| 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 | 34.9 | Very low | 53.7 | Low | 237 Ų | 237 | 132.7 Ų | 132.7 | 100% | 1.167 | 70% | 0.702 | S | S | * | * | 0 | 115.6 | 0 | -72.7 | 174.6 | -172.1 | 0 | 0 | 107.3 | V3 | M1-V3 PolarHBondContact O-N 3.08Š| |||
| 2 | L | 43.5 | Very low | 54 | Low | 177 Ų | 177 | 131.8 Ų | 131.8 | 93% | 0.927 | 70% | 0.696 | S | S | * | * | trans | -75.3 | 106.9 | 170.8 | -87.3 | 153.4 | 0 | 0 | 0 | 107.1 | M4 | L2-M4 PolarHBondContact O-N 3.29Å; L2-M4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | V | 48.2 | Very low | 54 | Low | 137 Ų | 137 | 129.3 Ų | 129.3 | 83% | 0.83 | 68% | 0.683 | S | S | * | * | trans | -69.7 | 103.8 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 106.8 | M1 A5 | M1-V3 PolarHBondContact O-N 3.08Å; V3-A5 PolarHBondContact O-N 3.22Å | ||
| 4 | M | 51.6 | Low | 54 | Low | 175 Ų | 175 | 124.6 Ų | 124.6 | 86% | 0.862 | 67% | 0.666 | S | S | * | * | trans | -69.8 | 110.4 | 171 | -81.2 | 179.6 | 64.6 | 0 | 0 | 108.5 | L2 | L2-M4 PolarHBondContact O-N 3.29Å; L2-M4 VanDerWaalsContact O-N 3.08Å | ||
| 5 | A | 54.3 | Low | 54 | Low | 55 Ų | 55 | 119.6 Ų | 119.6 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | trans | -58.4 | 135.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V3 R7 L10 | V3-A5 PolarHBondContact O-N 3.22Å; A5-R7 PolarHBondContact O-N 2.96Å; A5-L10 HydrophobicContact CB-CD1 4.42Å | ||
| 6 | P | 62.3 | Low | 53.9 | Low | 76 Ų | 76 | 115.1 Ų | 115.1 | 49% | 0.494 | 63% | 0.633 | S | S | . | * | trans | -58 | 134.4 | 178.9 | -18.3 | 27.9 | 0 | 0 | 0 | 110.4 | T8 V9 L10 | P6-T8 PolarHBondContact O-N 2.93Å; P6-V9 HydrophobicContact CB-CB 4.4Å; P6-V9 HydrophobicContact CB-CG2 4Å; P6-V9 HydrophobicContact CG-CB 4.48Å; P6-V9 HydrophobicContact CG-CG2 3.88Å; P6-V9 WeakPolarHBondContact O-CA 3.47Å; P6-V9 WeakPolarHBondContact O-CB 3.22Å; P6-V9 PolarHBondContact O-N 3.07Å; P6-L10 PolarHBondContact O-N 2.83Å | ||
| 7 | R | 58.3 | Low | 53.6 | Low | 217 Ų | 217 | 114.9 Ų | 114.9 | 82% | 0.819 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -50.5 | -33.5 | 178.8 | -97.9 | 179.2 | 166.7 | 143.8 | -3.9 | 113.3 | A5 L10 L11 | A5-R7 PolarHBondContact O-N 2.96Å; R7-L10 PolarHBondContact O-N 3.49Å; R7-L11 WeakPolarHBondContact O-CB 3.4Å; R7-L11 WeakPolarHBondContact O-CD1 3.26Å; R7-L11 VanDerWaalsContact O-CG 3.26Å; R7-L11 WeakPolarHBondContact O-CG 3.5Å; R7-L11 PolarHBondContact O-N 3.05Å |
| 8 | T | 59 | Low | 53.2 | Low | 97 Ų | 97 | 111.5 Ų | 111.5 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.7 | -38.1 | 174.5 | 22.4 | 0 | 0 | 0 | 0 | 113.2 | P6 L11 L12 | P6-T8 PolarHBondContact O-N 2.93Å; T8-L11 PolarHBondContact O-N 3.44Å; T8-L12 WeakPolarHBondContact O-CB 3.43Å; T8-L12 WeakPolarHBondContact O-CD1 3.29Å; T8-L12 VanDerWaalsContact O-CG 3.22Å; T8-L12 WeakPolarHBondContact O-CG 3.39Å; T8-L12 PolarHBondContact O-N 3.38Å |
| 9 | V | 58 | Low | 52.7 | Low | 67 Ų | 67 | 112.3 Ų | 112.3 | 41% | 0.406 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.5 | -39.4 | 174.8 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | P6 L12 L13 | P6-V9 HydrophobicContact CB-CB 4.4Å; P6-V9 HydrophobicContact CB-CG2 4Å; P6-V9 HydrophobicContact CG-CB 4.48Å; P6-V9 HydrophobicContact CG-CG2 3.88Å; P6-V9 WeakPolarHBondContact O-CA 3.47Å; P6-V9 WeakPolarHBondContact O-CB 3.22Å; P6-V9 PolarHBondContact O-N 3.07Å; V9-L12 PolarHBondContact O-N 2.97Å; V9-L13 HydrophobicContact CG1-CD1 3.89Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 WeakPolarHBondContact O-CD1 3.45Å; V9-L13 WeakPolarHBondContact O-CG 3.41Å; V9-L13 PolarHBondContact O-N 3.36Å |
| 10 | L | 57.9 | Low | 52 | Low | 105 Ų | 105 | 110.5 Ų | 110.5 | 55% | 0.55 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.9 | -44.6 | 174.8 | -144.4 | 85.9 | 0 | 0 | 0 | 111.4 | A5 P6 R7 L13 S14 | A5-L10 HydrophobicContact CB-CD1 4.42Å; P6-L10 PolarHBondContact O-N 2.83Å; R7-L10 PolarHBondContact O-N 3.49Å; L10-L13 PolarHBondContact O-N 3.46Å; L10-S14 PolarHBondContact O-N 3.45Å; L10-S14 PolarHBondContact O-OG 3.39Å |
| 11 | L | 63 | Low | 51.5 | Low | 117 Ų | 117 | 113.2 Ų | 113.2 | 61% | 0.613 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.9 | -39.4 | 177.4 | -75.7 | 165.2 | 0 | 0 | 0 | 113.1 | R7 T8 S14 A15 | R7-L11 WeakPolarHBondContact O-CB 3.4Å; R7-L11 WeakPolarHBondContact O-CD1 3.26Å; R7-L11 VanDerWaalsContact O-CG 3.26Å; R7-L11 WeakPolarHBondContact O-CG 3.5Å; R7-L11 PolarHBondContact O-N 3.05Å; T8-L11 PolarHBondContact O-N 3.44Å; L11-S14 PolarHBondContact O-N 2.86Å; L11-A15 WeakPolarHBondContact O-CB 3.34Å; L11-A15 PolarHBondContact O-N 2.86Å |
| 12 | L | 56.7 | Low | 51.7 | Low | 122 Ų | 122 | 106.3 Ų | 106.3 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.1 | -37.5 | 175.3 | -74 | 167 | 0 | 0 | 0 | 111.7 | T8 V9 A16 | T8-L12 WeakPolarHBondContact O-CB 3.43Å; T8-L12 WeakPolarHBondContact O-CD1 3.29Å; T8-L12 VanDerWaalsContact O-CG 3.22Å; T8-L12 WeakPolarHBondContact O-CG 3.39Å; T8-L12 PolarHBondContact O-N 3.38Å; V9-L12 PolarHBondContact O-N 2.97Å; L12-A16 VanDerWaalsContact O-CB 3.27Å; L12-A16 WeakPolarHBondContact O-CB 3.35Å; L12-A16 PolarHBondContact O-N 2.87Å |
| 13 | L | 54 | Low | 52 | Low | 99 Ų | 99 | 105.7 Ų | 105.7 | 52% | 0.518 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.1 | -37.6 | 173.2 | -77 | 162 | 0 | 0 | 0 | 111.9 | V9 L10 A16 L17 | V9-L13 HydrophobicContact CG1-CD1 3.89Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 WeakPolarHBondContact O-CD1 3.45Å; V9-L13 WeakPolarHBondContact O-CG 3.41Å; V9-L13 PolarHBondContact O-N 3.36Å; L10-L13 PolarHBondContact O-N 3.46Å; L13-A16 PolarHBondContact O-N 3.43Å; L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CD1 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 3.15Å |
| 14 | S | 54.5 | Low | 52.2 | Low | 64 Ų | 64 | 101.6 Ų | 101.6 | 45% | 0.448 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.9 | -39.3 | 173.5 | -54.6 | 0 | 0 | 0 | 0 | 112.4 | L10 L11 L17 A18 | L10-S14 PolarHBondContact O-N 3.45Å; L10-S14 PolarHBondContact O-OG 3.39Å; L11-S14 PolarHBondContact O-N 2.86Å; S14-L17 PolarHBondContact O-N 2.91Å; S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 2.88Å |
| 15 | A | 54.5 | Low | 53.4 | Low | 49 Ų | 49 | 95 Ų | 95 | 41% | 0.405 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L11 A18 L19 | L11-A15 WeakPolarHBondContact O-CB 3.34Å; L11-A15 PolarHBondContact O-N 2.86Å; A15-A18 PolarHBondContact O-N 3.37Å; A15-L19 WeakPolarHBondContact O-CB 3.27Å; A15-L19 VanDerWaalsContact O-CD1 3.29Å; A15-L19 WeakPolarHBondContact O-CD1 3.49Å; A15-L19 PolarHBondContact O-N 2.87Å |
| 16 | A | 51.6 | Low | 55.1 | Low | 48 Ų | 48 | 96 Ų | 96 | 40% | 0.397 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L12 L13 L19 T20 | L12-A16 VanDerWaalsContact O-CB 3.27Å; L12-A16 WeakPolarHBondContact O-CB 3.35Å; L12-A16 PolarHBondContact O-N 2.87Å; L13-A16 PolarHBondContact O-N 3.43Å; A16-L19 CarbonylContact O-C 3.34Å; A16-L19 WeakPolarHBondContact O-CA 3.35Å; A16-L19 PolarHBondContact O-N 2.81Å; A16-T20 WeakPolarHBondContact O-CG2 3.42Å; A16-T20 PolarHBondContact O-N 2.84Å; A16-T20 PolarHBondContact O-OG1 3.21Å |
| 17 | L | 48.1 | Very low | 56.7 | Low | 111 Ų | 111 | 94.8 Ų | 94.8 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.7 | -39.5 | 175.1 | -83.3 | 158.2 | 0 | 0 | 0 | 112.3 | L13 S14 L19 T20 E21 | L13-L17 VanDerWaalsContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CB 3.27Å; L13-L17 WeakPolarHBondContact O-CD1 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.31Å; L13-L17 PolarHBondContact O-N 3.15Å; S14-L17 PolarHBondContact O-N 2.91Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-T20 VanDerWaalsContact CA-OG1 3.31Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 CarbonylContact O-C 3.58Å; L17-T20 PolarHBondContact O-N 3.35Å; L17-T20 PolarHBondContact O-OG1 3.47Å; L17-E21 PolarHBondContact O-N 2.66Å |
| 18 | A | 48 | Very low | 58.6 | Low | 54 Ų | 54 | 85.7 Ų | 85.7 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -34.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S14 A15 T20 T22 | S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 2.88Å; A15-A18 PolarHBondContact O-N 3.37Å; A18-T20 VanDerWaalsContact C-N 3.31Å; A18-T22 PolarHBondContact O-N 3.2Å |
| 19 | L | 42.7 | Very low | 60.5 | Low | 127 Ų | 127 | 81.1 Ų | 81.1 | 67% | 0.665 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -8.3 | 172.6 | -93.8 | 132.2 | 0 | 0 | 0 | 114.1 | A15 A16 L17 T22 | A15-L19 WeakPolarHBondContact O-CB 3.27Å; A15-L19 VanDerWaalsContact O-CD1 3.29Å; A15-L19 WeakPolarHBondContact O-CD1 3.49Å; A15-L19 PolarHBondContact O-N 2.87Å; A16-L19 CarbonylContact O-C 3.34Å; A16-L19 WeakPolarHBondContact O-CA 3.35Å; A16-L19 PolarHBondContact O-N 2.81Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L19-T22 WeakPolarHBondContact CA-OG1 3.12Å; L19-T22 PolarHBondContact O-OG1 3.27Å |
| 20 | T | 39.6 | Very low | 62.5 | Low | 75 Ų | 75 | 80.5 Ų | 80.5 | 46% | 0.46 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -22 | 170.2 | 55.4 | 0 | 0 | 0 | 0 | 112 | A16 L17 A18 T22 W23 | A16-T20 WeakPolarHBondContact O-CG2 3.42Å; A16-T20 PolarHBondContact O-N 2.84Å; A16-T20 PolarHBondContact O-OG1 3.21Å; L17-T20 VanDerWaalsContact CA-OG1 3.31Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 CarbonylContact O-C 3.58Å; L17-T20 PolarHBondContact O-N 3.35Å; L17-T20 PolarHBondContact O-OG1 3.47Å; A18-T20 VanDerWaalsContact C-N 3.31Å; T20-T22 PolarHBondContact O-N 2.79Å; T20-W23 PolarHBondContact O-N 3.2Å |
| 21 | E | 40 | Very low | 64.4 | Low | 168 Ų | 168 | 76 Ų | 76 | 79% | 0.785 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -64.6 | -16.7 | 159.6 | -85.9 | -174.5 | 154.6 | 0 | 0 | 111.4 | L17 W23 | L17-E21 PolarHBondContact O-N 2.66Å; E21-W23 PolarHBondContact O-N 3.19Å |
| 22 | T | 40.4 | Very low | 66.1 | Low | 92 Ų | 92 | 74.3 Ų | 74.3 | 56% | 0.564 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -78.7 | 29.3 | 165.4 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | A18 L19 T20 A24 | A18-T22 PolarHBondContact O-N 3.2Å; L19-T22 WeakPolarHBondContact CA-OG1 3.12Å; L19-T22 PolarHBondContact O-OG1 3.27Å; T20-T22 PolarHBondContact O-N 2.79Å; T22-A24 PolarHBondContact O-N 3.03Å |
| 23 | W | 48.3 | Very low | 68.1 | Low | 164 Ų | 164 | 69.1 Ų | 69.1 | 62% | 0.621 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -53.9 | -14.2 | 158.6 | -91.8 | 44.1 | 0 | 0 | 0 | 112.9 | T20 E21 G25 E204 | T20-W23 PolarHBondContact O-N 3.2Å; E21-W23 PolarHBondContact O-N 3.19Å; W23-G25 PolarHBondContact O-N 3.03Å; W23-E204 HydrophobicContact CE3-CB 3.67Å; W23-E204 HydrophobicContact CE3-CG 4.26Å; W23-E204 WeakPolarHBondContact CH2-O 3.47Å; W23-E204 HydrophobicContact CZ3-CB 3.46Å; W23-E204 VanDerWaalsContact CZ3-CB 3.46Å; W23-E204 HydrophobicContact CZ3-CG 4.46Å; W23-E204 WeakPolarHBondContact CZ3-O 3.43Å |
| 24 | A | 54.3 | Low | 70.3 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | trans | -90.8 | 78.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T22 P129 | T22-A24 PolarHBondContact O-N 3.03Å; A24-P129 WeakPolarHBondContact O-CB 3.47Å; A24-P129 WeakPolarHBondContact O-CG 3.32Å | ||
| 25 | G | 75.8 | Confident | 72.4 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 36% | 0.361 | 36% | 0.361 | S | S | . | . | trans | -71.2 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | W23 H27 | W23-G25 PolarHBondContact O-N 3.03Å; G25-H27 PolarHBondContact O-CD2 3.32Å; G25-H27 PolarHBondContact O-NE2 3.33Å | ||
| 26 | S | 90.8 | Very high | 74.5 | Confident | 76 Ų | 76 | 62.9 Ų | 62.9 | 53% | 0.531 | 35% | 0.353 | S | S | . | . | trans | -67.7 | 138 | 162.6 | -53.5 | 0 | 0 | 0 | 0 | 109 | V127 | S26-V127 CarbonylContact C-O 3.57Å; S26-V127 WeakPolarHBondContact CA-O 3.34Å; S26-V127 WeakPolarHBondContact CB-O 3.11Å | ||
| 27 | H | 95.9 | Very high | 76.7 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 159.7 | 179.1 | -67.5 | -80.4 | 0 | 0 | 0 | 110.5 | G25 D53 D126 V127 L192 L196 | G25-H27 PolarHBondContact O-CD2 3.32Å; G25-H27 PolarHBondContact O-NE2 3.33Å; H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.46Å; H27-D53 IonicContact CE1-OD2 2.83Å; H27-D53 IonicContact CG-OD1 3.78Å; H27-D53 IonicContact CG-OD2 3.54Å; H27-D53 IonicContact ND1-OD1 3.68Å; H27-D53 IonicContact ND1-OD2 2.74Å; H27-D53 PolarHBondContact ND1-OD2 2.83Å; H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.43Å; H27-V127 HydrophobicContact CB-CG2 3.92Å; H27-V127 PolarHBondContact N-O 2.84Å; H27-V127 PolarHBondContact O-N 3.35Å; H27-L192 HydrophobicContact CB-CD1 4.36Å; H27-L192 HydrophobicContact CB-CD2 4.33Å; H27-L196 HydrophobicContact CB-CD1 3.72Å; H27-L196 HydrophobicContact CB-CD2 4.23Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.38Å |
| 28 | S | 98.1 | Very high | 78.9 | Confident | 27 Ų | 27 | 59 Ų | 59 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 149 | 176.7 | 65.6 | 0 | 0 | 0 | 0 | 112 | V52 D53 C125 D126 | S28-V52 CarbonylContact O-C 3.5Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; S28-D53 PolarHBondContact N-OD1 2.8Å; S28-D53 PolarHBondContact O-N 2.79Å; S28-C125 WeakPolarHBondContact CA-O 3.37Å; S28-D126 VanDerWaalsContact CB-OD1 3.31Å; S28-D126 WeakPolarHBondContact CB-OD1 3.27Å |
| 29 | M | 98.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.8 | 163.9 | -173.8 | 169.7 | 59.2 | 0 | 0 | 108 | Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195 | M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 3.97Å; M29-Y31 HydrophobicContact SD-CE2 3.92Å; M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 VanDerWaalsContact CA-O 3.3Å; M29-Y51 WeakPolarHBondContact CA-O 3.2Å; M29-V52 HydrophobicContact CG-CG2 4.46Å; M29-F57 HydrophobicContact SD-CZ 4.39Å; M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.47Å; M29-C125 PolarHBondContact N-O 2.91Å; M29-C125 PolarHBondContact O-N 3.1Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.44Å; M29-W191 HydrophobicContact CE-CB 4.14Å; M29-W191 HydrophobicContact SD-CB 4.48Å; M29-L192 HydrophobicContact CB-CB 4.11Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 4.13Å; M29-L192 HydrophobicContact CB-CG 4.31Å; M29-L192 HydrophobicContact CE-CB 4.39Å; M29-Y195 HydrophobicContact SD-CD2 3.77Å; M29-Y195 HydrophobicContact SD-CE2 3.54Å; M29-Y195 VanDerWaalsContact SD-CE2 3.54Å |
| 30 | R | 98.7 | Very high | 83.4 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.2 | -179.8 | -61.3 | -64.3 | -179.5 | 86.6 | 11.6 | 110.9 | F32 G50 Y51 M122 Y123 D126 H137 | R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.63Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.21Å; R30-Y51 PolarHBondContact N-O 3.49Å; R30-Y51 PolarHBondContact O-N 3.12Å; R30-M122 PolarHBondContact NH1-SD 3.25Å; R30-M122 VanDerWaalsContact NH1-SD 3.41Å; R30-Y123 WeakPolarHBondContact CA-O 3.48Å; R30-D126 IonicContact CZ-OD1 3.65Å; R30-D126 IonicContact NE-OD1 3.3Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 IonicContact NH2-OD1 2.84Å; R30-D126 PolarHBondContact NH2-OD1 3.09Å; R30-D126 IonicContact NH2-OD2 3.87Å; R30-D126 PolarHBondContact NH2-OD2 2.83Å; R30-H137 PolarHBondContact NH2-CE1 2.87Å; R30-H137 PolarHBondContact NH2-NE2 3.16Å |
| 31 | Y | 98.9 | Very high | 85.9 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 140.5 | 167.6 | -66.8 | -91.7 | 0 | 0 | 0 | 109.4 | M29 V49 F57 V58 Y91 M122 Y123 | M29-Y31 HydrophobicContact CE-CE2 4.14Å; M29-Y31 HydrophobicContact CG-CE2 3.97Å; M29-Y31 HydrophobicContact SD-CE2 3.92Å; Y31-V49 CarbonylContact C-O 3.56Å; Y31-V49 WeakPolarHBondContact CA-O 3.41Å; Y31-F57 HydrophobicContact CE1-CZ 4.09Å; Y31-F57 AromaticContact CZ-CZ 3.88Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.44Å; Y31-V58 HydrophobicContact CE1-CG2 4Å; Y31-Y91 WeakPolarHBondContact CE1-OH 3.47Å; Y31-M122 WeakPolarHBondContact O-CA 3.39Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.41Å; Y31-Y123 WeakPolarHBondContact CB-OH 3.37Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.64Å; Y31-Y123 HydrophobicContact CD2-CE2 3.64Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 HydrophobicContact CE2-CE2 4.42Å; Y31-Y123 HydrophobicContact CG-CE1 4.25Å; Y31-Y123 HydrophobicContact CG-CE2 4.12Å; Y31-Y123 AromaticContact CG-CZ 3.68Å; Y31-Y123 PolarHBondContact N-O 2.92Å; Y31-Y123 PolarHBondContact O-N 3.32Å; Y31-Y123 VanDerWaalsContact O-N 3.16Å |
| 32 | F | 98.9 | Very high | 88.3 | Confident | 81 Ų | 81 | 58.7 Ų | 58.7 | 36% | 0.355 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 119.9 | 177.7 | -58.9 | -94.6 | 0 | 0 | 0 | 109.1 | R30 S48 V49 Y51 V121 M122 | R30-F32 HydrophobicContact CB-CD2 4.44Å; R30-F32 HydrophobicContact CB-CE2 3.63Å; R30-F32 HydrophobicContact CB-CZ 3.98Å; F32-S48 WeakPolarHBondContact O-CA 3.3Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.26Å; F32-V49 HydrophobicContact CG-CG2 4.48Å; F32-V49 PolarHBondContact N-O 2.79Å; F32-V49 PolarHBondContact O-N 3.17Å; F32-Y51 AromaticContact CD2-CD2 4Å; F32-Y51 HydrophobicContact CD2-CD2 4Å; F32-Y51 HydrophobicContact CD2-CE2 4.37Å; F32-Y51 AromaticContact CE2-CD2 3.94Å; F32-Y51 HydrophobicContact CE2-CD2 3.94Å; F32-Y51 HydrophobicContact CE2-CE2 4.49Å; F32-V121 CarbonylContact C-O 3.5Å; F32-V121 VanDerWaalsContact CA-O 3.31Å; F32-V121 WeakPolarHBondContact CA-O 3.44Å; F32-M122 HydrophobicContact CD1-CB 4.01Å; F32-M122 HydrophobicContact CD1-CG 3.75Å; F32-M122 HydrophobicContact CE1-CB 4.08Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CZ-CG 4.01Å |
