| 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 | R | 39.5 | Very low | 40.3 | Very low | 302 Ų | 302 | 170.7 Ų | 170.7 | 100% | 1.14 | 83% | 0.829 | S | S | * | * | 0 | 102.2 | 0 | -134.5 | 176.6 | -169.9 | 170.4 | 2 | 106 | |||||
| 2 | N | 33.6 | Very low | 41 | Very low | 173 Ų | 173 | 165.6 Ų | 165.6 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -64.4 | 131.8 | -172.9 | -89.4 | -10.1 | 0 | 0 | 0 | 111.4 | ||||
| 3 | M | 37.5 | Very low | 41.7 | Very low | 185 Ų | 185 | 169 Ų | 169 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -85.4 | 124.9 | 170.9 | -67 | 177.4 | 79 | 0 | 0 | 109.2 | K5 | M3-K5 PolarHBondContact O-N 3.38Š| ||
| 4 | N | 35.9 | Very low | 42.5 | Very low | 148 Ų | 148 | 161.1 Ų | 161.1 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -65.1 | 115.8 | -173.6 | -135.1 | 18.2 | 0 | 0 | 0 | 110.6 | N6 | N4-N6 PolarHBondContact O-N 3.35Š| ||
| 5 | K | 43.9 | Very low | 43.5 | Very low | 198 Ų | 198 | 160 Ų | 160 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -77.9 | 108.3 | 164 | -78.8 | 178.5 | 178.1 | 176 | 0 | 107.5 | M3 H7 | M3-K5 PolarHBondContact O-N 3.38Å; K5-H7 PolarHBondContact O-N 3.18Å | ||
| 6 | N | 37.5 | Very low | 45.5 | Very low | 145 Ų | 145 | 152.9 Ų | 152.9 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | -65.7 | 103.9 | 171.8 | -76.6 | -13 | 0 | 0 | 0 | 109.3 | N4 R8 | N4-N6 PolarHBondContact O-N 3.35Å; N6-R8 PolarHBondContact O-N 3.02Å | ||
| 7 | H | 41.3 | Very low | 47.8 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | trans | -69.1 | 104.2 | 163.5 | -116.9 | 20.4 | 0 | 0 | 0 | 108 | K5 V9 | K5-H7 PolarHBondContact O-N 3.18Å; H7-V9 PolarHBondContact O-N 3.43Å; H7-V9 VanDerWaalsContact O-N 3.09Å | ||
| 8 | R | 45.5 | Very low | 50.3 | Low | 241 Ų | 241 | 138.4 Ų | 138.4 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | trans | -68.1 | 103.8 | 168.4 | -170.1 | 176.5 | -176.1 | 175.4 | 1.2 | 107.2 | N6 | N6-R8 PolarHBondContact O-N 3.02Š| ||
| 9 | V | 40.9 | Very low | 52.6 | Low | 123 Ų | 123 | 135.9 Ų | 135.9 | 75% | 0.745 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 126.6 | 172 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | H7 S11 | H7-V9 PolarHBondContact O-N 3.43Å; H7-V9 VanDerWaalsContact O-N 3.09Å; V9-S11 PolarHBondContact O-N 3.09Å |
| 10 | P | 42.5 | Very low | 54.8 | Low | 100 Ų | 100 | 129.2 Ų | 129.2 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 122 | 176.8 | -4.1 | 15.6 | 0 | 0 | 0 | 107.9 | ||
| 11 | S | 44.7 | Very low | 56.7 | Low | 80 Ų | 80 | 126.9 Ų | 126.9 | 56% | 0.559 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 144.2 | 172.1 | 63 | 0 | 0 | 0 | 0 | 108.7 | V9 R13 S14 | V9-S11 PolarHBondContact O-N 3.09Å; S11-R13 PolarHBondContact O-N 3.49Å; S11-S14 WeakPolarHBondContact O-CB 3.35Å; S11-S14 PolarHBondContact O-N 3.5Å; S11-S14 PolarHBondContact O-OG 3.1Å |
| 12 | S | 49.6 | Very low | 59.4 | Low | 109 Ų | 109 | 112.5 Ų | 112.5 | 76% | 0.762 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -51.9 | -21.5 | 177.8 | 168 | 0 | 0 | 0 | 0 | 113.9 | S14 | S12-S14 VanDerWaalsContact C-N 3.3Å; S12-S14 PolarHBondContact O-N 3.18Å |
| 13 | R | 50.1 | Low | 62.4 | Low | 210 Ų | 210 | 107.7 Ų | 107.7 | 79% | 0.792 | 55% | 0.551 | S | S | * | * | G | 310 helix | trans | -67.3 | -21 | 171.7 | -73.6 | -175.1 | 176.9 | -179 | -1 | 114.8 | S11 L15 S16 | S11-R13 PolarHBondContact O-N 3.49Å; R13-L15 VanDerWaalsContact C-N 3.29Å; R13-L15 PolarHBondContact O-N 2.68Å; R13-S16 PolarHBondContact O-N 2.84Å; R13-S16 PolarHBondContact O-OG 3.38Å |
| 14 | S | 51.9 | Low | 65 | Low | 59 Ų | 59 | 100.5 Ų | 100.5 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -72.1 | -20.6 | -178.8 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | S11 S12 | S11-S14 WeakPolarHBondContact O-CB 3.35Å; S11-S14 PolarHBondContact O-N 3.5Å; S11-S14 PolarHBondContact O-OG 3.1Å; S12-S14 VanDerWaalsContact C-N 3.3Å; S12-S14 PolarHBondContact O-N 3.18Å |
| 15 | L | 57.5 | Low | 67.5 | Low | 144 Ų | 144 | 96.2 Ų | 96.2 | 75% | 0.754 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -83.5 | -18.3 | 178.9 | -68.7 | 168.3 | 0 | 0 | 0 | 112.9 | R13 | R13-L15 VanDerWaalsContact C-N 3.29Å; R13-L15 PolarHBondContact O-N 2.68Å |
| 16 | S | 75.9 | Confident | 69.6 | Low | 47 Ų | 47 | 91.3 Ų | 91.3 | 33% | 0.329 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -8.9 | 178.2 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | R13 R35 | R13-S16 PolarHBondContact O-N 2.84Å; R13-S16 PolarHBondContact O-OG 3.38Å; S16-R35 WeakPolarHBondContact O-CA 3.4Å; S16-R35 WeakPolarHBondContact O-CB 3.41Å; S16-R35 PolarHBondContact O-N 3.29Å |
| 17 | A | 85.4 | Confident | 72.2 | Confident | 44 Ų | 44 | 88 Ų | 88 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 135.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L33 | A17-L33 CarbonylContact C-O 3.59Å; A17-L33 WeakPolarHBondContact CA-O 3.41Å |
| 18 | V | 91.8 | Very high | 74.8 | Confident | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.3 | 169.8 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | S32 L33 R35 V83 A86 L90 | V18-S32 CarbonylContact O-C 3.5Å; V18-S32 WeakPolarHBondContact O-CA 3.22Å; V18-L33 HydrophobicContact CB-CB 4.49Å; V18-L33 PolarHBondContact N-O 3.24Å; V18-L33 PolarHBondContact O-N 3.4Å; V18-R35 HydrophobicContact CG2-CB 3.82Å; V18-R35 HydrophobicContact CG2-CG 4.23Å; V18-V83 HydrophobicContact CG2-CG1 3.85Å; V18-A86 HydrophobicContact CG1-CB 3.62Å; V18-L90 HydrophobicContact CG1-CB 3.84Å |
| 19 | E | 94.2 | Very high | 77.1 | Confident | 92 Ų | 92 | 75.9 Ų | 75.9 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 134.6 | 171 | -67.3 | -174.3 | -164.5 | 0 | 0 | 109.2 | R30 P88 L89 L90 | E19-R30 IonicContact OE2-NH2 3.1Å; E19-R30 PolarHBondContact OE2-NH2 3.43Å; E19-R30 VanDerWaalsContact OE2-NH2 3.1Å; E19-P88 PolarHBondContact N-O 2.85Å; E19-L89 HydrophobicContact CB-CD1 3.84Å; E19-L89 CarbonylContact O-C 3.53Å; E19-L89 WeakPolarHBondContact O-CA 3.5Å; E19-L90 PolarHBondContact O-N 2.94Å |
| 20 | V | 95.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131 | 178 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | R30 F31 L33 L90 L92 | V20-R30 WeakPolarHBondContact O-CA 3.31Å; V20-F31 WeakPolarHBondContact CA-O 3.06Å; V20-F31 HydrophobicContact CB-CD1 4.3Å; V20-F31 HydrophobicContact CB-CD2 4.13Å; V20-F31 HydrophobicContact CB-CE1 4.11Å; V20-F31 HydrophobicContact CB-CE2 3.93Å; V20-F31 HydrophobicContact CB-CG 4.31Å; V20-F31 HydrophobicContact CB-CZ 3.93Å; V20-F31 WeakPolarHBondContact CB-O 3.39Å; V20-F31 HydrophobicContact CG1-CD1 4.39Å; V20-F31 HydrophobicContact CG1-CE1 3.76Å; V20-F31 HydrophobicContact CG1-CE2 4.08Å; V20-F31 HydrophobicContact CG1-CZ 3.59Å; V20-F31 HydrophobicContact CG2-CD2 4.2Å; V20-F31 HydrophobicContact CG2-CE2 3.88Å; V20-F31 HydrophobicContact CG2-CZ 4.26Å; V20-F31 PolarHBondContact N-O 3.17Å; V20-F31 PolarHBondContact O-N 3.25Å; V20-L33 HydrophobicContact CG2-CB 4.47Å; V20-L33 HydrophobicContact CG2-CD1 3.69Å; V20-L33 HydrophobicContact CG2-CG 3.81Å; V20-L90 WeakPolarHBondContact CA-O 3.33Å; V20-L90 HydrophobicContact CG2-CB 4.3Å; V20-L90 HydrophobicContact CG2-CD2 4.29Å; V20-L92 HydrophobicContact CG1-CD1 3.37Å; V20-L92 HydrophobicContact CG1-CG 4.02Å |
| 21 | K | 96.1 | Very high | 82.2 | Confident | 81 Ų | 81 | 75.3 Ų | 75.3 | 35% | 0.352 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 108.3 | 166.3 | 177.9 | 173.3 | -177.7 | 171.9 | 0 | 108.2 | F28 R30 L89 L90 R91 L92 | K21-F28 HydrophobicContact CD-CD1 4.39Å; K21-F28 HydrophobicContact CG-CD1 4.19Å; K21-R30 HydrophobicContact CB-CG 4.31Å; K21-R30 HydrophobicContact CG-CG 4.36Å; K21-L89 HydrophobicContact CB-CD1 3.86Å; K21-L89 HydrophobicContact CB-CD2 4.31Å; K21-L89 HydrophobicContact CB-CG 4.37Å; K21-L90 PolarHBondContact N-O 2.68Å; K21-R91 WeakPolarHBondContact O-CA 3.47Å; K21-L92 PolarHBondContact O-N 3.3Å |
| 22 | S | 96.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.8 | -175.7 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | F28 R29 H52 L94 | S22-F28 CarbonylContact O-C 3.54Å; S22-F28 WeakPolarHBondContact O-CA 3.19Å; S22-R29 PolarHBondContact N-O 3.18Å; S22-R29 PolarHBondContact O-N 2.87Å; S22-H52 WeakPolarHBondContact CB-NE2 3.41Å; S22-H52 PolarHBondContact O-CE1 3.25Å; S22-H52 PolarHBondContact OG-NE2 2.92Å; S22-L94 WeakPolarHBondContact OG-CD1 3.4Å |
| 23 | K | 95.3 | Very high | 86.4 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 32% | 0.317 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.7 | -179.9 | -173.6 | -174.8 | -179.3 | -180 | 0 | 110.8 | G25 E27 F28 L92 F93 L94 | K23-G25 WeakPolarHBondContact CE-O 3.5Å; K23-E27 CarbonylContact C-O 3.58Å; K23-E27 VanDerWaalsContact CA-O 3.31Å; K23-E27 WeakPolarHBondContact CA-O 3.37Å; K23-F28 HydrophobicContact CB-CD1 3.76Å; K23-F28 HydrophobicContact CB-CE1 3.62Å; K23-F28 HydrophobicContact CB-CZ 4.4Å; K23-F28 HydrophobicContact CD-CD1 4.43Å; K23-F28 HydrophobicContact CD-CE1 3.55Å; K23-F28 HydrophobicContact CD-CE2 4.41Å; K23-F28 HydrophobicContact CD-CZ 3.54Å; K23-F28 HydrophobicContact CG-CD1 3.89Å; K23-F28 HydrophobicContact CG-CE1 3.5Å; K23-F28 VanDerWaalsContact CG-CE1 3.5Å; K23-F28 HydrophobicContact CG-CE2 4.36Å; K23-F28 HydrophobicContact CG-CZ 3.77Å; K23-L92 PolarHBondContact N-O 3.4Å; K23-F93 HydrophobicContact CB-CD1 4.42Å; K23-F93 HydrophobicContact CD-CD1 4.09Å; K23-F93 HydrophobicContact CD-CE1 4.13Å; K23-L94 WeakPolarHBondContact O-CB 3.21Å; K23-L94 PolarHBondContact O-N 2.91Å |
