.83Å; Y276-N294 HydrophobicContact CD2-CB 3.8Å; Y276-N294 HydrophobicContact CE1-CB 3.84Å; Y276-N294 HydrophobicContact CE2-CB 3.82Å; Y276-N294 HydrophobicContact CG-CB 3.8Å; Y276-V313 CarbonylContact C-O 3.51Å; Y276-V313 WeakPolarHBondContact CA-O 3.41Å; Y276-A314 HydrophobicContact CD1-CB 4.26Å; Y276-A314 HydrophobicContact CE1-CB 4.16Å |
| 277 | Q | 94.4 | Very high | 91.7 | Very high | 77 Ų | 77 | 65.9 Ų | 65.9 | 36% | 0.36 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.2 | 171.1 | -53.1 | 179.9 | -3.9 | 0 | 0 | 109.7 | I275 V313 | I275-Q277 HydrophobicContact CG2-CG 4Å; Q277-V313 HydrophobicContact CB-CB 4.18Å; Q277-V313 HydrophobicContact CB-CG2 4.47Å; Q277-V313 PolarHBondContact N-O 3.28Å; Q277-V313 PolarHBondContact O-N 3.03Å |
| 278 | W | 95.3 | Very high | 91.2 | Very high | 13 Ų | 13 | 66.7 Ų | 66.7 | 5% | 0.049 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 140.4 | 173 | -73.9 | 96.7 | 0 | 0 | 0 | 110.9 | I247 L263 C265 L285 I291 N294 L296 V311 C312 | I247-W278 HydrophobicContact CD1-CH2 4.12Å; I247-W278 HydrophobicContact CD1-CZ3 3.85Å; I247-W278 HydrophobicContact CG1-CH2 4.08Å; I247-W278 HydrophobicContact CG1-CZ3 4.33Å; I247-W278 HydrophobicContact CG2-CH2 3.79Å; I247-W278 HydrophobicContact CG2-CZ3 4.31Å; L263-W278 HydrophobicContact CB-CH2 3.66Å; L263-W278 HydrophobicContact CB-CZ2 4.32Å; L263-W278 HydrophobicContact CB-CZ3 4.21Å; L263-W278 HydrophobicContact CD1-CZ3 4.39Å; L263-W278 WeakPolarHBondContact O-CZ2 3.2Å; C265-W278 HydrophobicContact CB-CH2 4.13Å; C265-W278 HydrophobicContact CB-CZ2 3.58Å; W278-L285 HydrophobicContact CB-CD1 4.01Å; W278-I291 HydrophobicContact CB-CD1 3.98Å; W278-I291 HydrophobicContact CB-CG1 4.24Å; W278-I291 HydrophobicContact CG-CG1 4.47Å; W278-N294 WeakPolarHBondContact CZ2-O 3.31Å; W278-N294 PolarHBondContact NE1-O 2.78Å; W278-L296 HydrophobicContact CB-CD1 3.93Å; W278-L296 HydrophobicContact CD2-CB 3.94Å; W278-L296 HydrophobicContact CD2-CD1 4.24Å; W278-L296 HydrophobicContact CD2-CD2 4.13Å; W278-L296 HydrophobicContact CD2-CG 4.35Å; W278-L296 HydrophobicContact CE3-CB 4.33Å; W278-L296 HydrophobicContact CE3-CD2 3.89Å; W278-L296 HydrophobicContact CG-CB 4.32Å; W278-L296 HydrophobicContact CG-CD1 3.87Å; W278-L296 HydrophobicContact CG-CG 4.49Å; W278-L296 HydrophobicContact CH2-CB 4.36Å; W278-L296 HydrophobicContact CZ2-CB 3.98Å; W278-L296 HydrophobicContact CZ3-CD2 4.28Å; W278-V311 WeakPolarHBondContact CA-O 3.27Å; W278-C312 HydrophobicContact CD2-CB 4.29Å; W278-C312 HydrophobicContact CE3-CB 4.06Å; W278-C312 HydrophobicContact CH2-CB 4.12Å; W278-C312 HydrophobicContact CZ2-CB 4.33Å; W278-C312 HydrophobicContact CZ3-CB 3.98Å |
| 279 | K | 92.8 | Very high | 91 | Very high | 106 Ų | 106 | 64.6 Ų | 64.6 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 152.5 | 177.6 | -58.3 | -177.3 | -175.2 | 178.4 | 0 | 109.2 | V311 V313 | K279-V311 HydrophobicContact CB-CB 4.5Å; K279-V311 PolarHBondContact N-O 3.33Å; K279-V311 PolarHBondContact O-N 3.28Å; K279-V313 HydrophobicContact CD-CG2 4.4Å |
| 280 | L | 92.9 | Very high | 90.8 | Very high | 32 Ų | 32 | 66.9 Ų | 66.9 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 135.8 | 165.9 | -168.1 | 72.4 | 0 | 0 | 0 | 107.2 | N282 G283 S284 L285 Y310 | L280-N282 VanDerWaalsContact C-N 3.28Å; L280-N282 PolarHBondContact O-N 2.87Å; L280-G283 VanDerWaalsContact O-O 3.12Å; L280-S284 WeakPolarHBondContact CD2-O 3.44Å; L280-L285 HydrophobicContact CB-CD2 4.46Å; L280-Y310 HydrophobicContact CD1-CD1 3.94Å; L280-Y310 HydrophobicContact CD1-CD2 4.16Å; L280-Y310 HydrophobicContact CD1-CE1 3.76Å; L280-Y310 HydrophobicContact CD1-CE2 3.98Å; L280-Y310 HydrophobicContact CD1-CG 4.13Å |
| 281 | L | 88.7 | Confident | 90.6 | Very high | 110 Ų | 110 | 69.5 Ų | 69.5 | 58% | 0.576 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -37.6 | -172.6 | -168.6 | 72.2 | 0 | 0 | 0 | 112.5 | T309 V311 | L281-T309 HydrophobicContact CB-CG2 3.99Å; L281-T309 HydrophobicContact CD2-CG2 3.97Å; L281-T309 PolarHBondContact N-O 3.17Å; L281-V311 HydrophobicContact CB-CG2 4.35Å; L281-V311 HydrophobicContact CD1-CG2 4.15Å |
| 282 | N | 82.1 | Confident | 90.3 | Very high | 148 Ų | 148 | 72.7 Ų | 72.7 | 79% | 0.791 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 24.2 | -172.3 | -63.8 | -16.3 | 0 | 0 | 0 | 113.5 | L280 | L280-N282 VanDerWaalsContact C-N 3.28Å; L280-N282 PolarHBondContact O-N 2.87Å |
| 283 | G | 79.3 | Confident | 90.1 | Very high | 49 Ų | 49 | 75 Ų | 75 | 51% | 0.505 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | 172.6 | -166.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L280 | L280-G283 VanDerWaalsContact O-O 3.12Å |
| 284 | S | 85 | Confident | 89.9 | Confident | 104 Ų | 104 | 75.3 Ų | 75.3 | 73% | 0.727 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -76.5 | 157.2 | 165.5 | 52.3 | 0 | 0 | 0 | 0 | 111 | L280 | L280-S284 WeakPolarHBondContact CD2-O 3.44Š|
| 285 | L | 87.7 | Confident | 90 | Very high | 46 Ų | 46 | 70.8 Ų | 70.8 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 142.3 | 167.7 | -70.6 | 169.3 | 0 | 0 | 0 | 110.2 | W278 L280 I291 L296 Y310 | W278-L285 HydrophobicContact CB-CD1 4.01Å; L280-L285 HydrophobicContact CB-CD2 4.46Å; L285-I291 HydrophobicContact CD1-CD1 3.81Å; L285-I291 HydrophobicContact CD1-CG1 4.34Å; L285-L296 HydrophobicContact CD1-CD1 4.26Å; L285-L296 HydrophobicContact CD2-CD1 4.37Å; L285-L296 HydrophobicContact CD2-CD2 4.24Å; L285-Y310 HydrophobicContact CD2-CD1 4.18Å; L285-Y310 HydrophobicContact CD2-CE1 4.17Å |
| 286 | P | 84.5 | Confident | 89.9 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 149.2 | 175.9 | -25 | 35 | 0 | 0 | 0 | 112.7 | N288 V289 L306 | P286-N288 WeakPolarHBondContact CB-OD1 3.46Å; P286-N288 PolarHBondContact O-N 2.82Å; P286-V289 HydrophobicContact CB-CG2 3.99Å; P286-V289 HydrophobicContact CG-CG2 4.3Å; P286-V289 WeakPolarHBondContact O-CB 3.41Å; P286-V289 PolarHBondContact O-N 3.15Å; P286-L306 HydrophobicContact CB-CD2 3.81Å; P286-L306 HydrophobicContact CG-CD2 3.82Å |
| 287 | S | 84.2 | Confident | 89.9 | Confident | 132 Ų | 132 | 66.9 Ų | 66.9 | 92% | 0.923 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -21.5 | -175.6 | 56 | 0 | 0 | 0 | 0 | 114 | V289 | S287-V289 PolarHBondContact O-N 2.95Š|
| 288 | N | 85.8 | Confident | 89.8 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 20% | 0.198 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 22.4 | 173.7 | 61.6 | -20.9 | 0 | 0 | 0 | 113 | P286 K299 L306 | P286-N288 WeakPolarHBondContact CB-OD1 3.46Å; P286-N288 PolarHBondContact O-N 2.82Å; N288-K299 VanDerWaalsContact O-CB 3.31Å; N288-K299 WeakPolarHBondContact O-CB 3.37Å; N288-K299 PolarHBondContact O-N 2.82Å; N288-L306 WeakPolarHBondContact OD1-CD2 3.34Å |
| 289 | V | 90.3 | Very high | 89.5 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.3 | -179.6 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | P286 S287 L296 F297 F298 L306 | P286-V289 HydrophobicContact CB-CG2 3.99Å; P286-V289 HydrophobicContact CG-CG2 4.3Å; P286-V289 WeakPolarHBondContact O-CB 3.41Å; P286-V289 PolarHBondContact O-N 3.15Å; S287-V289 PolarHBondContact O-N 2.95Å; V289-L296 HydrophobicContact CG1-CD1 3.24Å; V289-L296 HydrophobicContact CG1-CD2 4.09Å; V289-L296 HydrophobicContact CG1-CG 3.4Å; V289-L296 VanDerWaalsContact CG1-CG 3.4Å; V289-F297 CarbonylContact C-O 3.59Å; V289-F297 WeakPolarHBondContact CA-O 3.36Å; V289-F298 HydrophobicContact CG2-CD1 3.56Å; V289-F298 HydrophobicContact CG2-CE1 3.72Å; V289-F298 HydrophobicContact CG2-CG 4.31Å; V289-L306 HydrophobicContact CG2-CD2 4.31Å |
| 290 | E | 91.8 | Very high | 89.2 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 29% | 0.294 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.9 | 177.4 | -177.2 | 177.9 | -178.9 | 0 | 0 | 111.1 | K292 F297 K299 | E290-K292 HydrophobicContact CG-CG 4.22Å; E290-K292 WeakPolarHBondContact OE1-CE 3.14Å; E290-K292 IonicContact OE1-NZ 3.53Å; E290-K292 IonicContact OE2-NZ 3.94Å; E290-F297 PolarHBondContact N-O 3.22Å; E290-F297 PolarHBondContact O-N 2.95Å; E290-K299 WeakPolarHBondContact OE2-CE 3.06Å; E290-K299 IonicContact OE2-NZ 2.71Å; E290-K299 PolarHBondContact OE2-NZ 2.93Å |
| 291 | I | 92.8 | Very high | 89.1 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.8 | 172 | -58.2 | 165.1 | 0 | 0 | 0 | 108.6 | W278 L285 L296 | W278-I291 HydrophobicContact CB-CD1 3.98Å; W278-I291 HydrophobicContact CB-CG1 4.24Å; W278-I291 HydrophobicContact CG-CG1 4.47Å; L285-I291 HydrophobicContact CD1-CD1 3.81Å; L285-I291 HydrophobicContact CD1-CG1 4.34Å; I291-L296 HydrophobicContact CG1-CD1 3.57Å |
| 292 | K | 90.3 | Very high | 89.3 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 46% | 0.457 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 116.7 | 163.3 | -54.5 | -178.9 | 178.9 | 178.1 | 0 | 109.1 | E290 N294 T295 F297 | E290-K292 HydrophobicContact CG-CG 4.22Å; E290-K292 WeakPolarHBondContact OE1-CE 3.14Å; E290-K292 IonicContact OE1-NZ 3.53Å; E290-K292 IonicContact OE2-NZ 3.94Å; K292-N294 PolarHBondContact O-N 2.9Å; K292-N294 VanDerWaalsContact O-N 3.13Å; K292-T295 PolarHBondContact N-O 2.02Å; K292-T295 PolarHBondContact O-N 2.94Å; K292-F297 HydrophobicContact CB-CD2 4.21Å; K292-F297 HydrophobicContact CB-CE2 3.87Å; K292-F297 HydrophobicContact CD-CD2 4.24Å; K292-F297 HydrophobicContact CD-CE2 4.1Å; K292-F297 HydrophobicContact CG-CD2 4.11Å; K292-F297 HydrophobicContact CG-CE2 4.14Å |