| 33 | Y | 98.8 | Very high | 90.8 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 142.9 | 172.8 | -57 | -16.9 | 0 | 0 | 0 | 109.9 | F46 I47 S48 Y91 Q94 Q120 V121 Y123 | Y33-F46 HydrophobicContact CD1-CE2 4.41Å; Y33-F46 AromaticContact CD1-CZ 3.93Å; Y33-F46 HydrophobicContact CD1-CZ 3.93Å; Y33-F46 HydrophobicContact CD2-CE2 4.09Å; Y33-F46 HydrophobicContact CD2-CZ 4.18Å; Y33-F46 HydrophobicContact CE1-CZ 4.25Å; Y33-F46 HydrophobicContact CE2-CZ 4.46Å; Y33-F46 AromaticContact CG-CE2 3.9Å; Y33-F46 HydrophobicContact CG-CE2 3.9Å; Y33-F46 AromaticContact CG-CZ 3.87Å; Y33-F46 HydrophobicContact CG-CZ 3.87Å; Y33-I47 CarbonylContact C-O 3.54Å; Y33-I47 WeakPolarHBondContact CA-O 3.34Å; Y33-S48 WeakPolarHBondContact CD1-OG 3.27Å; Y33-S48 WeakPolarHBondContact CE1-OG 3.47Å; Y33-Y91 HydrophobicContact CE1-CD1 4.05Å; Y33-Y91 AromaticContact CE1-CE1 3.67Å; Y33-Y91 HydrophobicContact CE1-CE1 3.67Å; Y33-Y91 AromaticContact CZ-CE1 3.87Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.4Å; Y33-Q94 HydrophobicContact CD2-CG 3.82Å; Y33-Q94 HydrophobicContact CE2-CG 3.63Å; Y33-Q120 VanDerWaalsContact O-CA 3.31Å; Y33-Q120 WeakPolarHBondContact O-CA 3.39Å; Y33-V121 HydrophobicContact CD2-CB 4.13Å; Y33-V121 HydrophobicContact CD2-CG2 4.35Å; Y33-V121 HydrophobicContact CG-CB 4.35Å; Y33-V121 PolarHBondContact N-O 2.93Å; Y33-V121 PolarHBondContact O-N 3.03Å; Y33-Y123 HydrophobicContact CD1-CE1 4.42Å; Y33-Y123 HydrophobicContact CD2-CE1 4.26Å; Y33-Y123 AromaticContact CE1-CE1 3.77Å; Y33-Y123 HydrophobicContact CE1-CE1 3.77Å; Y33-Y123 HydrophobicContact CE2-CD1 4.44Å; Y33-Y123 AromaticContact CE2-CE1 3.61Å; Y33-Y123 HydrophobicContact CE2-CE1 3.61Å; Y33-Y123 AromaticContact CZ-CE1 3.38Å; Y33-Y123 AromaticContact CZ-CZ 3.84Å; Y33-Y123 PolarHBondContact OH-OH 3.47Å |
| 34 | T | 98.8 | Very high | 93.1 | Very high | 42 Ų | 42 | 52.1 Ų | 52.1 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 120.4 | 172 | -61.6 | 0 | 0 | 0 | 0 | 109.1 | V36 F46 I47 I118 I119 Q120 | T34-V36 HydrophobicContact CG2-CG2 4Å; T34-F46 WeakPolarHBondContact O-CA 3.43Å; T34-I47 PolarHBondContact N-O 3.36Å; T34-I47 PolarHBondContact O-N 3.33Å; T34-I118 HydrophobicContact CG2-CG2 4Å; T34-I119 WeakPolarHBondContact CA-O 3.48Å; T34-Q120 HydrophobicContact CG2-CG 4.44Å |
| 35 | S | 98.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 115.3 | -179.7 | -80.9 | 0 | 0 | 0 | 0 | 110.5 | R45 F46 D98 I118 I119 | S35-R45 CarbonylContact C-O 3.58Å; S35-R45 VanDerWaalsContact CA-O 3.27Å; S35-R45 WeakPolarHBondContact CA-O 3.04Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.45Å; S35-D98 WeakPolarHBondContact CB-OD2 3.35Å; S35-D98 WeakPolarHBondContact OG-CB 3.34Å; S35-D98 PolarHBondContact OG-OD2 3.05Å; S35-I118 CarbonylContact O-C 3.48Å; S35-I118 VanDerWaalsContact O-CA 3.3Å; S35-I118 WeakPolarHBondContact O-CA 3.44Å; S35-I119 PolarHBondContact N-O 2.91Å; S35-I119 PolarHBondContact O-N 3.28Å |
| 36 | V | 98.5 | Very high | 96.3 | Very high | 38 Ų | 38 | 52.1 Ų | 52.1 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 115.6 | -175.3 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | T34 R38 P44 R45 H117 I118 | T34-V36 HydrophobicContact CG2-CG2 4Å; V36-R38 HydrophobicContact CG1-CG 4.48Å; V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.31Å; V36-P44 WeakPolarHBondContact O-CB 3.12Å; V36-R45 PolarHBondContact N-O 3.32Å; V36-R45 PolarHBondContact O-N 3.21Å; V36-H117 WeakPolarHBondContact CA-O 3.3Å; V36-I118 HydrophobicContact CG1-CG1 4.18Å; V36-I118 HydrophobicContact CG2-CD1 4.3Å; V36-I118 HydrophobicContact CG2-CG1 4.09Å; V36-I118 HydrophobicContact CG2-CG2 4.23Å |
| 37 | S | 98 | Very high | 96.7 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.119 | 27% | 0.273 | C | S | . | . | trans | -70.6 | 143.1 | 172.3 | 75.8 | 0 | 0 | 0 | 0 | 110.7 | S116 H117 | S37-S116 WeakPolarHBondContact O-CB 3.18Å; S37-S116 PolarHBondContact O-OG 3.36Å; S37-H117 PolarHBondContact N-O 2.64Å; S37-H117 PolarHBondContact OG-N 2.85Å; S37-H117 PolarHBondContact OG-O 2.84Å | ||
| 38 | R | 96.1 | Very high | 96.9 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 23% | 0.23 | 26% | 0.262 | C | S | . | . | trans | -134.3 | 75.1 | -175.5 | -58.3 | 177.6 | -70.4 | -170.3 | -9.3 | 110.9 | V36 G40 R41 E43 D63 | V36-R38 HydrophobicContact CG1-CG 4.48Å; R38-G40 PolarHBondContact O-N 2.93Å; R38-R41 HydrophobicContact CB-CB 4.03Å; R38-R41 PolarHBondContact O-N 3.26Å; R38-E43 PolarHBondContact NE-O 2.87Å; R38-E43 VanDerWaalsContact NE-O 3.1Å; R38-E43 PolarHBondContact NH2-O 3.39Å; R38-D63 IonicContact CZ-OD1 3.51Å; R38-D63 IonicContact CZ-OD2 2.83Å; R38-D63 IonicContact NH1-OD1 3.74Å; R38-D63 PolarHBondContact NH1-OD1 2.84Å; R38-D63 IonicContact NH1-OD2 3.11Å; R38-D63 PolarHBondContact NH1-OD2 3.42Å; R38-D63 IonicContact NH2-OD1 3.9Å; R38-D63 PolarHBondContact NH2-OD1 2.69Å; R38-D63 IonicContact NH2-OD2 2.63Å | ||
| 39 | P | 92.5 | Very high | 96.9 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 128.7 | -178.7 | -26 | 33.6 | 0 | 0 | 0 | 111.9 | R41 E113 G115 | P39-R41 PolarHBondContact O-N 3.41Å; P39-E113 WeakPolarHBondContact CB-O 3.14Å; P39-E113 WeakPolarHBondContact CG-O 3.45Å; P39-G115 WeakPolarHBondContact CG-O 3.46Å |
| 40 | G | 91.3 | Very high | 96.9 | Very high | 90 Ų | 90 | 47.5 Ų | 47.5 | 93% | 0.928 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 3.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | R38 | R38-G40 PolarHBondContact O-N 2.93Š|
| 41 | R | 91.6 | Very high | 96.9 | Very high | 212 Ų | 212 | 48.2 Ų | 48.2 | 80% | 0.8 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -125.4 | 23.5 | -180 | -57.1 | -175.6 | -179.8 | -178.9 | 0.4 | 113.5 | R38 P39 | R38-R41 HydrophobicContact CB-CB 4.03Å; R38-R41 PolarHBondContact O-N 3.26Å; P39-R41 PolarHBondContact O-N 3.41Å |
| 42 | G | 90.9 | Very high | 96.9 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 61% | 0.608 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 94.6 | -155.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 43 | E | 93.8 | Very high | 96.7 | Very high | 93 Ų | 93 | 45.9 Ų | 45.9 | 44% | 0.435 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -71.2 | 157.5 | -177.3 | -64.5 | -57.9 | 161.7 | 0 | 0 | 112.6 | R38 R45 R99 | R38-E43 PolarHBondContact NE-O 2.87Å; R38-E43 VanDerWaalsContact NE-O 3.1Å; R38-E43 PolarHBondContact NH2-O 3.39Å; E43-R45 PolarHBondContact O-N 3.29Å; E43-R99 VanDerWaalsContact CD-NE 3.31Å; E43-R99 VanDerWaalsContact CD-NH2 3.32Å; E43-R99 IonicContact OE1-CZ 3.15Å; E43-R99 IonicContact OE1-NE 2.72Å; E43-R99 PolarHBondContact OE1-NE 3.33Å; E43-R99 IonicContact OE1-NH1 3.04Å; E43-R99 IonicContact OE1-NH2 3.28Å; E43-R99 PolarHBondContact OE1-NH2 2.9Å; E43-R99 VanDerWaalsContact OE2-CD 3.29Å; E43-R99 WeakPolarHBondContact OE2-CD 3.34Å; E43-R99 IonicContact OE2-CZ 3.9Å; E43-R99 IonicContact OE2-NE 3.35Å; E43-R99 PolarHBondContact OE2-NE 2.76Å; E43-R99 IonicContact OE2-NH2 3.45Å; E43-R99 PolarHBondContact OE2-NH2 3.25Å |
| 44 | P | 97.1 | Very high | 96.5 | Very high | 26 Ų | 26 | 52.9 Ų | 52.9 | 17% | 0.169 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 140.7 | 171.9 | -25.6 | 35.5 | 0 | 0 | 0 | 111.9 | V36 R99 L102 | V36-P44 CarbonylContact O-C 3.6Å; V36-P44 WeakPolarHBondContact O-CA 3.31Å; V36-P44 WeakPolarHBondContact O-CB 3.12Å; P44-R99 HydrophobicContact CG-CB 4.25Å; P44-R99 HydrophobicContact CG-CG 4.19Å; P44-L102 HydrophobicContact CB-CD1 3.56Å; P44-L102 HydrophobicContact CG-CD1 3.63Å |
| 45 | R | 98.4 | Very high | 96.4 | Very high | 85 Ų | 85 | 53.5 Ų | 53.5 | 32% | 0.321 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 126.5 | 171 | -173.3 | 179.1 | -176.6 | 179.8 | -3.5 | 108.5 | S35 V36 E43 I47 D61 D63 | S35-R45 CarbonylContact C-O 3.58Å; S35-R45 VanDerWaalsContact CA-O 3.27Å; S35-R45 WeakPolarHBondContact CA-O 3.04Å; V36-R45 PolarHBondContact N-O 3.32Å; V36-R45 PolarHBondContact O-N 3.21Å; E43-R45 PolarHBondContact O-N 3.29Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; R45-D61 IonicContact CZ-OD1 3.42Å; R45-D61 IonicContact CZ-OD2 3.5Å; R45-D61 IonicContact NE-OD1 2.77Å; R45-D61 PolarHBondContact NE-OD1 3.36Å; R45-D61 IonicContact NE-OD2 3.01Å; R45-D61 IonicContact NH2-OD1 3.81Å; R45-D61 PolarHBondContact NH2-OD1 3.13Å; R45-D61 IonicContact NH2-OD2 3.64Å; R45-D61 PolarHBondContact NH2-OD2 2.88Å; R45-D63 VanDerWaalsContact CD-OD2 3.23Å; R45-D63 WeakPolarHBondContact CD-OD2 3.25Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 3.4Å |
| 46 | F | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.1 | 172.6 | 174.2 | -87.8 | 0 | 0 | 0 | 109.7 | Y33 T34 S35 F60 S62 Y91 Q94 A95 D98 | Y33-F46 HydrophobicContact CD1-CE2 4.41Å; Y33-F46 AromaticContact CD1-CZ 3.93Å; Y33-F46 HydrophobicContact CD1-CZ 3.93Å; Y33-F46 HydrophobicContact CD2-CE2 4.09Å; Y33-F46 HydrophobicContact CD2-CZ 4.18Å; Y33-F46 HydrophobicContact CE1-CZ 4.25Å; Y33-F46 HydrophobicContact CE2-CZ 4.46Å; Y33-F46 AromaticContact CG-CE2 3.9Å; Y33-F46 HydrophobicContact CG-CE2 3.9Å; Y33-F46 AromaticContact CG-CZ 3.87Å; Y33-F46 HydrophobicContact CG-CZ 3.87Å; T34-F46 WeakPolarHBondContact O-CA 3.43Å; S35-F46 VanDerWaalsContact OG-CD2 3.28Å; S35-F46 WeakPolarHBondContact OG-CD2 3.45Å; F46-F60 AromaticContact CD1-CD1 3.6Å; F46-F60 HydrophobicContact CD1-CD1 3.6Å; F46-F60 AromaticContact CD1-CE1 3.74Å; F46-F60 HydrophobicContact CD1-CE1 3.74Å; F46-F60 AromaticContact CE1-CD1 3.79Å; F46-F60 HydrophobicContact CE1-CD1 3.79Å; F46-F60 HydrophobicContact CE1-CE1 4.24Å; F46-S62 PolarHBondContact N-OG 3.45Å; F46-S62 PolarHBondContact O-N 2.98Å; F46-S62 PolarHBondContact O-OG 2.82Å; F46-Y91 HydrophobicContact CE1-CD1 4.08Å; F46-Y91 HydrophobicContact CE1-CG 4.26Å; F46-Y91 HydrophobicContact CZ-CD1 4.15Å; F46-Q94 HydrophobicContact CE2-CB 4.17Å; F46-Q94 HydrophobicContact CE2-CG 3.58Å; F46-Q94 HydrophobicContact CZ-CB 4.14Å; F46-Q94 HydrophobicContact CZ-CG 3.89Å; F46-A95 HydrophobicContact CB-CB 3.63Å; F46-A95 HydrophobicContact CD1-CB 4.17Å; F46-A95 HydrophobicContact CD2-CB 4.26Å; F46-A95 HydrophobicContact CG-CB 3.76Å; F46-D98 WeakPolarHBondContact CD2-OD2 2.84Å |
| 47 | I | 98.8 | Very high | 96.3 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 17% | 0.174 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.1 | 171.5 | -65.5 | 163.1 | 0 | 0 | 0 | 108 | Y33 T34 R45 V49 F60 | Y33-I47 CarbonylContact C-O 3.54Å; Y33-I47 WeakPolarHBondContact CA-O 3.34Å; T34-I47 PolarHBondContact N-O 3.36Å; T34-I47 PolarHBondContact O-N 3.33Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; I47-V49 HydrophobicContact CG2-CG1 4.27Å; I47-F60 WeakPolarHBondContact CA-O 3.41Å |
| 48 | S | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.8 | 165.9 | 168.6 | 0 | 0 | 0 | 0 | 109.6 | F32 Y33 R59 F60 Y91 | F32-S48 WeakPolarHBondContact O-CA 3.3Å; Y33-S48 WeakPolarHBondContact CD1-OG 3.27Å; Y33-S48 WeakPolarHBondContact CE1-OG 3.47Å; S48-R59 CarbonylContact O-C 3.54Å; S48-R59 VanDerWaalsContact O-CA 3.32Å; S48-R59 WeakPolarHBondContact O-CA 3.39Å; S48-F60 PolarHBondContact N-O 3.11Å; S48-F60 PolarHBondContact O-N 3.21Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.5Å |
| 49 | V | 98.9 | Very high | 96.5 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139 | 168.1 | -64.1 | 0 | 0 | 0 | 0 | 109.8 | Y31 F32 I47 Y51 Q56 V58 R59 | Y31-V49 CarbonylContact C-O 3.56Å; Y31-V49 WeakPolarHBondContact CA-O 3.41Å; F32-V49 HydrophobicContact CB-CG2 3.83Å; F32-V49 HydrophobicContact CD2-CG2 4.26Å; F32-V49 HydrophobicContact CG-CG2 4.48Å; F32-V49 PolarHBondContact N-O 2.79Å; F32-V49 PolarHBondContact O-N 3.17Å; I47-V49 HydrophobicContact CG2-CG1 4.27Å; V49-Y51 HydrophobicContact CB-CE2 4.24Å; V49-Y51 HydrophobicContact CG2-CD2 4.46Å; V49-Y51 HydrophobicContact CG2-CE2 3.89Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.33Å; V49-V58 WeakPolarHBondContact CA-O 3.5Å; V49-R59 HydrophobicContact CG1-CB 4.41Å; V49-R59 HydrophobicContact CG1-CG 4.11Å |
| 50 | G | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R30 Q56 F57 V58 | R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.21Å; G50-Q56 WeakPolarHBondContact O-CA 3.48Å; G50-Q56 WeakPolarHBondContact O-CG 3.32Å; G50-F57 WeakPolarHBondContact O-CD1 3.5Å; G50-F57 PolarHBondContact O-N 3.4Å; G50-V58 PolarHBondContact N-O 3.09Å; G50-V58 VanDerWaalsContact N-O 3.11Å |
| 51 | Y | 98.7 | Very high | 97.1 | Very high | 70 Ų | 70 | 47.8 Ų | 47.8 | 28% | 0.275 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.1 | 178.2 | -76 | -99.7 | 0 | 0 | 0 | 110.5 | M29 R30 F32 V49 T55 Q56 | M29-Y51 CarbonylContact C-O 3.59Å; M29-Y51 VanDerWaalsContact CA-O 3.3Å; M29-Y51 WeakPolarHBondContact CA-O 3.2Å; R30-Y51 PolarHBondContact N-O 3.49Å; R30-Y51 PolarHBondContact O-N 3.12Å; F32-Y51 AromaticContact CD2-CD2 4Å; F32-Y51 HydrophobicContact CD2-CD2 4Å; F32-Y51 HydrophobicContact CD2-CE2 4.37Å; F32-Y51 AromaticContact CE2-CD2 3.94Å; F32-Y51 HydrophobicContact CE2-CD2 3.94Å; F32-Y51 HydrophobicContact CE2-CE2 4.49Å; V49-Y51 HydrophobicContact CB-CE2 4.24Å; V49-Y51 HydrophobicContact CG2-CD2 4.46Å; V49-Y51 HydrophobicContact CG2-CE2 3.89Å; Y51-T55 WeakPolarHBondContact CA-O 3.37Å; Y51-Q56 HydrophobicContact CD1-CB 4.1Å; Y51-Q56 HydrophobicContact CE1-CB 3.62Å; Y51-Q56 HydrophobicContact CE1-CG 4.38Å; Y51-Q56 HydrophobicContact CE2-CB 4.2Å; Y51-Q56 HydrophobicContact CE2-CG 4.06Å |
| 52 | V | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 118.9 | 157.9 | 171.2 | 0 | 0 | 0 | 0 | 105.6 | S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203 | S28-V52 CarbonylContact O-C 3.5Å; S28-V52 WeakPolarHBondContact O-CA 3.44Å; M29-V52 HydrophobicContact CG-CG2 4.46Å; V52-D54 PolarHBondContact O-N 2.78Å; V52-T55 PolarHBondContact N-O 2.94Å; V52-T55 WeakPolarHBondContact O-CB 3.24Å; V52-T55 PolarHBondContact O-N 2.94Å; V52-F57 HydrophobicContact CB-CD1 4.47Å; V52-F57 HydrophobicContact CG2-CD1 3.88Å; V52-F57 HydrophobicContact CG2-CE1 3.88Å; V52-F57 HydrophobicContact CG2-CG 4.49Å; V52-F57 HydrophobicContact CG2-CZ 4.5Å; V52-W75 HydrophobicContact CB-CH2 4.29Å; V52-W75 HydrophobicContact CB-CZ2 4.28Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.33Å; V52-L192 HydrophobicContact CG1-CD1 3.8Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; V52-Y195 HydrophobicContact CG2-CD2 3.81Å; V52-Y195 HydrophobicContact CG2-CG 4.32Å; V52-L196 HydrophobicContact CG1-CD2 3.95Å; V52-L203 HydrophobicContact CG1-CD1 4.29Å |
| 53 | D | 95.5 | Very high | 97.8 | Very high | 43 Ų | 43 | 40 Ų | 40 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | -126.6 | -165.1 | -55.6 | -38.5 | 0 | 0 | 0 | 110.1 | H27 S28 T55 | H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.46Å; H27-D53 IonicContact CE1-OD2 2.83Å; H27-D53 IonicContact CG-OD1 3.78Å; H27-D53 IonicContact CG-OD2 3.54Å; H27-D53 IonicContact ND1-OD1 3.68Å; H27-D53 IonicContact ND1-OD2 2.74Å; H27-D53 PolarHBondContact ND1-OD2 2.83Å; S28-D53 PolarHBondContact N-OD1 2.8Å; S28-D53 PolarHBondContact O-N 2.79Å; D53-T55 VanDerWaalsContact C-N 3.33Å |
| 54 | D | 94.5 | Very high | 97.9 | Very high | 160 Ų | 160 | 37.2 Ų | 37.2 | 86% | 0.856 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 9.2 | 178.4 | -62.5 | -52.7 | 0 | 0 | 0 | 113.4 | V52 | V52-D54 PolarHBondContact O-N 2.78Š|
| 55 | T | 96.2 | Very high | 97.9 | Very high | 54 Ų | 54 | 41.6 Ų | 41.6 | 33% | 0.331 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 113.8 | -177 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | Y51 V52 D53 F57 A73 | Y51-T55 WeakPolarHBondContact CA-O 3.37Å; V52-T55 PolarHBondContact N-O 2.94Å; V52-T55 WeakPolarHBondContact O-CB 3.24Å; V52-T55 PolarHBondContact O-N 2.94Å; D53-T55 VanDerWaalsContact C-N 3.33Å; T55-F57 PolarHBondContact O-N 3.44Å; T55-A73 HydrophobicContact CG2-CB 4.42Å |
| 56 | Q | 98.2 | Very high | 97.8 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 125.3 | 171.1 | -167.6 | -175.7 | -6.5 | 0 | 0 | 110.2 | V49 G50 Y51 V58 R72 | V49-Q56 VanDerWaalsContact CG1-NE2 3.33Å; G50-Q56 WeakPolarHBondContact O-CA 3.48Å; G50-Q56 WeakPolarHBondContact O-CG 3.32Å; Y51-Q56 HydrophobicContact CD1-CB 4.1Å; Y51-Q56 HydrophobicContact CE1-CB 3.62Å; Y51-Q56 HydrophobicContact CE1-CG 4.38Å; Y51-Q56 HydrophobicContact CE2-CB 4.2Å; Y51-Q56 HydrophobicContact CE2-CG 4.06Å; Q56-V58 PolarHBondContact NE2-O 3.24Å; Q56-R72 HydrophobicContact CG-CB 4.19Å; Q56-R72 HydrophobicContact CG-CG 4.39Å; Q56-R72 CarbonylContact O-C 3.51Å |
| 57 | F | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | -21.5 | -177.6 | 76.4 | -82 | 0 | 0 | 0 | 114.3 | M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195 | M29-F57 HydrophobicContact SD-CZ 4.39Å; Y31-F57 HydrophobicContact CE1-CZ 4.09Å; Y31-F57 AromaticContact CZ-CZ 3.88Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.44Å; G50-F57 WeakPolarHBondContact O-CD1 3.5Å; G50-F57 PolarHBondContact O-N 3.4Å; V52-F57 HydrophobicContact CB-CD1 4.47Å; V52-F57 HydrophobicContact CG2-CD1 3.88Å; V52-F57 HydrophobicContact CG2-CE1 3.88Å; V52-F57 HydrophobicContact CG2-CG 4.49Å; V52-F57 HydrophobicContact CG2-CZ 4.5Å; T55-F57 PolarHBondContact O-N 3.44Å; F57-R72 PolarHBondContact O-N 3.04Å; F57-A73 HydrophobicContact CB-CB 4.07Å; F57-W75 HydrophobicContact CB-CH2 3.2Å; F57-W75 HydrophobicContact CB-CZ2 3.27Å; F57-W75 HydrophobicContact CB-CZ3 4.11Å; F57-W75 HydrophobicContact CD1-CH2 4.08Å; F57-W75 AromaticContact CD2-CH2 3.56Å; F57-W75 HydrophobicContact CD2-CH2 3.56Å; F57-W75 HydrophobicContact CD2-CZ2 4.49Å; F57-W75 AromaticContact CD2-CZ3 3.94Å; F57-W75 HydrophobicContact CD2-CZ3 3.94Å; F57-W75 HydrophobicContact CE2-CH2 4.44Å; F57-W75 AromaticContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CH2 3.36Å; F57-W75 AromaticContact CG-CZ2 3.93Å; F57-W75 HydrophobicContact CG-CZ2 3.93Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; F57-I76 HydrophobicContact CD2-CB 4.34Å; F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 3.99Å; F57-I76 HydrophobicContact CE2-CD1 4.19Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.46Å; F57-Y195 HydrophobicContact CE2-CD2 4.13Å; F57-Y195 AromaticContact CE2-CE2 3.63Å; F57-Y195 HydrophobicContact CE2-CE2 3.63Å; F57-Y195 AromaticContact CE2-CZ 3.87Å; F57-Y195 HydrophobicContact CZ-CD2 4.15Å; F57-Y195 AromaticContact CZ-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CE2 3.69Å |