| 24 | F | 92.7 | Very high | 88.3 | Confident | 33 Ų | 33 | 65 Ų | 65 | 15% | 0.145 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 115.1 | 171.2 | 179.6 | -113.3 | 0 | 0 | 0 | 109.6 | A26 E27 I54 L59 L94 R96 | F24-A26 PolarHBondContact O-N 3.19Å; F24-E27 PolarHBondContact N-O 2.75Å; F24-E27 WeakPolarHBondContact O-CB 3.36Å; F24-E27 PolarHBondContact O-N 2.79Å; F24-I54 HydrophobicContact CD1-CD1 3.89Å; F24-I54 HydrophobicContact CD1-CG2 4.46Å; F24-I54 HydrophobicContact CD2-CD1 4.04Å; F24-I54 HydrophobicContact CE1-CD1 3.76Å; F24-I54 HydrophobicContact CE1-CG2 3.83Å; F24-I54 HydrophobicContact CE2-CD1 3.92Å; F24-I54 HydrophobicContact CG-CD1 4.03Å; F24-I54 HydrophobicContact CZ-CD1 3.77Å; F24-I54 HydrophobicContact CZ-CG2 4.35Å; F24-L59 HydrophobicContact CD2-CD2 4.2Å; F24-L59 HydrophobicContact CE2-CD2 3.64Å; F24-L59 HydrophobicContact CZ-CD2 4.4Å; F24-L94 HydrophobicContact CB-CB 4.11Å; F24-L94 HydrophobicContact CB-CD1 4.37Å; F24-L94 HydrophobicContact CD2-CB 3.77Å; F24-L94 HydrophobicContact CG-CB 4.39Å; F24-R96 HydrophobicContact CE2-CG 3.83Å; F24-R96 HydrophobicContact CZ-CG 3.8Å |
| 25 | G | 88 | Confident | 90 | Very high | 59 Ų | 59 | 65.9 Ų | 65.9 | 61% | 0.608 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | -118.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K23 | K23-G25 WeakPolarHBondContact CE-O 3.5Š|
| 26 | A | 88.3 | Confident | 91.4 | Very high | 95 Ų | 95 | 62.9 Ų | 62.9 | 79% | 0.785 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -12.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F24 | F24-A26 PolarHBondContact O-N 3.19Š|
| 27 | E | 92.6 | Very high | 91.8 | Very high | 75 Ų | 75 | 68.9 Ų | 68.9 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 144.1 | -173.1 | -172.8 | 176.7 | -177.5 | 0 | 0 | 112.1 | K23 F24 R29 | K23-E27 CarbonylContact C-O 3.58Å; K23-E27 VanDerWaalsContact CA-O 3.31Å; K23-E27 WeakPolarHBondContact CA-O 3.37Å; F24-E27 PolarHBondContact N-O 2.75Å; F24-E27 WeakPolarHBondContact O-CB 3.36Å; F24-E27 PolarHBondContact O-N 2.79Å; E27-R29 HydrophobicContact CG-CG 4.47Å; E27-R29 IonicContact OE1-CZ 2.71Å; E27-R29 IonicContact OE1-NE 2.69Å; E27-R29 PolarHBondContact OE1-NE 2.85Å; E27-R29 IonicContact OE1-NH2 3.31Å; E27-R29 PolarHBondContact OE1-NH2 2.82Å |
| 28 | F | 94.5 | Very high | 91.7 | Very high | 105 Ų | 105 | 68 Ų | 68 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.5 | 171.8 | -67 | -89.6 | 0 | 0 | 0 | 111 | K21 S22 K23 | K21-F28 HydrophobicContact CD-CD1 4.39Å; K21-F28 HydrophobicContact CG-CD1 4.19Å; S22-F28 CarbonylContact O-C 3.54Å; S22-F28 WeakPolarHBondContact O-CA 3.19Å; K23-F28 HydrophobicContact CB-CD1 3.76Å; K23-F28 HydrophobicContact CB-CE1 3.62Å; K23-F28 HydrophobicContact CB-CZ 4.4Å; K23-F28 HydrophobicContact CD-CD1 4.43Å; K23-F28 HydrophobicContact CD-CE1 3.55Å; K23-F28 HydrophobicContact CD-CE2 4.41Å; K23-F28 HydrophobicContact CD-CZ 3.54Å; K23-F28 HydrophobicContact CG-CD1 3.89Å; K23-F28 HydrophobicContact CG-CE1 3.5Å; K23-F28 VanDerWaalsContact CG-CE1 3.5Å; K23-F28 HydrophobicContact CG-CE2 4.36Å; K23-F28 HydrophobicContact CG-CZ 3.77Å |
| 29 | R | 95.6 | Very high | 91.6 | Very high | 65 Ų | 65 | 70.1 Ų | 70.1 | 25% | 0.245 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.3 | 173.1 | -64.6 | -172.1 | 178.5 | -116.4 | -2.9 | 110.8 | S22 E27 V51 | S22-R29 PolarHBondContact N-O 3.18Å; S22-R29 PolarHBondContact O-N 2.87Å; E27-R29 HydrophobicContact CG-CG 4.47Å; E27-R29 IonicContact OE1-CZ 2.71Å; E27-R29 IonicContact OE1-NE 2.69Å; E27-R29 PolarHBondContact OE1-NE 2.85Å; E27-R29 IonicContact OE1-NH2 3.31Å; E27-R29 PolarHBondContact OE1-NH2 2.82Å; R29-V51 HydrophobicContact CB-CG1 3.72Å; R29-V51 VanDerWaalsContact CD-CG1 3.46Å; R29-V51 WeakPolarHBondContact CD-O 3.46Å; R29-V51 HydrophobicContact CG-CG1 4.23Å; R29-V51 PolarHBondContact NE-O 3.46Å; R29-V51 PolarHBondContact NH1-O 3.11Å |
| 30 | R | 95.1 | Very high | 91.4 | Very high | 169 Ų | 169 | 73 Ų | 73 | 64% | 0.638 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.6 | 179.1 | -62.3 | -179.7 | 77 | 179 | -0.5 | 110.8 | E19 V20 K21 | E19-R30 IonicContact OE2-NH2 3.1Å; E19-R30 PolarHBondContact OE2-NH2 3.43Å; E19-R30 VanDerWaalsContact OE2-NH2 3.1Å; V20-R30 WeakPolarHBondContact O-CA 3.31Å; K21-R30 HydrophobicContact CB-CG 4.31Å; K21-R30 HydrophobicContact CG-CG 4.36Å |
| 31 | F | 94.3 | Very high | 91.2 | Very high | 41 Ų | 41 | 74.1 Ų | 74.1 | 18% | 0.18 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 171.5 | 174.8 | 59.9 | -86.5 | 0 | 0 | 0 | 109.3 | V20 L33 F44 L47 L48 V51 | V20-F31 WeakPolarHBondContact CA-O 3.06Å; V20-F31 HydrophobicContact CB-CD1 4.3Å; V20-F31 HydrophobicContact CB-CD2 4.13Å; V20-F31 HydrophobicContact CB-CE1 4.11Å; V20-F31 HydrophobicContact CB-CE2 3.93Å; V20-F31 HydrophobicContact CB-CG 4.31Å; V20-F31 HydrophobicContact CB-CZ 3.93Å; V20-F31 WeakPolarHBondContact CB-O 3.39Å; V20-F31 HydrophobicContact CG1-CD1 4.39Å; V20-F31 HydrophobicContact CG1-CE1 3.76Å; V20-F31 HydrophobicContact CG1-CE2 4.08Å; V20-F31 HydrophobicContact CG1-CZ 3.59Å; V20-F31 HydrophobicContact CG2-CD2 4.2Å; V20-F31 HydrophobicContact CG2-CE2 3.88Å; V20-F31 HydrophobicContact CG2-CZ 4.26Å; V20-F31 PolarHBondContact N-O 3.17Å; V20-F31 PolarHBondContact O-N 3.25Å; F31-L33 HydrophobicContact CD2-CD2 4.3Å; F31-L33 HydrophobicContact CD2-CG 4.3Å; F31-L33 HydrophobicContact CE2-CD1 4.31Å; F31-L33 HydrophobicContact CE2-CD2 3.94Å; F31-L33 HydrophobicContact CE2-CG 3.94Å; F31-F44 HydrophobicContact CE2-CE2 4.13Å; F31-F44 AromaticContact CZ-CE2 4Å; F31-F44 HydrophobicContact CZ-CE2 4Å; F31-L47 HydrophobicContact CD2-CD2 4.22Å; F31-L47 HydrophobicContact CE2-CD2 3.78Å; F31-L47 HydrophobicContact CZ-CD2 4.42Å; F31-L48 HydrophobicContact CE1-CD2 4.16Å; F31-L48 HydrophobicContact CZ-CD2 3.9Å; F31-V51 HydrophobicContact CD1-CG1 4.14Å; F31-V51 HydrophobicContact CD1-CG2 4.42Å; F31-V51 HydrophobicContact CE1-CG1 4.33Å |
| 32 | S | 91.9 | Very high | 91 | Very high | 88 Ų | 88 | 76 Ų | 76 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 144.2 | 179.5 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | V18 | V18-S32 CarbonylContact O-C 3.5Å; V18-S32 WeakPolarHBondContact O-CA 3.22Å |
| 33 | L | 91.5 | Very high | 90.8 | Very high | 22 Ų | 22 | 81.6 Ų | 81.6 | 12% | 0.115 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 154.1 | 172.2 | -68.1 | 174.9 | 0 | 0 | 0 | 111.1 | A17 V18 V20 F31 F44 L47 Y79 | A17-L33 CarbonylContact C-O 3.59Å; A17-L33 WeakPolarHBondContact CA-O 3.41Å; V18-L33 HydrophobicContact CB-CB 4.49Å; V18-L33 PolarHBondContact N-O 3.24Å; V18-L33 PolarHBondContact O-N 3.4Å; V20-L33 HydrophobicContact CG2-CB 4.47Å; V20-L33 HydrophobicContact CG2-CD1 3.69Å; V20-L33 HydrophobicContact CG2-CG 3.81Å; F31-L33 HydrophobicContact CD2-CD2 4.3Å; F31-L33 HydrophobicContact CD2-CG 4.3Å; F31-L33 HydrophobicContact CE2-CD1 4.31Å; F31-L33 HydrophobicContact CE2-CD2 3.94Å; F31-L33 HydrophobicContact CE2-CG 3.94Å; L33-F44 HydrophobicContact CD1-CD2 4.04Å; L33-F44 HydrophobicContact CD1-CE2 3.67Å; L33-F44 HydrophobicContact CD1-CZ 4.49Å; L33-F44 HydrophobicContact CD2-CD2 4.47Å; L33-L47 HydrophobicContact CD2-CD2 4.06Å; L33-Y79 HydrophobicContact CD1-CE2 4.46Å |
| 34 | D | 89.2 | Confident | 90.7 | Very high | 72 Ų | 72 | 78.3 Ų | 78.3 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 121.4 | 169.8 | -169.3 | -12.9 | 0 | 0 | 0 | 110.2 | S36 K37 P38 | D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 VanDerWaalsContact CG-OG 3.22Å; D34-S36 PolarHBondContact O-N 2.85Å; D34-S36 WeakPolarHBondContact OD1-CB 3.48Å; D34-S36 PolarHBondContact OD1-N 3.14Å; D34-S36 PolarHBondContact OD1-OG 3.17Å; D34-S36 PolarHBondContact OD2-OG 3.12Å; D34-S36 VanDerWaalsContact OD2-OG 3.11Å; D34-K37 CarbonylContact O-C 3.58Å; D34-P38 WeakPolarHBondContact O-CA 3.48Å |
| 35 | R | 87.7 | Confident | 90.7 | Very high | 79 Ų | 79 | 78.9 Ų | 78.9 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -67 | -31.1 | 176.4 | -173.2 | 171.1 | -70.9 | -156.3 | -5.4 | 112.3 | S16 V18 V83 A86 | S16-R35 WeakPolarHBondContact O-CA 3.4Å; S16-R35 WeakPolarHBondContact O-CB 3.41Å; S16-R35 PolarHBondContact O-N 3.29Å; V18-R35 HydrophobicContact CG2-CB 3.82Å; V18-R35 HydrophobicContact CG2-CG 4.23Å; R35-V83 HydrophobicContact CG-CG1 4.48Å; R35-A86 PolarHBondContact NH2-O 3.14Å |