| 293 | N | 90.2 | Very high | 89.8 | Confident | 144 Ų | 144 | 56.3 Ų | 56.3 | 77% | 0.77 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -114.4 | -176.4 | -57.2 | -24 | 0 | 0 | 0 | 111.7 | ||
| 294 | N | 94 | Very high | 90.2 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 2.9 | 179.3 | 71.1 | -38.5 | 0 | 0 | 0 | 113.8 | C265 Y276 W278 K292 | C265-N294 HydrophobicContact CB-CB 4.46Å; C265-N294 VanDerWaalsContact CB-O 3.27Å; C265-N294 WeakPolarHBondContact CB-O 3.35Å; C265-N294 PolarHBondContact N-O 3.47Å; C265-N294 WeakPolarHBondContact O-CB 3.21Å; C265-N294 PolarHBondContact O-ND2 3.06Å; Y276-N294 HydrophobicContact CD1-CB 3.83Å; Y276-N294 HydrophobicContact CD2-CB 3.8Å; Y276-N294 HydrophobicContact CE1-CB 3.84Å; Y276-N294 HydrophobicContact CE2-CB 3.82Å; Y276-N294 HydrophobicContact CG-CB 3.8Å; W278-N294 WeakPolarHBondContact CZ2-O 3.31Å; W278-N294 PolarHBondContact NE1-O 2.78Å; K292-N294 PolarHBondContact O-N 2.9Å; K292-N294 VanDerWaalsContact O-N 3.13Å |
| 295 | T | 95.8 | Very high | 90.3 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.7 | -170.8 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | Q262 L263 K292 F297 | Q262-T295 HydrophobicContact CB-CG2 4.11Å; Q262-T295 HydrophobicContact CG-CG2 4.47Å; L263-T295 CarbonylContact O-C 3.52Å; L263-T295 WeakPolarHBondContact O-CA 3.32Å; L263-T295 WeakPolarHBondContact O-CG2 3.39Å; K292-T295 PolarHBondContact N-O 2.02Å; K292-T295 PolarHBondContact O-N 2.94Å; T295-F297 HydrophobicContact CG2-CD2 3.9Å; T295-F297 HydrophobicContact CG2-CE1 4.13Å; T295-F297 HydrophobicContact CG2-CE2 3.38Å; T295-F297 HydrophobicContact CG2-CG 4.45Å; T295-F297 HydrophobicContact CG2-CZ 3.53Å |
| 296 | L | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 109.5 | 177.9 | -165.4 | 71 | 0 | 0 | 0 | 108.6 | Q262 L263 W278 L285 V289 I291 F298 Y310 | Q262-L296 CarbonylContact C-O 3.53Å; Q262-L296 VanDerWaalsContact CA-O 3.25Å; Q262-L296 WeakPolarHBondContact CA-O 3.18Å; L263-L296 HydrophobicContact CB-CB 4.27Å; L263-L296 HydrophobicContact CD1-CD2 4.4Å; L263-L296 PolarHBondContact N-O 2.83Å; L263-L296 PolarHBondContact O-N 2.89Å; W278-L296 HydrophobicContact CB-CD1 3.93Å; W278-L296 HydrophobicContact CD2-CB 3.94Å; W278-L296 HydrophobicContact CD2-CD1 4.24Å; W278-L296 HydrophobicContact CD2-CD2 4.13Å; W278-L296 HydrophobicContact CD2-CG 4.35Å; W278-L296 HydrophobicContact CE3-CB 4.33Å; W278-L296 HydrophobicContact CE3-CD2 3.89Å; W278-L296 HydrophobicContact CG-CB 4.32Å; W278-L296 HydrophobicContact CG-CD1 3.87Å; W278-L296 HydrophobicContact CG-CG 4.49Å; W278-L296 HydrophobicContact CH2-CB 4.36Å; W278-L296 HydrophobicContact CZ2-CB 3.98Å; W278-L296 HydrophobicContact CZ3-CD2 4.28Å; L285-L296 HydrophobicContact CD1-CD1 4.26Å; L285-L296 HydrophobicContact CD2-CD1 4.37Å; L285-L296 HydrophobicContact CD2-CD2 4.24Å; V289-L296 HydrophobicContact CG1-CD1 3.24Å; V289-L296 HydrophobicContact CG1-CD2 4.09Å; V289-L296 HydrophobicContact CG1-CG 3.4Å; V289-L296 VanDerWaalsContact CG1-CG 3.4Å; I291-L296 HydrophobicContact CG1-CD1 3.57Å; L296-F298 HydrophobicContact CD2-CE2 4.11Å; L296-F298 HydrophobicContact CD2-CZ 3.83Å; L296-F298 HydrophobicContact CG-CE2 4.2Å; L296-F298 HydrophobicContact CG-CZ 4.32Å; L296-Y310 HydrophobicContact CD2-CD1 3.51Å; L296-Y310 HydrophobicContact CD2-CE1 3.84Å; L296-Y310 HydrophobicContact CD2-CG 4.46Å |
| 297 | F | 94.4 | Very high | 90.7 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129.4 | -177.8 | -69.2 | -90.1 | 0 | 0 | 0 | 110.7 | Q262 V289 E290 K292 T295 | Q262-F297 HydrophobicContact CB-CD1 4.14Å; Q262-F297 HydrophobicContact CB-CE1 4.41Å; Q262-F297 VanDerWaalsContact OE1-CE1 3.29Å; V289-F297 CarbonylContact C-O 3.59Å; V289-F297 WeakPolarHBondContact CA-O 3.36Å; E290-F297 PolarHBondContact N-O 3.22Å; E290-F297 PolarHBondContact O-N 2.95Å; K292-F297 HydrophobicContact CB-CD2 4.21Å; K292-F297 HydrophobicContact CB-CE2 3.87Å; K292-F297 HydrophobicContact CD-CD2 4.24Å; K292-F297 HydrophobicContact CD-CE2 4.1Å; K292-F297 HydrophobicContact CG-CD2 4.11Å; K292-F297 HydrophobicContact CG-CE2 4.14Å; T295-F297 HydrophobicContact CG2-CD2 3.9Å; T295-F297 HydrophobicContact CG2-CE1 4.13Å; T295-F297 HydrophobicContact CG2-CE2 3.38Å; T295-F297 HydrophobicContact CG2-CG 4.45Å; T295-F297 HydrophobicContact CG2-CZ 3.53Å |
| 298 | F | 93 | Very high | 91.1 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 6% | 0.057 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.4 | 177 | -63.3 | -99.8 | 0 | 0 | 0 | 109.3 | W254 V261 L263 V289 L296 L306 Y310 | W254-F298 AromaticContact CH2-CD2 3.83Å; W254-F298 HydrophobicContact CH2-CD2 3.83Å; W254-F298 AromaticContact CH2-CE2 3.62Å; W254-F298 HydrophobicContact CH2-CE2 3.62Å; W254-F298 HydrophobicContact CH2-CG 4.49Å; W254-F298 HydrophobicContact CH2-CZ 4.07Å; W254-F298 HydrophobicContact CZ3-CD1 4.46Å; W254-F298 HydrophobicContact CZ3-CD2 4.15Å; W254-F298 HydrophobicContact CZ3-CE1 4.29Å; W254-F298 HydrophobicContact CZ3-CE2 4.01Å; W254-F298 HydrophobicContact CZ3-CG 4.39Å; W254-F298 HydrophobicContact CZ3-CZ 4.06Å; V261-F298 HydrophobicContact CG2-CB 3.72Å; V261-F298 HydrophobicContact CG2-CD2 4.07Å; V261-F298 HydrophobicContact CG2-CG 3.97Å; V261-F298 PolarHBondContact O-N 2.82Å; L263-F298 HydrophobicContact CD1-CE2 4.17Å; L263-F298 HydrophobicContact CD1-CZ 4.13Å; L263-F298 HydrophobicContact CG-CE2 3.94Å; L263-F298 HydrophobicContact CG-CZ 4.4Å; V289-F298 HydrophobicContact CG2-CD1 3.56Å; V289-F298 HydrophobicContact CG2-CE1 3.72Å; V289-F298 HydrophobicContact CG2-CG 4.31Å; L296-F298 HydrophobicContact CD2-CE2 4.11Å; L296-F298 HydrophobicContact CD2-CZ 3.83Å; L296-F298 HydrophobicContact CG-CE2 4.2Å; L296-F298 HydrophobicContact CG-CZ 4.32Å; F298-L306 HydrophobicContact CD1-CD1 3.86Å; F298-L306 HydrophobicContact CD1-CD2 3.78Å; F298-L306 HydrophobicContact CD1-CG 4.29Å; F298-L306 HydrophobicContact CE1-CD2 4.08Å; F298-Y310 AromaticContact CE1-CE1 4Å; F298-Y310 HydrophobicContact CE1-CE1 4Å; F298-Y310 AromaticContact CE1-CZ 3.8Å; F298-Y310 WeakPolarHBondContact CE1-OH 2.95Å; F298-Y310 HydrophobicContact CZ-CD1 4.4Å; F298-Y310 AromaticContact CZ-CE1 3.81Å; F298-Y310 HydrophobicContact CZ-CE1 3.81Å; F298-Y310 HydrophobicContact CZ-CE2 4.43Å; F298-Y310 AromaticContact CZ-CZ 3.84Å |
| 299 | K | 89.4 | Confident | 91.6 | Very high | 110 Ų | 110 | 53.3 Ų | 53.3 | 48% | 0.478 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 124.2 | -177.2 | -67 | 179 | 168.6 | 169.8 | 0 | 110.3 | N288 E290 | N288-K299 VanDerWaalsContact O-CB 3.31Å; N288-K299 WeakPolarHBondContact O-CB 3.37Å; N288-K299 PolarHBondContact O-N 2.82Å; E290-K299 WeakPolarHBondContact OE2-CE 3.06Å; E290-K299 IonicContact OE2-NZ 2.71Å; E290-K299 PolarHBondContact OE2-NZ 2.93Å |
| 300 | G | 87.3 | Confident | 91.8 | Very high | 43 Ų | 43 | 52.1 Ų | 52.1 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 88.3 | -164.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 301 | P | 90.5 | Very high | 92 | Very high | 53 Ų | 53 | 50 Ų | 50 | 34% | 0.344 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -69 | 148.7 | 177.8 | 27.4 | -32.8 | 0 | 0 | 0 | 112.1 | N257 R258 T303 | N257-P301 HydrophobicContact CB-CB 4.47Å; R258-P301 CarbonylContact O-C 3.59Å; R258-P301 WeakPolarHBondContact O-CA 3.45Å; P301-T303 PolarHBondContact O-N 3.25Å |
| 302 | V | 92.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | trans | -66.2 | 129.3 | 169.1 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | W254 Y255 L256 N257 R258 V261 I329 | W254-V302 HydrophobicContact CE3-CG2 4.48Å; Y255-V302 WeakPolarHBondContact O-CB 3.27Å; L256-V302 WeakPolarHBondContact CA-O 3.34Å; N257-V302 PolarHBondContact N-O 3.29Å; R258-V302 HydrophobicContact CB-CB 4.29Å; R258-V302 HydrophobicContact CB-CG2 4.12Å; R258-V302 WeakPolarHBondContact O-CG2 3.29Å; R258-V302 PolarHBondContact O-N 2.89Å; V261-V302 HydrophobicContact CB-CG2 4.46Å; V261-V302 HydrophobicContact CG1-CG2 4Å; V261-V302 HydrophobicContact CG2-CG2 3.58Å; V302-I329 HydrophobicContact CG1-CD1 3.85Å; V302-I329 HydrophobicContact CG1-CG1 4.16Å; V302-I329 HydrophobicContact CG1-CG2 3.79Å | ||
| 303 | T | 91.6 | Very high | 92.4 | Very high | 43 Ų | 43 | 41.8 Ų | 41.8 | 26% | 0.264 | 24% | 0.236 | S | C | . | . | trans | -134.5 | 157.2 | -177.4 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | P301 D305 L306 I329 | P301-T303 PolarHBondContact O-N 3.25Å; T303-D305 VanDerWaalsContact C-N 3.25Å; T303-D305 WeakPolarHBondContact CB-OD1 3.33Å; T303-D305 PolarHBondContact O-N 3.27Å; T303-D305 VanDerWaalsContact O-N 3.16Å; T303-D305 PolarHBondContact OG1-OD1 2.85Å; T303-L306 WeakPolarHBondContact O-CB 3.34Å; T303-L306 PolarHBondContact O-N 2.83Å; T303-I329 WeakPolarHBondContact O-CD1 3.41Å | ||
| 304 | Y | 89.3 | Confident | 92.7 | Very high | 123 Ų | 123 | 34.9 Ų | 34.9 | 48% | 0.482 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -59.4 | -28.5 | -171.3 | -78.1 | -61.1 | 0 | 0 | 0 | 115.4 | L256 L306 A307 I329 E331 | L256-Y304 HydrophobicContact CD1-CE2 3.82Å; L256-Y304 HydrophobicContact CD2-CD1 4.43Å; L256-Y304 HydrophobicContact CD2-CD2 3.99Å; L256-Y304 HydrophobicContact CD2-CE1 4.47Å; L256-Y304 HydrophobicContact CD2-CE2 4.06Å; L256-Y304 HydrophobicContact CD2-CG 4.2Å; L256-Y304 HydrophobicContact CG-CE2 4.43Å; Y304-L306 PolarHBondContact O-N 3.4Å; Y304-A307 WeakPolarHBondContact O-CB 3.13Å; Y304-A307 PolarHBondContact O-N 2.9Å; Y304-A307 VanDerWaalsContact O-N 3.14Å; Y304-I329 HydrophobicContact CD1-CB 4.47Å; Y304-I329 HydrophobicContact CD1-CG2 4.26Å; Y304-E331 WeakPolarHBondContact OH-CG 3.49Å; Y304-E331 PolarHBondContact OH-OE1 2.69Å |