| 58 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 157 | 176.2 | -72.5 | 0 | 0 | 0 | 0 | 112.7 | Y31 V49 G50 Q56 E69 E70 I76 W84 | Y31-V58 HydrophobicContact CE1-CG2 4Å; V49-V58 WeakPolarHBondContact CA-O 3.5Å; G50-V58 PolarHBondContact N-O 3.09Å; G50-V58 VanDerWaalsContact N-O 3.11Å; Q56-V58 PolarHBondContact NE2-O 3.24Å; V58-E69 HydrophobicContact CB-CG 4.02Å; V58-E69 WeakPolarHBondContact CB-OE1 3.26Å; V58-E69 HydrophobicContact CG1-CG 4.16Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.44Å; V58-E70 WeakPolarHBondContact CA-O 3.12Å; V58-I76 HydrophobicContact CG1-CG1 4.23Å; V58-W84 HydrophobicContact CG1-CH2 4.1Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å |
| 59 | R | 98.8 | Very high | 97.7 | Very high | 62 Ų | 62 | 48.5 Ų | 48.5 | 23% | 0.234 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 142.1 | 172 | -179.4 | 177 | 173.3 | 83.6 | 5.7 | 111.1 | S48 V49 D61 E69 E70 R72 | S48-R59 CarbonylContact O-C 3.54Å; S48-R59 VanDerWaalsContact O-CA 3.32Å; S48-R59 WeakPolarHBondContact O-CA 3.39Å; V49-R59 HydrophobicContact CG1-CB 4.41Å; V49-R59 HydrophobicContact CG1-CG 4.11Å; R59-D61 IonicContact CZ-OD2 3.57Å; R59-D61 IonicContact NH2-OD2 3.41Å; R59-D61 PolarHBondContact NH2-OD2 3.12Å; R59-E69 WeakPolarHBondContact O-CA 3.26Å; R59-E70 PolarHBondContact N-O 3.19Å; R59-E70 PolarHBondContact O-N 3.18Å; R59-R72 HydrophobicContact CB-CG 3.94Å |
| 60 | F | 98.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 143.2 | 164 | 177.9 | -81.6 | 0 | 0 | 0 | 109.8 | F46 I47 S48 P67 R68 T88 Y91 K92 | F46-F60 AromaticContact CD1-CD1 3.6Å; F46-F60 HydrophobicContact CD1-CD1 3.6Å; F46-F60 AromaticContact CD1-CE1 3.74Å; F46-F60 HydrophobicContact CD1-CE1 3.74Å; F46-F60 AromaticContact CE1-CD1 3.79Å; F46-F60 HydrophobicContact CE1-CD1 3.79Å; F46-F60 HydrophobicContact CE1-CE1 4.24Å; I47-F60 WeakPolarHBondContact CA-O 3.41Å; S48-F60 PolarHBondContact N-O 3.11Å; S48-F60 PolarHBondContact O-N 3.21Å; F60-P67 HydrophobicContact CE2-CB 4.09Å; F60-P67 HydrophobicContact CZ-CB 3.8Å; F60-R68 VanDerWaalsContact CD2-C 3.43Å; F60-T88 HydrophobicContact CE2-CG2 4.42Å; F60-Y91 HydrophobicContact CB-CD2 3.77Å; F60-Y91 HydrophobicContact CB-CE2 4.35Å; F60-Y91 HydrophobicContact CB-CG 4.05Å; F60-Y91 AromaticContact CD2-CD2 3.99Å; F60-Y91 HydrophobicContact CD2-CD2 3.99Å; F60-Y91 HydrophobicContact CD2-CG 4.29Å; F60-Y91 AromaticContact CG-CD2 3.99Å; F60-Y91 HydrophobicContact CG-CD2 3.99Å; F60-Y91 HydrophobicContact CG-CG 4.05Å; F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4Å |
| 61 | D | 98.8 | Very high | 97.7 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 118.8 | 175.6 | -161.6 | -29.3 | 0 | 0 | 0 | 110.4 | R45 R59 D63 A64 | R45-D61 IonicContact CZ-OD1 3.42Å; R45-D61 IonicContact CZ-OD2 3.5Å; R45-D61 IonicContact NE-OD1 2.77Å; R45-D61 PolarHBondContact NE-OD1 3.36Å; R45-D61 IonicContact NE-OD2 3.01Å; R45-D61 IonicContact NH2-OD1 3.81Å; R45-D61 PolarHBondContact NH2-OD1 3.13Å; R45-D61 IonicContact NH2-OD2 3.64Å; R45-D61 PolarHBondContact NH2-OD2 2.88Å; R59-D61 IonicContact CZ-OD2 3.57Å; R59-D61 IonicContact NH2-OD2 3.41Å; R59-D61 PolarHBondContact NH2-OD2 3.12Å; D61-D63 PolarHBondContact O-N 2.89Å; D61-D63 PolarHBondContact OD1-N 2.9Å; D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.21Å; D61-A64 PolarHBondContact O-N 3Å |
| 62 | S | 98.3 | Very high | 97.7 | Very high | 33 Ų | 33 | 54.9 Ų | 54.9 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -20.8 | -178.4 | 69.9 | 0 | 0 | 0 | 0 | 113.5 | F46 A64 P67 | F46-S62 PolarHBondContact N-OG 3.45Å; F46-S62 PolarHBondContact O-N 2.98Å; F46-S62 PolarHBondContact O-OG 2.82Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-P67 WeakPolarHBondContact O-CG 3.31Å |
| 63 | D | 97.2 | Very high | 97.5 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -3.3 | 178.8 | -80.7 | 5 | 0 | 0 | 0 | 112.9 | R38 R45 D61 | R38-D63 IonicContact CZ-OD1 3.51Å; R38-D63 IonicContact CZ-OD2 2.83Å; R38-D63 IonicContact NH1-OD1 3.74Å; R38-D63 PolarHBondContact NH1-OD1 2.84Å; R38-D63 IonicContact NH1-OD2 3.11Å; R38-D63 PolarHBondContact NH1-OD2 3.42Å; R38-D63 IonicContact NH2-OD1 3.9Å; R38-D63 PolarHBondContact NH2-OD1 2.69Å; R38-D63 IonicContact NH2-OD2 2.63Å; R45-D63 VanDerWaalsContact CD-OD2 3.23Å; R45-D63 WeakPolarHBondContact CD-OD2 3.25Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 3.4Å; D61-D63 PolarHBondContact O-N 2.89Å; D61-D63 PolarHBondContact OD1-N 2.9Å |
| 64 | A | 97.4 | Very high | 97.5 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -62.4 | 149.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | D61 S62 S66 P67 | D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.21Å; D61-A64 PolarHBondContact O-N 3Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 2.81Å; A64-S66 VanDerWaalsContact O-N 3.16Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.35Å |
| 65 | A | 96.9 | Very high | 97.4 | Very high | 117 Ų | 117 | 50 Ų | 50 | 97% | 0.967 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -59.1 | -30 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 66 | S | 96.8 | Very high | 97.4 | Very high | 80 Ų | 80 | 47.4 Ų | 47.4 | 56% | 0.559 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -133.1 | 90.3 | 170.5 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | A64 R68 | A64-S66 PolarHBondContact O-N 2.81Å; A64-S66 VanDerWaalsContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 3.14Å; S66-R68 VanDerWaalsContact O-N 3.13Å |
| 67 | P | 97.6 | Very high | 97.2 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 23% | 0.234 | 28% | 0.28 | C | S | . | . | trans | -64.4 | 113.1 | -176.4 | -23.9 | 35.3 | 0 | 0 | 0 | 112 | F60 S62 A64 K92 | F60-P67 HydrophobicContact CE2-CB 4.09Å; F60-P67 HydrophobicContact CZ-CB 3.8Å; S62-P67 WeakPolarHBondContact O-CG 3.31Å; A64-P67 VanDerWaalsContact O-CD 3.23Å; A64-P67 WeakPolarHBondContact O-CD 3.37Å; A64-P67 VanDerWaalsContact O-CG 3.3Å; A64-P67 WeakPolarHBondContact O-CG 3.35Å; P67-K92 WeakPolarHBondContact O-CE 3.04Å; P67-K92 PolarHBondContact O-NZ 2.77Å | ||
| 68 | R | 98.3 | Very high | 97.1 | Very high | 145 Ų | 145 | 56.5 Ų | 56.5 | 55% | 0.547 | 31% | 0.306 | S | S | . | . | trans | -147.9 | 158.8 | 177.1 | 63.4 | -177.4 | 170.7 | 179.5 | -1.6 | 110.4 | F60 S66 E70 T88 | F60-R68 VanDerWaalsContact CD2-C 3.43Å; S66-R68 PolarHBondContact O-N 3.14Å; S66-R68 VanDerWaalsContact O-N 3.13Å; R68-E70 HydrophobicContact CG-CG 4.02Å; R68-E70 IonicContact NE-OE1 3.56Å; R68-T88 HydrophobicContact CB-CG2 4.23Å | ||
| 69 | E | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.028 | 31% | 0.309 | C | S | . | . | trans | -70.9 | 135.8 | 166.9 | -168.6 | -178.6 | -138.4 | 0 | 0 | 109 | V58 R59 W84 N87 T88 Y91 | V58-E69 HydrophobicContact CB-CG 4.02Å; V58-E69 WeakPolarHBondContact CB-OE1 3.26Å; V58-E69 HydrophobicContact CG1-CG 4.16Å; V58-E69 WeakPolarHBondContact CG2-OE1 3.44Å; R59-E69 WeakPolarHBondContact O-CA 3.26Å; E69-W84 HydrophobicContact CB-CE3 4.16Å; E69-W84 HydrophobicContact CB-CZ3 4.45Å; E69-W84 HydrophobicContact CG-CE3 4.13Å; E69-W84 HydrophobicContact CG-CZ3 3.94Å; E69-N87 WeakPolarHBondContact OE2-CB 3.34Å; E69-N87 PolarHBondContact OE2-ND2 2.86Å; E69-N87 VanDerWaalsContact OE2-ND2 3.15Å; E69-T88 PolarHBondContact N-OG1 3Å; E69-Y91 HydrophobicContact CB-CD2 4.25Å; E69-Y91 HydrophobicContact CB-CE2 4.06Å; E69-Y91 VanDerWaalsContact CD-CE2 3.48Å; E69-Y91 HydrophobicContact CG-CD2 4.46Å; E69-Y91 HydrophobicContact CG-CE2 3.81Å; E69-Y91 WeakPolarHBondContact OE1-CE2 3.23Å; E69-Y91 PolarHBondContact OE1-OH 3.18Å | ||
| 70 | E | 98.4 | Very high | 96.8 | Very high | 58 Ų | 58 | 55.6 Ų | 55.6 | 27% | 0.271 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.2 | -175.6 | -61.6 | -178 | 149.3 | 0 | 0 | 110.8 | V58 R59 R68 R72 | V58-E70 WeakPolarHBondContact CA-O 3.12Å; R59-E70 PolarHBondContact N-O 3.19Å; R59-E70 PolarHBondContact O-N 3.18Å; R68-E70 HydrophobicContact CG-CG 4.02Å; R68-E70 IonicContact NE-OE1 3.56Å; E70-R72 IonicContact OE2-CZ 2.79Å; E70-R72 IonicContact OE2-NH2 3.73Å; E70-R72 PolarHBondContact OE2-NH2 3.08Å |
| 71 | P | 98.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 33% | 0.325 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 144.6 | 174.5 | 28.9 | -34.8 | 0 | 0 | 0 | 111 | I76 E77 W84 | P71-I76 HydrophobicContact CB-CG2 3.57Å; P71-E77 HydrophobicContact CB-CG 3.86Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 4.04Å; P71-W84 HydrophobicContact CG-CH2 4.25Å; P71-W84 HydrophobicContact CG-CZ2 4.43Å |
| 72 | R | 98 | Very high | 96.7 | Very high | 118 Ų | 118 | 65.2 Ų | 65.2 | 45% | 0.445 | 36% | 0.364 | S | S | . | . | trans | -126.8 | -3.3 | 174.8 | -58.7 | -64.7 | 169.5 | 176.5 | -2.6 | 113.1 | Q56 F57 R59 E70 | Q56-R72 HydrophobicContact CG-CB 4.19Å; Q56-R72 HydrophobicContact CG-CG 4.39Å; Q56-R72 CarbonylContact O-C 3.51Å; F57-R72 PolarHBondContact O-N 3.04Å; R59-R72 HydrophobicContact CB-CG 3.94Å; E70-R72 IonicContact OE2-CZ 2.79Å; E70-R72 IonicContact OE2-NH2 3.73Å; E70-R72 PolarHBondContact OE2-NH2 3.08Å | ||
| 73 | A | 95.2 | Very high | 96.7 | Very high | 6 Ų | 6 | 64.2 Ų | 64.2 | 5% | 0.05 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -134.4 | 144.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T55 F57 W75 I76 | T55-A73 HydrophobicContact CG2-CB 4.42Å; F57-A73 HydrophobicContact CB-CB 4.07Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.23Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.11Å; A73-W75 PolarHBondContact O-N 2.76Å; A73-I76 WeakPolarHBondContact O-CG2 3.08Å; A73-I76 PolarHBondContact O-N 2.68Å |
| 74 | P | 94.3 | Very high | 96.8 | Very high | 76 Ų | 76 | 62.5 Ų | 62.5 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -60.9 | -31.8 | -176.5 | -26.3 | 34.9 | 0 | 0 | 0 | 114.4 | I76 E77 | P74-I76 VanDerWaalsContact C-N 3.26Å; P74-I76 PolarHBondContact O-N 3.06Å; P74-E77 WeakPolarHBondContact O-CB 3.03Å; P74-E77 PolarHBondContact O-N 3.02Å |
| 75 | W | 93.3 | Very high | 96.8 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 6% | 0.064 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -72.8 | -16.2 | -176.3 | 54.3 | -107 | 0 | 0 | 0 | 113.6 | V52 F57 A73 Q78 Y195 N198 | V52-W75 HydrophobicContact CB-CH2 4.29Å; V52-W75 HydrophobicContact CB-CZ2 4.28Å; V52-W75 HydrophobicContact CG2-CH2 3.84Å; V52-W75 HydrophobicContact CG2-CZ2 4.33Å; F57-W75 HydrophobicContact CB-CH2 3.2Å; F57-W75 HydrophobicContact CB-CZ2 3.27Å; F57-W75 HydrophobicContact CB-CZ3 4.11Å; F57-W75 HydrophobicContact CD1-CH2 4.08Å; F57-W75 AromaticContact CD2-CH2 3.56Å; F57-W75 HydrophobicContact CD2-CH2 3.56Å; F57-W75 HydrophobicContact CD2-CZ2 4.49Å; F57-W75 AromaticContact CD2-CZ3 3.94Å; F57-W75 HydrophobicContact CD2-CZ3 3.94Å; F57-W75 HydrophobicContact CE2-CH2 4.44Å; F57-W75 AromaticContact CG-CH2 3.36Å; F57-W75 HydrophobicContact CG-CH2 3.36Å; F57-W75 AromaticContact CG-CZ2 3.93Å; F57-W75 HydrophobicContact CG-CZ2 3.93Å; F57-W75 HydrophobicContact CG-CZ3 4.2Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.23Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 4.11Å; A73-W75 PolarHBondContact O-N 2.76Å; W75-Q78 WeakPolarHBondContact O-CG 3.39Å; W75-Y195 HydrophobicContact CH2-CG 4.09Å; W75-Y195 AromaticContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD2 4.46Å; W75-Y195 AromaticContact CZ3-CG 3.68Å; W75-Y195 HydrophobicContact CZ3-CG 3.68Å; W75-N198 HydrophobicContact CE3-CB 4.47Å |
| 76 | I | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -85.9 | -18.6 | 175.2 | -165.5 | 70.4 | 0 | 0 | 0 | 111.7 | F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195 | F57-I76 HydrophobicContact CD2-CB 4.34Å; F57-I76 HydrophobicContact CD2-CD1 3.94Å; F57-I76 HydrophobicContact CD2-CG1 3.99Å; F57-I76 HydrophobicContact CE2-CD1 4.19Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.46Å; V58-I76 HydrophobicContact CG1-CG1 4.23Å; P71-I76 HydrophobicContact CB-CG2 3.57Å; A73-I76 WeakPolarHBondContact O-CG2 3.08Å; A73-I76 PolarHBondContact O-N 2.68Å; P74-I76 VanDerWaalsContact C-N 3.26Å; P74-I76 PolarHBondContact O-N 3.06Å; I76-Q78 PolarHBondContact O-N 3.39Å; I76-Q78 VanDerWaalsContact O-N 3.08Å; I76-E79 HydrophobicContact CD1-CG 3.65Å; I76-E79 HydrophobicContact CG1-CG 4.26Å; I76-E79 WeakPolarHBondContact O-CB 3.31Å; I76-E79 WeakPolarHBondContact O-CG 3.34Å; I76-E79 PolarHBondContact O-N 3.18Å; I76-Y83 HydrophobicContact CD1-CE1 4.31Å; I76-Y83 HydrophobicContact CG1-CE1 4.38Å; I76-W84 HydrophobicContact CB-CH2 4.44Å; I76-W84 HydrophobicContact CG1-CH2 3.71Å; I76-W84 HydrophobicContact CG1-CZ2 4.01Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 HydrophobicContact CG2-CZ2 4.45Å; I76-W84 WeakPolarHBondContact O-CZ2 3.49Å; I76-Y195 HydrophobicContact CD1-CD1 3.78Å; I76-Y195 HydrophobicContact CD1-CE1 3.36Å |
| 77 | E | 94.6 | Very high | 96.9 | Very high | 128 Ų | 128 | 62.8 Ų | 62.8 | 60% | 0.598 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.5 | -178.8 | -64 | 179.7 | -168.5 | 0 | 0 | 113.4 | P71 P74 E79 | P71-E77 HydrophobicContact CB-CG 3.86Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P74-E77 WeakPolarHBondContact O-CB 3.03Å; P74-E77 PolarHBondContact O-N 3.02Å; E77-E79 VanDerWaalsContact C-N 3.25Å; E77-E79 PolarHBondContact O-N 3.35Å |
| 78 | Q | 93.9 | Very high | 97 | Very high | 118 Ų | 118 | 61.5 Ų | 61.5 | 55% | 0.551 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -12 | 175.9 | 73.1 | -175.3 | 33.5 | 0 | 0 | 114 | W75 I76 N198 | W75-Q78 WeakPolarHBondContact O-CG 3.39Å; I76-Q78 PolarHBondContact O-N 3.39Å; I76-Q78 VanDerWaalsContact O-N 3.08Å; Q78-N198 PolarHBondContact NE2-ND2 2.83Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.13Å; Q78-N198 PolarHBondContact NE2-OD1 2.91Å |
| 79 | E | 96.4 | Very high | 97 | Very high | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -67.5 | 139.4 | 174.8 | -64.8 | -59.7 | 159.8 | 0 | 0 | 111.1 | I76 E77 Y83 W84 R194 N198 | I76-E79 HydrophobicContact CD1-CG 3.65Å; I76-E79 HydrophobicContact CG1-CG 4.26Å; I76-E79 WeakPolarHBondContact O-CB 3.31Å; I76-E79 WeakPolarHBondContact O-CG 3.34Å; I76-E79 PolarHBondContact O-N 3.18Å; E77-E79 VanDerWaalsContact C-N 3.25Å; E77-E79 PolarHBondContact O-N 3.35Å; E79-Y83 HydrophobicContact CB-CD1 3.74Å; E79-Y83 HydrophobicContact CB-CD2 4.41Å; E79-Y83 HydrophobicContact CB-CE1 4.3Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.22Å; E79-Y83 HydrophobicContact CG-CD2 4.33Å; E79-Y83 HydrophobicContact CG-CE1 4.37Å; E79-Y83 HydrophobicContact CG-CE2 4.45Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 PolarHBondContact O-NE1 3.01Å; E79-R194 IonicContact OE1-CZ 3.52Å; E79-R194 IonicContact OE1-NE 3.45Å; E79-R194 PolarHBondContact OE1-NE 2.74Å; E79-R194 IonicContact OE1-NH2 2.65Å; E79-R194 PolarHBondContact OE1-NH2 3.41Å; E79-R194 IonicContact OE2-CZ 3.49Å; E79-R194 IonicContact OE2-NE 2.78Å; E79-R194 PolarHBondContact OE2-NE 3.24Å; E79-R194 IonicContact OE2-NH2 3.59Å; E79-R194 PolarHBondContact OE2-NH2 3.48Å; E79-N198 PolarHBondContact OE1-ND2 2.8Å; E79-N198 VanDerWaalsContact OE1-ND2 3.14Å |
| 80 | G | 96.8 | Very high | 97 | Very high | 30 Ų | 30 | 63.6 Ų | 63.6 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | trans | -70.4 | 166.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E82 Y83 | G80-E82 PolarHBondContact O-N 2.79Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 3.32Å; G80-Y83 VanDerWaalsContact O-N 3.08Å | ||
| 81 | P | 97.4 | Very high | 97 | Very high | 84 Ų | 84 | 61 Ų | 61 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.5 | -32.7 | -179.2 | 23.3 | -32.5 | 0 | 0 | 0 | 113.2 | Y83 W84 D85 | P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.89Å; P81-W84 PolarHBondContact O-N 3.41Å; P81-D85 WeakPolarHBondContact O-CB 3.42Å; P81-D85 PolarHBondContact O-N 3.3Å |
| 82 | E | 97.9 | Very high | 97 | Very high | 144 Ų | 144 | 62.5 Ų | 62.5 | 67% | 0.673 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.9 | -33.5 | 178.7 | -61.4 | 77.3 | -169.6 | 0 | 0 | 112.6 | G80 R86 | G80-E82 PolarHBondContact O-N 2.79Å; E82-R86 WeakPolarHBondContact O-CB 3.3Å; E82-R86 PolarHBondContact O-N 2.04Å |
| 83 | Y | 97.8 | Very high | 97 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 4% | 0.043 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -52.6 | 174.7 | 170.9 | -88.6 | 0 | 0 | 0 | 110.4 | I76 E79 G80 P81 D85 R86 N87 W191 Y195 | I76-Y83 HydrophobicContact CD1-CE1 4.31Å; I76-Y83 HydrophobicContact CG1-CE1 4.38Å; E79-Y83 HydrophobicContact CB-CD1 3.74Å; E79-Y83 HydrophobicContact CB-CD2 4.41Å; E79-Y83 HydrophobicContact CB-CE1 4.3Å; E79-Y83 HydrophobicContact CB-CG 3.81Å; E79-Y83 HydrophobicContact CG-CD1 4.22Å; E79-Y83 HydrophobicContact CG-CD2 4.33Å; E79-Y83 HydrophobicContact CG-CE1 4.37Å; E79-Y83 HydrophobicContact CG-CE2 4.45Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.35Å; G80-Y83 PolarHBondContact O-N 3.32Å; G80-Y83 VanDerWaalsContact O-N 3.08Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.89Å; Y83-D85 PolarHBondContact O-N 3.45Å; Y83-R86 PolarHBondContact O-N 2.98Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.34Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.27Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.21Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.15Å; Y83-N87 PolarHBondContact O-N 3.24Å; Y83-N87 PolarHBondContact O-ND2 2.88Å; Y83-W191 AromaticContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.85Å; Y83-W191 HydrophobicContact CD2-CZ3 3.85Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CZ2 4.46Å; Y83-W191 AromaticContact CE2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CZ3 3.68Å; Y83-Y195 HydrophobicContact CE2-CE1 4.45Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.25Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.44Å; Y83-Y195 PolarHBondContact OH-OH 3Å |