| 36 | S | 86.3 | Confident | 90.9 | Very high | 81 Ų | 81 | 77.6 Ų | 77.6 | 57% | 0.566 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -75.4 | -29.7 | -175.7 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | D34 | D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 VanDerWaalsContact CG-OG 3.22Å; D34-S36 PolarHBondContact O-N 2.85Å; D34-S36 WeakPolarHBondContact OD1-CB 3.48Å; D34-S36 PolarHBondContact OD1-N 3.14Å; D34-S36 PolarHBondContact OD1-OG 3.17Å; D34-S36 PolarHBondContact OD2-OG 3.12Å; D34-S36 VanDerWaalsContact OD2-OG 3.11Å |
| 37 | K | 85.8 | Confident | 91.2 | Very high | 172 Ų | 172 | 76 Ų | 76 | 75% | 0.748 | 38% | 0.379 | S | S | * | . | trans | -142.3 | 72.5 | -177.8 | -65.6 | -178 | -177 | 177.4 | 0 | 110.6 | D34 G39 | D34-K37 CarbonylContact O-C 3.58Å; K37-G39 PolarHBondContact O-N 3.1Å | ||
| 38 | P | 82.6 | Confident | 91.2 | Very high | 26 Ų | 26 | 72.5 Ų | 72.5 | 17% | 0.169 | 36% | 0.362 | C | S | . | . | trans | -70.6 | -12.7 | -175.3 | 25.9 | -32.9 | 0 | 0 | 0 | 114.6 | D34 Y79 L80 V83 | D34-P38 WeakPolarHBondContact O-CA 3.48Å; P38-Y79 HydrophobicContact CB-CE1 3.84Å; P38-Y79 VanDerWaalsContact O-CE1 3.26Å; P38-Y79 WeakPolarHBondContact O-CE1 3.44Å; P38-Y79 PolarHBondContact O-OH 3.1Å; P38-L80 HydrophobicContact CG-CD1 3.68Å; P38-V83 HydrophobicContact CB-CB 4.46Å; P38-V83 HydrophobicContact CB-CG1 4.15Å; P38-V83 HydrophobicContact CB-CG2 4.13Å | ||
| 39 | G | 88.7 | Confident | 91.1 | Very high | 45 Ų | 45 | 69.3 Ų | 69.3 | 46% | 0.464 | 35% | 0.349 | S | S | . | . | trans | 80.1 | -166.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K37 | K37-G39 PolarHBondContact O-N 3.1Š| ||
| 40 | R | 91.1 | Very high | 91 | Very high | 153 Ų | 153 | 73.3 Ų | 73.3 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | trans | -91.2 | 158.7 | 174.9 | -67.4 | -167.6 | -178.9 | 100 | -3 | 111.8 | D42 E43 F44 | R40-D42 VanDerWaalsContact C-N 3.26Å; R40-D42 PolarHBondContact O-N 3.03Å; R40-E43 PolarHBondContact N-OE2 2.92Å; R40-E43 PolarHBondContact O-N 3.18Å; R40-F44 PolarHBondContact O-N 3.33Å; R40-F44 VanDerWaalsContact O-N 3.16Å | ||
| 41 | F | 91.5 | Very high | 91 | Very high | 23 Ų | 23 | 66.7 Ų | 66.7 | 10% | 0.101 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.4 | -37.9 | 176 | 172.9 | -111.2 | 0 | 0 | 0 | 112 | E43 F44 Y45 I73 D76 | F41-E43 VanDerWaalsContact C-N 3.34Å; F41-E43 PolarHBondContact O-N 2.86Å; F41-F44 HydrophobicContact CD2-CD1 4.34Å; F41-F44 CarbonylContact O-C 3.45Å; F41-F44 PolarHBondContact O-N 2.83Å; F41-Y45 HydrophobicContact CE1-CD2 4.33Å; F41-Y45 HydrophobicContact CE2-CD2 4.41Å; F41-Y45 AromaticContact CZ-CD2 3.79Å; F41-Y45 HydrophobicContact CZ-CD2 3.79Å; F41-Y45 HydrophobicContact CZ-CG 4.4Å; F41-Y45 VanDerWaalsContact O-CB 3.23Å; F41-Y45 WeakPolarHBondContact O-CB 3.45Å; F41-Y45 PolarHBondContact O-N 2.64Å; F41-I73 HydrophobicContact CD2-CG2 3.54Å; F41-I73 HydrophobicContact CE2-CB 4.19Å; F41-I73 HydrophobicContact CE2-CG2 3.46Å; F41-I73 VanDerWaalsContact CE2-CG2 3.46Å; F41-I73 WeakPolarHBondContact CE2-O 3.36Å; F41-I73 WeakPolarHBondContact CZ-O 3.43Å; F41-D76 WeakPolarHBondContact CB-OD1 3.41Å; F41-D76 PolarHBondContact N-OD1 2.99Å |
| 42 | D | 91.2 | Very high | 90.9 | Very high | 120 Ų | 120 | 64.9 Ų | 64.9 | 64% | 0.642 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.8 | -40.8 | 180 | -65 | -29.1 | 0 | 0 | 0 | 112.6 | R40 Y45 G46 | R40-D42 VanDerWaalsContact C-N 3.26Å; R40-D42 PolarHBondContact O-N 3.03Å; D42-Y45 PolarHBondContact O-N 3.11Å; D42-G46 PolarHBondContact O-N 2.92Å |
| 43 | E | 92.4 | Very high | 90.9 | Very high | 117 Ų | 117 | 70.3 Ų | 70.3 | 55% | 0.547 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 176.6 | -64.2 | 170.6 | 173.2 | 0 | 0 | 110.6 | R40 F41 G46 L47 | R40-E43 PolarHBondContact N-OE2 2.92Å; R40-E43 PolarHBondContact O-N 3.18Å; F41-E43 VanDerWaalsContact C-N 3.34Å; F41-E43 PolarHBondContact O-N 2.86Å; E43-G46 PolarHBondContact O-N 3.44Å; E43-L47 PolarHBondContact O-N 2.87Å |
| 44 | F | 93.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.018 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 177 | 176.6 | -114.2 | 0 | 0 | 0 | 112.6 | F31 L33 R40 F41 L47 L48 I73 Y79 L92 | F31-F44 HydrophobicContact CE2-CE2 4.13Å; F31-F44 AromaticContact CZ-CE2 4Å; F31-F44 HydrophobicContact CZ-CE2 4Å; L33-F44 HydrophobicContact CD1-CD2 4.04Å; L33-F44 HydrophobicContact CD1-CE2 3.67Å; L33-F44 HydrophobicContact CD1-CZ 4.49Å; L33-F44 HydrophobicContact CD2-CD2 4.47Å; R40-F44 PolarHBondContact O-N 3.33Å; R40-F44 VanDerWaalsContact O-N 3.16Å; F41-F44 HydrophobicContact CD2-CD1 4.34Å; F41-F44 CarbonylContact O-C 3.45Å; F41-F44 PolarHBondContact O-N 2.83Å; F44-L47 WeakPolarHBondContact O-CB 3.49Å; F44-L47 PolarHBondContact O-N 2.8Å; F44-L48 HydrophobicContact CD1-CD1 4.04Å; F44-L48 HydrophobicContact CE1-CD1 3.58Å; F44-L48 HydrophobicContact CE1-CG 4.22Å; F44-L48 HydrophobicContact CE2-CD1 4.45Å; F44-L48 HydrophobicContact CE2-CD2 4.28Å; F44-L48 HydrophobicContact CE2-CG 4.22Å; F44-L48 HydrophobicContact CZ-CD1 3.83Å; F44-L48 HydrophobicContact CZ-CD2 4.07Å; F44-L48 HydrophobicContact CZ-CG 4.04Å; F44-L48 WeakPolarHBondContact O-CG 3.36Å; F44-L48 PolarHBondContact O-N 3.3Å; F44-I73 HydrophobicContact CE1-CD1 4.47Å; F44-Y79 HydrophobicContact CB-CD2 4.36Å; F44-Y79 HydrophobicContact CB-CE1 4.13Å; F44-Y79 HydrophobicContact CB-CE2 3.82Å; F44-Y79 AromaticContact CD1-CD2 3.46Å; F44-Y79 HydrophobicContact CD1-CD2 3.46Å; F44-Y79 VanDerWaalsContact CD1-CD2 3.46Å; F44-Y79 AromaticContact CD1-CE2 3.34Å; F44-Y79 HydrophobicContact CD1-CE2 3.34Å; F44-Y79 HydrophobicContact CD1-CG 4.35Å; F44-Y79 AromaticContact CD2-CE2 3.67Å; F44-Y79 HydrophobicContact CD2-CE2 3.67Å; F44-Y79 AromaticContact CD2-CZ 3.97Å; F44-Y79 AromaticContact CE1-CD2 3.78Å; F44-Y79 HydrophobicContact CE1-CD2 3.78Å; F44-Y79 AromaticContact CE1-CE2 3.68Å; F44-Y79 HydrophobicContact CE1-CE2 3.68Å; F44-Y79 HydrophobicContact CE2-CE2 4.02Å; F44-Y79 AromaticContact CG-CD2 3.89Å; F44-Y79 HydrophobicContact CG-CD2 3.89Å; F44-Y79 HydrophobicContact CG-CE1 4.5Å; F44-Y79 AromaticContact CG-CE2 3.29Å; F44-Y79 HydrophobicContact CG-CE2 3.29Å; F44-Y79 AromaticContact CG-CZ 3.65Å; F44-Y79 HydrophobicContact CZ-CD2 4.48Å; F44-Y79 AromaticContact CZ-CE2 3.99Å; F44-Y79 HydrophobicContact CZ-CE2 3.99Å; F44-L92 HydrophobicContact CE1-CD1 4.33Å; F44-L92 HydrophobicContact CE2-CD1 4.44Å; F44-L92 HydrophobicContact CZ-CD1 3.54Å |
| 45 | Y | 93 | Very high | 90.5 | Very high | 46 Ų | 46 | 71.3 Ų | 71.3 | 18% | 0.18 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.9 | -177.1 | -88.2 | 0 | 0 | 0 | 111.1 | F41 D42 L47 L48 Q49 V57 E58 L59 V61 | F41-Y45 HydrophobicContact CE1-CD2 4.33Å; F41-Y45 HydrophobicContact CE2-CD2 4.41Å; F41-Y45 AromaticContact CZ-CD2 3.79Å; F41-Y45 HydrophobicContact CZ-CD2 3.79Å; F41-Y45 HydrophobicContact CZ-CG 4.4Å; F41-Y45 VanDerWaalsContact O-CB 3.23Å; F41-Y45 WeakPolarHBondContact O-CB 3.45Å; F41-Y45 PolarHBondContact O-N 2.64Å; D42-Y45 PolarHBondContact O-N 3.11Å; Y45-L47 VanDerWaalsContact C-N 3.33Å; Y45-L47 PolarHBondContact O-N 3.45Å; Y45-L48 PolarHBondContact O-N 2.69Å; Y45-Q49 HydrophobicContact CD1-CG 4.49Å; Y45-Q49 VanDerWaalsContact CE1-CD 3.49Å; Y45-Q49 HydrophobicContact CE1-CG 4.15Å; Y45-Q49 VanDerWaalsContact CE1-NE2 3.29Å; Y45-Q49 PolarHBondContact O-N 2.65Å; Y45-Q49 VanDerWaalsContact O-N 3.1Å; Y45-V57 PolarHBondContact OH-O 2.8Å; Y45-E58 WeakPolarHBondContact OH-CA 3.34Å; Y45-L59 HydrophobicContact CE2-CB 3.97Å; Y45-L59 PolarHBondContact OH-N 2.74Å; Y45-V61 HydrophobicContact CD2-CG2 3.97Å; Y45-V61 HydrophobicContact CE2-CG2 4.13Å |
| 46 | G | 92.6 | Very high | 90.1 | Very high | 32 Ų | 32 | 75.1 Ų | 75.1 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D42 E43 Q49 H50 | D42-G46 PolarHBondContact O-N 2.92Å; E43-G46 PolarHBondContact O-N 3.44Å; G46-Q49 PolarHBondContact O-N 2.79Å; G46-H50 WeakPolarHBondContact O-CB 2.97Å; G46-H50 PolarHBondContact O-N 2.71Å |
| 47 | L | 93.2 | Very high | 90.1 | Very high | 62 Ų | 62 | 73.1 Ų | 73.1 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 173.8 | 178 | 65 | 0 | 0 | 0 | 111.6 | F31 L33 E43 F44 Y45 Q49 H50 V51 | F31-L47 HydrophobicContact CD2-CD2 4.22Å; F31-L47 HydrophobicContact CE2-CD2 3.78Å; F31-L47 HydrophobicContact CZ-CD2 4.42Å; L33-L47 HydrophobicContact CD2-CD2 4.06Å; E43-L47 PolarHBondContact O-N 2.87Å; F44-L47 WeakPolarHBondContact O-CB 3.49Å; F44-L47 PolarHBondContact O-N 2.8Å; Y45-L47 VanDerWaalsContact C-N 3.33Å; Y45-L47 PolarHBondContact O-N 3.45Å; L47-Q49 PolarHBondContact O-N 2.88Å; L47-H50 PolarHBondContact O-N 3.43Å; L47-V51 HydrophobicContact CD1-CG2 3.83Å; L47-V51 HydrophobicContact CG-CG2 4.16Å; L47-V51 WeakPolarHBondContact O-CB 3.04Å; L47-V51 VanDerWaalsContact O-CG2 3.25Å; L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 2.74Å |