| 305 | D | 87.4 | Confident | 92.8 | Very high | 102 Ų | 102 | 35.2 Ų | 35.2 | 55% | 0.545 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -65.8 | -14.5 | 176.4 | 58 | -64.8 | 0 | 0 | 0 | 114 | T303 A307 | T303-D305 VanDerWaalsContact C-N 3.25Å; T303-D305 WeakPolarHBondContact CB-OD1 3.33Å; T303-D305 PolarHBondContact O-N 3.27Å; T303-D305 VanDerWaalsContact O-N 3.16Å; T303-D305 PolarHBondContact OG1-OD1 2.85Å; D305-A307 VanDerWaalsContact C-N 3.32Å |
| 306 | L | 89.3 | Confident | 92.8 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -81.8 | -8.5 | 173.6 | -61.7 | 178.8 | 0 | 0 | 0 | 113.5 | P286 N288 V289 F298 T303 Y304 Y310 I329 | P286-L306 HydrophobicContact CB-CD2 3.81Å; P286-L306 HydrophobicContact CG-CD2 3.82Å; N288-L306 WeakPolarHBondContact OD1-CD2 3.34Å; V289-L306 HydrophobicContact CG2-CD2 4.31Å; F298-L306 HydrophobicContact CD1-CD1 3.86Å; F298-L306 HydrophobicContact CD1-CD2 3.78Å; F298-L306 HydrophobicContact CD1-CG 4.29Å; F298-L306 HydrophobicContact CE1-CD2 4.08Å; T303-L306 WeakPolarHBondContact O-CB 3.34Å; T303-L306 PolarHBondContact O-N 2.83Å; Y304-L306 PolarHBondContact O-N 3.4Å; L306-Y310 WeakPolarHBondContact O-CE2 3.36Å; L306-Y310 PolarHBondContact O-OH 3.1Å; L306-I329 HydrophobicContact CB-CD1 3.73Å |
| 307 | A | 90.9 | Very high | 92.8 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | trans | -71 | 135.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y304 D305 V327 I329 | Y304-A307 WeakPolarHBondContact O-CB 3.13Å; Y304-A307 PolarHBondContact O-N 2.9Å; Y304-A307 VanDerWaalsContact O-N 3.14Å; D305-A307 VanDerWaalsContact C-N 3.32Å; A307-V327 WeakPolarHBondContact CA-O 3.29Å; A307-I329 HydrophobicContact CB-CD1 3.95Å; A307-I329 HydrophobicContact CB-CG1 4.08Å | ||
| 308 | G | 92.3 | Very high | 92.8 | Very high | 25 Ų | 25 | 37.4 Ų | 37.4 | 26% | 0.258 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.5 | 179.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y310 V327 | G308-Y310 WeakPolarHBondContact O-CD2 3.42Å; G308-V327 PolarHBondContact N-O 3.29Å; G308-V327 PolarHBondContact O-N 2.81Å |
| 309 | T | 95.2 | Very high | 92.7 | Very high | 29 Ų | 29 | 37.7 Ų | 37.7 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 105.8 | -177.3 | -52.2 | 0 | 0 | 0 | 0 | 110.7 | L281 V324 V325 D326 | L281-T309 HydrophobicContact CB-CG2 3.99Å; L281-T309 HydrophobicContact CD2-CG2 3.97Å; L281-T309 PolarHBondContact N-O 3.17Å; T309-V324 HydrophobicContact CG2-CG1 3.27Å; T309-V325 WeakPolarHBondContact CA-O 3.25Å; T309-D326 VanDerWaalsContact CB-OD1 3.24Å; T309-D326 WeakPolarHBondContact CB-OD1 3.36Å; T309-D326 WeakPolarHBondContact CG2-OD1 3.32Å; T309-D326 PolarHBondContact OG1-OD1 2.8Å |
| 310 | Y | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 132.3 | 178 | -68.1 | -94.3 | 0 | 0 | 0 | 110.6 | L263 L280 L285 L296 F298 L306 G308 V324 V325 V327 | L263-Y310 HydrophobicContact CD1-CD1 4.31Å; L263-Y310 HydrophobicContact CD1-CD2 4.05Å; L263-Y310 HydrophobicContact CD1-CG 3.81Å; L280-Y310 HydrophobicContact CD1-CD1 3.94Å; L280-Y310 HydrophobicContact CD1-CD2 4.16Å; L280-Y310 HydrophobicContact CD1-CE1 3.76Å; L280-Y310 HydrophobicContact CD1-CE2 3.98Å; L280-Y310 HydrophobicContact CD1-CG 4.13Å; L285-Y310 HydrophobicContact CD2-CD1 4.18Å; L285-Y310 HydrophobicContact CD2-CE1 4.17Å; L296-Y310 HydrophobicContact CD2-CD1 3.51Å; L296-Y310 HydrophobicContact CD2-CE1 3.84Å; L296-Y310 HydrophobicContact CD2-CG 4.46Å; F298-Y310 AromaticContact CE1-CE1 4Å; F298-Y310 HydrophobicContact CE1-CE1 4Å; F298-Y310 AromaticContact CE1-CZ 3.8Å; F298-Y310 WeakPolarHBondContact CE1-OH 2.95Å; F298-Y310 HydrophobicContact CZ-CD1 4.4Å; F298-Y310 AromaticContact CZ-CE1 3.81Å; F298-Y310 HydrophobicContact CZ-CE1 3.81Å; F298-Y310 HydrophobicContact CZ-CE2 4.43Å; F298-Y310 AromaticContact CZ-CZ 3.84Å; L306-Y310 WeakPolarHBondContact O-CE2 3.36Å; L306-Y310 PolarHBondContact O-OH 3.1Å; G308-Y310 WeakPolarHBondContact O-CD2 3.42Å; Y310-V324 WeakPolarHBondContact O-CA 3.46Å; Y310-V325 PolarHBondContact N-O 3Å; Y310-V325 PolarHBondContact O-N 2.79Å; Y310-V327 HydrophobicContact CD2-CB 4.03Å; Y310-V327 HydrophobicContact CD2-CG2 3.6Å; Y310-V327 HydrophobicContact CE2-CB 3.91Å; Y310-V327 HydrophobicContact CE2-CG2 3.86Å |
| 311 | V | 96 | Very high | 93.4 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 11% | 0.109 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 123.5 | -177.7 | -174.4 | 0 | 0 | 0 | 0 | 109.4 | W278 K279 L281 T322 G323 V324 | W278-V311 WeakPolarHBondContact CA-O 3.27Å; K279-V311 HydrophobicContact CB-CB 4.5Å; K279-V311 PolarHBondContact N-O 3.33Å; K279-V311 PolarHBondContact O-N 3.28Å; L281-V311 HydrophobicContact CB-CG2 4.35Å; L281-V311 HydrophobicContact CD1-CG2 4.15Å; V311-T322 HydrophobicContact CG1-CG2 4.43Å; V311-G323 WeakPolarHBondContact CA-O 3.48Å; V311-V324 HydrophobicContact CG1-CG2 4.44Å; V311-V324 HydrophobicContact CG2-CG2 4.29Å |
| 312 | C | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.1 | 167.2 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | V245 I247 C265 W278 T322 G323 | V245-C312 HydrophobicContact CG1-CB 4.36Å; I247-C312 HydrophobicContact CD1-CB 3.88Å; I247-C312 HydrophobicContact CG1-CB 4.04Å; C265-C312 HydrophobicContact CB-CB 3.73Å; C265-C312 WeakPolarHBondContact CB-SG 3.43Å; C265-C312 WeakPolarHBondContact SG-CB 3.44Å; C265-C312 CovalentContact SG-SG 2.03Å; C265-C312 PolarHBondContact SG-SG 2.83Å; W278-C312 HydrophobicContact CD2-CB 4.29Å; W278-C312 HydrophobicContact CE3-CB 4.06Å; W278-C312 HydrophobicContact CH2-CB 4.12Å; W278-C312 HydrophobicContact CZ2-CB 4.33Å; W278-C312 HydrophobicContact CZ3-CB 3.98Å; C312-T322 CarbonylContact O-C 3.32Å; C312-T322 WeakPolarHBondContact O-CA 3.38Å; C312-G323 PolarHBondContact N-O 2.92Å; C312-G323 PolarHBondContact O-N 3.23Å |
| 313 | V | 96 | Very high | 93.8 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.3 | 170.7 | -168.1 | 0 | 0 | 0 | 0 | 108.4 | Y276 Q277 K279 I315 T320 T322 | Y276-V313 CarbonylContact C-O 3.51Å; Y276-V313 WeakPolarHBondContact CA-O 3.41Å; Q277-V313 HydrophobicContact CB-CB 4.18Å; Q277-V313 HydrophobicContact CB-CG2 4.47Å; Q277-V313 PolarHBondContact N-O 3.28Å; Q277-V313 PolarHBondContact O-N 3.03Å; K279-V313 HydrophobicContact CD-CG2 4.4Å; V313-I315 HydrophobicContact CG1-CG1 4.38Å; V313-T320 HydrophobicContact CG1-CG2 3.44Å; V313-T320 VanDerWaalsContact CG1-CG2 3.44Å; V313-T322 HydrophobicContact CB-CG2 4.32Å; V313-T322 HydrophobicContact CG1-CG2 4.12Å; V313-T322 HydrophobicContact CG2-CG2 4.02Å |
| 314 | A | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 135.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P243 V245 A267 V273 Y276 T320 R321 | P243-A314 HydrophobicContact CB-CB 4.13Å; P243-A314 HydrophobicContact CG-CB 4.42Å; V245-A314 HydrophobicContact CG2-CB 3.64Å; A267-A314 HydrophobicContact CB-CB 3.72Å; V273-A314 HydrophobicContact CG1-CB 4.03Å; V273-A314 HydrophobicContact CG2-CB 4.19Å; Y276-A314 HydrophobicContact CD1-CB 4.26Å; Y276-A314 HydrophobicContact CE1-CB 4.16Å; A314-T320 WeakPolarHBondContact O-CA 3.35Å; A314-R321 PolarHBondContact N-O 3.14Å; A314-R321 PolarHBondContact O-N 3.44Å |
| 315 | I | 95.9 | Very high | 94.3 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.7 | -175.1 | -49.7 | 176.6 | 0 | 0 | 0 | 109.4 | V273 T274 I275 V313 T320 | V273-I315 WeakPolarHBondContact CA-O 3.25Å; V273-I315 WeakPolarHBondContact CG1-O 3.27Å; T274-I315 PolarHBondContact N-O 2.88Å; T274-I315 PolarHBondContact OG1-O 3.23Å; I275-I315 HydrophobicContact CB-CB 4.24Å; I275-I315 HydrophobicContact CB-CD1 4.24Å; I275-I315 HydrophobicContact CB-CG1 4.48Å; I275-I315 HydrophobicContact CG2-CD1 4.26Å; I275-I315 PolarHBondContact N-O 3.43Å; I275-I315 PolarHBondContact O-N 3.46Å; V313-I315 HydrophobicContact CG1-CG1 4.38Å; I315-T320 HydrophobicContact CG1-CG2 3.94Å |
| 316 | N | 95.9 | Very high | 94.7 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | trans | -125.3 | -179.2 | 166.4 | 82.9 | -16.5 | 0 | 0 | 0 | 111.1 | Y241 P243 A269 P271 I318 G319 | Y241-N316 PolarHBondContact O-ND2 3.25Å; P243-N316 HydrophobicContact CG-CB 4.05Å; A269-N316 HydrophobicContact CB-CB 4.44Å; P271-N316 WeakPolarHBondContact O-CB 3.38Å; P271-N316 PolarHBondContact O-ND2 3.14Å; N316-I318 PolarHBondContact O-N 3.19Å; N316-I318 WeakPolarHBondContact OD1-CA 3.44Å; N316-I318 WeakPolarHBondContact OD1-CB 3.34Å; N316-I318 PolarHBondContact OD1-N 2.87Å; N316-G319 PolarHBondContact N-O 2.83Å; N316-G319 PolarHBondContact O-N 3.33Å; N316-G319 PolarHBondContact OD1-N 3.09Å; N316-G319 PolarHBondContact OD1-O 3.38Å | ||
| 317 | G | 94.4 | Very high | 94.9 | Very high | 66 Ų | 66 | 37.9 Ų | 37.9 | 68% | 0.68 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -65.1 | -3.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 318 | I | 93.5 | Very high | 95 | Very high | 51 Ų | 51 | 40 Ų | 40 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -105.7 | -35.5 | 176.7 | -56.1 | -57.5 | 0 | 0 | 0 | 111.5 | V155 Q240 E242 N316 | V155-I318 HydrophobicContact CG1-CD1 4.02Å; V155-I318 HydrophobicContact CG1-CG2 4.25Å; V155-I318 HydrophobicContact CG2-CD1 4.25Å; Q240-I318 HydrophobicContact CB-CD1 3.91Å; Q240-I318 HydrophobicContact CB-CG1 4.02Å; E242-I318 HydrophobicContact CB-CG2 4.42Å; N316-I318 PolarHBondContact O-N 3.19Å; N316-I318 WeakPolarHBondContact OD1-CA 3.44Å; N316-I318 WeakPolarHBondContact OD1-CB 3.34Å; N316-I318 PolarHBondContact OD1-N 2.87Å |