| 84 | W | 98.4 | Very high | 97.2 | Very high | 39 Ų | 39 | 61 Ų | 61 | 15% | 0.148 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | -177.6 | -62.8 | 110.7 | 0 | 0 | 0 | 112.2 | V58 E69 P71 I76 E79 P81 T88 | V58-W84 HydrophobicContact CG1-CH2 4.1Å; V58-W84 HydrophobicContact CG1-CZ3 3.91Å; E69-W84 HydrophobicContact CB-CE3 4.16Å; E69-W84 HydrophobicContact CB-CZ3 4.45Å; E69-W84 HydrophobicContact CG-CE3 4.13Å; E69-W84 HydrophobicContact CG-CZ3 3.94Å; P71-W84 HydrophobicContact CB-CH2 3.66Å; P71-W84 HydrophobicContact CB-CZ2 4.04Å; P71-W84 HydrophobicContact CG-CH2 4.25Å; P71-W84 HydrophobicContact CG-CZ2 4.43Å; I76-W84 HydrophobicContact CB-CH2 4.44Å; I76-W84 HydrophobicContact CG1-CH2 3.71Å; I76-W84 HydrophobicContact CG1-CZ2 4.01Å; I76-W84 HydrophobicContact CG2-CH2 4.03Å; I76-W84 HydrophobicContact CG2-CZ2 4.45Å; I76-W84 WeakPolarHBondContact O-CZ2 3.49Å; E79-W84 PolarHBondContact O-NE1 3.01Å; P81-W84 PolarHBondContact O-N 3.41Å; W84-T88 WeakPolarHBondContact O-CB 3.13Å; W84-T88 PolarHBondContact O-N 2.91Å; W84-T88 PolarHBondContact O-OG1 3.46Å |
| 85 | D | 98.4 | Very high | 97.3 | Very high | 107 Ų | 107 | 58.2 Ų | 58.2 | 57% | 0.572 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65 | -47.9 | 177.4 | -78 | -19.1 | 0 | 0 | 0 | 111 | P81 Y83 T88 Q89 | P81-D85 WeakPolarHBondContact O-CB 3.42Å; P81-D85 PolarHBondContact O-N 3.3Å; Y83-D85 PolarHBondContact O-N 3.45Å; D85-T88 PolarHBondContact O-N 2.87Å; D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 3.08Å |
| 86 | R | 98.2 | Very high | 97.6 | Very high | 114 Ų | 114 | 62.1 Ų | 62.1 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.2 | -52.5 | 179.5 | -178.1 | -176.5 | 66.9 | 172 | 1.9 | 111.5 | E82 Y83 T88 Q89 I90 W191 | E82-R86 WeakPolarHBondContact O-CB 3.3Å; E82-R86 PolarHBondContact O-N 2.04Å; Y83-R86 PolarHBondContact O-N 2.98Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 3.16Å; R86-Q89 PolarHBondContact O-N 3.42Å; R86-Q89 VanDerWaalsContact O-N 3.15Å; R86-I90 HydrophobicContact CG-CD1 4.19Å; R86-I90 WeakPolarHBondContact O-CG1 3.5Å; R86-I90 PolarHBondContact O-N 2.89Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.28Å |
| 87 | N | 98.1 | Very high | 97.6 | Very high | 18 Ų | 18 | 65.5 Ų | 65.5 | 10% | 0.096 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67 | -36.2 | -178.5 | -71 | -37.2 | 0 | 0 | 0 | 112 | E69 Y83 Q89 I90 Y91 | E69-N87 WeakPolarHBondContact OE2-CB 3.34Å; E69-N87 PolarHBondContact OE2-ND2 2.86Å; E69-N87 VanDerWaalsContact OE2-ND2 3.15Å; Y83-N87 WeakPolarHBondContact CD2-ND2 3.34Å; Y83-N87 VanDerWaalsContact CE1-ND2 3.27Å; Y83-N87 WeakPolarHBondContact CE1-ND2 3.21Å; Y83-N87 WeakPolarHBondContact CE2-ND2 3.15Å; Y83-N87 PolarHBondContact O-N 3.24Å; Y83-N87 PolarHBondContact O-ND2 2.88Å; N87-Q89 VanDerWaalsContact C-N 3.28Å; N87-Q89 PolarHBondContact O-N 3.01Å; N87-I90 WeakPolarHBondContact O-CB 3.38Å; N87-I90 PolarHBondContact O-N 2.69Å; N87-I90 VanDerWaalsContact O-N 3.14Å; N87-Y91 HydrophobicContact CB-CE2 4.1Å; N87-Y91 WeakPolarHBondContact O-CD2 3.25Å; N87-Y91 PolarHBondContact O-N 3.02Å |
| 88 | T | 98.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.2 | -43.1 | 171.1 | -68.4 | 0 | 0 | 0 | 0 | 111.7 | F60 R68 E69 W84 D85 R86 K92 | F60-T88 HydrophobicContact CE2-CG2 4.42Å; R68-T88 HydrophobicContact CB-CG2 4.23Å; E69-T88 PolarHBondContact N-OG1 3Å; W84-T88 WeakPolarHBondContact O-CB 3.13Å; W84-T88 PolarHBondContact O-N 2.91Å; W84-T88 PolarHBondContact O-OG1 3.46Å; D85-T88 PolarHBondContact O-N 2.87Å; R86-T88 VanDerWaalsContact C-N 3.34Å; R86-T88 PolarHBondContact O-N 3.16Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.37Å; T88-K92 PolarHBondContact O-N 3.37Å; T88-K92 VanDerWaalsContact O-N 3.08Å |
| 89 | Q | 98.6 | Very high | 97.9 | Very high | 115 Ų | 115 | 57 Ų | 57 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68 | -38.6 | 176.3 | -63.8 | -52.1 | -39.8 | 0 | 0 | 112.4 | D85 R86 N87 Y91 K92 A93 | D85-Q89 WeakPolarHBondContact O-CG 3.49Å; D85-Q89 PolarHBondContact O-N 3.08Å; R86-Q89 PolarHBondContact O-N 3.42Å; R86-Q89 VanDerWaalsContact O-N 3.15Å; N87-Q89 VanDerWaalsContact C-N 3.28Å; N87-Q89 PolarHBondContact O-N 3.01Å; Q89-Y91 PolarHBondContact O-N 2.87Å; Q89-K92 PolarHBondContact O-N 2.9Å; Q89-A93 WeakPolarHBondContact O-CB 3.17Å; Q89-A93 PolarHBondContact O-N 3.01Å |
| 90 | I | 98 | Very high | 98 | Very high | 80 Ų | 80 | 62 Ų | 62 | 41% | 0.41 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.3 | -49.3 | 175.3 | -70.1 | 168.9 | 0 | 0 | 0 | 110.5 | R86 N87 K92 A93 Q94 | R86-I90 HydrophobicContact CG-CD1 4.19Å; R86-I90 WeakPolarHBondContact O-CG1 3.5Å; R86-I90 PolarHBondContact O-N 2.89Å; N87-I90 WeakPolarHBondContact O-CB 3.38Å; N87-I90 PolarHBondContact O-N 2.69Å; N87-I90 VanDerWaalsContact O-N 3.14Å; I90-K92 PolarHBondContact O-N 3.05Å; I90-A93 PolarHBondContact O-N 3.36Å; I90-Q94 WeakPolarHBondContact O-CB 3.22Å; I90-Q94 PolarHBondContact O-N 3.15Å |
| 91 | Y | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.7 | -31.8 | 179.6 | -61.3 | -53.2 | 0 | 0 | 0 | 113.5 | Y31 Y33 F46 S48 F60 E69 N87 Q89 Q94 A95 | Y31-Y91 WeakPolarHBondContact CE1-OH 3.47Å; Y33-Y91 HydrophobicContact CE1-CD1 4.05Å; Y33-Y91 AromaticContact CE1-CE1 3.67Å; Y33-Y91 HydrophobicContact CE1-CE1 3.67Å; Y33-Y91 AromaticContact CZ-CE1 3.87Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.4Å; F46-Y91 HydrophobicContact CE1-CD1 4.08Å; F46-Y91 HydrophobicContact CE1-CG 4.26Å; F46-Y91 HydrophobicContact CZ-CD1 4.15Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.5Å; F60-Y91 HydrophobicContact CB-CD2 3.77Å; F60-Y91 HydrophobicContact CB-CE2 4.35Å; F60-Y91 HydrophobicContact CB-CG 4.05Å; F60-Y91 AromaticContact CD2-CD2 3.99Å; F60-Y91 HydrophobicContact CD2-CD2 3.99Å; F60-Y91 HydrophobicContact CD2-CG 4.29Å; F60-Y91 AromaticContact CG-CD2 3.99Å; F60-Y91 HydrophobicContact CG-CD2 3.99Å; F60-Y91 HydrophobicContact CG-CG 4.05Å; E69-Y91 HydrophobicContact CB-CD2 4.25Å; E69-Y91 HydrophobicContact CB-CE2 4.06Å; E69-Y91 VanDerWaalsContact CD-CE2 3.48Å; E69-Y91 HydrophobicContact CG-CD2 4.46Å; E69-Y91 HydrophobicContact CG-CE2 3.81Å; E69-Y91 WeakPolarHBondContact OE1-CE2 3.23Å; E69-Y91 PolarHBondContact OE1-OH 3.18Å; N87-Y91 HydrophobicContact CB-CE2 4.1Å; N87-Y91 WeakPolarHBondContact O-CD2 3.25Å; N87-Y91 PolarHBondContact O-N 3.02Å; Q89-Y91 PolarHBondContact O-N 2.87Å; Y91-Q94 PolarHBondContact O-N 2.74Å; Y91-A95 WeakPolarHBondContact O-CB 3.39Å; Y91-A95 PolarHBondContact O-N 3.01Å |
| 92 | K | 98.4 | Very high | 98.1 | Very high | 81 Ų | 81 | 58.8 Ų | 58.8 | 35% | 0.352 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 171.8 | -76.9 | 176.5 | 179.5 | 174.2 | 0 | 111.9 | F60 P67 T88 Q89 I90 Q96 | F60-K92 HydrophobicContact CE2-CG 4.26Å; F60-K92 HydrophobicContact CZ-CG 4Å; P67-K92 WeakPolarHBondContact O-CE 3.04Å; P67-K92 PolarHBondContact O-NZ 2.77Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.37Å; T88-K92 PolarHBondContact O-N 3.37Å; T88-K92 VanDerWaalsContact O-N 3.08Å; Q89-K92 PolarHBondContact O-N 2.9Å; I90-K92 PolarHBondContact O-N 3.05Å; K92-Q96 PolarHBondContact O-N 2.65Å |
| 93 | A | 98.3 | Very high | 98 | Very high | 57 Ų | 57 | 58 Ų | 58 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q89 I90 A95 Q96 T97 | Q89-A93 WeakPolarHBondContact O-CB 3.17Å; Q89-A93 PolarHBondContact O-N 3.01Å; I90-A93 PolarHBondContact O-N 3.36Å; A93-A95 VanDerWaalsContact C-N 3.31Å; A93-A95 PolarHBondContact O-N 3.45Å; A93-Q96 WeakPolarHBondContact O-CB 3.27Å; A93-Q96 PolarHBondContact O-N 3.3Å; A93-T97 PolarHBondContact O-N 2.86Å; A93-T97 PolarHBondContact O-OG1 2.92Å |
| 94 | Q | 98.1 | Very high | 97.9 | Very high | 36 Ų | 36 | 61.6 Ų | 61.6 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.8 | -40.9 | 176.9 | -172.7 | 64 | 52 | 0 | 0 | 112.2 | Y33 F46 I90 Y91 Q96 T97 D98 | Y33-Q94 HydrophobicContact CD2-CG 3.82Å; Y33-Q94 HydrophobicContact CE2-CG 3.63Å; F46-Q94 HydrophobicContact CE2-CB 4.17Å; F46-Q94 HydrophobicContact CE2-CG 3.58Å; F46-Q94 HydrophobicContact CZ-CB 4.14Å; F46-Q94 HydrophobicContact CZ-CG 3.89Å; I90-Q94 WeakPolarHBondContact O-CB 3.22Å; I90-Q94 PolarHBondContact O-N 3.15Å; Y91-Q94 PolarHBondContact O-N 2.74Å; Q94-Q96 PolarHBondContact O-N 2.78Å; Q94-T97 WeakPolarHBondContact O-CB 3.48Å; Q94-T97 PolarHBondContact O-N 3.18Å; Q94-T97 VanDerWaalsContact O-N 3.11Å; Q94-D98 PolarHBondContact NE2-OD1 2.91Å; Q94-D98 PolarHBondContact O-N 3.27Å |
| 95 | A | 98 | Very high | 97.9 | Very high | 17 Ų | 17 | 60.2 Ų | 60.2 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.1 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F46 Y91 A93 R99 | F46-A95 HydrophobicContact CB-CB 3.63Å; F46-A95 HydrophobicContact CD1-CB 4.17Å; F46-A95 HydrophobicContact CD2-CB 4.26Å; F46-A95 HydrophobicContact CG-CB 3.76Å; Y91-A95 WeakPolarHBondContact O-CB 3.39Å; Y91-A95 PolarHBondContact O-N 3.01Å; A93-A95 VanDerWaalsContact C-N 3.31Å; A93-A95 PolarHBondContact O-N 3.45Å; A95-R99 WeakPolarHBondContact O-CB 3.36Å; A95-R99 PolarHBondContact O-N 2.95Å; A95-R99 VanDerWaalsContact O-N 3.13Å |
| 96 | Q | 97.9 | Very high | 97.9 | Very high | 98 Ų | 98 | 58.3 Ų | 58.3 | 46% | 0.458 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.2 | -41.5 | 173.4 | -62.1 | -52.5 | -51.5 | 0 | 0 | 111.9 | K92 A93 Q94 D98 R99 E100 | K92-Q96 PolarHBondContact O-N 2.65Å; A93-Q96 WeakPolarHBondContact O-CB 3.27Å; A93-Q96 PolarHBondContact O-N 3.3Å; Q94-Q96 PolarHBondContact O-N 2.78Å; Q96-D98 VanDerWaalsContact C-N 3.31Å; Q96-D98 PolarHBondContact O-N 3.13Å; Q96-R99 WeakPolarHBondContact O-CB 3.14Å; Q96-R99 PolarHBondContact O-N 3.24Å; Q96-E100 PolarHBondContact O-N 2.99Å; Q96-E100 VanDerWaalsContact O-N 3.13Å |
| 97 | T | 97.7 | Very high | 97.8 | Very high | 72 Ų | 72 | 55 Ų | 55 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 174.2 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | A93 Q94 R99 E100 S101 | A93-T97 PolarHBondContact O-N 2.86Å; A93-T97 PolarHBondContact O-OG1 2.92Å; Q94-T97 WeakPolarHBondContact O-CB 3.48Å; Q94-T97 PolarHBondContact O-N 3.18Å; Q94-T97 VanDerWaalsContact O-N 3.11Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-E100 PolarHBondContact O-N 3.21Å; T97-S101 WeakPolarHBondContact O-CB 3.23Å; T97-S101 PolarHBondContact O-N 3.08Å; T97-S101 PolarHBondContact O-OG 3.33Å |
| 98 | D | 97.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.1 | -34.6 | 178.9 | -77.5 | 7.3 | 0 | 0 | 0 | 111.9 | S35 F46 Q94 Q96 E100 S101 L102 | S35-D98 WeakPolarHBondContact CB-OD2 3.35Å; S35-D98 WeakPolarHBondContact OG-CB 3.34Å; S35-D98 PolarHBondContact OG-OD2 3.05Å; F46-D98 WeakPolarHBondContact CD2-OD2 2.84Å; Q94-D98 PolarHBondContact NE2-OD1 2.91Å; Q94-D98 PolarHBondContact O-N 3.27Å; Q96-D98 VanDerWaalsContact C-N 3.31Å; Q96-D98 PolarHBondContact O-N 3.13Å; D98-E100 VanDerWaalsContact C-N 3.34Å; D98-E100 PolarHBondContact O-N 2.95Å; D98-S101 PolarHBondContact O-N 2.73Å; D98-L102 WeakPolarHBondContact O-CB 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.18Å; D98-L102 PolarHBondContact O-N 3.47Å |
| 99 | R | 97.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 172.7 | 175.7 | -167.9 | -176 | -163.8 | 2.3 | 111.7 | E43 P44 A95 Q96 T97 R103 | E43-R99 VanDerWaalsContact CD-NE 3.31Å; E43-R99 VanDerWaalsContact CD-NH2 3.32Å; E43-R99 IonicContact OE1-CZ 3.15Å; E43-R99 IonicContact OE1-NE 2.72Å; E43-R99 PolarHBondContact OE1-NE 3.33Å; E43-R99 IonicContact OE1-NH1 3.04Å; E43-R99 IonicContact OE1-NH2 3.28Å; E43-R99 PolarHBondContact OE1-NH2 2.9Å; E43-R99 VanDerWaalsContact OE2-CD 3.29Å; E43-R99 WeakPolarHBondContact OE2-CD 3.34Å; E43-R99 IonicContact OE2-CZ 3.9Å; E43-R99 IonicContact OE2-NE 3.35Å; E43-R99 PolarHBondContact OE2-NE 2.76Å; E43-R99 IonicContact OE2-NH2 3.45Å; E43-R99 PolarHBondContact OE2-NH2 3.25Å; P44-R99 HydrophobicContact CG-CB 4.25Å; P44-R99 HydrophobicContact CG-CG 4.19Å; A95-R99 WeakPolarHBondContact O-CB 3.36Å; A95-R99 PolarHBondContact O-N 2.95Å; A95-R99 VanDerWaalsContact O-N 3.13Å; Q96-R99 WeakPolarHBondContact O-CB 3.14Å; Q96-R99 PolarHBondContact O-N 3.24Å; T97-R99 VanDerWaalsContact C-N 3.35Å; R99-R103 VanDerWaalsContact NE-NH2 3.14Å; R99-R103 PolarHBondContact O-N 3.16Å |
| 100 | E | 97.4 | Very high | 97.7 | Very high | 118 Ų | 118 | 61.3 Ų | 61.3 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.8 | -41.1 | 175.1 | -68.1 | -177.9 | 179.7 | 0 | 0 | 111.5 | Q96 T97 D98 L102 R103 N104 | Q96-E100 PolarHBondContact O-N 2.99Å; Q96-E100 VanDerWaalsContact O-N 3.13Å; T97-E100 PolarHBondContact O-N 3.21Å; D98-E100 VanDerWaalsContact C-N 3.34Å; D98-E100 PolarHBondContact O-N 2.95Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.18Å; E100-R103 WeakPolarHBondContact O-CB 3.46Å; E100-R103 PolarHBondContact O-N 3.29Å; E100-R103 VanDerWaalsContact O-N 3.13Å; E100-N104 PolarHBondContact O-N 2.63Å; E100-N104 PolarHBondContact O-ND2 3.37Å |
| 101 | S | 97.9 | Very high | 97.7 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 177.5 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | T97 D98 R103 N104 L105 | T97-S101 WeakPolarHBondContact O-CB 3.23Å; T97-S101 PolarHBondContact O-N 3.08Å; T97-S101 PolarHBondContact O-OG 3.33Å; D98-S101 PolarHBondContact O-N 2.73Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.83Å; S101-N104 PolarHBondContact O-N 2.83Å; S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 VanDerWaalsContact O-CG 3.31Å; S101-L105 WeakPolarHBondContact O-CG 3.43Å; S101-L105 PolarHBondContact O-N 2.83Å |
| 102 | L | 98.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 175.2 | -80.9 | 163.5 | 0 | 0 | 0 | 111.9 | P44 D98 E100 R106 H117 I119 Y142 | P44-L102 HydrophobicContact CB-CD1 3.56Å; P44-L102 HydrophobicContact CG-CD1 3.63Å; D98-L102 WeakPolarHBondContact O-CB 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.18Å; D98-L102 PolarHBondContact O-N 3.47Å; E100-L102 VanDerWaalsContact C-N 3.34Å; E100-L102 PolarHBondContact O-N 3.18Å; L102-R106 WeakPolarHBondContact O-CB 3.24Å; L102-R106 PolarHBondContact O-N 3.06Å; L102-R106 VanDerWaalsContact O-N 3.16Å; L102-H117 HydrophobicContact CD2-CB 4.09Å; L102-I119 HydrophobicContact CB-CD1 4.41Å; L102-I119 HydrophobicContact CD2-CD1 3.98Å; L102-I119 HydrophobicContact CD2-CG1 3.76Å; L102-I119 HydrophobicContact CG-CD1 3.7Å; L102-I119 HydrophobicContact CG-CG1 4.04Å; L102-Y142 HydrophobicContact CD2-CE2 4.3Å |
| 103 | R | 96.3 | Very high | 97.2 | Very high | 129 Ų | 129 | 66.4 Ų | 66.4 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 175.7 | -68.2 | 173.6 | 179.8 | 158.9 | 0.4 | 111.7 | R99 E100 S101 G107 | R99-R103 VanDerWaalsContact NE-NH2 3.14Å; R99-R103 PolarHBondContact O-N 3.16Å; E100-R103 WeakPolarHBondContact O-CB 3.46Å; E100-R103 PolarHBondContact O-N 3.29Å; E100-R103 VanDerWaalsContact O-N 3.13Å; S101-R103 VanDerWaalsContact C-N 3.29Å; S101-R103 PolarHBondContact O-N 2.83Å; R103-G107 PolarHBondContact O-N 2.86Å |
| 104 | N | 97.3 | Very high | 97 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65 | -48 | 179.5 | -70.7 | -25.9 | 0 | 0 | 0 | 111.7 | E100 S101 R106 G107 Y108 | E100-N104 PolarHBondContact O-N 2.63Å; E100-N104 PolarHBondContact O-ND2 3.37Å; S101-N104 PolarHBondContact O-N 2.83Å; N104-R106 PolarHBondContact O-N 3.17Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.14Å; N104-G107 PolarHBondContact O-N 2.81Å; N104-G107 VanDerWaalsContact O-N 3.07Å; N104-Y108 WeakPolarHBondContact O-CD1 3.3Å; N104-Y108 PolarHBondContact O-N 2.8Å |
| 105 | L | 98.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 67.1 Ų | 67.1 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 179.4 | -69.9 | 171.5 | 0 | 0 | 0 | 111.2 | S101 G107 Y108 Y109 I119 Y142 Y147 | S101-L105 WeakPolarHBondContact O-CB 3.36Å; S101-L105 VanDerWaalsContact O-CG 3.31Å; S101-L105 WeakPolarHBondContact O-CG 3.43Å; S101-L105 PolarHBondContact O-N 2.83Å; L105-G107 PolarHBondContact O-N 3.03Å; L105-Y108 HydrophobicContact CD2-CD2 4.25Å; L105-Y108 PolarHBondContact O-N 3.49Å; L105-Y109 HydrophobicContact CD2-CE2 4.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 2.86Å; L105-I119 HydrophobicContact CD1-CD1 3.51Å; L105-I119 HydrophobicContact CD1-CG1 3.58Å; L105-Y142 HydrophobicContact CB-CD1 4.42Å; L105-Y142 HydrophobicContact CB-CD2 4.18Å; L105-Y142 HydrophobicContact CB-CE1 4.02Å; L105-Y142 HydrophobicContact CB-CE2 3.78Å; L105-Y142 HydrophobicContact CB-CG 4.48Å; L105-Y142 HydrophobicContact CD1-CD2 3.47Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.47Å; L105-Y142 HydrophobicContact CD1-CE2 3.78Å; L105-Y142 HydrophobicContact CD1-CG 3.94Å; L105-Y142 HydrophobicContact CG-CD2 4.39Å; L105-Y142 HydrophobicContact CG-CE2 4.42Å; L105-Y147 HydrophobicContact CD2-CD1 4.4Å; L105-Y147 HydrophobicContact CD2-CD2 4.27Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.56Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.32Å |
| 106 | R | 97.1 | Very high | 96.7 | Very high | 67 Ų | 67 | 69.8 Ų | 69.8 | 25% | 0.253 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -52.8 | -41.9 | 173.6 | -173.2 | -173.1 | 67.1 | 163.6 | 13 | 111.7 | L102 N104 N110 Q111 E113 | L102-R106 WeakPolarHBondContact O-CB 3.24Å; L102-R106 PolarHBondContact O-N 3.06Å; L102-R106 VanDerWaalsContact O-N 3.16Å; N104-R106 PolarHBondContact O-N 3.17Å; R106-N110 PolarHBondContact O-N 2.87Å; R106-N110 VanDerWaalsContact O-N 3.11Å; R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 WeakPolarHBondContact CG-O 3.49Å; R106-Q111 PolarHBondContact O-N 3.02Å; R106-E113 IonicContact CZ-OE1 3.95Å; R106-E113 VanDerWaalsContact CZ-OE1 3.28Å; R106-E113 VanDerWaalsContact NH1-CA 3.33Å; R106-E113 VanDerWaalsContact NH1-CB 3.31Å; R106-E113 IonicContact NH1-OE1 3.35Å; R106-E113 PolarHBondContact NH1-OE1 2.87Å; R106-E113 IonicContact NH2-OE1 3.6Å; R106-E113 PolarHBondContact NH2-OE1 2.84Å |