| 48 | L | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 177.5 | -71.3 | 171 | 0 | 0 | 0 | 111.9 | F31 F44 Y45 H52 V61 L92 L94 | F31-L48 HydrophobicContact CE1-CD2 4.16Å; F31-L48 HydrophobicContact CZ-CD2 3.9Å; F44-L48 HydrophobicContact CD1-CD1 4.04Å; F44-L48 HydrophobicContact CE1-CD1 3.58Å; F44-L48 HydrophobicContact CE1-CG 4.22Å; F44-L48 HydrophobicContact CE2-CD1 4.45Å; F44-L48 HydrophobicContact CE2-CD2 4.28Å; F44-L48 HydrophobicContact CE2-CG 4.22Å; F44-L48 HydrophobicContact CZ-CD1 3.83Å; F44-L48 HydrophobicContact CZ-CD2 4.07Å; F44-L48 HydrophobicContact CZ-CG 4.04Å; F44-L48 WeakPolarHBondContact O-CG 3.36Å; F44-L48 PolarHBondContact O-N 3.3Å; Y45-L48 PolarHBondContact O-N 2.69Å; L48-H52 PolarHBondContact O-CD2 2.84Å; L48-H52 PolarHBondContact O-N 3.01Å; L48-V61 HydrophobicContact CD1-CG1 3.9Å; L48-V61 HydrophobicContact CD1-CG2 4.02Å; L48-L92 HydrophobicContact CD2-CD1 3.9Å; L48-L94 HydrophobicContact CB-CD1 4.35Å; L48-L94 HydrophobicContact CD1-CD2 3.95Å; L48-L94 HydrophobicContact CD2-CD1 4.31Å |
| 49 | Q | 92.7 | Very high | 90.3 | Very high | 38 Ų | 38 | 69.9 Ų | 69.9 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 175.8 | -71 | 179.8 | -35.8 | 0 | 0 | 112 | Y45 G46 L47 R53 I54 V57 L59 | Y45-Q49 HydrophobicContact CD1-CG 4.49Å; Y45-Q49 VanDerWaalsContact CE1-CD 3.49Å; Y45-Q49 HydrophobicContact CE1-CG 4.15Å; Y45-Q49 VanDerWaalsContact CE1-NE2 3.29Å; Y45-Q49 PolarHBondContact O-N 2.65Å; Y45-Q49 VanDerWaalsContact O-N 3.1Å; G46-Q49 PolarHBondContact O-N 2.79Å; L47-Q49 PolarHBondContact O-N 2.88Å; Q49-R53 PolarHBondContact O-N 3.41Å; Q49-R53 VanDerWaalsContact O-N 3.1Å; Q49-I54 PolarHBondContact O-N 2.85Å; Q49-V57 PolarHBondContact NE2-O 3.41Å; Q49-L59 HydrophobicContact CG-CD1 3.91Å |
| 50 | H | 93.2 | Very high | 90.4 | Very high | 149 Ų | 149 | 68.8 Ų | 68.8 | 69% | 0.69 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.9 | -48.9 | 177.8 | -177.4 | 78.5 | 0 | 0 | 0 | 111.8 | G46 L47 H52 R53 | G46-H50 WeakPolarHBondContact O-CB 2.97Å; G46-H50 PolarHBondContact O-N 2.71Å; L47-H50 PolarHBondContact O-N 3.43Å; H50-H52 VanDerWaalsContact C-N 3.34Å; H50-H52 PolarHBondContact O-N 2.88Å; H50-R53 PolarHBondContact O-N 2.86Å; H50-R53 VanDerWaalsContact O-N 3.08Å |
| 51 | V | 94.1 | Very high | 90.4 | Very high | 30 Ų | 30 | 61.7 Ų | 61.7 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.7 | -45.1 | -179.3 | 166.5 | 0 | 0 | 0 | 0 | 110.4 | R29 F31 L47 R53 | R29-V51 HydrophobicContact CB-CG1 3.72Å; R29-V51 VanDerWaalsContact CD-CG1 3.46Å; R29-V51 WeakPolarHBondContact CD-O 3.46Å; R29-V51 HydrophobicContact CG-CG1 4.23Å; R29-V51 PolarHBondContact NE-O 3.46Å; R29-V51 PolarHBondContact NH1-O 3.11Å; F31-V51 HydrophobicContact CD1-CG1 4.14Å; F31-V51 HydrophobicContact CD1-CG2 4.42Å; F31-V51 HydrophobicContact CE1-CG1 4.33Å; L47-V51 HydrophobicContact CD1-CG2 3.83Å; L47-V51 HydrophobicContact CG-CG2 4.16Å; L47-V51 WeakPolarHBondContact O-CB 3.04Å; L47-V51 VanDerWaalsContact O-CG2 3.25Å; L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 2.74Å; V51-R53 VanDerWaalsContact C-N 3.29Å; V51-R53 PolarHBondContact O-N 2.74Å |
| 52 | H | 93.3 | Very high | 90.4 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.019 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 2.2 | 178.2 | -75.1 | -81.7 | 0 | 0 | 0 | 114.8 | S22 L48 H50 I54 L94 | S22-H52 WeakPolarHBondContact CB-NE2 3.41Å; S22-H52 PolarHBondContact O-CE1 3.25Å; S22-H52 PolarHBondContact OG-NE2 2.92Å; L48-H52 PolarHBondContact O-CD2 2.84Å; L48-H52 PolarHBondContact O-N 3.01Å; H50-H52 VanDerWaalsContact C-N 3.34Å; H50-H52 PolarHBondContact O-N 2.88Å; H52-I54 HydrophobicContact CB-CD1 3.66Å; H52-I54 HydrophobicContact CB-CG1 3.72Å; H52-I54 PolarHBondContact O-N 3.29Å; H52-L94 WeakPolarHBondContact CD2-CD1 3.38Å; H52-L94 WeakPolarHBondContact NE2-CD1 3.38Å |
| 53 | R | 92 | Very high | 90.5 | Very high | 202 Ų | 202 | 55 Ų | 55 | 76% | 0.762 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 37.8 | -178.3 | -55.2 | -177.7 | 178.1 | 178 | 1.7 | 113.4 | Q49 H50 V51 P55 | Q49-R53 PolarHBondContact O-N 3.41Å; Q49-R53 VanDerWaalsContact O-N 3.1Å; H50-R53 PolarHBondContact O-N 2.86Å; H50-R53 VanDerWaalsContact O-N 3.08Å; V51-R53 VanDerWaalsContact C-N 3.29Å; V51-R53 PolarHBondContact O-N 2.74Å; R53-P55 VanDerWaalsContact O-CD 3.25Å; R53-P55 WeakPolarHBondContact O-CD 3.25Å |
| 54 | I | 88.9 | Confident | 90.5 | Very high | 26 Ų | 26 | 50 Ų | 50 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | trans | -119.5 | 61.4 | -179.8 | 52.1 | -177.1 | 0 | 0 | 0 | 111.3 | F24 Q49 H52 V57 L59 | F24-I54 HydrophobicContact CD1-CD1 3.89Å; F24-I54 HydrophobicContact CD1-CG2 4.46Å; F24-I54 HydrophobicContact CD2-CD1 4.04Å; F24-I54 HydrophobicContact CE1-CD1 3.76Å; F24-I54 HydrophobicContact CE1-CG2 3.83Å; F24-I54 HydrophobicContact CE2-CD1 3.92Å; F24-I54 HydrophobicContact CG-CD1 4.03Å; F24-I54 HydrophobicContact CZ-CD1 3.77Å; F24-I54 HydrophobicContact CZ-CG2 4.35Å; Q49-I54 PolarHBondContact O-N 2.85Å; H52-I54 HydrophobicContact CB-CD1 3.66Å; H52-I54 HydrophobicContact CB-CG1 3.72Å; H52-I54 PolarHBondContact O-N 3.29Å; I54-V57 HydrophobicContact CB-CB 4.48Å; I54-V57 HydrophobicContact CB-CG2 4.21Å; I54-L59 HydrophobicContact CD1-CD1 3.72Å; I54-L59 HydrophobicContact CD1-CD2 3.9Å; I54-L59 HydrophobicContact CD1-CG 4.39Å; I54-L59 HydrophobicContact CG1-CD1 4.34Å | ||
| 55 | P | 81.9 | Confident | 90.3 | Very high | 89 Ų | 89 | 51.3 Ų | 51.3 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 142.3 | 176.8 | 29.7 | -34.4 | 0 | 0 | 0 | 110.1 | R53 V57 | R53-P55 VanDerWaalsContact O-CD 3.25Å; R53-P55 WeakPolarHBondContact O-CD 3.25Å; P55-V57 VanDerWaalsContact C-N 3.33Å; P55-V57 PolarHBondContact O-N 3.02Å |
| 56 | N | 80.9 | Confident | 90 | Very high | 159 Ų | 159 | 53.9 Ų | 53.9 | 85% | 0.85 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 15.3 | 176.1 | -46.6 | -45.7 | 0 | 0 | 0 | 116.7 | ||
| 57 | V | 84.6 | Confident | 89.6 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | trans | -96.6 | 128.1 | 172.4 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | Y45 Q49 I54 P55 L59 R96 | Y45-V57 PolarHBondContact OH-O 2.8Å; Q49-V57 PolarHBondContact NE2-O 3.41Å; I54-V57 HydrophobicContact CB-CB 4.48Å; I54-V57 HydrophobicContact CB-CG2 4.21Å; P55-V57 VanDerWaalsContact C-N 3.33Å; P55-V57 PolarHBondContact O-N 3.02Å; V57-L59 HydrophobicContact CB-CD2 4.48Å; V57-L59 HydrophobicContact CG1-CD2 3.84Å; V57-L59 HydrophobicContact CG1-CG 4.41Å; V57-L59 PolarHBondContact O-N 2.71Å; V57-R96 HydrophobicContact CG1-CB 4.44Å; V57-R96 HydrophobicContact CG1-CG 3.73Å | ||
| 58 | E | 85.3 | Confident | 89.1 | Confident | 117 Ų | 117 | 57 Ų | 57 | 55% | 0.547 | 29% | 0.29 | S | S | . | . | trans | -74 | 119.2 | 170.2 | -74.1 | -166.6 | -164.1 | 0 | 0 | 110.1 | Y45 K97 | Y45-E58 WeakPolarHBondContact OH-CA 3.34Å; E58-K97 HydrophobicContact CB-CB 3.97Å; E58-K97 HydrophobicContact CB-CD 4.06Å; E58-K97 WeakPolarHBondContact O-CB 3.47Å; E58-K97 PolarHBondContact O-N 2.87Å; E58-K97 WeakPolarHBondContact OE2-CD 3.36Å; E58-K97 WeakPolarHBondContact OE2-CE 2.9Å; E58-K97 IonicContact OE2-NZ 2.65Å; E58-K97 PolarHBondContact OE2-NZ 3.42Å | ||
| 59 | L | 88.9 | Confident | 88.7 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139 | -174.7 | -60.6 | 170.4 | 0 | 0 | 0 | 110.7 | F24 Y45 Q49 I54 V57 Q95 | F24-L59 HydrophobicContact CD2-CD2 4.2Å; F24-L59 HydrophobicContact CE2-CD2 3.64Å; F24-L59 HydrophobicContact CZ-CD2 4.4Å; Y45-L59 HydrophobicContact CE2-CB 3.97Å; Y45-L59 PolarHBondContact OH-N 2.74Å; Q49-L59 HydrophobicContact CG-CD1 3.91Å; I54-L59 HydrophobicContact CD1-CD1 3.72Å; I54-L59 HydrophobicContact CD1-CD2 3.9Å; I54-L59 HydrophobicContact CD1-CG 4.39Å; I54-L59 HydrophobicContact CG1-CD1 4.34Å; V57-L59 HydrophobicContact CB-CD2 4.48Å; V57-L59 HydrophobicContact CG1-CD2 3.84Å; V57-L59 HydrophobicContact CG1-CG 4.41Å; V57-L59 PolarHBondContact O-N 2.71Å; L59-Q95 CarbonylContact C-O 3.58Å; L59-Q95 WeakPolarHBondContact CA-O 3.39Å |
| 60 | L | 89.2 | Confident | 88.5 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 12% | 0.115 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.4 | 157.3 | -64 | -179.4 | 0 | 0 | 0 | 108 | L94 Q95 A100 F105 | L60-L94 WeakPolarHBondContact O-CA 3.48Å; L60-Q95 PolarHBondContact N-O 2.83Å; L60-Q95 PolarHBondContact O-N 2.77Å; L60-A100 HydrophobicContact CD1-CB 3.37Å; L60-A100 HydrophobicContact CG-CB 4.39Å; L60-F105 HydrophobicContact CB-CE2 4.41Å; L60-F105 HydrophobicContact CB-CZ 4.01Å; L60-F105 HydrophobicContact CD1-CD2 4.42Å; L60-F105 HydrophobicContact CD1-CE2 3.88Å; L60-F105 HydrophobicContact CD1-CZ 4.3Å |
| 61 | V | 92.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.3 | 177.9 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | Y45 L48 P72 I73 L94 | Y45-V61 HydrophobicContact CD2-CG2 3.97Å; Y45-V61 HydrophobicContact CE2-CG2 4.13Å; L48-V61 HydrophobicContact CD1-CG1 3.9Å; L48-V61 HydrophobicContact CD1-CG2 4.02Å; V61-P72 CarbonylContact O-C 3.11Å; V61-P72 WeakPolarHBondContact O-CA 3.47Å; V61-I73 HydrophobicContact CB-CB 4.2Å; V61-I73 HydrophobicContact CG1-CB 3.98Å; V61-I73 HydrophobicContact CG1-CD1 4.11Å; V61-I73 HydrophobicContact CG1-CG1 4.28Å; V61-I73 PolarHBondContact O-N 2.94Å; V61-L94 HydrophobicContact CB-CD2 4.14Å; V61-L94 HydrophobicContact CG1-CD2 3.81Å; V61-L94 HydrophobicContact CG2-CD2 3.86Å |