| 319 | G | 92.3 | Very high | 95 | Very high | 19 Ų | 19 | 39.8 Ų | 39.8 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | trans | 175.8 | -171.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P243 N316 | P243-G319 WeakPolarHBondContact CD-O 3.21Å; N316-G319 PolarHBondContact N-O 2.83Å; N316-G319 PolarHBondContact O-N 3.33Å; N316-G319 PolarHBondContact OD1-N 3.09Å; N316-G319 PolarHBondContact OD1-O 3.38Å | ||
| 320 | T | 95.1 | Very high | 94.9 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 41% | 0.405 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.2 | -176.2 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | V313 A314 I315 | V313-T320 HydrophobicContact CG1-CG2 3.44Å; V313-T320 VanDerWaalsContact CG1-CG2 3.44Å; A314-T320 WeakPolarHBondContact O-CA 3.35Å; I315-T320 HydrophobicContact CG1-CG2 3.94Å |
| 321 | R | 95.1 | Very high | 94.5 | Very high | 106 Ų | 106 | 46.3 Ų | 46.3 | 40% | 0.4 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 159.6 | 176.7 | -75.6 | -71.3 | 174.5 | -90.6 | 9 | 110.8 | E242 P243 V245 A314 | E242-R321 HydrophobicContact CB-CG 4.32Å; E242-R321 VanDerWaalsContact CD-NE 3.32Å; E242-R321 HydrophobicContact CG-CG 4.21Å; E242-R321 IonicContact OE1-CZ 2.7Å; E242-R321 IonicContact OE1-NE 3.52Å; E242-R321 PolarHBondContact OE1-NE 3.5Å; E242-R321 IonicContact OE1-NH2 2.76Å; E242-R321 PolarHBondContact OE1-NH2 2.93Å; E242-R321 IonicContact OE2-CZ 3.63Å; E242-R321 IonicContact OE2-NE 2.69Å; E242-R321 IonicContact OE2-NH1 3.35Å; E242-R321 IonicContact OE2-NH2 3.14Å; E242-R321 PolarHBondContact OE2-NH2 3.27Å; P243-R321 WeakPolarHBondContact O-CB 3.5Å; P243-R321 WeakPolarHBondContact O-CG 3.3Å; V245-R321 HydrophobicContact CG2-CB 4Å; A314-R321 PolarHBondContact N-O 3.14Å; A314-R321 PolarHBondContact O-N 3.44Å |
| 322 | T | 95.8 | Very high | 94 | Very high | 85 Ų | 85 | 52.9 Ų | 52.9 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.5 | -172.1 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | V311 C312 V313 | V311-T322 HydrophobicContact CG1-CG2 4.43Å; C312-T322 CarbonylContact O-C 3.32Å; C312-T322 WeakPolarHBondContact O-CA 3.38Å; V313-T322 HydrophobicContact CB-CG2 4.32Å; V313-T322 HydrophobicContact CG1-CG2 4.12Å; V313-T322 HydrophobicContact CG2-CG2 4.02Å |
| 323 | G | 95.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 6% | 0.062 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 151.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | V311 C312 | V311-G323 WeakPolarHBondContact CA-O 3.48Å; C312-G323 PolarHBondContact N-O 2.92Å; C312-G323 PolarHBondContact O-N 3.23Å |
| 324 | V | 96.2 | Very high | 92.5 | Very high | 84 Ų | 84 | 60 Ų | 60 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.1 | -177.9 | -175 | 0 | 0 | 0 | 0 | 109 | T309 Y310 V311 | T309-V324 HydrophobicContact CG2-CG1 3.27Å; Y310-V324 WeakPolarHBondContact O-CA 3.46Å; V311-V324 HydrophobicContact CG1-CG2 4.44Å; V311-V324 HydrophobicContact CG2-CG2 4.29Å |
| 325 | V | 96 | Very high | 91.4 | Very high | 22 Ų | 22 | 66 Ų | 66 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 132.9 | 169.8 | 65.5 | 0 | 0 | 0 | 0 | 110.2 | I247 F250 L263 T309 Y310 V327 | I247-V325 HydrophobicContact CB-CB 4.2Å; I247-V325 HydrophobicContact CB-CG1 4.09Å; I247-V325 HydrophobicContact CD1-CB 4.31Å; I247-V325 HydrophobicContact CD1-CG1 3.93Å; I247-V325 HydrophobicContact CG2-CB 4.18Å; I247-V325 HydrophobicContact CG2-CG1 3.61Å; F250-V325 HydrophobicContact CB-CG2 3.93Å; F250-V325 HydrophobicContact CD1-CG2 4.08Å; F250-V325 HydrophobicContact CG-CG2 4.29Å; L263-V325 HydrophobicContact CD1-CG1 3.85Å; L263-V325 HydrophobicContact CD2-CG1 4.35Å; T309-V325 WeakPolarHBondContact CA-O 3.25Å; Y310-V325 PolarHBondContact N-O 3Å; Y310-V325 PolarHBondContact O-N 2.79Å; V325-V327 HydrophobicContact CG1-CG2 4.42Å |
| 326 | D | 95.2 | Very high | 89.7 | Confident | 104 Ų | 104 | 72.3 Ų | 72.3 | 56% | 0.556 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 110.2 | 174.1 | -65.4 | -49.5 | 0 | 0 | 0 | 109.4 | F250 T309 | F250-D326 VanDerWaalsContact CE1-O 3.29Å; F250-D326 WeakPolarHBondContact CE1-O 3.07Å; T309-D326 VanDerWaalsContact CB-OD1 3.24Å; T309-D326 WeakPolarHBondContact CB-OD1 3.36Å; T309-D326 WeakPolarHBondContact CG2-OD1 3.32Å; T309-D326 PolarHBondContact OG1-OD1 2.8Å |
| 327 | V | 93.9 | Very high | 87.9 | Confident | 6 Ų | 6 | 74.6 Ų | 74.6 | 4% | 0.036 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 112.3 | 176.9 | 175.4 | 0 | 0 | 0 | 0 | 108.6 | F250 W254 L263 A307 G308 Y310 V325 I329 | F250-V327 HydrophobicContact CD2-CB 4.33Å; F250-V327 HydrophobicContact CD2-CG1 4.08Å; F250-V327 HydrophobicContact CD2-CG2 4.01Å; F250-V327 HydrophobicContact CE2-CB 4.3Å; F250-V327 HydrophobicContact CE2-CG1 3.92Å; F250-V327 HydrophobicContact CE2-CG2 4.48Å; F250-V327 HydrophobicContact CG-CG2 4.29Å; W254-V327 HydrophobicContact CD2-CG1 4.15Å; W254-V327 HydrophobicContact CE3-CG1 3.49Å; W254-V327 VanDerWaalsContact CE3-CG1 3.49Å; W254-V327 HydrophobicContact CZ3-CG1 3.82Å; L263-V327 HydrophobicContact CD1-CG2 4.07Å; L263-V327 HydrophobicContact CD2-CG2 4.48Å; A307-V327 WeakPolarHBondContact CA-O 3.29Å; G308-V327 PolarHBondContact N-O 3.29Å; G308-V327 PolarHBondContact O-N 2.81Å; Y310-V327 HydrophobicContact CD2-CB 4.03Å; Y310-V327 HydrophobicContact CD2-CG2 3.6Å; Y310-V327 HydrophobicContact CE2-CB 3.91Å; Y310-V327 HydrophobicContact CE2-CG2 3.86Å; V325-V327 HydrophobicContact CG1-CG2 4.42Å; V327-I329 HydrophobicContact CG1-CG1 4.39Å |
| 328 | N | 92.5 | Very high | 86.1 | Confident | 91 Ų | 91 | 76.6 Ų | 76.6 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | trans | -96.9 | 158.6 | 166.2 | 70.2 | 34.1 | 0 | 0 | 0 | 110.5 | ||||
| 329 | I | 92.7 | Very high | 84.1 | Confident | 22 Ų | 22 | 80.9 Ų | 80.9 | 11% | 0.113 | 46% | 0.459 | C | S | . | . | trans | -133.2 | 134.3 | -177 | -60.2 | 178.1 | 0 | 0 | 0 | 108.8 | W254 L256 V302 T303 Y304 L306 A307 V327 | W254-I329 WeakPolarHBondContact O-CA 3.37Å; L256-I329 HydrophobicContact CD2-CG2 4.21Å; V302-I329 HydrophobicContact CG1-CD1 3.85Å; V302-I329 HydrophobicContact CG1-CG1 4.16Å; V302-I329 HydrophobicContact CG1-CG2 3.79Å; T303-I329 WeakPolarHBondContact O-CD1 3.41Å; Y304-I329 HydrophobicContact CD1-CB 4.47Å; Y304-I329 HydrophobicContact CD1-CG2 4.26Å; L306-I329 HydrophobicContact CB-CD1 3.73Å; A307-I329 HydrophobicContact CB-CD1 3.95Å; A307-I329 HydrophobicContact CB-CG1 4.08Å; V327-I329 HydrophobicContact CG1-CG1 4.39Å | ||
| 330 | T | 91.6 | Very high | 82.2 | Confident | 37 Ų | 37 | 81.8 Ų | 81.8 | 23% | 0.227 | 47% | 0.469 | C | S | . | . | B | Isolated β-bridge | trans | -112.7 | 154.4 | -176.5 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | W254 Y255 L256 K332 | W254-T330 PolarHBondContact O-N 2.89Å; W254-T330 PolarHBondContact O-OG1 3.43Å; Y255-T330 CarbonylContact C-O 3.59Å; Y255-T330 WeakPolarHBondContact CA-O 2.96Å; Y255-T330 WeakPolarHBondContact CB-OG1 3.18Å; L256-T330 PolarHBondContact N-O 2.84Å; T330-K332 VanDerWaalsContact C-N 3.32Å; T330-K332 PolarHBondContact O-N 2.79Å; T330-K332 PolarHBondContact OG1-O 2.96Å |
| 331 | E | 87.9 | Confident | 79.9 | Confident | 129 Ų | 129 | 81.5 Ų | 81.5 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -67.4 | -35.2 | 176.2 | -74.7 | -166.9 | 162.3 | 0 | 0 | 113.1 | L256 Y304 | L256-E331 HydrophobicContact CD1-CG 4.27Å; Y304-E331 WeakPolarHBondContact OH-CG 3.49Å; Y304-E331 PolarHBondContact OH-OE1 2.69Å |
| 332 | K | 85 | Confident | 77.7 | Confident | 155 Ų | 155 | 82.8 Ų | 82.8 | 67% | 0.674 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -137 | 147.9 | -171.7 | -64.2 | 177.6 | -174.3 | 170.8 | 0 | 108.2 | T330 M334 | T330-K332 VanDerWaalsContact C-N 3.32Å; T330-K332 PolarHBondContact O-N 2.79Å; T330-K332 PolarHBondContact OG1-O 2.96Å; K332-M334 PolarHBondContact O-N 2.87Å |
| 333 | P | 84.3 | Confident | 75.5 | Confident | 73 Ų | 73 | 85 Ų | 85 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | trans | -53 | 132.3 | 174.4 | 22.3 | -33.2 | 0 | 0 | 0 | 110 | N253 Y255 | N253-P333 WeakPolarHBondContact OD1-CA 3.49Å; Y255-P333 HydrophobicContact CD1-CB 3.7Å; Y255-P333 HydrophobicContact CE1-CB 3.8Å; Y255-P333 HydrophobicContact CG-CB 4.15Å | ||
| 334 | M | 76.2 | Confident | 73.2 | Confident | 92 Ų | 92 | 87.3 Ų | 87.3 | 45% | 0.453 | 53% | 0.53 | S | S | . | . | trans | -58.2 | 140.4 | 172.8 | -74.5 | -169.2 | -67.1 | 0 | 0 | 109.5 | G252 N253 K332 Q336 | G252-M334 WeakPolarHBondContact O-CE 3.28Å; N253-M334 HydrophobicContact CB-CE 4.09Å; N253-M334 PolarHBondContact OD1-N 2.8Å; K332-M334 PolarHBondContact O-N 2.87Å; M334-Q336 PolarHBondContact O-N 3.2Å | ||
| 335 | P | 73.8 | Confident | 71.3 | Confident | 125 Ų | 125 | 89.6 Ų | 89.6 | 81% | 0.812 | 54% | 0.538 | S | S | * | . | trans | -62.6 | 108 | 175.4 | 26 | -32.8 | 0 | 0 | 0 | 108.6 | G337 | P335-G337 PolarHBondContact O-N 2.97Š| ||
| 336 | Q | 60.1 | Low | 69.2 | Low | 172 Ų | 172 | 94.8 Ų | 94.8 | 80% | 0.804 | 56% | 0.564 | S | S | * | * | trans | -66.8 | 91.6 | 165.9 | -66.3 | -173.6 | 11.5 | 0 | 0 | 107 | M334 | M334-Q336 PolarHBondContact O-N 3.2Š| ||
| 337 | G | 58.3 | Low | 67.2 | Low | 55 Ų | 55 | 91.9 Ų | 91.9 | 57% | 0.567 | 56% | 0.558 | S | S | * | * | trans | -55.2 | 142.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P335 | P335-G337 PolarHBondContact O-N 2.97Š| ||