| 107 | G | 97.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 65.8 Ų | 65.8 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R103 N104 L105 Y109 N110 | R103-G107 PolarHBondContact O-N 2.86Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.14Å; N104-G107 PolarHBondContact O-N 2.81Å; N104-G107 VanDerWaalsContact O-N 3.07Å; L105-G107 PolarHBondContact O-N 3.03Å; G107-Y109 PolarHBondContact O-N 2.9Å; G107-N110 PolarHBondContact O-N 3.02Å; G107-N110 VanDerWaalsContact O-N 3.12Å; G107-N110 PolarHBondContact O-OD1 3.44Å |
| 108 | Y | 98 | Very high | 96.8 | Very high | 58 Ų | 58 | 65.2 Ų | 65.2 | 23% | 0.227 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.2 | -35.7 | 178.7 | -64.9 | -10.3 | 0 | 0 | 0 | 112.7 | N104 L105 I166 K170 | N104-Y108 WeakPolarHBondContact O-CD1 3.3Å; N104-Y108 PolarHBondContact O-N 2.8Å; L105-Y108 HydrophobicContact CD2-CD2 4.25Å; L105-Y108 PolarHBondContact O-N 3.49Å; Y108-I166 HydrophobicContact CD1-CD1 4.18Å; Y108-I166 HydrophobicContact CE1-CD1 4.48Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.23Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; Y108-K170 PolarHBondContact OH-NZ 2.84Å |
| 109 | Y | 98 | Very high | 96.9 | Very high | 65 Ų | 65 | 65.3 Ų | 65.3 | 26% | 0.255 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 3.5 | 178.6 | -68.3 | -74.1 | 0 | 0 | 0 | 114.2 | L105 G107 Q111 Y142 Y147 D161 A163 | L105-Y109 HydrophobicContact CD2-CE2 4.25Å; L105-Y109 WeakPolarHBondContact O-CD2 3.41Å; L105-Y109 PolarHBondContact O-N 2.86Å; G107-Y109 PolarHBondContact O-N 2.9Å; Y109-Q111 PolarHBondContact O-N 2.92Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.42Å; Y109-Y142 HydrophobicContact CE2-CD1 3.42Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.42Å; Y109-Y142 AromaticContact CE2-CE1 3.74Å; Y109-Y142 HydrophobicContact CE2-CE1 3.74Å; Y109-Y142 HydrophobicContact CE2-CG 4.4Å; Y109-Y142 HydrophobicContact CG-CE1 4.33Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.15Å; Y109-Y147 VanDerWaalsContact OH-CE2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.27Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.31Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 PolarHBondContact OH-OD1 3.27Å; Y109-D161 PolarHBondContact OH-OD2 3.35Å; Y109-A163 HydrophobicContact CD1-CB 4.14Å; Y109-A163 HydrophobicContact CD2-CB 4.48Å; Y109-A163 HydrophobicContact CE1-CB 3.58Å; Y109-A163 HydrophobicContact CE2-CB 3.96Å; Y109-A163 VanDerWaalsContact CZ-CB 3.49Å |
| 110 | N | 97.1 | Very high | 96.9 | Very high | 152 Ų | 152 | 66.2 Ų | 66.2 | 81% | 0.813 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 39.3 | -177 | -58 | -60.3 | 0 | 0 | 0 | 113.5 | R106 G107 | R106-N110 PolarHBondContact O-N 2.87Å; R106-N110 VanDerWaalsContact O-N 3.11Å; G107-N110 PolarHBondContact O-N 3.02Å; G107-N110 VanDerWaalsContact O-N 3.12Å; G107-N110 PolarHBondContact O-OD1 3.44Å |
| 111 | Q | 97.4 | Very high | 97 | Very high | 58 Ų | 58 | 60.9 Ų | 60.9 | 27% | 0.271 | 34% | 0.335 | S | S | . | . | trans | -86.2 | 153.2 | -177.1 | -70.8 | 166.6 | -33.9 | 0 | 0 | 112 | R106 Y109 H117 Y142 D143 | R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 WeakPolarHBondContact CG-O 3.49Å; R106-Q111 PolarHBondContact O-N 3.02Å; Y109-Q111 PolarHBondContact O-N 2.92Å; Q111-H117 PolarHBondContact NE2-CE1 2.89Å; Q111-H117 PolarHBondContact OE1-CE1 2.78Å; Q111-H117 PolarHBondContact OE1-ND1 2.89Å; Q111-Y142 PolarHBondContact OE1-OH 2.84Å; Q111-D143 PolarHBondContact NE2-OD2 2.93Å | ||
| 112 | S | 95.4 | Very high | 97 | Very high | 78 Ų | 78 | 60.1 Ų | 60.1 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | trans | -70.8 | 154.6 | -177.9 | 77.9 | 0 | 0 | 0 | 0 | 113.1 | A114 G115 | S112-A114 PolarHBondContact O-N 2.92Å; S112-G115 PolarHBondContact O-N 3.12Å; S112-G115 PolarHBondContact OG-N 3.21Å | ||
| 113 | E | 91.6 | Very high | 97.1 | Very high | 137 Ų | 137 | 61.4 Ų | 61.4 | 64% | 0.64 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -20.6 | 177 | -51.8 | -147.7 | 117.8 | 0 | 0 | 114.6 | P39 R106 G115 | P39-E113 WeakPolarHBondContact CB-O 3.14Å; P39-E113 WeakPolarHBondContact CG-O 3.45Å; R106-E113 IonicContact CZ-OE1 3.95Å; R106-E113 VanDerWaalsContact CZ-OE1 3.28Å; R106-E113 VanDerWaalsContact NH1-CA 3.33Å; R106-E113 VanDerWaalsContact NH1-CB 3.31Å; R106-E113 IonicContact NH1-OE1 3.35Å; R106-E113 PolarHBondContact NH1-OE1 2.87Å; R106-E113 IonicContact NH2-OE1 3.6Å; R106-E113 PolarHBondContact NH2-OE1 2.84Å; E113-G115 VanDerWaalsContact C-N 3.3Å |
| 114 | A | 92.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 55.2 Ų | 55.2 | 72% | 0.719 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | S112 | S112-A114 PolarHBondContact O-N 2.92Š|
| 115 | G | 94.2 | Very high | 97.3 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 22% | 0.216 | 29% | 0.287 | C | S | . | . | trans | -75.6 | 135.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P39 S112 E113 H117 | P39-G115 WeakPolarHBondContact CG-O 3.46Å; S112-G115 PolarHBondContact O-N 3.12Å; S112-G115 PolarHBondContact OG-N 3.21Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 3.42Å; G115-H117 VanDerWaalsContact O-CD2 3.23Å | ||
| 116 | S | 97.4 | Very high | 97.3 | Very high | 72 Ų | 72 | 52.1 Ų | 52.1 | 50% | 0.503 | 29% | 0.292 | S | S | . | . | trans | -85.6 | 135.8 | 165.1 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | S37 | S37-S116 WeakPolarHBondContact O-CB 3.18Å; S37-S116 PolarHBondContact O-OG 3.36Å | ||
| 117 | H | 98.4 | Very high | 97.3 | Very high | 15 Ų | 15 | 49 Ų | 49 | 7% | 0.069 | 28% | 0.28 | C | S | . | . | trans | -134.6 | 153.5 | -173.7 | -63.6 | -73.2 | 0 | 0 | 0 | 110.5 | V36 S37 L102 Q111 G115 Y142 D143 | V36-H117 WeakPolarHBondContact CA-O 3.3Å; S37-H117 PolarHBondContact N-O 2.64Å; S37-H117 PolarHBondContact OG-N 2.85Å; S37-H117 PolarHBondContact OG-O 2.84Å; L102-H117 HydrophobicContact CD2-CB 4.09Å; Q111-H117 PolarHBondContact NE2-CE1 2.89Å; Q111-H117 PolarHBondContact OE1-CE1 2.78Å; Q111-H117 PolarHBondContact OE1-ND1 2.89Å; G115-H117 PolarHBondContact O-CD2 3.42Å; G115-H117 VanDerWaalsContact O-CD2 3.23Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.25Å; H117-Y142 VanDerWaalsContact CG-OH 3.25Å; H117-Y142 AromaticContact ND1-CZ 3.97Å; H117-Y142 PolarHBondContact ND1-OH 2.6Å; H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.5Å; H117-D143 IonicContact CE1-OD2 3.13Å; H117-D143 IonicContact CG-OD1 2.81Å; H117-D143 IonicContact CG-OD2 3.48Å; H117-D143 IonicContact ND1-OD1 3.67Å; H117-D143 IonicContact ND1-OD2 2.64Å; H117-D143 PolarHBondContact ND1-OD2 2.87Å | ||
| 118 | I | 98.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 30% | 0.303 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.9 | -175 | -52.2 | -177.4 | 0 | 0 | 0 | 109.9 | T34 S35 V36 Q120 Y142 D143 | T34-I118 HydrophobicContact CG2-CG2 4Å; S35-I118 CarbonylContact O-C 3.48Å; S35-I118 VanDerWaalsContact O-CA 3.3Å; S35-I118 WeakPolarHBondContact O-CA 3.44Å; V36-I118 HydrophobicContact CG1-CG1 4.18Å; V36-I118 HydrophobicContact CG2-CD1 4.3Å; V36-I118 HydrophobicContact CG2-CG1 4.09Å; V36-I118 HydrophobicContact CG2-CG2 4.23Å; I118-Q120 HydrophobicContact CG2-CG 3.84Å; I118-Y142 CarbonylContact O-C 3.59Å; I118-Y142 WeakPolarHBondContact O-CA 3.49Å; I118-Y142 VanDerWaalsContact O-CD2 3.25Å; I118-Y142 WeakPolarHBondContact O-CD2 3.31Å; I118-D143 PolarHBondContact N-OD1 2.85Å; I118-D143 PolarHBondContact O-N 3.27Å |
| 119 | I | 98.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.1 | 161.2 | -63.3 | 173.5 | 0 | 0 | 0 | 107.9 | T34 S35 L102 L105 V121 A141 Y142 | T34-I119 WeakPolarHBondContact CA-O 3.48Å; S35-I119 PolarHBondContact N-O 2.91Å; S35-I119 PolarHBondContact O-N 3.28Å; L102-I119 HydrophobicContact CB-CD1 4.41Å; L102-I119 HydrophobicContact CD2-CD1 3.98Å; L102-I119 HydrophobicContact CD2-CG1 3.76Å; L102-I119 HydrophobicContact CG-CD1 3.7Å; L102-I119 HydrophobicContact CG-CG1 4.04Å; L105-I119 HydrophobicContact CD1-CD1 3.51Å; L105-I119 HydrophobicContact CD1-CG1 3.58Å; I119-V121 HydrophobicContact CG2-CG2 4.16Å; I119-A141 WeakPolarHBondContact CA-O 3.36Å; I119-Y142 HydrophobicContact CG1-CD2 3.95Å; I119-Y142 HydrophobicContact CG1-CE2 4.33Å |
| 120 | Q | 98.8 | Very high | 96.6 | Very high | 82 Ų | 82 | 50.7 Ų | 50.7 | 38% | 0.383 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.9 | 169.9 | -59.2 | 174.5 | -92.4 | 0 | 0 | 109.2 | Y33 T34 I118 Y140 A141 | Y33-Q120 VanDerWaalsContact O-CA 3.31Å; Y33-Q120 WeakPolarHBondContact O-CA 3.39Å; T34-Q120 HydrophobicContact CG2-CG 4.44Å; I118-Q120 HydrophobicContact CG2-CG 3.84Å; Q120-Y140 CarbonylContact O-C 3.53Å; Q120-Y140 WeakPolarHBondContact O-CA 2.97Å; Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 2.76Å; Q120-A141 PolarHBondContact O-N 2.9Å |
| 121 | V | 98.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.1 | 176 | -168.2 | 0 | 0 | 0 | 0 | 108.5 | F32 Y33 I119 Y123 Q139 Y140 | F32-V121 CarbonylContact C-O 3.5Å; F32-V121 VanDerWaalsContact CA-O 3.31Å; F32-V121 WeakPolarHBondContact CA-O 3.44Å; Y33-V121 HydrophobicContact CD2-CB 4.13Å; Y33-V121 HydrophobicContact CD2-CG2 4.35Å; Y33-V121 HydrophobicContact CG-CB 4.35Å; Y33-V121 PolarHBondContact N-O 2.93Å; Y33-V121 PolarHBondContact O-N 3.03Å; I119-V121 HydrophobicContact CG2-CG2 4.16Å; V121-Y123 HydrophobicContact CG1-CD1 4.25Å; V121-Q139 CarbonylContact C-O 3.57Å; V121-Q139 VanDerWaalsContact CA-O 3.3Å; V121-Q139 WeakPolarHBondContact CA-O 3.1Å; V121-Y140 HydrophobicContact CB-CD1 4.4Å; V121-Y140 HydrophobicContact CB-CE1 4.32Å; V121-Y140 HydrophobicContact CG1-CD1 4.16Å; V121-Y140 HydrophobicContact CG1-CD2 4.45Å; V121-Y140 HydrophobicContact CG1-CE1 3.83Å; V121-Y140 HydrophobicContact CG1-CE2 4.14Å; V121-Y140 HydrophobicContact CG1-CG 4.45Å; V121-Y140 HydrophobicContact CG2-CD1 3.56Å; V121-Y140 HydrophobicContact CG2-CE1 3.5Å; V121-Y140 VanDerWaalsContact CG2-CE1 3.5Å; V121-Y140 HydrophobicContact CG2-CG 4.42Å |
| 122 | M | 98.7 | Very high | 96.2 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 122.2 | 167.8 | -176.6 | -78.3 | -61.9 | 0 | 0 | 108.4 | R30 Y31 F32 H137 D138 Q139 | R30-M122 PolarHBondContact NH1-SD 3.25Å; R30-M122 VanDerWaalsContact NH1-SD 3.41Å; Y31-M122 WeakPolarHBondContact O-CA 3.39Å; F32-M122 HydrophobicContact CD1-CB 4.01Å; F32-M122 HydrophobicContact CD1-CG 3.75Å; F32-M122 HydrophobicContact CE1-CB 4.08Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CZ-CG 4.01Å; M122-H137 HydrophobicContact CE-CB 3.87Å; M122-H137 HydrophobicContact SD-CB 3.86Å; M122-D138 WeakPolarHBondContact O-CA 3.44Å; M122-Q139 HydrophobicContact CE-CB 4.28Å; M122-Q139 VanDerWaalsContact CE-CD 3.5Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 PolarHBondContact N-O 2.84Å; M122-Q139 PolarHBondContact O-N 2.86Å |
| 123 | Y | 98.8 | Very high | 96.4 | Very high | 34 Ų | 34 | 48.1 Ų | 48.1 | 13% | 0.133 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 158.5 | 174.1 | 72.8 | -85.1 | 0 | 0 | 0 | 110.9 | R30 Y31 Y33 V121 H137 Y183 | R30-Y123 WeakPolarHBondContact CA-O 3.48Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 VanDerWaalsContact CB-CZ 3.41Å; Y31-Y123 WeakPolarHBondContact CB-OH 3.37Å; Y31-Y123 HydrophobicContact CD2-CD2 4.45Å; Y31-Y123 AromaticContact CD2-CE2 3.64Å; Y31-Y123 HydrophobicContact CD2-CE2 3.64Å; Y31-Y123 AromaticContact CD2-CZ 3.7Å; Y31-Y123 HydrophobicContact CE2-CE2 4.42Å; Y31-Y123 HydrophobicContact CG-CE1 4.25Å; Y31-Y123 HydrophobicContact CG-CE2 4.12Å; Y31-Y123 AromaticContact CG-CZ 3.68Å; Y31-Y123 PolarHBondContact N-O 2.92Å; Y31-Y123 PolarHBondContact O-N 3.32Å; Y31-Y123 VanDerWaalsContact O-N 3.16Å; Y33-Y123 HydrophobicContact CD1-CE1 4.42Å; Y33-Y123 HydrophobicContact CD2-CE1 4.26Å; Y33-Y123 AromaticContact CE1-CE1 3.77Å; Y33-Y123 HydrophobicContact CE1-CE1 3.77Å; Y33-Y123 HydrophobicContact CE2-CD1 4.44Å; Y33-Y123 AromaticContact CE2-CE1 3.61Å; Y33-Y123 HydrophobicContact CE2-CE1 3.61Å; Y33-Y123 AromaticContact CZ-CE1 3.38Å; Y33-Y123 AromaticContact CZ-CZ 3.84Å; Y33-Y123 PolarHBondContact OH-OH 3.47Å; V121-Y123 HydrophobicContact CG1-CD1 4.25Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.39Å; Y123-H137 VanDerWaalsContact CB-O 3.27Å; Y123-H137 WeakPolarHBondContact CB-O 3.16Å; Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.79Å; Y123-Y183 HydrophobicContact CE2-CE1 3.79Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å |
| 124 | G | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.9 | -173.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | M29 H137 L184 | M29-G124 CarbonylContact O-C 3.59Å; M29-G124 WeakPolarHBondContact O-CA 3.47Å; G124-H137 PolarHBondContact N-O 3.3Å; G124-H137 PolarHBondContact O-N 3.09Å; G124-L184 WeakPolarHBondContact O-CD2 3.31Å |
| 125 | C | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.7 | -173.9 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | S28 M29 L133 R135 C188 | S28-C125 WeakPolarHBondContact CA-O 3.37Å; M29-C125 PolarHBondContact N-O 2.91Å; M29-C125 PolarHBondContact O-N 3.1Å; C125-L133 HydrophobicContact CB-CD1 3.53Å; C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.48Å; C125-C188 HydrophobicContact CB-CB 3.94Å; C125-C188 WeakPolarHBondContact CB-SG 3.2Å; C125-C188 PolarHBondContact N-SG 2.89Å; C125-C188 WeakPolarHBondContact SG-CB 3.28Å; C125-C188 PolarHBondContact SG-O 3.44Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.98Å |
| 126 | D | 98.4 | Very high | 97.1 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.5 | 167.6 | -49.7 | -32.7 | 0 | 0 | 0 | 107.9 | H27 S28 R30 L134 R135 H137 | H27-D126 CarbonylContact O-C 3.57Å; H27-D126 WeakPolarHBondContact O-CA 3.43Å; S28-D126 VanDerWaalsContact CB-OD1 3.31Å; S28-D126 WeakPolarHBondContact CB-OD1 3.27Å; R30-D126 IonicContact CZ-OD1 3.65Å; R30-D126 IonicContact NE-OD1 3.3Å; R30-D126 PolarHBondContact NE-OD1 3.14Å; R30-D126 IonicContact NH2-OD1 2.84Å; R30-D126 PolarHBondContact NH2-OD1 3.09Å; R30-D126 IonicContact NH2-OD2 3.87Å; R30-D126 PolarHBondContact NH2-OD2 2.83Å; D126-L134 PolarHBondContact O-N 3.04Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 2.65Å; D126-R135 PolarHBondContact O-N 3.48Å; D126-H137 IonicContact OD1-NE2 3.62Å; D126-H137 IonicContact OD2-CD2 3.73Å; D126-H137 IonicContact OD2-CE1 3.98Å; D126-H137 IonicContact OD2-NE2 2.69Å; D126-H137 PolarHBondContact OD2-NE2 3.44Å |
| 127 | V | 97.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 146.4 | 178.7 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | S26 H27 R132 V189 L192 | S26-V127 CarbonylContact C-O 3.57Å; S26-V127 WeakPolarHBondContact CA-O 3.34Å; S26-V127 WeakPolarHBondContact CB-O 3.11Å; H27-V127 HydrophobicContact CB-CG2 3.92Å; H27-V127 PolarHBondContact N-O 2.84Å; H27-V127 PolarHBondContact O-N 3.35Å; V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.47Å; V127-V189 HydrophobicContact CG1-CB 4.39Å; V127-V189 HydrophobicContact CG1-CG1 4Å; V127-V189 HydrophobicContact CG1-CG2 3.97Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.92Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.25Å |
| 128 | G | 95.3 | Very high | 97.2 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | trans | -80.6 | 176.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D130 G131 R132 | G128-D130 PolarHBondContact O-N 3.08Å; G128-D130 VanDerWaalsContact O-N 3.17Å; G128-G131 VanDerWaalsContact O-CA 3.31Å; G128-G131 WeakPolarHBondContact O-CA 3.45Å; G128-G131 PolarHBondContact O-N 3.28Å; G128-R132 PolarHBondContact N-O 3.38Å | ||
| 129 | P | 91.4 | Very high | 97.2 | Very high | 91 Ų | 91 | 43.6 Ų | 43.6 | 59% | 0.591 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.1 | 172.9 | -29 | 38.2 | 0 | 0 | 0 | 114.1 | A24 G131 | A24-P129 WeakPolarHBondContact O-CB 3.47Å; A24-P129 WeakPolarHBondContact O-CG 3.32Å; P129-G131 PolarHBondContact O-N 3.01Å |
| 130 | D | 91.2 | Very high | 97.2 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 57% | 0.567 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | 4.7 | 175.1 | 67.1 | -8.2 | 0 | 0 | 0 | 113.1 | G128 R132 | G128-D130 PolarHBondContact O-N 3.08Å; G128-D130 VanDerWaalsContact O-N 3.17Å; D130-R132 HydrophobicContact CB-CG 4.42Å; D130-R132 PolarHBondContact O-N 3.03Å; D130-R132 WeakPolarHBondContact OD1-CB 3.41Å; D130-R132 PolarHBondContact OD1-N 3.47Å; D130-R132 WeakPolarHBondContact OD2-CD 3.46Å; D130-R132 WeakPolarHBondContact OD2-CG 3.03Å |
| 131 | G | 91.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 70.4 | 2.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G128 P129 V189 R193 | G128-G131 VanDerWaalsContact O-CA 3.31Å; G128-G131 WeakPolarHBondContact O-CA 3.45Å; G128-G131 PolarHBondContact O-N 3.28Å; P129-G131 PolarHBondContact O-N 3.01Å; G131-V189 WeakPolarHBondContact O-CG1 3.29Å; G131-R193 VanDerWaalsContact O-CZ 3.24Å; G131-R193 PolarHBondContact O-NE 3.31Å; G131-R193 PolarHBondContact O-NH2 3.15Å |
| 132 | R | 95.8 | Very high | 97.2 | Very high | 171 Ų | 171 | 42 Ų | 42 | 65% | 0.645 | 21% | 0.209 | S | C | * | . | trans | -81 | 151.4 | -177.9 | -59.9 | -178.7 | 79.9 | 134 | 0.5 | 110.5 | V127 G128 D130 L134 | V127-R132 CarbonylContact C-O 3.59Å; V127-R132 WeakPolarHBondContact CA-O 3.47Å; G128-R132 PolarHBondContact N-O 3.38Å; D130-R132 HydrophobicContact CB-CG 4.42Å; D130-R132 PolarHBondContact O-N 3.03Å; D130-R132 WeakPolarHBondContact OD1-CB 3.41Å; D130-R132 PolarHBondContact OD1-N 3.47Å; D130-R132 WeakPolarHBondContact OD2-CD 3.46Å; D130-R132 WeakPolarHBondContact OD2-CG 3.03Å; R132-L134 PolarHBondContact O-N 3.43Å | ||