| 62 | A | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 158.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L71 L92 F93 F105 | A62-L71 CarbonylContact C-O 3.54Å; A62-L71 WeakPolarHBondContact CA-O 3.25Å; A62-L71 VanDerWaalsContact CB-O 3.25Å; A62-L71 WeakPolarHBondContact CB-O 3.14Å; A62-L92 CarbonylContact O-C 3.59Å; A62-L92 VanDerWaalsContact O-CA 3.22Å; A62-L92 WeakPolarHBondContact O-CA 3.26Å; A62-F93 PolarHBondContact N-O 3.49Å; A62-F93 PolarHBondContact O-N 2.78Å; A62-F105 HydrophobicContact CB-CD1 4.05Å; A62-F105 HydrophobicContact CB-CE1 3.44Å; A62-F105 VanDerWaalsContact CB-CE1 3.44Å; A62-F105 HydrophobicContact CB-CZ 4.49Å |
| 63 | Y | 93.7 | Very high | 88.1 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151.9 | 166.3 | 72.5 | -72.8 | 0 | 0 | 0 | 111.5 | D65 L70 L71 I73 A82 L90 R91 | Y63-D65 HydrophobicContact CE2-CB 4.1Å; Y63-L70 WeakPolarHBondContact O-CA 3.24Å; Y63-L71 HydrophobicContact CD1-CB 3.97Å; Y63-L71 VanDerWaalsContact CD1-O 3.24Å; Y63-L71 WeakPolarHBondContact CD1-O 3.43Å; Y63-L71 HydrophobicContact CE1-CB 3.48Å; Y63-L71 VanDerWaalsContact CE1-CB 3.48Å; Y63-L71 HydrophobicContact CE1-CD1 4.3Å; Y63-L71 HydrophobicContact CE2-CD1 4.33Å; Y63-L71 PolarHBondContact N-O 3.15Å; Y63-L71 PolarHBondContact O-N 2.87Å; Y63-L71 WeakPolarHBondContact OH-CD1 3.31Å; Y63-I73 HydrophobicContact CD1-CD1 3.92Å; Y63-I73 HydrophobicContact CD1-CG1 3.52Å; Y63-I73 HydrophobicContact CE1-CG1 4.21Å; Y63-I73 HydrophobicContact CG-CD1 4.34Å; Y63-I73 HydrophobicContact CG-CG1 4.38Å; Y63-A82 HydrophobicContact CD1-CB 3.61Å; Y63-A82 HydrophobicContact CD2-CB 3.83Å; Y63-A82 HydrophobicContact CE1-CB 3.78Å; Y63-A82 HydrophobicContact CE2-CB 4.01Å; Y63-A82 HydrophobicContact CG-CB 3.62Å; Y63-L90 HydrophobicContact CD2-CD1 4.3Å; Y63-L90 HydrophobicContact CG-CD1 4.31Å; Y63-R91 CarbonylContact C-O 3.58Å; Y63-R91 WeakPolarHBondContact CA-O 3.23Å |
| 64 | A | 92.2 | Very high | 87.9 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | D69 L70 R91 F93 L110 | A64-D69 WeakPolarHBondContact CA-O 3.42Å; A64-L70 HydrophobicContact CB-CD2 4.19Å; A64-R91 HydrophobicContact CB-CB 4.24Å; A64-R91 PolarHBondContact N-O 3.31Å; A64-F93 HydrophobicContact CB-CE2 4.16Å; A64-L110 HydrophobicContact CB-CD1 4.02Å |
| 65 | D | 89.1 | Confident | 87.8 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 17% | 0.166 | 26% | 0.263 | C | S | . | . | trans | -70 | 172.6 | 174 | -166.4 | 16.2 | 0 | 0 | 0 | 111.4 | Y63 H67 G68 D69 L71 | Y63-D65 HydrophobicContact CE2-CB 4.1Å; D65-H67 PolarHBondContact O-N 3.35Å; D65-H67 VanDerWaalsContact O-N 3.1Å; D65-H67 IonicContact OD2-CD2 3.63Å; D65-G68 WeakPolarHBondContact O-CA 3.4Å; D65-G68 PolarHBondContact O-N 2.75Å; D65-D69 PolarHBondContact N-O 2.88Å; D65-L71 HydrophobicContact CB-CD1 3.96Å | ||
| 66 | V | 86 | Confident | 88.2 | Confident | 100 Ų | 100 | 47 Ų | 47 | 61% | 0.606 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.8 | 175.3 | -59.9 | 0 | 0 | 0 | 0 | 113 | S85 | V66-S85 WeakPolarHBondContact CG1-O 3.31Š|
| 67 | H | 85.3 | Confident | 88.5 | Confident | 144 Ų | 144 | 43.8 Ų | 43.8 | 67% | 0.667 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -6.8 | 176.2 | -58.7 | -61.7 | 0 | 0 | 0 | 113.6 | D65 | D65-H67 PolarHBondContact O-N 3.35Å; D65-H67 VanDerWaalsContact O-N 3.1Å; D65-H67 IonicContact OD2-CD2 3.63Å |
| 68 | G | 82.2 | Confident | 88.7 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 85 | 8.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | D65 | D65-G68 WeakPolarHBondContact O-CA 3.4Å; D65-G68 PolarHBondContact O-N 2.75Å |
| 69 | D | 86.1 | Confident | 89.1 | Confident | 74 Ų | 74 | 38 Ų | 38 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | B | Isolated β-bridge | trans | -80.4 | 137.1 | 176.2 | -63.8 | -37.9 | 0 | 0 | 0 | 111.1 | A64 D65 L71 | A64-D69 WeakPolarHBondContact CA-O 3.42Å; D65-D69 PolarHBondContact N-O 2.88Å; D69-L71 PolarHBondContact O-N 3.08Å |
| 70 | L | 88.6 | Confident | 89.2 | Confident | 32 Ų | 32 | 40.2 Ų | 40.2 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 106.6 | 176.3 | -70.1 | 176.7 | 0 | 0 | 0 | 110.5 | Y63 A64 F93 L110 | Y63-L70 WeakPolarHBondContact O-CA 3.24Å; A64-L70 HydrophobicContact CB-CD2 4.19Å; L70-F93 HydrophobicContact CD2-CD2 3.35Å; L70-F93 HydrophobicContact CD2-CE2 3.48Å; L70-F93 VanDerWaalsContact CD2-CE2 3.48Å; L70-F93 HydrophobicContact CD2-CG 4.09Å; L70-F93 HydrophobicContact CD2-CZ 4.29Å; L70-L110 HydrophobicContact CD1-CD2 4.2Å; L70-L110 HydrophobicContact CD2-CD2 4.08Å; L70-L110 HydrophobicContact CG-CD2 4.22Å |
| 71 | L | 88.8 | Confident | 89.3 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 29% | 0.293 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134 | -178.6 | -61.8 | -179.6 | 0 | 0 | 0 | 110.7 | A62 Y63 D65 D69 | A62-L71 CarbonylContact C-O 3.54Å; A62-L71 WeakPolarHBondContact CA-O 3.25Å; A62-L71 VanDerWaalsContact CB-O 3.25Å; A62-L71 WeakPolarHBondContact CB-O 3.14Å; Y63-L71 HydrophobicContact CD1-CB 3.97Å; Y63-L71 VanDerWaalsContact CD1-O 3.24Å; Y63-L71 WeakPolarHBondContact CD1-O 3.43Å; Y63-L71 HydrophobicContact CE1-CB 3.48Å; Y63-L71 VanDerWaalsContact CE1-CB 3.48Å; Y63-L71 HydrophobicContact CE1-CD1 4.3Å; Y63-L71 HydrophobicContact CE2-CD1 4.33Å; Y63-L71 PolarHBondContact N-O 3.15Å; Y63-L71 PolarHBondContact O-N 2.87Å; Y63-L71 WeakPolarHBondContact OH-CD1 3.31Å; D65-L71 HydrophobicContact CB-CD1 3.96Å; D69-L71 PolarHBondContact O-N 3.08Å |
| 72 | P | 90.4 | Very high | 89.3 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 25% | 0.253 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 141.4 | 179.5 | 29 | -34.3 | 0 | 0 | 0 | 111.6 | V61 | V61-P72 CarbonylContact O-C 3.11Å; V61-P72 WeakPolarHBondContact O-CA 3.47Å |
| 73 | I | 91.2 | Very high | 89.3 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 106.2 | 165.2 | -51.2 | -175 | 0 | 0 | 0 | 107.3 | F41 F44 V61 Y63 Y79 A82 L92 | F41-I73 HydrophobicContact CD2-CG2 3.54Å; F41-I73 HydrophobicContact CE2-CB 4.19Å; F41-I73 HydrophobicContact CE2-CG2 3.46Å; F41-I73 VanDerWaalsContact CE2-CG2 3.46Å; F41-I73 WeakPolarHBondContact CE2-O 3.36Å; F41-I73 WeakPolarHBondContact CZ-O 3.43Å; F44-I73 HydrophobicContact CE1-CD1 4.47Å; V61-I73 HydrophobicContact CB-CB 4.2Å; V61-I73 HydrophobicContact CG1-CB 3.98Å; V61-I73 HydrophobicContact CG1-CD1 4.11Å; V61-I73 HydrophobicContact CG1-CG1 4.28Å; V61-I73 PolarHBondContact O-N 2.94Å; Y63-I73 HydrophobicContact CD1-CD1 3.92Å; Y63-I73 HydrophobicContact CD1-CG1 3.52Å; Y63-I73 HydrophobicContact CE1-CG1 4.21Å; Y63-I73 HydrophobicContact CG-CD1 4.34Å; Y63-I73 HydrophobicContact CG-CG1 4.38Å; I73-Y79 HydrophobicContact CG2-CD2 4.47Å; I73-A82 HydrophobicContact CD1-CB 3.64Å; I73-A82 HydrophobicContact CG1-CB 4.23Å; I73-L92 HydrophobicContact CD1-CD2 3.74Å |
| 74 | N | 88.1 | Confident | 89.1 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | trans | -138.4 | 5.2 | -174.6 | 60.2 | 15.3 | 0 | 0 | 0 | 113.7 | N78 P139 K140 D141 | N74-N78 PolarHBondContact OD1-ND2 2.83Å; N74-P139 PolarHBondContact ND2-O 3.43Å; N74-K140 WeakPolarHBondContact ND2-CA 3.37Å; N74-D141 PolarHBondContact OD1-N 2.98Å | ||
| 75 | N | 87.8 | Confident | 89 | Confident | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -156.3 | 172.3 | 175.1 | 65.7 | 11.7 | 0 | 0 | 0 | 110.2 | D77 N78 Y79 D141 F142 | N75-D77 VanDerWaalsContact C-N 3.33Å; N75-D77 PolarHBondContact O-N 3.34Å; N75-D77 PolarHBondContact OD1-N 3.49Å; N75-N78 PolarHBondContact O-N 3.05Å; N75-N78 WeakPolarHBondContact OD1-CB 3.45Å; N75-N78 PolarHBondContact OD1-N 2.97Å; N75-N78 PolarHBondContact OD1-ND2 3.28Å; N75-N78 VanDerWaalsContact OD1-ND2 3.13Å; N75-Y79 WeakPolarHBondContact O-CB 3.38Å; N75-Y79 PolarHBondContact O-N 2.96Å; N75-Y79 VanDerWaalsContact O-N 3.07Å; N75-D141 HydrophobicContact CB-CB 4.34Å; N75-D141 VanDerWaalsContact CB-OD1 3.31Å; N75-D141 WeakPolarHBondContact CB-OD1 3.26Å; N75-D141 WeakPolarHBondContact ND2-CA 3.36Å; N75-D141 PolarHBondContact ND2-OD1 3.5Å; N75-F142 PolarHBondContact ND2-O 2.78Å |
| 76 | D | 89.3 | Confident | 89 | Confident | 75 Ų | 75 | 50.8 Ų | 50.8 | 40% | 0.401 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | -179.6 | -73 | -14.7 | 0 | 0 | 0 | 112.7 | F41 Y79 L80 | F41-D76 WeakPolarHBondContact CB-OD1 3.41Å; F41-D76 PolarHBondContact N-OD1 2.99Å; D76-Y79 PolarHBondContact O-N 3.48Å; D76-L80 WeakPolarHBondContact O-CB 3.4Å; D76-L80 PolarHBondContact O-N 3.23Å |
| 77 | D | 87 | Confident | 88.8 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 49% | 0.492 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.2 | -44.5 | -178.5 | -70.6 | -37.6 | 0 | 0 | 0 | 112.1 | N75 Y79 L80 K81 | N75-D77 VanDerWaalsContact C-N 3.33Å; N75-D77 PolarHBondContact O-N 3.34Å; N75-D77 PolarHBondContact OD1-N 3.49Å; D77-Y79 VanDerWaalsContact C-N 3.32Å; D77-L80 PolarHBondContact O-N 2.93Å; D77-K81 VanDerWaalsContact O-CB 3.31Å; D77-K81 WeakPolarHBondContact O-CB 3.44Å; D77-K81 PolarHBondContact O-N 3.1Å |