| 338 | P | 55.9 | Low | 65.5 | Low | 108 Ų | 108 | 93.1 Ų | 93.1 | 70% | 0.701 | 57% | 0.572 | S | S | * | * | trans | -56 | 139.1 | 179.5 | 23.1 | -33.1 | 0 | 0 | 0 | 110 | G340 G341 | P338-G340 VanDerWaalsContact C-N 3.33Å; P338-G340 PolarHBondContact O-N 2.8Å; P338-G341 PolarHBondContact O-N 2.84Å | ||
| 339 | P | 52 | Low | 64.2 | Low | 141 Ų | 141 | 93.4 Ų | 93.4 | 92% | 0.916 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 91.9 | -178.9 | 26.8 | -34.2 | 0 | 0 | 0 | 109.9 | ||
| 340 | G | 53.1 | Low | 63.1 | Low | 39 Ų | 39 | 96.5 Ų | 96.5 | 40% | 0.402 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 159.1 | -14.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | P338 V342 I343 | P338-G340 VanDerWaalsContact C-N 3.33Å; P338-G340 PolarHBondContact O-N 2.8Å; G340-V342 PolarHBondContact O-N 2.65Å; G340-I343 PolarHBondContact O-N 3.13Å |
| 341 | G | 47 | Very low | 62.2 | Low | 60 Ų | 60 | 97 Ų | 97 | 62% | 0.619 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -21.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | P338 | P338-G341 PolarHBondContact O-N 2.84Š|
| 342 | V | 47.6 | Very low | 61.8 | Low | 133 Ų | 133 | 95.8 Ų | 95.8 | 81% | 0.806 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -13.6 | 179.7 | -147.2 | 0 | 0 | 0 | 0 | 113.2 | G340 | G340-V342 PolarHBondContact O-N 2.65Š|
| 343 | I | 50.1 | Low | 61.5 | Low | 131 Ų | 131 | 90.4 Ų | 90.4 | 67% | 0.672 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -82.8 | -30 | -177.1 | -58.6 | 178.1 | 0 | 0 | 0 | 111.5 | G340 I345 L346 G347 | G340-I343 PolarHBondContact O-N 3.13Å; I343-I345 PolarHBondContact O-N 2.83Å; I343-L346 PolarHBondContact O-N 2.81Å; I343-G347 PolarHBondContact O-N 3.18Å; I343-G347 VanDerWaalsContact O-N 3.07Å |
| 344 | G | 48.7 | Very low | 61.4 | Low | 55 Ų | 55 | 92.5 Ų | 92.5 | 57% | 0.567 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.8 | -35.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G348 | G344-G348 PolarHBondContact O-N 3.16Å |
| 345 | I | 54.7 | Low | 61.9 | Low | 132 Ų | 132 | 93.9 Ų | 93.9 | 68% | 0.677 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.8 | -39.1 | -178.6 | -57.4 | 178.3 | 0 | 0 | 0 | 110.7 | I343 V349 | I343-I345 PolarHBondContact O-N 2.83Å; I345-V349 WeakPolarHBondContact O-CG2 3.49Å; I345-V349 PolarHBondContact O-N 3.08Å |
| 346 | L | 51.9 | Low | 62.5 | Low | 131 Ų | 131 | 92.6 Ų | 92.6 | 69% | 0.686 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74 | -38.6 | 178.5 | -155.9 | 69.8 | 0 | 0 | 0 | 111.8 | I343 V349 V350 | I343-L346 PolarHBondContact O-N 2.81Å; L346-V349 PolarHBondContact O-N 2.81Å; L346-V350 WeakPolarHBondContact O-CG2 3.47Å; L346-V350 PolarHBondContact O-N 2.93Å |
| 347 | G | 54.4 | Low | 63.7 | Low | 42 Ų | 42 | 86.1 Ų | 86.1 | 43% | 0.433 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.6 | -41.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I343 V350 A351 | I343-G347 PolarHBondContact O-N 3.18Å; I343-G347 VanDerWaalsContact O-N 3.07Å; G347-V350 PolarHBondContact O-N 2.8Å; G347-A351 WeakPolarHBondContact O-CB 3.28Å; G347-A351 PolarHBondContact O-N 3.05Å |
| 348 | G | 57.3 | Low | 65.1 | Low | 32 Ų | 32 | 87.8 Ų | 87.8 | 33% | 0.33 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.7 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G344 A351 I352 | G344-G348 PolarHBondContact O-N 3.16Å; G348-A351 PolarHBondContact O-N 3.37Å; G348-I352 WeakPolarHBondContact O-CB 3.42Å; G348-I352 VanDerWaalsContact O-CG1 3.3Å; G348-I352 WeakPolarHBondContact O-CG1 3.36Å; G348-I352 PolarHBondContact O-N 3.1Å |
| 349 | V | 65.6 | Low | 66.5 | Low | 98 Ų | 98 | 85.5 Ų | 85.5 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.4 | -38.9 | 177.8 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | I345 L346 G353 | I345-V349 WeakPolarHBondContact O-CG2 3.49Å; I345-V349 PolarHBondContact O-N 3.08Å; L346-V349 PolarHBondContact O-N 2.81Å; V349-G353 PolarHBondContact O-N 3.34Å |
| 350 | V | 70.1 | Confident | 68.2 | Low | 86 Ų | 86 | 82.2 Ų | 82.2 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 175 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | L346 G347 G353 L354 | L346-V350 WeakPolarHBondContact O-CG2 3.47Å; L346-V350 PolarHBondContact O-N 2.93Å; G347-V350 PolarHBondContact O-N 2.8Å; V350-G353 PolarHBondContact O-N 3.31Å; V350-L354 HydrophobicContact CG1-CD1 4.12Å; V350-L354 WeakPolarHBondContact O-CG 3.35Å; V350-L354 PolarHBondContact O-N 3.2Å |
| 351 | A | 72.1 | Confident | 69.6 | Low | 48 Ų | 48 | 84.2 Ų | 84.2 | 40% | 0.397 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | G347 G348 L354 I355 | G347-A351 WeakPolarHBondContact O-CB 3.28Å; G347-A351 PolarHBondContact O-N 3.05Å; G348-A351 PolarHBondContact O-N 3.37Å; A351-L354 PolarHBondContact O-N 3.45Å; A351-I355 VanDerWaalsContact O-CG1 3.3Å; A351-I355 WeakPolarHBondContact O-CG1 3.45Å; A351-I355 PolarHBondContact O-N 2.91Å |
| 352 | I | 79.3 | Confident | 71.5 | Confident | 104 Ų | 104 | 85.6 Ų | 85.6 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 176.1 | -67.7 | 166.3 | 0 | 0 | 0 | 110.7 | G348 L354 I355 I356 | G348-I352 WeakPolarHBondContact O-CB 3.42Å; G348-I352 VanDerWaalsContact O-CG1 3.3Å; G348-I352 WeakPolarHBondContact O-CG1 3.36Å; G348-I352 PolarHBondContact O-N 3.1Å; I352-L354 PolarHBondContact O-N 2.91Å; I352-I355 PolarHBondContact O-N 3.44Å; I352-I356 HydrophobicContact CG2-CD1 3.74Å; I352-I356 HydrophobicContact CG2-CG1 4.41Å; I352-I356 WeakPolarHBondContact O-CG1 3.36Å; I352-I356 PolarHBondContact O-N 2.86Å |
| 353 | G | 79.6 | Confident | 73.3 | Confident | 42 Ų | 42 | 85.1 Ų | 85.1 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V349 V350 G357 | V349-G353 PolarHBondContact O-N 3.34Å; V350-G353 PolarHBondContact O-N 3.31Å; G353-G357 PolarHBondContact O-N 2.88Å |
| 354 | L | 82.5 | Confident | 74.7 | Confident | 117 Ų | 117 | 84.6 Ų | 84.6 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | 174.8 | -74 | 170.2 | 0 | 0 | 0 | 112.1 | V350 A351 I352 I356 G357 V358 | V350-L354 HydrophobicContact CG1-CD1 4.12Å; V350-L354 WeakPolarHBondContact O-CG 3.35Å; V350-L354 PolarHBondContact O-N 3.2Å; A351-L354 PolarHBondContact O-N 3.45Å; I352-L354 PolarHBondContact O-N 2.91Å; L354-I356 PolarHBondContact O-N 2.9Å; L354-G357 PolarHBondContact O-N 2.99Å; L354-V358 WeakPolarHBondContact O-CG2 3.32Å; L354-V358 PolarHBondContact O-N 3.3Å |
| 355 | I | 85.3 | Confident | 76.3 | Confident | 120 Ų | 120 | 85.8 Ų | 85.8 | 62% | 0.615 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -43.4 | 177.3 | -68.5 | 164.2 | 0 | 0 | 0 | 110.9 | A351 I352 V358 A359 | A351-I355 VanDerWaalsContact O-CG1 3.3Å; A351-I355 WeakPolarHBondContact O-CG1 3.45Å; A351-I355 PolarHBondContact O-N 2.91Å; I352-I355 PolarHBondContact O-N 3.44Å; I355-V358 PolarHBondContact O-N 3.04Å; I355-A359 WeakPolarHBondContact O-CB 3.32Å; I355-A359 PolarHBondContact O-N 2.81Å |
| 356 | I | 86.8 | Confident | 77.5 | Confident | 98 Ų | 98 | 84.6 Ų | 84.6 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 175.7 | -66.6 | 169.6 | 0 | 0 | 0 | 110.8 | I352 L354 V358 A359 V360 | I352-I356 HydrophobicContact CG2-CD1 3.74Å; I352-I356 HydrophobicContact CG2-CG1 4.41Å; I352-I356 WeakPolarHBondContact O-CG1 3.36Å; I352-I356 PolarHBondContact O-N 2.86Å; L354-I356 PolarHBondContact O-N 2.9Å; I356-V358 PolarHBondContact O-N 2.84Å; I356-A359 PolarHBondContact O-N 2.87Å; I356-V360 HydrophobicContact CG2-CG2 4.29Å; I356-V360 WeakPolarHBondContact O-CB 3.47Å; I356-V360 WeakPolarHBondContact O-CG2 3.35Å; I356-V360 PolarHBondContact O-N 3.42Å |
| 357 | G | 85.7 | Confident | 78.7 | Confident | 36 Ų | 36 | 86 Ų | 86 | 37% | 0.371 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G353 L354 T361 | G353-G357 PolarHBondContact O-N 2.88Å; L354-G357 PolarHBondContact O-N 2.99Å; G357-T361 WeakPolarHBondContact O-CB 3.33Å; G357-T361 WeakPolarHBondContact O-CG2 3.32Å; G357-T361 PolarHBondContact O-N 2.92Å; G357-T361 PolarHBondContact O-OG1 2.71Å |
| 358 | V | 87.1 | Confident | 79.3 | Confident | 90 Ų | 90 | 93.3 Ų | 93.3 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -43.9 | 173.6 | 173.2 | 0 | 0 | 0 | 0 | 111 | L354 I355 I356 V360 T361 V362 | L354-V358 WeakPolarHBondContact O-CG2 3.32Å; L354-V358 PolarHBondContact O-N 3.3Å; I355-V358 PolarHBondContact O-N 3.04Å; I356-V358 PolarHBondContact O-N 2.84Å; V358-V360 PolarHBondContact O-N 2.87Å; V358-T361 WeakPolarHBondContact CA-OG1 3.36Å; V358-T361 PolarHBondContact O-N 2.84Å; V358-T361 PolarHBondContact O-OG1 2.97Å; V358-V362 HydrophobicContact CG1-CG2 4.36Å; V358-V362 WeakPolarHBondContact O-CB 3.41Å; V358-V362 VanDerWaalsContact O-CG2 3.3Å; V358-V362 WeakPolarHBondContact O-CG2 3.37Å; V358-V362 PolarHBondContact O-N 3.02Å |
| 359 | A | 86.3 | Confident | 79.6 | Confident | 60 Ų | 60 | 98 Ų | 98 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | I355 I356 F363 | I355-A359 WeakPolarHBondContact O-CB 3.32Å; I355-A359 PolarHBondContact O-N 2.81Å; I356-A359 PolarHBondContact O-N 2.87Å; A359-F363 VanDerWaalsContact O-CB 3.3Å; A359-F363 WeakPolarHBondContact O-CB 3.42Å; A359-F363 PolarHBondContact O-N 2.8Å |
| 360 | V | 87.4 | Confident | 79.4 | Confident | 72 Ų | 72 | 99 Ų | 99 | 44% | 0.436 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 177.7 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | I356 V358 F363 M364 | I356-V360 HydrophobicContact CG2-CG2 4.29Å; I356-V360 WeakPolarHBondContact O-CB 3.47Å; I356-V360 WeakPolarHBondContact O-CG2 3.35Å; I356-V360 PolarHBondContact O-N 3.42Å; V358-V360 PolarHBondContact O-N 2.87Å; V360-F363 PolarHBondContact O-N 3.06Å; V360-M364 WeakPolarHBondContact O-CB 3.29Å; V360-M364 WeakPolarHBondContact O-CG 3.49Å; V360-M364 PolarHBondContact O-N 2.77Å |