| 133 | L | 98 | Very high | 97.2 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 124.1 | 173.9 | -175.3 | 69.9 | 0 | 0 | 0 | 110.2 | C125 R135 L154 E185 V189 | C125-L133 HydrophobicContact CB-CD1 3.53Å; L133-R135 WeakPolarHBondContact CD1-O 3.34Å; L133-L154 HydrophobicContact CD2-CD1 4.06Å; L133-E185 HydrophobicContact CD2-CB 4.48Å; L133-E185 HydrophobicContact CD2-CG 3.75Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 4Å |
| 134 | L | 97.6 | Very high | 97.1 | Very high | 109 Ų | 109 | 45 Ų | 45 | 57% | 0.571 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -44.3 | 168.1 | -67.5 | 177.9 | 0 | 0 | 0 | 110.8 | D126 R132 | D126-L134 PolarHBondContact O-N 3.04Å; R132-L134 PolarHBondContact O-N 3.43Å |
| 135 | R | 97.9 | Very high | 97.1 | Very high | 90 Ų | 90 | 52.7 Ų | 52.7 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 134.1 | -176.2 | -173.7 | 174.7 | -177.7 | 118.6 | 9.2 | 111.5 | C125 D126 L133 H137 E152 | C125-R135 CarbonylContact C-O 3.52Å; C125-R135 WeakPolarHBondContact CA-O 3.48Å; D126-R135 HydrophobicContact CB-CB 4.33Å; D126-R135 PolarHBondContact N-O 2.65Å; D126-R135 PolarHBondContact O-N 3.48Å; L133-R135 WeakPolarHBondContact CD1-O 3.34Å; R135-H137 WeakPolarHBondContact CD-CE1 3.49Å; R135-H137 PolarHBondContact NE-CE1 2.86Å; R135-E152 IonicContact CZ-OE1 3.22Å; R135-E152 IonicContact NH1-OE1 2.84Å; R135-E152 PolarHBondContact NH1-OE1 2.78Å; R135-E152 IonicContact NH1-OE2 2.93Å; R135-E152 VanDerWaalsContact NH2-CG 3.27Å; R135-E152 IonicContact NH2-OE1 2.76Å; R135-E152 PolarHBondContact NH2-OE1 3.26Å |
| 136 | G | 98.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 59.1 Ų | 59.1 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 149.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 137 | H | 98.6 | Very high | 97.1 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 6% | 0.06 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.1 | 179.2 | -55.8 | -95.1 | 0 | 0 | 0 | 109.7 | R30 M122 Y123 G124 D126 R135 | R30-H137 PolarHBondContact NH2-CE1 2.87Å; R30-H137 PolarHBondContact NH2-NE2 3.16Å; M122-H137 HydrophobicContact CE-CB 3.87Å; M122-H137 HydrophobicContact SD-CB 3.86Å; Y123-H137 CarbonylContact C-O 3.59Å; Y123-H137 WeakPolarHBondContact CA-O 3.39Å; Y123-H137 VanDerWaalsContact CB-O 3.27Å; Y123-H137 WeakPolarHBondContact CB-O 3.16Å; G124-H137 PolarHBondContact N-O 3.3Å; G124-H137 PolarHBondContact O-N 3.09Å; D126-H137 IonicContact OD1-NE2 3.62Å; D126-H137 IonicContact OD2-CD2 3.73Å; D126-H137 IonicContact OD2-CE1 3.98Å; D126-H137 IonicContact OD2-NE2 2.69Å; D126-H137 PolarHBondContact OD2-NE2 3.44Å; R135-H137 WeakPolarHBondContact CD-CE1 3.49Å; R135-H137 PolarHBondContact NE-CE1 2.86Å |
| 138 | D | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.011 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 105.3 | 165.6 | -171.9 | 18.5 | 0 | 0 | 0 | 108.3 | M122 Y140 L150 R180 | M122-D138 WeakPolarHBondContact O-CA 3.44Å; D138-Y140 VanDerWaalsContact OD1-CE2 3.22Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.5Å; D138-L150 HydrophobicContact CB-CB 3.92Å; D138-L150 HydrophobicContact CB-CD2 4.15Å; D138-L150 PolarHBondContact O-N 3.4Å; D138-R180 WeakPolarHBondContact OD2-CD 3.33Å; D138-R180 WeakPolarHBondContact OD2-CG 3.33Å; D138-R180 IonicContact OD2-NE 2.63Å; D138-R180 PolarHBondContact OD2-NE 2.97Å |
| 139 | Q | 98.7 | Very high | 97.3 | Very high | 77 Ų | 77 | 59.3 Ų | 59.3 | 36% | 0.36 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 135.9 | -169.1 | -60.2 | -178.8 | -10.1 | 0 | 0 | 110.5 | V121 M122 A149 | V121-Q139 CarbonylContact C-O 3.57Å; V121-Q139 VanDerWaalsContact CA-O 3.3Å; V121-Q139 WeakPolarHBondContact CA-O 3.1Å; M122-Q139 HydrophobicContact CE-CB 4.28Å; M122-Q139 VanDerWaalsContact CE-CD 3.5Å; M122-Q139 HydrophobicContact CE-CG 4Å; M122-Q139 PolarHBondContact N-O 2.84Å; M122-Q139 PolarHBondContact O-N 2.86Å; Q139-A149 HydrophobicContact CB-CB 4.46Å; Q139-A149 HydrophobicContact CG-CB 3.94Å |
| 140 | Y | 98.8 | Very high | 97.7 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 13% | 0.129 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.3 | -179.1 | -67.3 | -104.8 | 0 | 0 | 0 | 110 | Q120 V121 D138 Y147 I148 W171 R180 | Q120-Y140 CarbonylContact O-C 3.53Å; Q120-Y140 WeakPolarHBondContact O-CA 2.97Å; V121-Y140 HydrophobicContact CB-CD1 4.4Å; V121-Y140 HydrophobicContact CB-CE1 4.32Å; V121-Y140 HydrophobicContact CG1-CD1 4.16Å; V121-Y140 HydrophobicContact CG1-CD2 4.45Å; V121-Y140 HydrophobicContact CG1-CE1 3.83Å; V121-Y140 HydrophobicContact CG1-CE2 4.14Å; V121-Y140 HydrophobicContact CG1-CG 4.45Å; V121-Y140 HydrophobicContact CG2-CD1 3.56Å; V121-Y140 HydrophobicContact CG2-CE1 3.5Å; V121-Y140 VanDerWaalsContact CG2-CE1 3.5Å; V121-Y140 HydrophobicContact CG2-CG 4.42Å; D138-Y140 VanDerWaalsContact OD1-CE2 3.22Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.5Å; Y140-Y147 WeakPolarHBondContact O-CA 3.48Å; Y140-Y147 WeakPolarHBondContact O-CB 3.38Å; Y140-Y147 PolarHBondContact O-N 2.86Å; Y140-I148 HydrophobicContact CD2-CG2 4.07Å; Y140-I148 HydrophobicContact CG-CG2 4.21Å; Y140-I148 PolarHBondContact N-O 2.81Å; Y140-I148 PolarHBondContact O-N 3.41Å; Y140-W171 HydrophobicContact CD1-CH2 4.44Å; Y140-W171 AromaticContact CD2-CH2 3.8Å; Y140-W171 HydrophobicContact CD2-CH2 3.8Å; Y140-W171 HydrophobicContact CD2-CZ3 4.13Å; Y140-W171 HydrophobicContact CE1-CH2 4.12Å; Y140-W171 AromaticContact CE2-CH2 3.43Å; Y140-W171 HydrophobicContact CE2-CH2 3.43Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.43Å; Y140-W171 AromaticContact CE2-CZ3 3.87Å; Y140-W171 HydrophobicContact CE2-CZ3 3.87Å; Y140-W171 HydrophobicContact CG-CH2 4.31Å; Y140-W171 AromaticContact CZ-CH2 3.62Å; Y140-R180 PolarHBondContact OH-NH2 2.85Å |
| 141 | A | 98.9 | Very high | 98.1 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 149.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I119 Q120 K145 | I119-A141 WeakPolarHBondContact CA-O 3.36Å; Q120-A141 HydrophobicContact CB-CB 4.31Å; Q120-A141 PolarHBondContact N-O 2.76Å; Q120-A141 PolarHBondContact O-N 2.9Å; A141-K145 CarbonylContact C-O 3.49Å; A141-K145 WeakPolarHBondContact CA-O 3.38Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.36Å |
| 142 | Y | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 58.4 Ų | 58.4 | 4% | 0.039 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 127.1 | 177 | -173.1 | -121.1 | 0 | 0 | 0 | 110.4 | L102 L105 Y109 Q111 H117 I118 I119 G144 K145 | L102-Y142 HydrophobicContact CD2-CE2 4.3Å; L105-Y142 HydrophobicContact CB-CD1 4.42Å; L105-Y142 HydrophobicContact CB-CD2 4.18Å; L105-Y142 HydrophobicContact CB-CE1 4.02Å; L105-Y142 HydrophobicContact CB-CE2 3.78Å; L105-Y142 HydrophobicContact CB-CG 4.48Å; L105-Y142 HydrophobicContact CD1-CD2 3.47Å; L105-Y142 VanDerWaalsContact CD1-CD2 3.47Å; L105-Y142 HydrophobicContact CD1-CE2 3.78Å; L105-Y142 HydrophobicContact CD1-CG 3.94Å; L105-Y142 HydrophobicContact CG-CD2 4.39Å; L105-Y142 HydrophobicContact CG-CE2 4.42Å; Y109-Y142 AromaticContact CD2-CD1 3.68Å; Y109-Y142 HydrophobicContact CD2-CD1 3.68Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.42Å; Y109-Y142 HydrophobicContact CE2-CD1 3.42Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.42Å; Y109-Y142 AromaticContact CE2-CE1 3.74Å; Y109-Y142 HydrophobicContact CE2-CE1 3.74Å; Y109-Y142 HydrophobicContact CE2-CG 4.4Å; Y109-Y142 HydrophobicContact CG-CE1 4.33Å; Q111-Y142 PolarHBondContact OE1-OH 2.84Å; H117-Y142 HydrophobicContact CB-CE2 3.84Å; H117-Y142 WeakPolarHBondContact CB-OH 3.25Å; H117-Y142 VanDerWaalsContact CG-OH 3.25Å; H117-Y142 AromaticContact ND1-CZ 3.97Å; H117-Y142 PolarHBondContact ND1-OH 2.6Å; I118-Y142 CarbonylContact O-C 3.59Å; I118-Y142 WeakPolarHBondContact O-CA 3.49Å; I118-Y142 VanDerWaalsContact O-CD2 3.25Å; I118-Y142 WeakPolarHBondContact O-CD2 3.31Å; I119-Y142 HydrophobicContact CG1-CD2 3.95Å; I119-Y142 HydrophobicContact CG1-CE2 4.33Å; Y142-G144 PolarHBondContact O-N 3.5Å; Y142-G144 VanDerWaalsContact O-N 3.17Å; Y142-K145 PolarHBondContact N-O 3.46Å; Y142-K145 PolarHBondContact O-N 2.93Å |
| 143 | D | 98.4 | Very high | 98.5 | Very high | 62 Ų | 62 | 54 Ų | 54 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 39.3 | -176 | -65.9 | -20.7 | 0 | 0 | 0 | 113.2 | Q111 H117 I118 K145 | Q111-D143 PolarHBondContact NE2-OD2 2.93Å; H117-D143 WeakPolarHBondContact CA-OD1 3.37Å; H117-D143 WeakPolarHBondContact CB-OD1 3.5Å; H117-D143 IonicContact CE1-OD2 3.13Å; H117-D143 IonicContact CG-OD1 2.81Å; H117-D143 IonicContact CG-OD2 3.48Å; H117-D143 IonicContact ND1-OD1 3.67Å; H117-D143 IonicContact ND1-OD2 2.64Å; H117-D143 PolarHBondContact ND1-OD2 2.87Å; I118-D143 PolarHBondContact N-OD1 2.85Å; I118-D143 PolarHBondContact O-N 3.27Å; D143-K145 VanDerWaalsContact C-N 3.34Å; D143-K145 PolarHBondContact O-N 3.3Å |
| 144 | G | 97.6 | Very high | 98.5 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 60% | 0.598 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 9.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y142 | Y142-G144 PolarHBondContact O-N 3.5Å; Y142-G144 VanDerWaalsContact O-N 3.17Å |
| 145 | K | 98.6 | Very high | 98.5 | Very high | 161 Ų | 161 | 54.6 Ų | 54.6 | 70% | 0.7 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.3 | 176 | -61.3 | -178.2 | -177.2 | 177.8 | 0 | 110.9 | A141 Y142 D143 Y147 | A141-K145 CarbonylContact C-O 3.49Å; A141-K145 WeakPolarHBondContact CA-O 3.38Å; A141-K145 VanDerWaalsContact CB-O 3.24Å; A141-K145 WeakPolarHBondContact CB-O 3.36Å; Y142-K145 PolarHBondContact N-O 3.46Å; Y142-K145 PolarHBondContact O-N 2.93Å; D143-K145 VanDerWaalsContact C-N 3.34Å; D143-K145 PolarHBondContact O-N 3.3Å; K145-Y147 PolarHBondContact O-N 3Å |
| 146 | D | 98.8 | Very high | 98.6 | Very high | 136 Ų | 136 | 52.2 Ų | 52.2 | 73% | 0.727 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 137.3 | 173.6 | -64.4 | -10.5 | 0 | 0 | 0 | 110.5 | A160 | D146-A160 HydrophobicContact CB-CB 4.26Å; D146-A160 WeakPolarHBondContact O-CB 3.34Å |
| 147 | Y | 98.8 | Very high | 98.6 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -65.3 | 179 | -178.4 | -112.6 | 0 | 0 | 0 | 110.5 | L105 Y109 Y140 K145 A160 A163 A164 T167 | L105-Y147 HydrophobicContact CD2-CD1 4.4Å; L105-Y147 HydrophobicContact CD2-CD2 4.27Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.56Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.32Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.07Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.15Å; Y109-Y147 VanDerWaalsContact OH-CE2 3.31Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.27Å; Y140-Y147 WeakPolarHBondContact O-CA 3.48Å; Y140-Y147 WeakPolarHBondContact O-CB 3.38Å; Y140-Y147 PolarHBondContact O-N 2.86Å; K145-Y147 PolarHBondContact O-N 3Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 3.31Å; Y147-A163 HydrophobicContact CE2-CB 4.46Å; Y147-A163 PolarHBondContact OH-O 3.24Å; Y147-A164 HydrophobicContact CD2-CB 3.74Å; Y147-A164 HydrophobicContact CE1-CB 4.49Å; Y147-A164 VanDerWaalsContact CE2-CA 3.43Å; Y147-A164 HydrophobicContact CE2-CB 3.63Å; Y147-A164 HydrophobicContact CG-CB 4.25Å; Y147-A164 WeakPolarHBondContact O-CB 3.13Å; Y147-T167 HydrophobicContact CE1-CG2 4.24Å; Y147-T167 PolarHBondContact OH-OG1 2.64Å |
| 148 | I | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 142.2 | 177.9 | -164.3 | 172.9 | 0 | 0 | 0 | 110.3 | Y140 W157 T158 T167 Q168 W171 | Y140-I148 HydrophobicContact CD2-CG2 4.07Å; Y140-I148 HydrophobicContact CG-CG2 4.21Å; Y140-I148 PolarHBondContact N-O 2.81Å; Y140-I148 PolarHBondContact O-N 3.41Å; I148-W157 HydrophobicContact CD1-CB 4.04Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CD1-CG 4.31Å; I148-W157 HydrophobicContact CG1-CB 4.16Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; I148-T158 WeakPolarHBondContact CA-O 3.42Å; I148-T158 WeakPolarHBondContact CG1-O 3.15Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; I148-T167 HydrophobicContact CG2-CG2 4.46Å; I148-Q168 HydrophobicContact CD1-CB 3.83Å; I148-W171 HydrophobicContact CD1-CE3 4.12Å; I148-W171 HydrophobicContact CD1-CZ3 4.35Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 4.05Å; I148-W171 HydrophobicContact CG2-CZ3 3.73Å |
| 149 | A | 98.9 | Very high | 98.6 | Very high | 26 Ų | 26 | 56.3 Ų | 56.3 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q139 W157 T158 | Q139-A149 HydrophobicContact CB-CB 4.46Å; Q139-A149 HydrophobicContact CG-CB 3.94Å; A149-W157 VanDerWaalsContact C-CE3 3.47Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 WeakPolarHBondContact O-CA 3.22Å; A149-T158 PolarHBondContact N-O 3.43Å; A149-T158 PolarHBondContact O-N 3.3Å |
| 150 | L | 98.9 | Very high | 98.6 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.7 | 169 | -174.5 | 65.9 | 0 | 0 | 0 | 108.8 | D138 L154 W157 A177 R180 L184 | D138-L150 HydrophobicContact CB-CB 3.92Å; D138-L150 HydrophobicContact CB-CD2 4.15Å; D138-L150 PolarHBondContact O-N 3.4Å; L150-L154 HydrophobicContact CD2-CB 4.5Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.31Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.87Å; L150-W157 HydrophobicContact CD1-CZ3 4.27Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 VanDerWaalsContact N-CE3 3.35Å; L150-A177 HydrophobicContact CD1-CB 3.94Å; L150-R180 HydrophobicContact CD2-CB 4.02Å; L150-L184 HydrophobicContact CD2-CD1 3.86Å |
| 151 | N | 98.8 | Very high | 98.6 | Very high | 43 Ų | 43 | 56.6 Ų | 56.6 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | trans | -74.5 | 163.3 | 179.5 | -66.7 | -29.8 | 0 | 0 | 0 | 111.2 | D153 L154 S156 T158 | N151-D153 PolarHBondContact O-N 3.17Å; N151-D153 VanDerWaalsContact O-N 3.09Å; N151-L154 WeakPolarHBondContact O-CA 3.37Å; N151-L154 PolarHBondContact O-N 3.36Å; N151-S156 WeakPolarHBondContact CB-O 3.21Å; N151-S156 WeakPolarHBondContact CB-OG 3.42Å; N151-S156 PolarHBondContact N-O 3.22Å; N151-S156 PolarHBondContact ND2-O 3.48Å; N151-S156 PolarHBondContact ND2-OG 3.23Å; N151-T158 PolarHBondContact ND2-OG1 2.82Å; N151-T158 WeakPolarHBondContact OD1-CB 3.49Å; N151-T158 PolarHBondContact OD1-OG1 2.76Å | ||
| 152 | E | 98.1 | Very high | 98.5 | Very high | 137 Ų | 137 | 61.1 Ų | 61.1 | 64% | 0.64 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.3 | -179.4 | -68.1 | 177.1 | -159.8 | 0 | 0 | 113.8 | R135 L154 | R135-E152 IonicContact CZ-OE1 3.22Å; R135-E152 IonicContact NH1-OE1 2.84Å; R135-E152 PolarHBondContact NH1-OE1 2.78Å; R135-E152 IonicContact NH1-OE2 2.93Å; R135-E152 VanDerWaalsContact NH2-CG 3.27Å; R135-E152 IonicContact NH2-OE1 2.76Å; R135-E152 PolarHBondContact NH2-OE1 3.26Å; E152-L154 PolarHBondContact O-N 3.38Å |
| 153 | D | 98.1 | Very high | 98.5 | Very high | 79 Ų | 79 | 60.9 Ų | 60.9 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -8.4 | 174.2 | 69.7 | 3.7 | 0 | 0 | 0 | 113.6 | N151 R155 S156 | N151-D153 PolarHBondContact O-N 3.17Å; N151-D153 VanDerWaalsContact O-N 3.09Å; D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.49Å; D153-R155 PolarHBondContact O-N 3.32Å; D153-R155 PolarHBondContact OD1-N 3.1Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 3.5Å; D153-S156 PolarHBondContact OD1-OG 3.27Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.44Å; D153-S156 PolarHBondContact OD2-OG 3.49Å |
| 154 | L | 98.4 | Very high | 98.5 | Very high | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 52.9 | 28.8 | -175.3 | -53.3 | -177.7 | 0 | 0 | 0 | 113.4 | L133 L150 N151 E152 R181 L184 E185 | L133-L154 HydrophobicContact CD2-CD1 4.06Å; L150-L154 HydrophobicContact CD2-CB 4.5Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.27Å; N151-L154 WeakPolarHBondContact O-CA 3.37Å; N151-L154 PolarHBondContact O-N 3.36Å; E152-L154 PolarHBondContact O-N 3.38Å; L154-R181 HydrophobicContact CB-CB 4.06Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.15Å; L154-L184 HydrophobicContact CD2-CD1 3.96Å; L154-E185 HydrophobicContact CD1-CG 4.28Å |
| 155 | R | 98.1 | Very high | 98.6 | Very high | 162 Ų | 162 | 58.8 Ų | 58.8 | 61% | 0.611 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -135.6 | -29.9 | -173.8 | -71.2 | 168.8 | -173.8 | -90 | 8.5 | 112.9 | D153 | D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.49Å; D153-R155 PolarHBondContact O-N 3.32Å; D153-R155 PolarHBondContact OD1-N 3.1Å |
| 156 | S | 98.4 | Very high | 98.6 | Very high | 39 Ų | 39 | 54 Ų | 54 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | trans | -118.6 | 161.4 | -177.9 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | N151 D153 | N151-S156 WeakPolarHBondContact CB-O 3.21Å; N151-S156 WeakPolarHBondContact CB-OG 3.42Å; N151-S156 PolarHBondContact N-O 3.22Å; N151-S156 PolarHBondContact ND2-O 3.48Å; N151-S156 PolarHBondContact ND2-OG 3.23Å; D153-S156 VanDerWaalsContact CG-OG 3.25Å; D153-S156 PolarHBondContact OD1-N 3.5Å; D153-S156 PolarHBondContact OD1-OG 3.27Å; D153-S156 VanDerWaalsContact OD1-OG 3.12Å; D153-S156 WeakPolarHBondContact OD2-CB 3.44Å; D153-S156 PolarHBondContact OD2-OG 3.49Å | ||