| 78 | N | 90.5 | Very high | 88.6 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 176.6 | -71.1 | -24.5 | 0 | 0 | 0 | 110.7 | N74 N75 K81 A82 | N74-N78 PolarHBondContact OD1-ND2 2.83Å; N75-N78 PolarHBondContact O-N 3.05Å; N75-N78 WeakPolarHBondContact OD1-CB 3.45Å; N75-N78 PolarHBondContact OD1-N 2.97Å; N75-N78 PolarHBondContact OD1-ND2 3.28Å; N75-N78 VanDerWaalsContact OD1-ND2 3.13Å; N78-K81 PolarHBondContact O-N 2.65Å; N78-A82 WeakPolarHBondContact O-CB 3.25Å; N78-A82 PolarHBondContact O-N 3.02Å |
| 79 | Y | 92.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -49.9 | 173.6 | 172.1 | -123.2 | 0 | 0 | 0 | 111.4 | L33 P38 F44 I73 N75 D76 D77 K81 A82 V83 | L33-Y79 HydrophobicContact CD1-CE2 4.46Å; P38-Y79 HydrophobicContact CB-CE1 3.84Å; P38-Y79 VanDerWaalsContact O-CE1 3.26Å; P38-Y79 WeakPolarHBondContact O-CE1 3.44Å; P38-Y79 PolarHBondContact O-OH 3.1Å; F44-Y79 HydrophobicContact CB-CD2 4.36Å; F44-Y79 HydrophobicContact CB-CE1 4.13Å; F44-Y79 HydrophobicContact CB-CE2 3.82Å; F44-Y79 AromaticContact CD1-CD2 3.46Å; F44-Y79 HydrophobicContact CD1-CD2 3.46Å; F44-Y79 VanDerWaalsContact CD1-CD2 3.46Å; F44-Y79 AromaticContact CD1-CE2 3.34Å; F44-Y79 HydrophobicContact CD1-CE2 3.34Å; F44-Y79 HydrophobicContact CD1-CG 4.35Å; F44-Y79 AromaticContact CD2-CE2 3.67Å; F44-Y79 HydrophobicContact CD2-CE2 3.67Å; F44-Y79 AromaticContact CD2-CZ 3.97Å; F44-Y79 AromaticContact CE1-CD2 3.78Å; F44-Y79 HydrophobicContact CE1-CD2 3.78Å; F44-Y79 AromaticContact CE1-CE2 3.68Å; F44-Y79 HydrophobicContact CE1-CE2 3.68Å; F44-Y79 HydrophobicContact CE2-CE2 4.02Å; F44-Y79 AromaticContact CG-CD2 3.89Å; F44-Y79 HydrophobicContact CG-CD2 3.89Å; F44-Y79 HydrophobicContact CG-CE1 4.5Å; F44-Y79 AromaticContact CG-CE2 3.29Å; F44-Y79 HydrophobicContact CG-CE2 3.29Å; F44-Y79 AromaticContact CG-CZ 3.65Å; F44-Y79 HydrophobicContact CZ-CD2 4.48Å; F44-Y79 AromaticContact CZ-CE2 3.99Å; F44-Y79 HydrophobicContact CZ-CE2 3.99Å; I73-Y79 HydrophobicContact CG2-CD2 4.47Å; N75-Y79 WeakPolarHBondContact O-CB 3.38Å; N75-Y79 PolarHBondContact O-N 2.96Å; N75-Y79 VanDerWaalsContact O-N 3.07Å; D76-Y79 PolarHBondContact O-N 3.48Å; D77-Y79 VanDerWaalsContact C-N 3.32Å; Y79-K81 VanDerWaalsContact C-N 3.27Å; Y79-K81 PolarHBondContact O-N 3.36Å; Y79-A82 WeakPolarHBondContact O-CB 3.42Å; Y79-A82 PolarHBondContact O-N 2.89Å; Y79-A82 VanDerWaalsContact O-N 3.15Å; Y79-V83 HydrophobicContact CD2-CG2 4.08Å; Y79-V83 HydrophobicContact CE2-CG2 3.59Å; Y79-V83 WeakPolarHBondContact O-CG2 3.11Å; Y79-V83 PolarHBondContact O-N 3.01Å |
| 80 | L | 91.1 | Very high | 89.3 | Confident | 59 Ų | 59 | 46.7 Ų | 46.7 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 177.9 | -175.1 | 63.2 | 0 | 0 | 0 | 111.6 | P38 D76 D77 V83 K84 | P38-L80 HydrophobicContact CG-CD1 3.68Å; D76-L80 WeakPolarHBondContact O-CB 3.4Å; D76-L80 PolarHBondContact O-N 3.23Å; D77-L80 PolarHBondContact O-N 2.93Å; L80-V83 PolarHBondContact O-N 3.08Å; L80-K84 HydrophobicContact CD1-CD 4.46Å; L80-K84 HydrophobicContact CG-CD 4.13Å; L80-K84 WeakPolarHBondContact O-CB 3.42Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.47Å; L80-K84 PolarHBondContact O-N 3.19Å |
| 81 | K | 90.6 | Very high | 89.6 | Confident | 120 Ų | 120 | 51.2 Ų | 51.2 | 52% | 0.522 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 175.8 | -169.5 | 175.4 | -179.7 | -174.5 | 0 | 111.8 | D77 N78 Y79 K84 S85 | D77-K81 VanDerWaalsContact O-CB 3.31Å; D77-K81 WeakPolarHBondContact O-CB 3.44Å; D77-K81 PolarHBondContact O-N 3.1Å; N78-K81 PolarHBondContact O-N 2.65Å; Y79-K81 VanDerWaalsContact C-N 3.27Å; Y79-K81 PolarHBondContact O-N 3.36Å; K81-K84 PolarHBondContact O-N 3.49Å; K81-S85 VanDerWaalsContact O-CB 3.31Å; K81-S85 WeakPolarHBondContact O-CB 3.34Å; K81-S85 PolarHBondContact O-N 3.23Å; K81-S85 PolarHBondContact O-OG 3.48Å |
| 82 | A | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -45.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y63 I73 N78 Y79 K84 S85 A86 L90 | Y63-A82 HydrophobicContact CD1-CB 3.61Å; Y63-A82 HydrophobicContact CD2-CB 3.83Å; Y63-A82 HydrophobicContact CE1-CB 3.78Å; Y63-A82 HydrophobicContact CE2-CB 4.01Å; Y63-A82 HydrophobicContact CG-CB 3.62Å; I73-A82 HydrophobicContact CD1-CB 3.64Å; I73-A82 HydrophobicContact CG1-CB 4.23Å; N78-A82 WeakPolarHBondContact O-CB 3.25Å; N78-A82 PolarHBondContact O-N 3.02Å; Y79-A82 WeakPolarHBondContact O-CB 3.42Å; Y79-A82 PolarHBondContact O-N 2.89Å; Y79-A82 VanDerWaalsContact O-N 3.15Å; A82-K84 PolarHBondContact O-N 3.48Å; A82-S85 WeakPolarHBondContact CA-OG 3.1Å; A82-S85 PolarHBondContact O-OG 2.78Å; A82-S85 VanDerWaalsContact O-OG 3.08Å; A82-A86 WeakPolarHBondContact O-CB 3.39Å; A82-A86 PolarHBondContact O-N 3.42Å; A82-A86 VanDerWaalsContact O-N 3.11Å; A82-L90 HydrophobicContact CB-CD1 4.02Å |
| 83 | V | 92.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.3 | -40 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | V18 R35 P38 Y79 L80 L90 | V18-V83 HydrophobicContact CG2-CG1 3.85Å; R35-V83 HydrophobicContact CG-CG1 4.48Å; P38-V83 HydrophobicContact CB-CB 4.46Å; P38-V83 HydrophobicContact CB-CG1 4.15Å; P38-V83 HydrophobicContact CB-CG2 4.13Å; Y79-V83 HydrophobicContact CD2-CG2 4.08Å; Y79-V83 HydrophobicContact CE2-CG2 3.59Å; Y79-V83 WeakPolarHBondContact O-CG2 3.11Å; Y79-V83 PolarHBondContact O-N 3.01Å; L80-V83 PolarHBondContact O-N 3.08Å; V83-L90 HydrophobicContact CG2-CD2 4.42Å |
| 84 | K | 90.3 | Very high | 90.1 | Very high | 138 Ų | 138 | 49.7 Ų | 49.7 | 60% | 0.6 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -70.3 | -38 | 178.9 | -76.6 | 175.5 | 178.4 | 175.4 | 0 | 113.3 | L80 K81 A82 | L80-K84 HydrophobicContact CD1-CD 4.46Å; L80-K84 HydrophobicContact CG-CD 4.13Å; L80-K84 WeakPolarHBondContact O-CB 3.42Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.47Å; L80-K84 PolarHBondContact O-N 3.19Å; K81-K84 PolarHBondContact O-N 3.49Å; A82-K84 PolarHBondContact O-N 3.48Å |
| 85 | S | 89.6 | Confident | 90.1 | Very high | 28 Ų | 28 | 50.5 Ų | 50.5 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -77.3 | -26.3 | -178.8 | 53.8 | 0 | 0 | 0 | 0 | 113 | V66 K81 A82 N87 | V66-S85 WeakPolarHBondContact CG1-O 3.31Å; K81-S85 VanDerWaalsContact O-CB 3.31Å; K81-S85 WeakPolarHBondContact O-CB 3.34Å; K81-S85 PolarHBondContact O-N 3.23Å; K81-S85 PolarHBondContact O-OG 3.48Å; A82-S85 WeakPolarHBondContact CA-OG 3.1Å; A82-S85 PolarHBondContact O-OG 2.78Å; A82-S85 VanDerWaalsContact O-OG 3.08Å; S85-N87 PolarHBondContact O-N 3.11Å |
| 86 | A | 88.1 | Confident | 90.1 | Very high | 6 Ų | 6 | 54.2 Ų | 54.2 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | trans | -57.2 | 129.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V18 R35 A82 L90 | V18-A86 HydrophobicContact CG1-CB 3.62Å; R35-A86 PolarHBondContact NH2-O 3.14Å; A82-A86 WeakPolarHBondContact O-CB 3.39Å; A82-A86 PolarHBondContact O-N 3.42Å; A82-A86 VanDerWaalsContact O-N 3.11Å; A86-L90 HydrophobicContact CB-CB 3.7Å; A86-L90 HydrophobicContact CB-CD1 4.3Å | ||
| 87 | N | 82.2 | Confident | 89.7 | Confident | 137 Ų | 137 | 53.6 Ų | 53.6 | 73% | 0.733 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -153 | 107.9 | 172.7 | -167 | 6.9 | 0 | 0 | 0 | 111.9 | S85 L89 | S85-N87 PolarHBondContact O-N 3.11Å; N87-L89 VanDerWaalsContact C-N 3.31Å |
| 88 | P | 80.5 | Confident | 89 | Confident | 78 Ų | 78 | 56.9 Ų | 56.9 | 51% | 0.506 | 27% | 0.27 | S | S | . | . | S | Bend | cis | -80.2 | -10.8 | -18.7 | 34 | -34.6 | 0 | 0 | 0 | 112.8 | E19 | E19-P88 PolarHBondContact N-O 2.85Š|
| 89 | L | 89.8 | Confident | 87.9 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120 | -167.1 | -174.4 | 68.2 | 0 | 0 | 0 | 112.2 | E19 K21 N87 R91 | E19-L89 HydrophobicContact CB-CD1 3.84Å; E19-L89 CarbonylContact O-C 3.53Å; E19-L89 WeakPolarHBondContact O-CA 3.5Å; K21-L89 HydrophobicContact CB-CD1 3.86Å; K21-L89 HydrophobicContact CB-CD2 4.31Å; K21-L89 HydrophobicContact CB-CG 4.37Å; N87-L89 VanDerWaalsContact C-N 3.31Å; L89-R91 HydrophobicContact CD2-CG 3.89Å; L89-R91 HydrophobicContact CG-CG 4.06Å |
| 90 | L | 94.4 | Very high | 86.3 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 110.4 | 165.9 | 179.8 | 55.8 | 0 | 0 | 0 | 109.3 | V18 E19 V20 K21 Y63 A82 V83 A86 L92 | V18-L90 HydrophobicContact CG1-CB 3.84Å; E19-L90 PolarHBondContact O-N 2.94Å; V20-L90 WeakPolarHBondContact CA-O 3.33Å; V20-L90 HydrophobicContact CG2-CB 4.3Å; V20-L90 HydrophobicContact CG2-CD2 4.29Å; K21-L90 PolarHBondContact N-O 2.68Å; Y63-L90 HydrophobicContact CD2-CD1 4.3Å; Y63-L90 HydrophobicContact CG-CD1 4.31Å; A82-L90 HydrophobicContact CB-CD1 4.02Å; V83-L90 HydrophobicContact CG2-CD2 4.42Å; A86-L90 HydrophobicContact CB-CB 3.7Å; A86-L90 HydrophobicContact CB-CD1 4.3Å; L90-L92 HydrophobicContact CD1-CD2 3.96Å; L90-L92 HydrophobicContact CD2-CD2 4.09Å; L90-L92 HydrophobicContact CD2-CG 4.49Å; L90-L92 HydrophobicContact CG-CD2 3.8Å; L90-L92 HydrophobicContact CG-CG 4.09Å |