| 361 | T | 83.1 | Confident | 78.7 | Confident | 81 Ų | 81 | 102.6 Ų | 102.6 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.8 | -42 | 177.1 | 46.6 | 0 | 0 | 0 | 0 | 112 | G357 V358 F363 M364 V365 | G357-T361 WeakPolarHBondContact O-CB 3.33Å; G357-T361 WeakPolarHBondContact O-CG2 3.32Å; G357-T361 PolarHBondContact O-N 2.92Å; G357-T361 PolarHBondContact O-OG1 2.71Å; V358-T361 WeakPolarHBondContact CA-OG1 3.36Å; V358-T361 PolarHBondContact O-N 2.84Å; V358-T361 PolarHBondContact O-OG1 2.97Å; T361-F363 PolarHBondContact O-N 3.49Å; T361-M364 PolarHBondContact O-N 3.22Å; T361-V365 WeakPolarHBondContact O-CG2 3.35Å; T361-V365 PolarHBondContact O-N 2.85Å |
| 362 | V | 85.6 | Confident | 77.7 | Confident | 89 Ų | 89 | 105.7 Ų | 105.7 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.7 | -45.4 | 171.6 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | V358 M364 V365 H366 | V358-V362 HydrophobicContact CG1-CG2 4.36Å; V358-V362 WeakPolarHBondContact O-CB 3.41Å; V358-V362 VanDerWaalsContact O-CG2 3.3Å; V358-V362 WeakPolarHBondContact O-CG2 3.37Å; V358-V362 PolarHBondContact O-N 3.02Å; V362-M364 PolarHBondContact O-N 2.87Å; V362-V365 PolarHBondContact O-N 2.83Å; V362-H366 WeakPolarHBondContact O-CB 3.48Å; V362-H366 PolarHBondContact O-N 3.33Å |
| 363 | F | 85.3 | Confident | 76.2 | Confident | 124 Ų | 124 | 111.6 Ų | 111.6 | 54% | 0.544 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.3 | -40.9 | 176.8 | -177.4 | -107.9 | 0 | 0 | 0 | 112.6 | A359 V360 T361 H366 R367 | A359-F363 VanDerWaalsContact O-CB 3.3Å; A359-F363 WeakPolarHBondContact O-CB 3.42Å; A359-F363 PolarHBondContact O-N 2.8Å; V360-F363 PolarHBondContact O-N 3.06Å; T361-F363 PolarHBondContact O-N 3.49Å; F363-H366 PolarHBondContact O-N 2.92Å; F363-R367 HydrophobicContact CE1-CG 4.35Å; F363-R367 HydrophobicContact CE2-CG 4.49Å; F363-R367 HydrophobicContact CZ-CG 4.27Å; F363-R367 WeakPolarHBondContact O-CG 3.28Å; F363-R367 PolarHBondContact O-N 2.81Å |
| 364 | M | 80.4 | Confident | 74.7 | Confident | 119 Ų | 119 | 115.3 Ų | 115.3 | 59% | 0.586 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.5 | -39.1 | 174.7 | -78.1 | -163.9 | 169.2 | 0 | 0 | 112.8 | V360 T361 V362 R368 | V360-M364 WeakPolarHBondContact O-CB 3.29Å; V360-M364 WeakPolarHBondContact O-CG 3.49Å; V360-M364 PolarHBondContact O-N 2.77Å; T361-M364 PolarHBondContact O-N 3.22Å; V362-M364 PolarHBondContact O-N 2.87Å; M364-R368 WeakPolarHBondContact O-CB 3.46Å; M364-R368 WeakPolarHBondContact O-CG 3.08Å; M364-R368 PolarHBondContact O-N 2.74Å |
| 365 | V | 81.4 | Confident | 72.9 | Confident | 81 Ų | 81 | 117.5 Ų | 117.5 | 49% | 0.491 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.3 | -42.5 | 174.1 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | T361 V362 R368 Q369 | T361-V365 WeakPolarHBondContact O-CG2 3.35Å; T361-V365 PolarHBondContact O-N 2.85Å; V362-V365 PolarHBondContact O-N 2.83Å; V365-R368 PolarHBondContact O-N 2.76Å; V365-Q369 PolarHBondContact O-N 2.95Å |
| 366 | H | 79.4 | Confident | 70.8 | Confident | 106 Ų | 106 | 118.1 Ų | 118.1 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.6 | -39.8 | 178.1 | -156.1 | -68.6 | 0 | 0 | 0 | 112.2 | V362 F363 Q370 | V362-H366 WeakPolarHBondContact O-CB 3.48Å; V362-H366 PolarHBondContact O-N 3.33Å; F363-H366 PolarHBondContact O-N 2.92Å; H366-Q370 WeakPolarHBondContact O-CG 3.29Å; H366-Q370 PolarHBondContact O-N 3.03Å |
| 367 | R | 76.9 | Confident | 68.5 | Low | 162 Ų | 162 | 120 Ų | 120 | 61% | 0.611 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68.1 | -33.8 | 171.3 | -71.3 | -169 | 84.3 | 171.1 | 8.2 | 112.7 | F363 K371 | F363-R367 HydrophobicContact CE1-CG 4.35Å; F363-R367 HydrophobicContact CE2-CG 4.49Å; F363-R367 HydrophobicContact CZ-CG 4.27Å; F363-R367 WeakPolarHBondContact O-CG 3.28Å; F363-R367 PolarHBondContact O-N 2.81Å; R367-K371 PolarHBondContact O-N 3.08Å |
| 368 | R | 68.5 | Low | 66.1 | Low | 194 Ų | 194 | 125.3 Ų | 125.3 | 73% | 0.732 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65 | -48.4 | 173.2 | -81.8 | -179.5 | 169.6 | -165.2 | -3.6 | 111.2 | M364 V365 Q370 K371 T372 | M364-R368 WeakPolarHBondContact O-CB 3.46Å; M364-R368 WeakPolarHBondContact O-CG 3.08Å; M364-R368 PolarHBondContact O-N 2.74Å; V365-R368 PolarHBondContact O-N 2.76Å; R368-Q370 VanDerWaalsContact C-N 3.32Å; R368-Q370 PolarHBondContact O-N 2.92Å; R368-K371 CarbonylContact O-C 3.55Å; R368-K371 WeakPolarHBondContact O-CA 3.4Å; R368-K371 WeakPolarHBondContact O-CB 3.5Å; R368-K371 PolarHBondContact O-N 2.85Å; R368-T372 PolarHBondContact O-N 2.87Å; R368-T372 PolarHBondContact O-OG1 2.79Å |
| 369 | Q | 63.7 | Low | 63.8 | Low | 132 Ų | 132 | 128.4 Ų | 128.4 | 62% | 0.617 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -60.9 | -37.6 | 175.6 | -73.6 | -172.9 | -8.6 | 0 | 0 | 112.8 | V365 K371 T372 | V365-Q369 PolarHBondContact O-N 2.95Å; Q369-K371 VanDerWaalsContact C-N 3.3Å; Q369-K371 PolarHBondContact O-N 3.22Å; Q369-T372 PolarHBondContact O-N 2.84Å |
| 370 | Q | 59.9 | Low | 61.3 | Low | 119 Ų | 119 | 132.7 Ų | 132.7 | 56% | 0.556 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -63.8 | -34.1 | 171 | -78.9 | -179.7 | -24 | 0 | 0 | 112.7 | H366 R368 T374 | H366-Q370 WeakPolarHBondContact O-CG 3.29Å; H366-Q370 PolarHBondContact O-N 3.03Å; R368-Q370 VanDerWaalsContact C-N 3.32Å; R368-Q370 PolarHBondContact O-N 2.92Å; Q370-T374 PolarHBondContact O-OG1 3Å |
| 371 | K | 55.6 | Low | 58.8 | Low | 161 Ų | 161 | 134.5 Ų | 134.5 | 70% | 0.7 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -76.1 | -28.8 | 177.1 | -159.1 | 177.7 | -178.1 | -171.2 | 0 | 113.1 | R367 R368 Q369 R373 | R367-K371 PolarHBondContact O-N 3.08Å; R368-K371 CarbonylContact O-C 3.55Å; R368-K371 WeakPolarHBondContact O-CA 3.4Å; R368-K371 WeakPolarHBondContact O-CB 3.5Å; R368-K371 PolarHBondContact O-N 2.85Å; Q369-K371 VanDerWaalsContact C-N 3.3Å; Q369-K371 PolarHBondContact O-N 3.22Å; K371-R373 PolarHBondContact O-N 3.06Å |
| 372 | T | 51.7 | Low | 56.4 | Low | 112 Ų | 112 | 137 Ų | 137 | 69% | 0.687 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -1.2 | 176.5 | -25.6 | 0 | 0 | 0 | 0 | 113.9 | R368 Q369 | R368-T372 PolarHBondContact O-N 2.87Å; R368-T372 PolarHBondContact O-OG1 2.79Å; Q369-T372 PolarHBondContact O-N 2.84Å |
| 373 | R | 47.2 | Very low | 53.9 | Low | 228 Ų | 228 | 140.3 Ų | 140.3 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 1.5 | -179.5 | -156.1 | 174.5 | -179.4 | 172.6 | 1 | 113.9 | K371 | K371-R373 PolarHBondContact O-N 3.06Š|
| 374 | T | 48.8 | Very low | 52.5 | Low | 120 Ų | 120 | 139.4 Ų | 139.4 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -121.4 | 12.1 | -170.3 | -20.2 | 0 | 0 | 0 | 0 | 113.8 | Q370 | Q370-T374 PolarHBondContact O-OG1 3Š|
| 375 | E | 44 | Very low | 50.9 | Low | 163 Ų | 163 | 139.6 Ų | 139.6 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | trans | -140 | 65.4 | -173.9 | -158.1 | 171.1 | 164.1 | 0 | 0 | 109.5 | ||||
| 376 | T | 42 | Very low | 48.5 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 82% | 0.816 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -151.2 | 31.5 | 172.5 | -32.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 377 | D | 39.1 | Very low | 46.5 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -146.3 | 143.2 | 173 | -169.8 | 24.9 | 0 | 0 | 0 | 109.1 | ||
| 378 | N | 34.5 | Very low | 44.4 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | 75.9 | 75 | -173.9 | -48.4 | -75 | 0 | 0 | 0 | 117.2 | ||||
| 379 | D | 38.5 | Very low | 43 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | -107.6 | 112.5 | 144.8 | 174.1 | 29.2 | 0 | 0 | 0 | 108.7 | ||||
| 380 | L | 34.7 | Very low | 41.8 | Very low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -166.4 | 142.1 | 152.2 | -149.7 | 60.8 | 0 | 0 | 0 | 114.7 | ||||
| 381 | T | 34.5 | Very low | 41.2 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | 86.7 | 100 | 152.5 | 16.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 382 | D | 32 | Very low | 41.1 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | 72.6 | 103.8 | 124.6 | -70.7 | -10.6 | 0 | 0 | 0 | 126.5 | |||||
| 383 | L | 34.2 | Very low | 40.9 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | 72 | 151.5 | 117.9 | -69.1 | 166.9 | 0 | 0 | 0 | 123.7 | |||||
| 384 | P | 55.1 | Low | 41.1 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -122.4 | -172.4 | -156.6 | 45 | -30.5 | 0 | 0 | 0 | 115.4 | ||||
| 385 | P | 47.7 | Very low | 40.7 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | -153.4 | 141.9 | 103.5 | 38.1 | -19.6 | 0 | 0 | 0 | 119.8 | |||||
| 386 | A | 31.6 | Very low | 40.1 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 29.9 | 135.1 | 140.1 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 387 | H | 35.9 | Very low | 39.6 | Very low | 199 Ų | 199 | 142.2 Ų | 142.2 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | -156.4 | 161.3 | 113.6 | -111.2 | 64.9 | 0 | 0 | 0 | 114.6 | |||||
| 388 | K | 33 | Very low | 39.2 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | trans | -107 | 168.4 | -170 | -125 | 177.2 | -173.8 | 174.8 | 0 | 110.9 | ||||
| 389 | P | 40.4 | Very low | 39 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | -147.4 | -170.6 | 65.1 | 35.2 | -11.5 | 0 | 0 | 0 | 116.7 | |||||