| 157 | W | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 147.1 | -178.6 | -61.4 | 91.8 | 0 | 0 | 0 | 110.8 | I148 A149 L150 Q168 W171 E176 A177 R180 | I148-W157 HydrophobicContact CD1-CB 4.04Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CD1-CG 4.31Å; I148-W157 HydrophobicContact CG1-CB 4.16Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; A149-W157 VanDerWaalsContact C-CE3 3.47Å; A149-W157 CarbonylContact O-C 3.56Å; A149-W157 WeakPolarHBondContact O-CA 3.22Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4Å; L150-W157 HydrophobicContact CB-CZ3 3.61Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.31Å; L150-W157 HydrophobicContact CD1-CH2 4.06Å; L150-W157 HydrophobicContact CD1-CZ2 3.87Å; L150-W157 HydrophobicContact CD1-CZ3 4.27Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 VanDerWaalsContact N-CE3 3.35Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 2.81Å; W157-Q168 VanDerWaalsContact O-NE2 3.11Å; W157-W171 AromaticContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CZ3 4.39Å; W157-W171 AromaticContact CE2-CE3 3.73Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 3.87Å; W157-W171 AromaticContact CH2-CE3 3.54Å; W157-W171 HydrophobicContact CH2-CE3 3.54Å; W157-W171 AromaticContact CH2-CZ3 3.46Å; W157-W171 HydrophobicContact CH2-CZ3 3.46Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.46Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.69Å; W157-W171 HydrophobicContact CZ3-CE3 3.69Å; W157-W171 AromaticContact CZ3-CZ3 3.39Å; W157-W171 HydrophobicContact CZ3-CZ3 3.39Å; W157-E176 HydrophobicContact CZ2-CB 4.33Å; W157-A177 HydrophobicContact CZ2-CB 4.35Å; W157-R180 HydrophobicContact CH2-CG 4.29Å; W157-R180 HydrophobicContact CZ2-CG 4.5Å |
| 158 | T | 98.8 | Very high | 98.5 | Very high | 77 Ų | 77 | 49.5 Ų | 49.5 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 116.1 | 166.4 | -66 | 0 | 0 | 0 | 0 | 108.9 | I148 A149 N151 | I148-T158 WeakPolarHBondContact CA-O 3.42Å; I148-T158 WeakPolarHBondContact CG1-O 3.15Å; A149-T158 PolarHBondContact N-O 3.43Å; A149-T158 PolarHBondContact O-N 3.3Å; N151-T158 PolarHBondContact ND2-OG1 2.82Å; N151-T158 WeakPolarHBondContact OD1-CB 3.49Å; N151-T158 PolarHBondContact OD1-OG1 2.76Å |
| 159 | A | 98.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 56.9 Ų | 56.9 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 132.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | A164 Q165 Q168 | A159-A164 HydrophobicContact CB-CB 3.71Å; A159-Q165 HydrophobicContact CB-CG 3.91Å; A159-Q168 HydrophobicContact CB-CB 4.33Å |
| 160 | A | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 61.1 Ų | 61.1 | 49% | 0.488 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -75 | -31.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D146 Y147 | D146-A160 HydrophobicContact CB-CB 4.26Å; D146-A160 WeakPolarHBondContact O-CB 3.34Å; Y147-A160 WeakPolarHBondContact O-CB 3.42Å; Y147-A160 PolarHBondContact O-N 3.31Å |
| 161 | D | 98.5 | Very high | 98.5 | Very high | 56 Ų | 56 | 63 Ų | 63 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -151 | -175 | -179 | 69.2 | 21.6 | 0 | 0 | 0 | 113.5 | Y109 A163 A164 Q165 | Y109-D161 VanDerWaalsContact CE1-OD2 3.31Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 PolarHBondContact OH-OD1 3.27Å; Y109-D161 PolarHBondContact OH-OD2 3.35Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.13Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.38Å; D161-A163 PolarHBondContact OD1-N 3.03Å; D161-A164 PolarHBondContact O-N 3.11Å; D161-A164 PolarHBondContact OD1-N 3.43Å; D161-Q165 WeakPolarHBondContact O-CG 3.45Å; D161-Q165 PolarHBondContact O-N 3.26Å |
| 162 | T | 98.3 | Very high | 98.5 | Very high | 113 Ų | 113 | 65.4 Ų | 65.4 | 69% | 0.693 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -29 | -178.7 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 163 | A | 98 | Very high | 98.5 | Very high | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y109 Y147 D161 Q165 I166 | Y109-A163 HydrophobicContact CD1-CB 4.14Å; Y109-A163 HydrophobicContact CD2-CB 4.48Å; Y109-A163 HydrophobicContact CE1-CB 3.58Å; Y109-A163 HydrophobicContact CE2-CB 3.96Å; Y109-A163 VanDerWaalsContact CZ-CB 3.49Å; Y147-A163 HydrophobicContact CE2-CB 4.46Å; Y147-A163 PolarHBondContact OH-O 3.24Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 3.13Å; D161-A163 WeakPolarHBondContact OD1-CA 3.43Å; D161-A163 WeakPolarHBondContact OD1-CB 3.38Å; D161-A163 PolarHBondContact OD1-N 3.03Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.26Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.44Å; A163-I166 PolarHBondContact O-N 3.36Å |
| 164 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60 | -33.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y147 A159 D161 I166 T167 Q168 | Y147-A164 HydrophobicContact CD2-CB 3.74Å; Y147-A164 HydrophobicContact CE1-CB 4.49Å; Y147-A164 VanDerWaalsContact CE2-CA 3.43Å; Y147-A164 HydrophobicContact CE2-CB 3.63Å; Y147-A164 HydrophobicContact CG-CB 4.25Å; Y147-A164 WeakPolarHBondContact O-CB 3.13Å; A159-A164 HydrophobicContact CB-CB 3.71Å; D161-A164 PolarHBondContact O-N 3.11Å; D161-A164 PolarHBondContact OD1-N 3.43Å; A164-I166 PolarHBondContact O-N 2.87Å; A164-T167 WeakPolarHBondContact O-CB 3.47Å; A164-T167 PolarHBondContact O-N 3.38Å; A164-Q168 PolarHBondContact O-N 3.04Å |
| 165 | Q | 98.8 | Very high | 98.5 | Very high | 75 Ų | 75 | 68.9 Ų | 68.9 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.9 | -26.2 | 173.8 | -73.5 | 174.3 | 10.1 | 0 | 0 | 113.1 | A159 D161 A163 R169 | A159-Q165 HydrophobicContact CB-CG 3.91Å; D161-Q165 WeakPolarHBondContact O-CG 3.45Å; D161-Q165 PolarHBondContact O-N 3.26Å; A163-Q165 VanDerWaalsContact C-N 3.26Å; A163-Q165 PolarHBondContact O-N 3.26Å; Q165-R169 WeakPolarHBondContact O-CG 3.48Å; Q165-R169 PolarHBondContact O-N 3.46Å; Q165-R169 VanDerWaalsContact O-N 3.14Å |
| 166 | I | 98.4 | Very high | 98.5 | Very high | 60 Ų | 60 | 63.5 Ų | 63.5 | 31% | 0.308 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 173.7 | -56.9 | 171.4 | 0 | 0 | 0 | 109.6 | Y108 A163 A164 K170 | Y108-I166 HydrophobicContact CD1-CD1 4.18Å; Y108-I166 HydrophobicContact CE1-CD1 4.48Å; Y108-I166 HydrophobicContact CE1-CG2 4.06Å; Y108-I166 HydrophobicContact CE2-CB 4.23Å; Y108-I166 HydrophobicContact CE2-CG2 4.09Å; Y108-I166 HydrophobicContact CG-CD1 4.21Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.44Å; A163-I166 PolarHBondContact O-N 3.36Å; A164-I166 PolarHBondContact O-N 2.87Å; I166-K170 WeakPolarHBondContact O-CG 3.48Å; I166-K170 PolarHBondContact O-N 2.63Å |
| 167 | T | 98.4 | Very high | 98.5 | Very high | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.086 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 174.8 | -68.5 | 0 | 0 | 0 | 0 | 111 | Y147 I148 A164 R169 K170 W171 | Y147-T167 HydrophobicContact CE1-CG2 4.24Å; Y147-T167 PolarHBondContact OH-OG1 2.64Å; I148-T167 HydrophobicContact CD1-CG2 4.13Å; I148-T167 HydrophobicContact CG2-CG2 4.46Å; A164-T167 WeakPolarHBondContact O-CB 3.47Å; A164-T167 PolarHBondContact O-N 3.38Å; T167-R169 PolarHBondContact O-N 3.11Å; T167-K170 WeakPolarHBondContact O-CB 3.39Å; T167-K170 PolarHBondContact O-N 2.67Å; T167-K170 VanDerWaalsContact O-N 3.09Å; T167-W171 HydrophobicContact CG2-CD2 3.64Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.19Å; T167-W171 HydrophobicContact CG2-CZ2 3.78Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 PolarHBondContact O-N 3Å |
| 168 | Q | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 67 Ų | 67 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -51.5 | -52.4 | 178.8 | 177.3 | 173.1 | 17.7 | 0 | 0 | 112 | I148 W157 A159 A164 K170 W171 E172 | I148-Q168 HydrophobicContact CD1-CB 3.83Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 2.81Å; W157-Q168 VanDerWaalsContact O-NE2 3.11Å; A159-Q168 HydrophobicContact CB-CB 4.33Å; A164-Q168 PolarHBondContact O-N 3.04Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.12Å; Q168-W171 PolarHBondContact O-N 2.9Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.31Å; Q168-E172 PolarHBondContact NE2-OE1 2.92Å; Q168-E172 WeakPolarHBondContact O-CB 3.31Å; Q168-E172 WeakPolarHBondContact O-CG 3.31Å; Q168-E172 PolarHBondContact O-N 3.48Å |
| 169 | R | 98.7 | Very high | 98.4 | Very high | 158 Ų | 158 | 68.9 Ų | 68.9 | 60% | 0.596 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61 | -37.8 | -179.4 | -68.3 | 171.2 | -166.3 | 156.4 | 8.2 | 112.6 | Q165 T167 A173 | Q165-R169 WeakPolarHBondContact O-CG 3.48Å; Q165-R169 PolarHBondContact O-N 3.46Å; Q165-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 3.11Å; R169-A173 WeakPolarHBondContact O-CB 3.44Å; R169-A173 PolarHBondContact O-N 2.83Å; R169-A173 VanDerWaalsContact O-N 3.08Å |
| 170 | K | 98.2 | Very high | 98.4 | Very high | 116 Ų | 116 | 71.7 Ų | 71.7 | 50% | 0.504 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 176.5 | -72.2 | 177.5 | 175.7 | -175.5 | 0 | 111.1 | Y108 I166 T167 Q168 A173 A174 | Y108-K170 PolarHBondContact OH-NZ 2.84Å; I166-K170 WeakPolarHBondContact O-CG 3.48Å; I166-K170 PolarHBondContact O-N 2.63Å; T167-K170 WeakPolarHBondContact O-CB 3.39Å; T167-K170 PolarHBondContact O-N 2.67Å; T167-K170 VanDerWaalsContact O-N 3.09Å; Q168-K170 VanDerWaalsContact C-N 3.29Å; Q168-K170 PolarHBondContact O-N 3.12Å; K170-A173 PolarHBondContact O-N 3.44Å; K170-A174 WeakPolarHBondContact O-CB 3.45Å; K170-A174 PolarHBondContact O-N 2.89Å |
| 171 | W | 98.4 | Very high | 98.4 | Very high | 50 Ų | 50 | 72.1 Ų | 72.1 | 19% | 0.189 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.3 | -36.3 | -178.6 | -74.3 | 5.5 | 0 | 0 | 0 | 112.9 | Y140 I148 W157 T167 Q168 A174 R175 E176 | Y140-W171 HydrophobicContact CD1-CH2 4.44Å; Y140-W171 AromaticContact CD2-CH2 3.8Å; Y140-W171 HydrophobicContact CD2-CH2 3.8Å; Y140-W171 HydrophobicContact CD2-CZ3 4.13Å; Y140-W171 HydrophobicContact CE1-CH2 4.12Å; Y140-W171 AromaticContact CE2-CH2 3.43Å; Y140-W171 HydrophobicContact CE2-CH2 3.43Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.43Å; Y140-W171 AromaticContact CE2-CZ3 3.87Å; Y140-W171 HydrophobicContact CE2-CZ3 3.87Å; Y140-W171 HydrophobicContact CG-CH2 4.31Å; Y140-W171 AromaticContact CZ-CH2 3.62Å; I148-W171 HydrophobicContact CD1-CE3 4.12Å; I148-W171 HydrophobicContact CD1-CZ3 4.35Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 4.05Å; I148-W171 HydrophobicContact CG2-CZ3 3.73Å; W157-W171 AromaticContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CZ3 4.39Å; W157-W171 AromaticContact CE2-CE3 3.73Å; W157-W171 AromaticContact CE3-CE3 3.85Å; W157-W171 HydrophobicContact CE3-CE3 3.85Å; W157-W171 AromaticContact CE3-CZ3 3.87Å; W157-W171 HydrophobicContact CE3-CZ3 3.87Å; W157-W171 AromaticContact CH2-CE3 3.54Å; W157-W171 HydrophobicContact CH2-CE3 3.54Å; W157-W171 AromaticContact CH2-CZ3 3.46Å; W157-W171 HydrophobicContact CH2-CZ3 3.46Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.46Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.69Å; W157-W171 HydrophobicContact CZ3-CE3 3.69Å; W157-W171 AromaticContact CZ3-CZ3 3.39Å; W157-W171 HydrophobicContact CZ3-CZ3 3.39Å; T167-W171 HydrophobicContact CG2-CD2 3.64Å; T167-W171 VanDerWaalsContact CG2-CE2 3.47Å; T167-W171 HydrophobicContact CG2-CE3 4.1Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.19Å; T167-W171 HydrophobicContact CG2-CZ2 3.78Å; T167-W171 HydrophobicContact CG2-CZ3 4.34Å; T167-W171 PolarHBondContact O-N 3Å; Q168-W171 PolarHBondContact O-N 2.9Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 3.36Å; W171-R175 WeakPolarHBondContact O-CA 3.4Å; W171-R175 PolarHBondContact O-N 2.85Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.84Å; W171-E176 HydrophobicContact CD2-CG 4.43Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.77Å; W171-E176 PolarHBondContact O-N 3.05Å |
| 172 | E | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 72.6 Ų | 72.6 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 171.9 | -73.4 | 170.4 | 174.5 | 0 | 0 | 111.2 | Q168 A174 R175 | Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.31Å; Q168-E172 PolarHBondContact NE2-OE1 2.92Å; Q168-E172 WeakPolarHBondContact O-CB 3.31Å; Q168-E172 WeakPolarHBondContact O-CG 3.31Å; Q168-E172 PolarHBondContact O-N 3.48Å; E172-A174 VanDerWaalsContact C-N 3.31Å; E172-A174 PolarHBondContact O-N 3.22Å; E172-R175 PolarHBondContact O-N 2.89Å |
| 173 | A | 98.5 | Very high | 98.4 | Very high | 87 Ų | 87 | 69.9 Ų | 69.9 | 72% | 0.719 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.5 | -36.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R169 K170 R175 | R169-A173 WeakPolarHBondContact O-CB 3.44Å; R169-A173 PolarHBondContact O-N 2.83Å; R169-A173 VanDerWaalsContact O-N 3.08Å; K170-A173 PolarHBondContact O-N 3.44Å; A173-R175 VanDerWaalsContact C-N 3.34Å |
| 174 | A | 98.2 | Very high | 98.4 | Very high | 53 Ų | 53 | 69.7 Ų | 69.7 | 44% | 0.438 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | K170 W171 E172 E176 | K170-A174 WeakPolarHBondContact O-CB 3.45Å; K170-A174 PolarHBondContact O-N 2.89Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 3.36Å; E172-A174 VanDerWaalsContact C-N 3.31Å; E172-A174 PolarHBondContact O-N 3.22Å; A174-E176 VanDerWaalsContact C-N 3.25Å; A174-E176 HydrophobicContact CB-CG 4.07Å; A174-E176 PolarHBondContact O-N 3.29Å |
| 175 | R | 98 | Very high | 98.4 | Very high | 159 Ų | 159 | 74.1 Ų | 74.1 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 38.3 | -177.1 | -55.8 | 178.9 | 173.5 | -151.4 | 4.8 | 113.7 | W171 E172 A173 A177 E178 | W171-R175 WeakPolarHBondContact O-CA 3.4Å; W171-R175 PolarHBondContact O-N 2.85Å; E172-R175 PolarHBondContact O-N 2.89Å; A173-R175 VanDerWaalsContact C-N 3.34Å; R175-A177 PolarHBondContact O-N 3.35Å; R175-A177 VanDerWaalsContact O-N 3.17Å; R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 WeakPolarHBondContact CD-OE1 3.47Å; R175-E178 IonicContact NH1-OE1 3.38Å; R175-E178 PolarHBondContact NH1-OE1 2.97Å; R175-E178 IonicContact NH1-OE2 3.93Å; R175-E178 WeakPolarHBondContact O-CB 3.21Å; R175-E178 PolarHBondContact O-N 3.24Å |
| 176 | E | 98.1 | Very high | 98.4 | Very high | 48 Ų | 48 | 71.5 Ų | 71.5 | 22% | 0.224 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.6 | -32.3 | -178.1 | -67.2 | -66.8 | 171.4 | 0 | 0 | 112.7 | W157 W171 A174 E178 Q179 R180 | W157-E176 HydrophobicContact CZ2-CB 4.33Å; W171-E176 HydrophobicContact CB-CB 3.94Å; W171-E176 HydrophobicContact CB-CG 3.84Å; W171-E176 HydrophobicContact CD2-CG 4.43Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.77Å; W171-E176 PolarHBondContact O-N 3.05Å; A174-E176 VanDerWaalsContact C-N 3.25Å; A174-E176 HydrophobicContact CB-CG 4.07Å; A174-E176 PolarHBondContact O-N 3.29Å; E176-E178 PolarHBondContact O-N 3.31Å; E176-Q179 PolarHBondContact O-N 3.04Å; E176-Q179 VanDerWaalsContact O-N 3.14Å; E176-Q179 PolarHBondContact OE2-NE2 3.18Å; E176-R180 WeakPolarHBondContact O-CG 3.21Å; E176-R180 PolarHBondContact O-N 3.37Å |
| 177 | A | 98.6 | Very high | 98.4 | Very high | 8 Ų | 8 | 73.5 Ų | 73.5 | 7% | 0.066 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59 | -33.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L150 W157 R175 R180 R181 | L150-A177 HydrophobicContact CD1-CB 3.94Å; W157-A177 HydrophobicContact CZ2-CB 4.35Å; R175-A177 PolarHBondContact O-N 3.35Å; R175-A177 VanDerWaalsContact O-N 3.17Å; A177-R180 PolarHBondContact O-N 3.15Å; A177-R181 WeakPolarHBondContact O-CB 3.35Å; A177-R181 PolarHBondContact O-N 2.99Å |
| 178 | E | 98.4 | Very high | 98.4 | Very high | 115 Ų | 115 | 72.8 Ų | 72.8 | 54% | 0.537 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 178 | -63.4 | 180 | -173.4 | 0 | 0 | 111.3 | R175 E176 A182 | R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 WeakPolarHBondContact CD-OE1 3.47Å; R175-E178 IonicContact NH1-OE1 3.38Å; R175-E178 PolarHBondContact NH1-OE1 2.97Å; R175-E178 IonicContact NH1-OE2 3.93Å; R175-E178 WeakPolarHBondContact O-CB 3.21Å; R175-E178 PolarHBondContact O-N 3.24Å; E176-E178 PolarHBondContact O-N 3.31Å; E178-A182 WeakPolarHBondContact O-CB 3.15Å; E178-A182 PolarHBondContact O-N 3.07Å |
| 179 | Q | 97.4 | Very high | 98.4 | Very high | 116 Ų | 116 | 71.4 Ų | 71.4 | 54% | 0.542 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68 | -45 | 177.1 | -62.9 | -178.7 | 54 | 0 | 0 | 111.4 | E176 R181 A182 Y183 | E176-Q179 PolarHBondContact O-N 3.04Å; E176-Q179 VanDerWaalsContact O-N 3.14Å; E176-Q179 PolarHBondContact OE2-NE2 3.18Å; Q179-R181 PolarHBondContact O-N 3.48Å; Q179-A182 PolarHBondContact O-N 3.21Å; Q179-Y183 PolarHBondContact O-N 3.48Å |
| 180 | R | 98.3 | Very high | 98.4 | Very high | 80 Ų | 80 | 70 Ų | 70 | 30% | 0.302 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.5 | -65.6 | -60.1 | -172.4 | -127.8 | -5.7 | 111.6 | D138 Y140 L150 W157 E176 A177 A182 Y183 L184 | D138-R180 WeakPolarHBondContact OD2-CD 3.33Å; D138-R180 WeakPolarHBondContact OD2-CG 3.33Å; D138-R180 IonicContact OD2-NE 2.63Å; D138-R180 PolarHBondContact OD2-NE 2.97Å; Y140-R180 PolarHBondContact OH-NH2 2.85Å; L150-R180 HydrophobicContact CD2-CB 4.02Å; W157-R180 HydrophobicContact CH2-CG 4.29Å; W157-R180 HydrophobicContact CZ2-CG 4.5Å; E176-R180 WeakPolarHBondContact O-CG 3.21Å; E176-R180 PolarHBondContact O-N 3.37Å; A177-R180 PolarHBondContact O-N 3.15Å; R180-A182 PolarHBondContact O-N 2.74Å; R180-Y183 PolarHBondContact O-N 3.36Å; R180-L184 WeakPolarHBondContact O-CB 3.46Å; R180-L184 WeakPolarHBondContact O-CG 3.4Å; R180-L184 PolarHBondContact O-N 3.25Å |
| 181 | R | 98.6 | Very high | 98.4 | Very high | 69 Ų | 69 | 66.9 Ų | 66.9 | 26% | 0.26 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 176 | -176.5 | 172.9 | 178.1 | -123.7 | -16 | 112.2 | L154 A177 Q179 Y183 L184 E185 | L154-R181 HydrophobicContact CB-CB 4.06Å; L154-R181 HydrophobicContact CB-CG 3.85Å; L154-R181 HydrophobicContact CD1-CG 4.15Å; A177-R181 WeakPolarHBondContact O-CB 3.35Å; A177-R181 PolarHBondContact O-N 2.99Å; Q179-R181 PolarHBondContact O-N 3.48Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.17Å; R181-L184 PolarHBondContact O-N 3.04Å; R181-E185 HydrophobicContact CG-CG 4.06Å; R181-E185 IonicContact CZ-OE1 3.85Å; R181-E185 IonicContact CZ-OE2 3.19Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.16Å; R181-E185 PolarHBondContact NE-OE1 2.85Å; R181-E185 IonicContact NE-OE2 2.76Å; R181-E185 PolarHBondContact NE-OE2 3.14Å; R181-E185 IonicContact NH2-OE1 3.36Å; R181-E185 PolarHBondContact NH2-OE1 3.41Å; R181-E185 IonicContact NH2-OE2 2.68Å; R181-E185 PolarHBondContact NH2-OE2 2.91Å; R181-E185 VanDerWaalsContact NH2-OE2 3.15Å; R181-E185 WeakPolarHBondContact O-CB 3.45Å; R181-E185 WeakPolarHBondContact O-CG 3.33Å; R181-E185 PolarHBondContact O-N 3.03Å |