| 91 | R | 94.7 | Very high | 84.8 | Confident | 127 Ų | 127 | 63.1 Ų | 63.1 | 48% | 0.479 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 120.1 | 177.4 | -63 | -178.5 | -178.6 | 95.7 | -0.8 | 109.5 | K21 Y63 A64 L89 F93 | K21-R91 WeakPolarHBondContact O-CA 3.47Å; Y63-R91 CarbonylContact C-O 3.58Å; Y63-R91 WeakPolarHBondContact CA-O 3.23Å; A64-R91 HydrophobicContact CB-CB 4.24Å; A64-R91 PolarHBondContact N-O 3.31Å; L89-R91 HydrophobicContact CD2-CG 3.89Å; L89-R91 HydrophobicContact CG-CG 4.06Å; R91-F93 HydrophobicContact CB-CE2 4.35Å |
| 92 | L | 95.3 | Very high | 83.2 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 145.1 | -178.8 | -54.5 | 170.2 | 0 | 0 | 0 | 111.9 | V20 K21 K23 F44 L48 A62 I73 L90 | V20-L92 HydrophobicContact CG1-CD1 3.37Å; V20-L92 HydrophobicContact CG1-CG 4.02Å; K21-L92 PolarHBondContact O-N 3.3Å; K23-L92 PolarHBondContact N-O 3.4Å; F44-L92 HydrophobicContact CE1-CD1 4.33Å; F44-L92 HydrophobicContact CE2-CD1 4.44Å; F44-L92 HydrophobicContact CZ-CD1 3.54Å; L48-L92 HydrophobicContact CD2-CD1 3.9Å; A62-L92 CarbonylContact O-C 3.59Å; A62-L92 VanDerWaalsContact O-CA 3.22Å; A62-L92 WeakPolarHBondContact O-CA 3.26Å; I73-L92 HydrophobicContact CD1-CD2 3.74Å; L90-L92 HydrophobicContact CD1-CD2 3.96Å; L90-L92 HydrophobicContact CD2-CD2 4.09Å; L90-L92 HydrophobicContact CD2-CG 4.49Å; L90-L92 HydrophobicContact CG-CD2 3.8Å; L90-L92 HydrophobicContact CG-CG 4.09Å |
| 93 | F | 93.1 | Very high | 81.4 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119 | 176.2 | -61.9 | -94.4 | 0 | 0 | 0 | 108.2 | K23 A62 A64 L70 R91 L110 | K23-F93 HydrophobicContact CB-CD1 4.42Å; K23-F93 HydrophobicContact CD-CD1 4.09Å; K23-F93 HydrophobicContact CD-CE1 4.13Å; A62-F93 PolarHBondContact N-O 3.49Å; A62-F93 PolarHBondContact O-N 2.78Å; A64-F93 HydrophobicContact CB-CE2 4.16Å; L70-F93 HydrophobicContact CD2-CD2 3.35Å; L70-F93 HydrophobicContact CD2-CE2 3.48Å; L70-F93 VanDerWaalsContact CD2-CE2 3.48Å; L70-F93 HydrophobicContact CD2-CG 4.09Å; L70-F93 HydrophobicContact CD2-CZ 4.29Å; R91-F93 HydrophobicContact CB-CE2 4.35Å; F93-L110 HydrophobicContact CE1-CD2 4.35Å; F93-L110 HydrophobicContact CE2-CD2 4.24Å; F93-L110 HydrophobicContact CZ-CD2 3.74Å |
| 94 | L | 92.5 | Very high | 79.7 | Confident | 10 Ų | 10 | 67.6 Ų | 67.6 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.6 | -179.4 | -52.7 | -176 | 0 | 0 | 0 | 109.2 | S22 K23 F24 L48 H52 L60 V61 | S22-L94 WeakPolarHBondContact OG-CD1 3.4Å; K23-L94 WeakPolarHBondContact O-CB 3.21Å; K23-L94 PolarHBondContact O-N 2.91Å; F24-L94 HydrophobicContact CB-CB 4.11Å; F24-L94 HydrophobicContact CB-CD1 4.37Å; F24-L94 HydrophobicContact CD2-CB 3.77Å; F24-L94 HydrophobicContact CG-CB 4.39Å; L48-L94 HydrophobicContact CB-CD1 4.35Å; L48-L94 HydrophobicContact CD1-CD2 3.95Å; L48-L94 HydrophobicContact CD2-CD1 4.31Å; H52-L94 WeakPolarHBondContact CD2-CD1 3.38Å; H52-L94 WeakPolarHBondContact NE2-CD1 3.38Å; L60-L94 WeakPolarHBondContact O-CA 3.48Å; V61-L94 HydrophobicContact CB-CD2 4.14Å; V61-L94 HydrophobicContact CG1-CD2 3.81Å; V61-L94 HydrophobicContact CG2-CD2 3.86Å |
| 95 | Q | 88.6 | Confident | 78 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 24% | 0.243 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 141.8 | 176.2 | -172.4 | 169.2 | 11.1 | 0 | 0 | 110.2 | L59 L60 K97 E99 | L59-Q95 CarbonylContact C-O 3.58Å; L59-Q95 WeakPolarHBondContact CA-O 3.39Å; L60-Q95 PolarHBondContact N-O 2.83Å; L60-Q95 PolarHBondContact O-N 2.77Å; Q95-K97 PolarHBondContact O-N 3.42Å; Q95-E99 PolarHBondContact NE2-O 2.85Å |
| 96 | R | 87.5 | Confident | 75.9 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 130.3 | 172.5 | -66.8 | -170.4 | -83.1 | -161.5 | -4.3 | 109.5 | F24 V57 E98 E99 A100 | F24-R96 HydrophobicContact CE2-CG 3.83Å; F24-R96 HydrophobicContact CZ-CG 3.8Å; V57-R96 HydrophobicContact CG1-CB 4.44Å; V57-R96 HydrophobicContact CG1-CG 3.73Å; R96-E98 HydrophobicContact CB-CG 4.35Å; R96-E98 PolarHBondContact O-N 3.36Å; R96-E99 HydrophobicContact CB-CB 4.24Å; R96-E99 HydrophobicContact CB-CG 4.16Å; R96-E99 IonicContact CZ-OE1 3.63Å; R96-E99 IonicContact CZ-OE2 3.8Å; R96-E99 IonicContact NE-OE1 3.72Å; R96-E99 PolarHBondContact NE-OE1 2.84Å; R96-E99 IonicContact NE-OE2 3.84Å; R96-E99 PolarHBondContact NE-OE2 3.41Å; R96-E99 IonicContact NH1-OE1 2.82Å; R96-E99 IonicContact NH2-OE1 2.63Å; R96-E99 PolarHBondContact NH2-OE1 3.28Å; R96-E99 IonicContact NH2-OE2 2.66Å; R96-E99 PolarHBondContact NH2-OE2 3.3Å; R96-E99 CarbonylContact O-C 3.5Å; R96-E99 PolarHBondContact O-N 3.07Å; R96-E99 VanDerWaalsContact O-N 3.14Å; R96-A100 PolarHBondContact O-N 3.35Å; R96-A100 VanDerWaalsContact O-N 3.11Å |
| 97 | K | 79.4 | Confident | 73.9 | Confident | 63 Ų | 63 | 70 Ų | 70 | 27% | 0.274 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -62.6 | -31.3 | -178.3 | -173.4 | -167.1 | 175.1 | -164.6 | 0 | 112.9 | E58 Q95 E99 A100 | E58-K97 HydrophobicContact CB-CB 3.97Å; E58-K97 HydrophobicContact CB-CD 4.06Å; E58-K97 WeakPolarHBondContact O-CB 3.47Å; E58-K97 PolarHBondContact O-N 2.87Å; E58-K97 WeakPolarHBondContact OE2-CD 3.36Å; E58-K97 WeakPolarHBondContact OE2-CE 2.9Å; E58-K97 IonicContact OE2-NZ 2.65Å; E58-K97 PolarHBondContact OE2-NZ 3.42Å; Q95-K97 PolarHBondContact O-N 3.42Å; K97-E99 VanDerWaalsContact C-N 3.33Å; K97-A100 WeakPolarHBondContact O-CB 3.39Å; K97-A100 PolarHBondContact O-N 3.16Å |
| 98 | E | 72.5 | Confident | 72.3 | Confident | 160 Ų | 160 | 66.1 Ų | 66.1 | 75% | 0.748 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -73.8 | -23.7 | 177.8 | 70.5 | -169.5 | 159.2 | 0 | 0 | 113.4 | R96 | R96-E98 HydrophobicContact CB-CG 4.35Å; R96-E98 PolarHBondContact O-N 3.36Å |
| 99 | E | 67.6 | Low | 70.8 | Confident | 100 Ų | 100 | 64.4 Ų | 64.4 | 47% | 0.467 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -103.7 | 9.6 | 177.4 | -55.3 | -175.6 | 157.1 | 0 | 0 | 111.9 | Q95 R96 K97 D101 | Q95-E99 PolarHBondContact NE2-O 2.85Å; R96-E99 HydrophobicContact CB-CB 4.24Å; R96-E99 HydrophobicContact CB-CG 4.16Å; R96-E99 IonicContact CZ-OE1 3.63Å; R96-E99 IonicContact CZ-OE2 3.8Å; R96-E99 IonicContact NE-OE1 3.72Å; R96-E99 PolarHBondContact NE-OE1 2.84Å; R96-E99 IonicContact NE-OE2 3.84Å; R96-E99 PolarHBondContact NE-OE2 3.41Å; R96-E99 IonicContact NH1-OE1 2.82Å; R96-E99 IonicContact NH2-OE1 2.63Å; R96-E99 PolarHBondContact NH2-OE1 3.28Å; R96-E99 IonicContact NH2-OE2 2.66Å; R96-E99 PolarHBondContact NH2-OE2 3.3Å; R96-E99 CarbonylContact O-C 3.5Å; R96-E99 PolarHBondContact O-N 3.07Å; R96-E99 VanDerWaalsContact O-N 3.14Å; K97-E99 VanDerWaalsContact C-N 3.33Å; E99-D101 PolarHBondContact O-N 3.25Å |
| 100 | A | 60.3 | Low | 69.1 | Low | 9 Ų | 9 | 67.3 Ų | 67.3 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | trans | -78.9 | 105.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L60 R96 K97 Y102 | L60-A100 HydrophobicContact CD1-CB 3.37Å; L60-A100 HydrophobicContact CG-CB 4.39Å; R96-A100 PolarHBondContact O-N 3.35Å; R96-A100 VanDerWaalsContact O-N 3.11Å; K97-A100 WeakPolarHBondContact O-CB 3.39Å; K97-A100 PolarHBondContact O-N 3.16Å; A100-Y102 VanDerWaalsContact C-N 3.34Å; A100-Y102 HydrophobicContact CB-CE2 4.44Å; A100-Y102 WeakPolarHBondContact O-CD2 3.43Å; A100-Y102 WeakPolarHBondContact O-CE2 3.31Å; A100-Y102 PolarHBondContact O-N 3.38Å | ||
| 101 | D | 58.3 | Low | 66.9 | Low | 115 Ų | 115 | 73.2 Ų | 73.2 | 62% | 0.615 | 39% | 0.39 | S | S | * | . | trans | -68 | 97.3 | 157.8 | -78.6 | -25.6 | 0 | 0 | 0 | 108 | E99 T103 T104 | E99-D101 PolarHBondContact O-N 3.25Å; D101-T103 PolarHBondContact O-N 2.99Å; D101-T104 PolarHBondContact O-N 2.74Å; D101-T104 PolarHBondContact O-OG1 3.26Å | ||
| 102 | Y | 57.2 | Low | 64.7 | Low | 58 Ų | 58 | 74.6 Ų | 74.6 | 23% | 0.227 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -54.3 | -11.6 | 179.8 | -72.3 | -87.3 | 0 | 0 | 0 | 113.9 | A100 T104 I135 S137 L138 | A100-Y102 VanDerWaalsContact C-N 3.34Å; A100-Y102 HydrophobicContact CB-CE2 4.44Å; A100-Y102 WeakPolarHBondContact O-CD2 3.43Å; A100-Y102 WeakPolarHBondContact O-CE2 3.31Å; A100-Y102 PolarHBondContact O-N 3.38Å; Y102-T104 VanDerWaalsContact C-N 3.29Å; Y102-T104 PolarHBondContact O-N 3.45Å; Y102-I135 HydrophobicContact CD2-CG2 4.08Å; Y102-I135 HydrophobicContact CE2-CG2 3.51Å; Y102-S137 VanDerWaalsContact CE1-CA 3.41Å; Y102-L138 HydrophobicContact CD1-CB 4.48Å; Y102-L138 HydrophobicContact CD1-CD2 4.1Å; Y102-L138 HydrophobicContact CD1-CG 3.73Å; Y102-L138 HydrophobicContact CE1-CG 4.25Å |
| 103 | T | 55.3 | Low | 62.6 | Low | 109 Ų | 109 | 84.6 Ų | 84.6 | 67% | 0.669 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -71.9 | -17.2 | 174.1 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | D101 | D101-T103 PolarHBondContact O-N 2.99Š|
| 104 | T | 56 | Low | 60.5 | Low | 49 Ų | 49 | 88.7 Ų | 88.7 | 30% | 0.301 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -78.2 | -21.4 | -174.9 | -38.8 | 0 | 0 | 0 | 0 | 113 | D101 Y102 | D101-T104 PolarHBondContact O-N 2.74Å; D101-T104 PolarHBondContact O-OG1 3.26Å; Y102-T104 VanDerWaalsContact C-N 3.29Å; Y102-T104 PolarHBondContact O-N 3.45Å |