| 390 | A | 36.8 | Very low | 38.8 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | trans | -127 | -160.8 | -173 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 391 | P | 47.2 | Very low | 38.5 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | cis | -133.4 | -179 | -22.5 | 33.2 | -12.3 | 0 | 0 | 0 | 114.6 | ||||
| 392 | P | 53.6 | Low | 38.3 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -114.8 | 172.9 | 176.2 | 41.7 | -33.2 | 0 | 0 | 0 | 115.2 | ||||
| 393 | P | 48.2 | Very low | 38.2 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -142.9 | 177.1 | 149.2 | 42.1 | -27.6 | 0 | 0 | 0 | 114.1 | ||||
| 394 | P | 50.5 | Low | 37.8 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | -134 | 179.3 | -54.8 | 40.3 | -24.6 | 0 | 0 | 0 | 114 | |||||
| 395 | K | 41 | Very low | 36.6 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -78.7 | 165.9 | -178.7 | -58.6 | 169.5 | 177.8 | 175.2 | 0 | 114.2 | ||||
| 396 | K | 31.4 | Very low | 35.8 | Very low | 215 Ų | 215 | 144.2 Ų | 144.2 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | trans | -133.5 | 134.3 | 141.5 | -100.7 | -174.8 | 178.7 | 179.2 | 0 | 113.4 | ||||
| 397 | K | 32.1 | Very low | 35.7 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | -84.5 | 175.2 | 166.5 | -84.9 | -174 | 162.4 | -171.8 | 0 | 109.4 | ||||
| 398 | N | 30.4 | Very low | 35.5 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 63% | 0.631 | 79% | 0.788 | S | S | * | * | cis | -163.7 | 161.8 | 1.8 | -126.4 | 30.5 | 0 | 0 | 0 | 107.7 | ||||
| 399 | S | 30.6 | Very low | 35.3 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | 162.4 | 143.3 | 117.8 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 400 | D | 33.3 | Very low | 35.1 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -96.7 | 150.4 | -174.4 | -50.6 | -100.6 | 0 | 0 | 0 | 113.2 | ||||
| 401 | M | 29.2 | Very low | 34.8 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -159.6 | 161 | 134.8 | -158.4 | 52.6 | 76.9 | 0 | 0 | 111.9 | ||||
| 402 | K | 30.9 | Very low | 34.1 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -110.2 | 149.4 | -155.1 | -178.3 | 175.2 | -177.5 | 173.4 | 0 | 114.2 | ||||
| 403 | G | 28.3 | Very low | 32.9 | Very low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 151.2 | 90.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 404 | H | 27.5 | Very low | 32.1 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | 72.9 | 126.4 | 82.7 | -125.1 | -80.5 | 0 | 0 | 0 | 116.8 | |||||
| 405 | L | 29.2 | Very low | 31.2 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | trans | 85.3 | 101.7 | 162.8 | -71.5 | 139.6 | 0 | 0 | 0 | 121.9 | ||||
| 406 | T | 29.7 | Very low | 30.6 | Very low | 120 Ų | 120 | 146.4 Ų | 146.4 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | 55.8 | 127.6 | 127.8 | 55 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 407 | S | 30 | Very low | 30.7 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 44.8 | 125.3 | 136.5 | -107.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 408 | D | 33.2 | Very low | 30.6 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | cis | -161.7 | 144.9 | 49.3 | -85.2 | -36.1 | 0 | 0 | 0 | 114 | ||||
| 409 | D | 28.5 | Very low | 30.7 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 45.4 | 144 | 139.3 | -95.2 | -22.2 | 0 | 0 | 0 | 127.7 | ||||
| 410 | I | 34.9 | Very low | 30.8 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | 73.2 | 91.2 | 159.4 | -57.5 | 156.4 | 0 | 0 | 0 | 117.7 | ||||
| 411 | Q | 30.6 | Very low | 30.7 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 140.7 | 149.7 | -76 | -174.9 | -16.7 | 0 | 0 | 110.8 | ||
| 412 | V | 32.7 | Very low | 30.8 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 125.7 | 173.5 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | H414 | V412-H414 PolarHBondContact O-N 3.46Š|
| 413 | V | 28.3 | Very low | 30.8 | Very low | 110 Ų | 110 | 152.7 Ų | 152.7 | 67% | 0.667 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 117.3 | 177.2 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | L415 | V413-L415 HydrophobicContact CG1-CD1 4.06Å; V413-L415 HydrophobicContact CG1-CG 4.16Å |
| 414 | H | 31.1 | Very low | 31 | Very low | 167 Ų | 167 | 157 Ų | 157 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 134.1 | 153.4 | -100.4 | 55.4 | 0 | 0 | 0 | 108.6 | V412 | V412-H414 PolarHBondContact O-N 3.46Š|
| 415 | L | 31.3 | Very low | 31.6 | Very low | 144 Ų | 144 | 154.4 Ų | 154.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -123.3 | 85.3 | 178.3 | -121.6 | 153.1 | 0 | 0 | 0 | 107.5 | V413 | V413-L415 HydrophobicContact CG1-CD1 4.06Å; V413-L415 HydrophobicContact CG1-CG 4.16Å | ||
| 416 | D | 30.4 | Very low | 32 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -69.2 | 138.6 | 167 | -70 | -51.7 | 0 | 0 | 0 | 109.5 | ||||
| 417 | K | 31.8 | Very low | 32.4 | Very low | 195 Ų | 195 | 159.3 Ų | 159.3 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | trans | -141.7 | 104.8 | 166.4 | -105.4 | -169.6 | 172.5 | -170.4 | 0 | 108.8 | ||||
| 418 | D | 30.2 | Very low | 33.1 | Very low | 157 Ų | 157 | 159.8 Ų | 159.8 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -70.6 | 133.7 | 163.5 | -61.5 | -62.4 | 0 | 0 | 0 | 110.1 | ||||
| 419 | E | 33.6 | Very low | 33.4 | Very low | 198 Ų | 198 | 159.2 Ų | 159.2 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | -140 | 128.8 | 142.6 | -77.5 | -163 | 123.3 | 0 | 0 | 108.5 | ||||
| 420 | E | 31.5 | Very low | 33.8 | Very low | 195 Ų | 195 | 161.6 Ų | 161.6 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -72.2 | 145.5 | 176.3 | -68.8 | -178.7 | 92.1 | 0 | 0 | 111.7 | ||||
| 421 | M | 31.6 | Very low | 33.6 | Very low | 170 Ų | 170 | 164.7 Ų | 164.7 | 84% | 0.837 | 82% | 0.82 | S | S | * | * | trans | -148.6 | 111.6 | 148 | -119.3 | -175 | 75.2 | 0 | 0 | 113.9 | ||||
| 422 | Q | 32 | Very low | 33.9 | Very low | 169 Ų | 169 | 161.8 Ų | 161.8 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | 44.2 | 113.3 | 152 | -84.4 | 168.6 | -37.9 | 0 | 0 | 121.4 | ||||
| 423 | K | 30.4 | Very low | 33.9 | Very low | 207 Ų | 207 | 163.4 Ų | 163.4 | 90% | 0.9 | 81% | 0.811 | S | S | * | * | trans | -79 | 132.6 | 168.2 | -171.4 | -175.8 | -170.6 | -178.2 | 0 | 111.6 | ||||
| 424 | L | 32.6 | Very low | 34.2 | Very low | 160 Ų | 160 | 162.6 Ų | 162.6 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -131.6 | 151.1 | 157.4 | -96.9 | 121.2 | 0 | 0 | 0 | 109.8 | ||||
| 425 | P | 39.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 161 Ų | 161 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | trans | -91.7 | 152.5 | -156.2 | 35 | -34.8 | 0 | 0 | 0 | 114.9 | ||||
| 426 | L | 37.2 | Very low | 35.1 | Very low | 175 Ų | 175 | 159.3 Ų | 159.3 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -76.1 | 142.4 | 170.8 | -70 | 148.7 | 0 | 0 | 0 | 111.1 | ||||
| 427 | Q | 38.5 | Very low | 35.1 | Very low | 186 Ų | 186 | 161.8 Ų | 161.8 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | trans | -118.6 | 140.1 | 162.2 | -96.1 | 177.2 | -27.3 | 0 | 0 | 109.9 | ||||
| 428 | P | 44 | Very low | 35.1 | Very low | 115 Ų | 115 | 157.1 Ų | 157.1 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 155.3 | -176.3 | 34.3 | -35.4 | 0 | 0 | 0 | 112.7 | ||
| 429 | P | 40.5 | Very low | 35.2 | Very low | 127 Ų | 127 | 155.5 Ų | 155.5 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 135.3 | 171.8 | 31 | -33.2 | 0 | 0 | 0 | 111.7 | ||
| 430 | Y | 37.5 | Very low | 35.8 | Very low | 196 Ų | 196 | 151.3 Ų | 151.3 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 136.3 | 176.2 | -177.7 | -101.1 | 0 | 0 | 0 | 110.3 | D432 | Y430-D432 HydrophobicContact CE1-CB 3.87Å; Y430-D432 PolarHBondContact OH-OD2 2.89Å |
| 431 | Y | 31.1 | Very low | 35.7 | Very low | 212 Ų | 212 | 150.6 Ų | 150.6 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 143.3 | 170.4 | -105.5 | -88.5 | 0 | 0 | 0 | 108.7 | ||
| 432 | D | 35 | Very low | 35.7 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 67% | 0.674 | 80% | 0.803 | S | S | * | * | trans | -143 | 153.3 | 160.6 | -139.4 | -23.3 | 0 | 0 | 0 | 111.8 | Y430 | Y430-D432 HydrophobicContact CE1-CB 3.87Å; Y430-D432 PolarHBondContact OH-OD2 2.89Å | ||
| 433 | M | 33.3 | Very low | 35.6 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -120.2 | 140.6 | -176.4 | -68.9 | -175.7 | -75.6 | 0 | 0 | 110.7 | ||||
| 434 | A | 34.6 | Very low | 35.6 | Very low | 93 Ų | 93 | 146.1 Ų | 146.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 21 | 140.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 435 | P | 46.2 | Very low | 36.2 | Very low | 134 Ų | 134 | 144 Ų | 144 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | -152.6 | -172.5 | 63.8 | 40.6 | -19.2 | 0 | 0 | 0 | 117.3 | |||||
| 436 | S | 34.5 | Very low | 35.7 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -105.6 | 141.9 | -173.9 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 437 | E | 32.1 | Very low | 35.5 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | 176.8 | 161.5 | 144.6 | -109.2 | -172 | -134.3 | 0 | 0 | 110.7 | ||||
| 438 | S | 30.1 | Very low | 35.1 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | cis | -150.7 | -146.6 | -6.4 | 66.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 439 | T | 33.5 | Very low | 34.6 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -99 | -173.6 | -171.8 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 440 | P | 45.8 | Very low | 34.3 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | cis | -145 | 173.5 | 8.6 | 44.1 | -24.1 | 0 | 0 | 0 | 119.9 | ||||