| 182 | A | 98.6 | Very high | 98.3 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E178 Q179 R180 G186 | E178-A182 WeakPolarHBondContact O-CB 3.15Å; E178-A182 PolarHBondContact O-N 3.07Å; Q179-A182 PolarHBondContact O-N 3.21Å; R180-A182 PolarHBondContact O-N 2.74Å; A182-G186 PolarHBondContact O-N 3.19Å; A182-G186 VanDerWaalsContact O-N 3.1Å |
| 183 | Y | 98.5 | Very high | 98.2 | Very high | 56 Ų | 56 | 65.9 Ų | 65.9 | 22% | 0.22 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.7 | -48 | 173.6 | 170.8 | -97.8 | 0 | 0 | 0 | 112.3 | Y123 Q179 R180 R181 G186 E187 C188 | Y123-Y183 AromaticContact CD2-CE1 3.81Å; Y123-Y183 HydrophobicContact CD2-CE1 3.81Å; Y123-Y183 AromaticContact CE2-CE1 3.79Å; Y123-Y183 HydrophobicContact CE2-CE1 3.79Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å; Q179-Y183 PolarHBondContact O-N 3.48Å; R180-Y183 PolarHBondContact O-N 3.36Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.17Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.16Å; Y183-E187 HydrophobicContact CD2-CB 3.88Å; Y183-E187 HydrophobicContact CE2-CB 4.06Å; Y183-E187 PolarHBondContact O-N 2.72Å; Y183-C188 HydrophobicContact CD1-CB 4.2Å; Y183-C188 HydrophobicContact CE1-CB 3.73Å; Y183-C188 WeakPolarHBondContact O-CB 3.4Å; Y183-C188 PolarHBondContact O-N 3.04Å |
| 184 | L | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.6 | -37.9 | -174.9 | -70.1 | 168.6 | 0 | 0 | 0 | 112.8 | G124 L150 L154 R180 R181 V189 | G124-L184 WeakPolarHBondContact O-CD2 3.31Å; L150-L184 HydrophobicContact CD2-CD1 3.86Å; L154-L184 HydrophobicContact CD2-CD1 3.96Å; R180-L184 WeakPolarHBondContact O-CB 3.46Å; R180-L184 WeakPolarHBondContact O-CG 3.4Å; R180-L184 PolarHBondContact O-N 3.25Å; R181-L184 PolarHBondContact O-N 3.04Å; L184-V189 WeakPolarHBondContact O-CG2 3.33Å |
| 185 | E | 98.4 | Very high | 97.9 | Very high | 93 Ų | 93 | 64.8 Ų | 64.8 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -81.4 | -21.2 | 177.1 | -68.3 | -178.5 | 165.9 | 0 | 0 | 113.1 | L133 L154 R181 | L133-E185 HydrophobicContact CD2-CB 4.48Å; L133-E185 HydrophobicContact CD2-CG 3.75Å; L154-E185 HydrophobicContact CD1-CG 4.28Å; R181-E185 HydrophobicContact CG-CG 4.06Å; R181-E185 IonicContact CZ-OE1 3.85Å; R181-E185 IonicContact CZ-OE2 3.19Å; R181-E185 VanDerWaalsContact NE-CD 3.31Å; R181-E185 IonicContact NE-OE1 3.16Å; R181-E185 PolarHBondContact NE-OE1 2.85Å; R181-E185 IonicContact NE-OE2 2.76Å; R181-E185 PolarHBondContact NE-OE2 3.14Å; R181-E185 IonicContact NH2-OE1 3.36Å; R181-E185 PolarHBondContact NH2-OE1 3.41Å; R181-E185 IonicContact NH2-OE2 2.68Å; R181-E185 PolarHBondContact NH2-OE2 2.91Å; R181-E185 VanDerWaalsContact NH2-OE2 3.15Å; R181-E185 WeakPolarHBondContact O-CB 3.45Å; R181-E185 WeakPolarHBondContact O-CG 3.33Å; R181-E185 PolarHBondContact O-N 3.03Å |
| 186 | G | 98.4 | Very high | 97.7 | Very high | 20 Ų | 20 | 58.7 Ų | 58.7 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -99.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A182 Y183 C188 V189 E190 | A182-G186 PolarHBondContact O-N 3.19Å; A182-G186 VanDerWaalsContact O-N 3.1Å; Y183-G186 CarbonylContact O-C 3.56Å; Y183-G186 PolarHBondContact O-N 3.16Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 3.19Å; G186-C188 VanDerWaalsContact O-N 3.12Å; G186-V189 PolarHBondContact O-N 2.99Å; G186-E190 PolarHBondContact O-N 3.4Å |
| 187 | E | 98.1 | Very high | 97.4 | Very high | 101 Ų | 101 | 62.3 Ų | 62.3 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -52.8 | -38.9 | -169.6 | -67.6 | -171.4 | 178.5 | 0 | 0 | 113.7 | Y183 V189 E190 W191 | Y183-E187 HydrophobicContact CD2-CB 3.88Å; Y183-E187 HydrophobicContact CE2-CB 4.06Å; Y183-E187 PolarHBondContact O-N 2.72Å; E187-V189 PolarHBondContact O-N 3.36Å; E187-E190 PolarHBondContact O-N 3.13Å; E187-W191 WeakPolarHBondContact O-CB 3.44Å; E187-W191 PolarHBondContact O-N 3.42Å |
| 188 | C | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 178.8 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | M29 C125 Y183 G186 L192 | M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.44Å; C125-C188 HydrophobicContact CB-CB 3.94Å; C125-C188 WeakPolarHBondContact CB-SG 3.2Å; C125-C188 PolarHBondContact N-SG 2.89Å; C125-C188 WeakPolarHBondContact SG-CB 3.28Å; C125-C188 PolarHBondContact SG-O 3.44Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.98Å; Y183-C188 HydrophobicContact CD1-CB 4.2Å; Y183-C188 HydrophobicContact CE1-CB 3.73Å; Y183-C188 WeakPolarHBondContact O-CB 3.4Å; Y183-C188 PolarHBondContact O-N 3.04Å; G186-C188 VanDerWaalsContact C-N 3.26Å; G186-C188 PolarHBondContact O-N 3.19Å; G186-C188 VanDerWaalsContact O-N 3.12Å; C188-L192 WeakPolarHBondContact O-CB 3.24Å; C188-L192 PolarHBondContact O-N 2.83Å |
| 189 | V | 98.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 180 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | V127 G131 L133 L184 G186 E187 R193 | V127-V189 HydrophobicContact CG1-CB 4.39Å; V127-V189 HydrophobicContact CG1-CG1 4Å; V127-V189 HydrophobicContact CG1-CG2 3.97Å; G131-V189 WeakPolarHBondContact O-CG1 3.29Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 4Å; L184-V189 WeakPolarHBondContact O-CG2 3.33Å; G186-V189 PolarHBondContact O-N 2.99Å; E187-V189 PolarHBondContact O-N 3.36Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 3.32Å; V189-R193 VanDerWaalsContact O-N 3.08Å |
| 190 | E | 98.3 | Very high | 95.4 | Very high | 129 Ų | 129 | 57.1 Ų | 57.1 | 60% | 0.603 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.2 | -47.2 | 178.7 | -69.2 | 178.7 | 176 | 0 | 0 | 112 | G186 E187 R193 R194 | G186-E190 PolarHBondContact O-N 3.4Å; E187-E190 PolarHBondContact O-N 3.13Å; E190-R193 PolarHBondContact O-N 3.13Å; E190-R194 PolarHBondContact O-N 3.33Å; E190-R194 VanDerWaalsContact O-N 3.09Å |
| 191 | W | 97.9 | Very high | 93.9 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 19% | 0.193 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.1 | -41 | 178.3 | -81.1 | 107.3 | 0 | 0 | 0 | 112.4 | M29 Y83 R86 E187 R193 R194 Y195 | M29-W191 HydrophobicContact CE-CB 4.14Å; M29-W191 HydrophobicContact SD-CB 4.48Å; Y83-W191 AromaticContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.85Å; Y83-W191 HydrophobicContact CD2-CZ3 3.85Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 AromaticContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CH2 3.85Å; Y83-W191 HydrophobicContact CE2-CZ2 4.46Å; Y83-W191 AromaticContact CE2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CZ3 3.68Å; R86-W191 VanDerWaalsContact NH2-CZ2 3.28Å; E187-W191 WeakPolarHBondContact O-CB 3.44Å; E187-W191 PolarHBondContact O-N 3.42Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.14Å; W191-R194 VanDerWaalsContact CZ3-CD 3.49Å; W191-R194 PolarHBondContact O-N 2.9Å; W191-Y195 HydrophobicContact CB-CE2 3.95Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.31Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-OH 3.26Å; W191-Y195 AromaticContact CZ3-CE1 3.85Å; W191-Y195 HydrophobicContact CZ3-CE1 3.85Å; W191-Y195 VanDerWaalsContact O-CD2 3.24Å; W191-Y195 WeakPolarHBondContact O-CD2 3.45Å; W191-Y195 PolarHBondContact O-N 3.12Å |
| 192 | L | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 175.7 | 175.4 | 52.3 | 0 | 0 | 0 | 111.1 | H27 M29 V52 V127 C188 R194 Y195 L196 | H27-L192 HydrophobicContact CB-CD1 4.36Å; H27-L192 HydrophobicContact CB-CD2 4.33Å; M29-L192 HydrophobicContact CB-CB 4.11Å; M29-L192 HydrophobicContact CB-CD1 4.05Å; M29-L192 HydrophobicContact CB-CD2 4.13Å; M29-L192 HydrophobicContact CB-CG 4.31Å; M29-L192 HydrophobicContact CE-CB 4.39Å; V52-L192 HydrophobicContact CG1-CD1 3.8Å; V52-L192 HydrophobicContact CG2-CD1 4.27Å; V127-L192 HydrophobicContact CB-CD2 4.33Å; V127-L192 HydrophobicContact CG1-CD2 3.92Å; V127-L192 HydrophobicContact CG2-CD2 3.57Å; V127-L192 HydrophobicContact CG2-CG 4.25Å; C188-L192 WeakPolarHBondContact O-CB 3.24Å; C188-L192 PolarHBondContact O-N 2.83Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.88Å; L192-Y195 PolarHBondContact O-N 3.45Å; L192-L196 HydrophobicContact CD1-CD1 3.91Å; L192-L196 HydrophobicContact CD1-CD2 4.43Å; L192-L196 HydrophobicContact CD1-CG 3.94Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.24Å; L192-L196 PolarHBondContact O-N 3.17Å |
| 193 | R | 95.5 | Very high | 90.2 | Very high | 122 Ų | 122 | 61.1 Ų | 61.1 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 175.9 | -70.9 | 172.6 | -177.7 | -175.4 | 1 | 112.4 | G131 V189 E190 W191 L196 E197 | G131-R193 VanDerWaalsContact O-CZ 3.24Å; G131-R193 PolarHBondContact O-NE 3.31Å; G131-R193 PolarHBondContact O-NH2 3.15Å; V189-R193 VanDerWaalsContact O-CG 3.3Å; V189-R193 WeakPolarHBondContact O-CG 3.34Å; V189-R193 PolarHBondContact O-N 3.32Å; V189-R193 VanDerWaalsContact O-N 3.08Å; E190-R193 PolarHBondContact O-N 3.13Å; W191-R193 VanDerWaalsContact C-N 3.33Å; W191-R193 PolarHBondContact O-N 3.14Å; R193-L196 PolarHBondContact O-N 2.92Å; R193-E197 PolarHBondContact O-N 2.85Å |
| 194 | R | 95.6 | Very high | 87.9 | Confident | 114 Ų | 114 | 62.7 Ų | 62.7 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 176.3 | 178.7 | 178.2 | 172.9 | 100.3 | -5 | 111.6 | E79 E190 W191 L192 E197 N198 | E79-R194 IonicContact OE1-CZ 3.52Å; E79-R194 IonicContact OE1-NE 3.45Å; E79-R194 PolarHBondContact OE1-NE 2.74Å; E79-R194 IonicContact OE1-NH2 2.65Å; E79-R194 PolarHBondContact OE1-NH2 3.41Å; E79-R194 IonicContact OE2-CZ 3.49Å; E79-R194 IonicContact OE2-NE 2.78Å; E79-R194 PolarHBondContact OE2-NE 3.24Å; E79-R194 IonicContact OE2-NH2 3.59Å; E79-R194 PolarHBondContact OE2-NH2 3.48Å; E190-R194 PolarHBondContact O-N 3.33Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 VanDerWaalsContact CZ3-CD 3.49Å; W191-R194 PolarHBondContact O-N 2.9Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.88Å; R194-E197 PolarHBondContact O-N 3.42Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.94Å; R194-N198 PolarHBondContact O-OD1 2.96Å; R194-N198 VanDerWaalsContact O-OD1 3.12Å |
| 195 | Y | 95.2 | Very high | 85.3 | Confident | 2 Ų | 2 | 72.6 Ų | 72.6 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 179.9 | -61.4 | -29.7 | 0 | 0 | 0 | 112.8 | M29 V52 F57 W75 I76 Y83 W191 L192 N198 G199 | M29-Y195 HydrophobicContact SD-CD2 3.77Å; M29-Y195 HydrophobicContact SD-CE2 3.54Å; M29-Y195 VanDerWaalsContact SD-CE2 3.54Å; V52-Y195 HydrophobicContact CG2-CD2 3.81Å; V52-Y195 HydrophobicContact CG2-CG 4.32Å; F57-Y195 HydrophobicContact CE2-CD2 4.13Å; F57-Y195 AromaticContact CE2-CE2 3.63Å; F57-Y195 HydrophobicContact CE2-CE2 3.63Å; F57-Y195 AromaticContact CE2-CZ 3.87Å; F57-Y195 HydrophobicContact CZ-CD2 4.15Å; F57-Y195 AromaticContact CZ-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CE2 3.69Å; W75-Y195 HydrophobicContact CH2-CG 4.09Å; W75-Y195 AromaticContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD1 3.73Å; W75-Y195 HydrophobicContact CZ3-CD2 4.46Å; W75-Y195 AromaticContact CZ3-CG 3.68Å; W75-Y195 HydrophobicContact CZ3-CG 3.68Å; I76-Y195 HydrophobicContact CD1-CD1 3.78Å; I76-Y195 HydrophobicContact CD1-CE1 3.36Å; Y83-Y195 HydrophobicContact CE2-CE1 4.45Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.25Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.44Å; Y83-Y195 PolarHBondContact OH-OH 3Å; W191-Y195 HydrophobicContact CB-CE2 3.95Å; W191-Y195 HydrophobicContact CD2-CE1 4.48Å; W191-Y195 HydrophobicContact CE3-CD1 4.31Å; W191-Y195 AromaticContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE1 3.41Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.41Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.44Å; W191-Y195 VanDerWaalsContact CE3-OH 3.26Å; W191-Y195 AromaticContact CZ3-CE1 3.85Å; W191-Y195 HydrophobicContact CZ3-CE1 3.85Å; W191-Y195 VanDerWaalsContact O-CD2 3.24Å; W191-Y195 WeakPolarHBondContact O-CD2 3.45Å; W191-Y195 PolarHBondContact O-N 3.12Å; L192-Y195 PolarHBondContact O-N 3.45Å; Y195-N198 PolarHBondContact O-N 3.11Å; Y195-G199 PolarHBondContact O-N 3.37Å |
| 196 | L | 93.8 | Very high | 82.6 | Confident | 31 Ų | 31 | 75.5 Ų | 75.5 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 173.3 | -69.2 | 168.8 | 0 | 0 | 0 | 111.5 | H27 V52 L192 R193 G199 K200 L203 | H27-L196 HydrophobicContact CB-CD1 3.72Å; H27-L196 HydrophobicContact CB-CD2 4.23Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.38Å; V52-L196 HydrophobicContact CG1-CD2 3.95Å; L192-L196 HydrophobicContact CD1-CD1 3.91Å; L192-L196 HydrophobicContact CD1-CD2 4.43Å; L192-L196 HydrophobicContact CD1-CG 3.94Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.24Å; L192-L196 PolarHBondContact O-N 3.17Å; R193-L196 PolarHBondContact O-N 2.92Å; L196-G199 CarbonylContact O-C 3.55Å; L196-G199 PolarHBondContact O-N 3.31Å; L196-K200 WeakPolarHBondContact O-CA 3.48Å; L196-K200 PolarHBondContact O-N 3.09Å; L196-L203 HydrophobicContact CD2-CD1 4.15Å |
| 197 | E | 92.1 | Very high | 81.8 | Confident | 125 Ų | 125 | 78.3 Ų | 78.3 | 58% | 0.584 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | 176.5 | -171.6 | 61.4 | -155.1 | 0 | 0 | 111.6 | R193 R194 G199 K200 | R193-E197 PolarHBondContact O-N 2.85Å; R194-E197 PolarHBondContact O-N 3.42Å; E197-G199 PolarHBondContact O-N 3.39Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 3.18Å |
| 198 | N | 89.9 | Confident | 81 | Confident | 38 Ų | 38 | 77.1 Ų | 77.1 | 20% | 0.203 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.5 | -34.6 | 175.5 | -64.9 | -7 | 0 | 0 | 0 | 112.1 | W75 Q78 E79 R194 Y195 | W75-N198 HydrophobicContact CE3-CB 4.47Å; Q78-N198 PolarHBondContact NE2-ND2 2.83Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.13Å; Q78-N198 PolarHBondContact NE2-OD1 2.91Å; E79-N198 PolarHBondContact OE1-ND2 2.8Å; E79-N198 VanDerWaalsContact OE1-ND2 3.14Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.94Å; R194-N198 PolarHBondContact O-OD1 2.96Å; R194-N198 VanDerWaalsContact O-OD1 3.12Å; Y195-N198 PolarHBondContact O-N 3.11Å |
| 199 | G | 84.4 | Confident | 80 | Confident | 2 Ų | 2 | 81.4 Ų | 81.4 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -94 | -1.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y195 L196 E197 D201 K202 L203 | Y195-G199 PolarHBondContact O-N 3.37Å; L196-G199 CarbonylContact O-C 3.55Å; L196-G199 PolarHBondContact O-N 3.31Å; E197-G199 PolarHBondContact O-N 3.39Å; G199-D201 VanDerWaalsContact C-N 3.33Å; G199-D201 PolarHBondContact O-N 3.32Å; G199-D201 VanDerWaalsContact O-N 3.16Å; G199-K202 CarbonylContact O-C 3.46Å; G199-K202 WeakPolarHBondContact O-CA 3.41Å; G199-K202 PolarHBondContact O-N 2.88Å; G199-L203 PolarHBondContact O-N 2.86Å |
| 200 | K | 78.6 | Confident | 78.9 | Confident | 90 Ų | 90 | 85.6 Ų | 85.6 | 39% | 0.391 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -50.3 | -45.3 | -167 | -166.6 | 174.5 | -173.6 | 166.7 | 0 | 114.5 | L196 E197 K202 E204 | L196-K200 WeakPolarHBondContact O-CA 3.48Å; L196-K200 PolarHBondContact O-N 3.09Å; E197-K200 WeakPolarHBondContact O-CB 3.35Å; E197-K200 PolarHBondContact O-N 3.18Å; K200-K202 PolarHBondContact O-N 3.38Å; K200-K202 VanDerWaalsContact O-N 3.09Å; K200-E204 HydrophobicContact CG-CG 4.37Å; K200-E204 WeakPolarHBondContact CG-OE1 3.33Å; K200-E204 WeakPolarHBondContact O-CG 3.41Å |
| 201 | D | 66.8 | Low | 77.7 | Confident | 131 Ų | 131 | 82.9 Ų | 82.9 | 70% | 0.701 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.8 | -15 | 179.3 | -73 | -24 | 0 | 0 | 0 | 114.3 | G199 R205 | G199-D201 VanDerWaalsContact C-N 3.33Å; G199-D201 PolarHBondContact O-N 3.32Å; G199-D201 VanDerWaalsContact O-N 3.16Å; D201-R205 PolarHBondContact O-NE 3.42Å |
| 202 | K | 62.1 | Low | 76.3 | Confident | 136 Ų | 136 | 85.1 Ų | 85.1 | 59% | 0.591 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -123.9 | -30.8 | -172.8 | -61.6 | -163.7 | -179.3 | -177.7 | 0 | 115 | G199 K200 | G199-K202 CarbonylContact O-C 3.46Å; G199-K202 WeakPolarHBondContact O-CA 3.41Å; G199-K202 PolarHBondContact O-N 2.88Å; K200-K202 PolarHBondContact O-N 3.38Å; K200-K202 VanDerWaalsContact O-N 3.09Å |
| 203 | L | 57.7 | Low | 74.8 | Confident | 32 Ų | 32 | 91.1 Ų | 91.1 | 17% | 0.168 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -78.2 | -28.8 | 178.7 | -67.5 | 174.2 | 0 | 0 | 0 | 111.8 | V52 L196 G199 R205 | V52-L203 HydrophobicContact CG1-CD1 4.29Å; L196-L203 HydrophobicContact CD2-CD1 4.15Å; G199-L203 PolarHBondContact O-N 2.86Å; L203-R205 PolarHBondContact O-N 3.08Å |
| 204 | E | 49.9 | Very low | 73.2 | Confident | 88 Ų | 88 | 88.8 Ų | 88.8 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 4.5 | 178.6 | -54.8 | -179.4 | 160.8 | 0 | 0 | 113.7 | W23 K200 | W23-E204 HydrophobicContact CE3-CB 3.67Å; W23-E204 HydrophobicContact CE3-CG 4.26Å; W23-E204 WeakPolarHBondContact CH2-O 3.47Å; W23-E204 HydrophobicContact CZ3-CB 3.46Å; W23-E204 VanDerWaalsContact CZ3-CB 3.46Å; W23-E204 HydrophobicContact CZ3-CG 4.46Å; W23-E204 WeakPolarHBondContact CZ3-O 3.43Å; K200-E204 HydrophobicContact CG-CG 4.37Å; K200-E204 WeakPolarHBondContact CG-OE1 3.33Å; K200-E204 WeakPolarHBondContact O-CG 3.41Å |
| 205 | R | 44.2 | Very low | 71.3 | Confident | 211 Ų | 211 | 86.7 Ų | 86.7 | 80% | 0.796 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 5.1 | 179.1 | -66.2 | -172.2 | -175.3 | -179.6 | 4.8 | 114.3 | D201 L203 | D201-R205 PolarHBondContact O-NE 3.42Å; L203-R205 PolarHBondContact O-N 3.08Å |
| 206 | A | 41.5 | Very low | 69.2 | Low | 154 Ų | 154 | 94.4 Ų | 94.4 | 100% | 1.273 | 48% | 0.482 | S | S | * | . | trans | -90 | 0 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 |
Retrieved 206 of 206 residues in 1048.8 ms
(Link to these results)