| 441 | F | 29.1 | Very low | 34 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 79% | 0.789 | 78% | 0.782 | S | S | * | * | trans | 37.8 | 126.4 | 147 | -96.5 | -97.4 | 0 | 0 | 0 | 124.3 | ||||
| 442 | T | 31.3 | Very low | 34.1 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | -170.5 | 165 | 109.1 | 10.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 443 | D | 30.4 | Very low | 34 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | trans | -90 | 149.2 | -167.3 | -91.9 | -74.4 | 0 | 0 | 0 | 117.3 | ||||
| 444 | K | 31.1 | Very low | 34 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | trans | 42 | 163.5 | 139.2 | -69.8 | -178.4 | -177.7 | 172.9 | 0 | 122.7 | ||||
| 445 | P | 45.1 | Very low | 33.9 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | cis | -135.5 | -173.8 | -40.5 | 39.2 | -22.4 | 0 | 0 | 0 | 113.2 | ||||
| 446 | N | 29.4 | Very low | 33.2 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | 112.6 | 147.7 | 144.6 | -154.8 | 21.1 | 0 | 0 | 0 | 119.3 | ||||
| 447 | S | 31.4 | Very low | 33.1 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 71.9 | 137.8 | 172.3 | -158.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 448 | G | 30.3 | Very low | 33.3 | Very low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 160.8 | -9.4 | 164 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 449 | H | 34.2 | Very low | 33.4 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | 35.4 | 98 | 153.3 | -156.6 | 48.3 | 0 | 0 | 0 | 119.7 | ||||
| 450 | K | 34.2 | Very low | 33.4 | Very low | 181 Ų | 181 | 147.7 Ų | 147.7 | 79% | 0.787 | 80% | 0.803 | S | S | * | * | 159.3 | 111.2 | 117.5 | -89.1 | 177.6 | 177.6 | 180 | 0 | 112.2 | |||||
| 451 | D | 32.1 | Very low | 32.9 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -142.9 | 145.7 | 155.9 | -149.9 | -9 | 0 | 0 | 0 | 107.2 | ||||
| 452 | C | 32.5 | Very low | 33.2 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -160 | 111.9 | 171.6 | -99.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 453 | D | 33.3 | Very low | 33.3 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -57.7 | 162 | 170.8 | -61.5 | -80.4 | 0 | 0 | 0 | 113.9 | ||||
| 454 | V | 33.1 | Very low | 33.4 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -130.9 | 116.1 | 151.5 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 455 | Q | 33 | Very low | 33.4 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -124.9 | 140.3 | 167.6 | -103.8 | -172.6 | -14.5 | 0 | 0 | 110.1 | ||||
| 456 | Y | 31.8 | Very low | 32.7 | Very low | 216 Ų | 216 | 139.7 Ų | 139.7 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | 38.5 | 126.6 | 161.1 | -64.9 | -78.2 | 0 | 0 | 0 | 121 | ||||
| 457 | A | 32 | Very low | 32.8 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -131.2 | 123.4 | 149.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 458 | E | 36.5 | Very low | 33.6 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -89.8 | 147.1 | 167.3 | 177.5 | -179.7 | -178.3 | 0 | 0 | 108.4 | ||||
| 459 | L | 32.4 | Very low | 33.7 | Very low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -155.5 | 132.1 | 163.7 | -143.8 | 78.9 | 0 | 0 | 0 | 111.6 | ||||
| 460 | D | 33.6 | Very low | 34.3 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | -133.4 | 134.8 | 175.7 | -172.5 | 15.2 | 0 | 0 | 0 | 109.1 | ||||
| 461 | T | 34.3 | Very low | 34.2 | Very low | 128 Ų | 128 | 140 Ų | 140 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -167.9 | 138.8 | 165.4 | -8.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 462 | A | 34.4 | Very low | 34.2 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | -82.5 | -178.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 463 | A | 34.6 | Very low | 34.1 | Very low | 86 Ų | 86 | 137 Ų | 137 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | cis | -163.9 | -173.9 | 17 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 464 | L | 32 | Very low | 34.1 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | 82.3 | 134.4 | 167.9 | -57.3 | 165.8 | 0 | 0 | 0 | 116.7 | ||||
| 465 | A | 31.8 | Very low | 34 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | cis | -162.8 | 170 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 466 | S | 29.3 | Very low | 34 | Very low | 124 Ų | 124 | 135 Ų | 135 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | 85.5 | 121.1 | 160.1 | 70.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 467 | S | 32.5 | Very low | 34.1 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -99 | 173.8 | 167.3 | -89.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 468 | P | 47 | Very low | 34.7 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | cis | -148.1 | 163.7 | 32.8 | 41.3 | -19.7 | 0 | 0 | 0 | 121.5 | ||||
| 469 | S | 34.3 | Very low | 34.7 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -19.8 | 169.2 | 143.2 | -52.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 470 | P | 46.3 | Very low | 34.8 | Very low | 133 Ų | 133 | 123.7 Ų | 123.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | cis | -148.2 | -162.4 | 32 | 43.7 | -20.5 | 0 | 0 | 0 | 119.3 | ||||
| 471 | R | 31.4 | Very low | 35 | Very low | 241 Ų | 241 | 123.9 Ų | 123.9 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -139.5 | 141.9 | -153.8 | 170.3 | -154.3 | -154.1 | -174.4 | 10 | 110.4 | ||||
| 472 | S | 31.9 | Very low | 35 | Very low | 102 Ų | 102 | 123.8 Ų | 123.8 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -171.6 | 127.5 | 149 | 78 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 473 | S | 31.1 | Very low | 35.1 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | 61.9 | 142.1 | 91.4 | 83.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 474 | A | 32 | Very low | 35.1 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | cis | -159 | -170.7 | 19.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 475 | H | 31.7 | Very low | 35.2 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -42.8 | 152.2 | 177.5 | -61.1 | -75.2 | 0 | 0 | 0 | 118.6 | ||||
| 476 | T | 33.8 | Very low | 35.5 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | -178.8 | 146.7 | 97.4 | 32.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 477 | G | 32.6 | Very low | 35.8 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 30.9 | 133.9 | 154 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 478 | P | 46 | Very low | 36.3 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -90.9 | 129.5 | 159.5 | 34.2 | -27.4 | 0 | 0 | 0 | 111.9 | ||||
| 479 | G | 36.1 | Very low | 36.2 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -108.9 | 152.8 | 166 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 480 | D | 33.8 | Very low | 36.5 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -30.5 | 147.5 | -172.9 | -68.8 | -47.3 | 0 | 0 | 0 | 122.4 | ||||
| 481 | L | 38.1 | Very low | 36.4 | Very low | 149 Ų | 149 | 135 Ų | 135 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | 33.4 | 115 | 141.6 | -74.8 | 121.4 | 0 | 0 | 0 | 120 | ||||
| 482 | V | 34.8 | Very low | 36.9 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -137.4 | 124.7 | 131.8 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | Y484 | V482-Y484 HydrophobicContact CG1-CD2 3.67Å; V482-Y484 HydrophobicContact CG1-CE2 3.45Å; V482-Y484 VanDerWaalsContact CG1-CE2 3.45Å | ||
| 483 | E | 36.4 | Very low | 37.1 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -83.8 | 133.8 | 170.7 | 169.8 | -176.5 | -164.1 | 0 | 0 | 110 | ||||
| 484 | Y | 33.7 | Very low | 37.4 | Very low | 225 Ų | 225 | 139.4 Ų | 139.4 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -144.2 | 140.2 | 158.6 | -87.5 | -64.5 | 0 | 0 | 0 | 113.2 | V482 | V482-Y484 HydrophobicContact CG1-CD2 3.67Å; V482-Y484 HydrophobicContact CG1-CE2 3.45Å; V482-Y484 VanDerWaalsContact CG1-CE2 3.45Å | ||
| 485 | A | 34.3 | Very low | 37.7 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -95.9 | 166.1 | -163.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 486 | T | 37.9 | Very low | 38.1 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -57 | 131.1 | 174 | -45.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 487 | I | 35.6 | Very low | 38.3 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -141 | 122.3 | 143.9 | -59.6 | -174.7 | 0 | 0 | 0 | 109.7 | ||||
| 488 | Q | 42.5 | Very low | 38.7 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -106.2 | 147.1 | 149.5 | -122.3 | -172.9 | -3.6 | 0 | 0 | 106.5 | ||||
| 489 | P | 46.1 | Very low | 38.2 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | -142.9 | -169.1 | 105.6 | 37.1 | -21.1 | 0 | 0 | 0 | 114.1 | |||||
| 490 | S | 40.1 | Very low | 38.4 | Very low | 103 Ų | 103 | 150.1 Ų | 150.1 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -93.1 | 178.1 | -152.6 | 56.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 491 | S | 44.2 | Very low | 38.7 | Very low | 96 Ų | 96 | 150.3 Ų | 150.3 | 67% | 0.671 | 81% | 0.814 | S | S | * | * | trans | 70.1 | 107 | 148 | 56.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 492 | H | 41.2 | Very low | 38.8 | Very low | 265 Ų | 265 | 150.5 Ų | 150.5 | 100% | 1.227 | 82% | 0.817 | S | S | * | * | -146 | 0 | 98.5 | -112 | -68.7 | 0 | 0 | 0 | 111.9 |
Retrieved 492 of 492 residues in 460.7 ms
(Link to these results)