| 105 | F | 54.3 | Low | 58.2 | Low | 28 Ų | 28 | 95.3 Ų | 95.3 | 12% | 0.123 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -107 | 98.9 | -176.5 | -66.3 | -98.7 | 0 | 0 | 0 | 109.8 | L60 A62 L138 | L60-F105 HydrophobicContact CB-CE2 4.41Å; L60-F105 HydrophobicContact CB-CZ 4.01Å; L60-F105 HydrophobicContact CD1-CD2 4.42Å; L60-F105 HydrophobicContact CD1-CE2 3.88Å; L60-F105 HydrophobicContact CD1-CZ 4.3Å; A62-F105 HydrophobicContact CB-CD1 4.05Å; A62-F105 HydrophobicContact CB-CE1 3.44Å; A62-F105 VanDerWaalsContact CB-CE1 3.44Å; A62-F105 HydrophobicContact CB-CZ 4.49Å; F105-L138 HydrophobicContact CB-CD1 3.37Å; F105-L138 HydrophobicContact CB-CD2 4.04Å; F105-L138 HydrophobicContact CB-CG 4.33Å; F105-L138 HydrophobicContact CD1-CD1 4.18Å; F105-L138 HydrophobicContact CD2-CD1 3.87Å; F105-L138 HydrophobicContact CG-CD1 3.57Å |
| 106 | G | 46.4 | Very low | 56.3 | Low | 68 Ų | 68 | 98.2 Ų | 98.2 | 70% | 0.701 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 148.8 | -15 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 107 | T | 47 | Very low | 54.4 | Low | 126 Ų | 126 | 98.7 Ų | 98.7 | 77% | 0.773 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -143.3 | -6.3 | 178.8 | 52 | 0 | 0 | 0 | 0 | 115.4 | S109 | T107-S109 PolarHBondContact O-N 3.24Š|
| 108 | D | 47.3 | Very low | 52.8 | Low | 56 Ų | 56 | 102.9 Ų | 102.9 | 30% | 0.299 | 55% | 0.55 | S | S | . | * | trans | -91.8 | 95.7 | -177.3 | -66.9 | -35.4 | 0 | 0 | 0 | 110.7 | ||||
| 109 | S | 48.5 | Very low | 51.4 | Low | 41 Ų | 41 | 100 Ų | 100 | 29% | 0.287 | 55% | 0.547 | S | S | . | . | B | Isolated β-bridge | trans | -57 | 141.9 | 150.5 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | T107 T111 R112 | T107-S109 PolarHBondContact O-N 3.24Å; S109-T111 PolarHBondContact O-N 2.92Å; S109-T111 PolarHBondContact OG-OG1 3.41Å; S109-R112 PolarHBondContact O-N 3.46Å |
| 110 | L | 54.3 | Low | 50.5 | Low | 94 Ų | 94 | 99.4 Ų | 99.4 | 49% | 0.492 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -50.6 | -7.1 | 179.6 | -69.7 | 169.4 | 0 | 0 | 0 | 115.2 | A64 L70 F93 | A64-L110 HydrophobicContact CB-CD1 4.02Å; L70-L110 HydrophobicContact CD1-CD2 4.2Å; L70-L110 HydrophobicContact CD2-CD2 4.08Å; L70-L110 HydrophobicContact CG-CD2 4.22Å; F93-L110 HydrophobicContact CE1-CD2 4.35Å; F93-L110 HydrophobicContact CE2-CD2 4.24Å; F93-L110 HydrophobicContact CZ-CD2 3.74Å |
| 111 | T | 48.6 | Very low | 50 | Low | 125 Ų | 125 | 104.7 Ų | 104.7 | 77% | 0.767 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -4.3 | -175.4 | 58.2 | 0 | 0 | 0 | 0 | 115.4 | S109 | S109-T111 PolarHBondContact O-N 2.92Å; S109-T111 PolarHBondContact OG-OG1 3.41Å |
| 112 | R | 49.4 | Very low | 49.5 | Very low | 156 Ų | 156 | 106.4 Ų | 106.4 | 59% | 0.589 | 60% | 0.6 | S | S | * | * | trans | -131 | 79.6 | -175.6 | -152.1 | -178.4 | -153.9 | -161.9 | 13.1 | 115 | S109 K114 | S109-R112 PolarHBondContact O-N 3.46Å; R112-K114 HydrophobicContact CG-CG 4.45Å; R112-K114 PolarHBondContact O-N 3.38Å; R112-K114 VanDerWaalsContact O-N 3.14Å | ||
| 113 | K | 49.7 | Very low | 48.9 | Very low | 212 Ų | 212 | 111 Ų | 111 | 92% | 0.922 | 63% | 0.627 | S | S | * | * | trans | -66.9 | 107.2 | 155.9 | -74.7 | -178.1 | 176.6 | 179.5 | 0 | 108.8 | ||||
| 114 | K | 49.8 | Very low | 48.5 | Very low | 141 Ų | 141 | 117.5 Ų | 117.5 | 61% | 0.613 | 64% | 0.639 | S | S | * | * | trans | -106.7 | 122.9 | 165.6 | -107.3 | -175.7 | 172.2 | -175 | 0 | 109.2 | R112 T116 | R112-K114 HydrophobicContact CG-CG 4.45Å; R112-K114 PolarHBondContact O-N 3.38Å; R112-K114 VanDerWaalsContact O-N 3.14Å; K114-T116 PolarHBondContact O-N 3.07Å; K114-T116 VanDerWaalsContact O-N 3.17Å | ||
| 115 | N | 44.7 | Very low | 47.9 | Very low | 148 Ų | 148 | 121 Ų | 121 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | trans | -59.4 | 109.6 | 177.5 | -79.2 | -11.1 | 0 | 0 | 0 | 111.9 | V117 | N115-V117 HydrophobicContact CB-CG2 4.45Å; N115-V117 PolarHBondContact O-N 3.42Å; N115-V117 VanDerWaalsContact O-N 3.12Å | ||
| 116 | T | 48.5 | Very low | 47.4 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 69% | 0.693 | 69% | 0.692 | S | S | * | * | trans | -83.5 | 55.7 | 172.7 | -46.4 | 0 | 0 | 0 | 0 | 111.4 | K114 | K114-T116 PolarHBondContact O-N 3.07Å; K114-T116 VanDerWaalsContact O-N 3.17Å | ||
| 117 | V | 46.7 | Very low | 47.7 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 61% | 0.612 | 69% | 0.692 | S | S | * | * | trans | -97 | -12.3 | 177 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | N115 | N115-V117 HydrophobicContact CB-CG2 4.45Å; N115-V117 PolarHBondContact O-N 3.42Å; N115-V117 VanDerWaalsContact O-N 3.12Å | ||
| 118 | L | 46.3 | Very low | 48.1 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 80% | 0.796 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -88.8 | -11 | -173.8 | -62.5 | 179 | 0 | 0 | 0 | 115.2 | ||
| 119 | S | 42.9 | Very low | 48.3 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -83.4 | -12.2 | 178.9 | -52.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 120 | A | 48.5 | Very low | 48.6 | Very low | 88 Ų | 88 | 143 Ų | 143 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -89.8 | -8.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 121 | V | 50 | Low | 49.1 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -100.4 | -14.2 | -170.5 | -178.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 122 | L | 47.4 | Very low | 49.7 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -102.3 | 4 | -171.5 | -70.9 | 178.2 | 0 | 0 | 0 | 116.8 | ||
| 123 | L | 44.6 | Very low | 50.7 | Low | 154 Ų | 154 | 144.7 Ų | 144.7 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -128.5 | 92.7 | 177.3 | -66.7 | 171.1 | 0 | 0 | 0 | 111.1 | P125 | L123-P125 WeakPolarHBondContact O-CD 3.47Š| ||
| 124 | R | 46.7 | Very low | 52 | Low | 246 Ų | 246 | 141 Ų | 141 | 93% | 0.928 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 124 | 161.2 | -90 | -178.5 | 177.7 | 177.2 | -0.4 | 108.5 | D126 | R124-D126 PolarHBondContact O-N 3.03Š|
| 125 | P | 44.6 | Very low | 53.3 | Low | 123 Ų | 123 | 140.1 Ų | 140.1 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 120.9 | 177.9 | -7.9 | 23.8 | 0 | 0 | 0 | 110.2 | L123 | L123-P125 WeakPolarHBondContact O-CD 3.47Š|
| 126 | D | 44.2 | Very low | 54.8 | Low | 136 Ų | 136 | 139.9 Ų | 139.9 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 125.3 | 164.7 | -171.4 | -24.4 | 0 | 0 | 0 | 108.9 | R124 N128 | R124-D126 PolarHBondContact O-N 3.03Å; D126-N128 VanDerWaalsContact C-N 3.26Å; D126-N128 PolarHBondContact O-N 3.28Å; D126-N128 VanDerWaalsContact O-N 3.16Å |
| 127 | P | 51.9 | Low | 56.1 | Low | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -6.4 | -168.3 | 25.6 | -34.3 | 0 | 0 | 0 | 115.8 | ||
| 128 | N | 55.5 | Low | 57.4 | Low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 9.6 | -159.9 | -125.2 | -7.9 | 0 | 0 | 0 | 119.3 | D126 | D126-N128 VanDerWaalsContact C-N 3.26Å; D126-N128 PolarHBondContact O-N 3.28Å; D126-N128 VanDerWaalsContact O-N 3.16Å |
| 129 | K | 52.6 | Low | 58.9 | Low | 198 Ų | 198 | 130.4 Ų | 130.4 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | trans | -147.6 | 77 | 170.2 | -65.9 | -175.7 | -175.8 | 169.7 | 0 | 112.2 | K131 | K129-K131 VanDerWaalsContact C-N 3.25Å; K129-K131 PolarHBondContact O-N 3.35Å | ||
| 130 | K | 54.8 | Low | 60.4 | Low | 196 Ų | 196 | 131.1 Ų | 131.1 | 85% | 0.852 | 70% | 0.699 | S | S | * | * | trans | -79.7 | 72.1 | 171.6 | -63.9 | -171 | -178 | -178.1 | 0 | 110.8 | ||||
| 131 | K | 63.2 | Low | 61.9 | Low | 187 Ų | 187 | 129.8 Ų | 129.8 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 124.1 | 152.5 | -75.3 | -174.3 | 179 | -177.3 | 0 | 106.1 | K129 | K129-K131 VanDerWaalsContact C-N 3.25Å; K129-K131 PolarHBondContact O-N 3.35Å |
| 132 | P | 61.7 | Low | 63.3 | Low | 111 Ų | 111 | 130.1 Ų | 130.1 | 72% | 0.721 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 140.7 | 174.7 | 24.2 | -32 | 0 | 0 | 0 | 108.8 | V134 | P132-V134 PolarHBondContact O-N 3.13Š|
| 133 | P | 70.8 | Confident | 65.1 | Low | 112 Ų | 112 | 128.4 Ų | 128.4 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 135.8 | 177.4 | 24.9 | -32.5 | 0 | 0 | 0 | 109.3 | I135 | P133-I135 PolarHBondContact O-N 2.82Å; P133-I135 VanDerWaalsContact O-N 3.15Å |
| 134 | V | 77.1 | Confident | 67.2 | Low | 134 Ų | 134 | 124.9 Ų | 124.9 | 81% | 0.812 | 64% | 0.641 | S | S | * | * | trans | -70.5 | 110 | 173.5 | 177.5 | 0 | 0 | 0 | 0 | 107.7 | P132 I136 | P132-V134 PolarHBondContact O-N 3.13Å; V134-I136 HydrophobicContact CG1-CG1 4.36Å | ||
| 135 | I | 76.1 | Confident | 69.4 | Low | 124 Ų | 124 | 116.2 Ų | 116.2 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | trans | -88.1 | 110.2 | 178.4 | -55.5 | 174.5 | 0 | 0 | 0 | 108.1 | Y102 P133 | Y102-I135 HydrophobicContact CD2-CG2 4.08Å; Y102-I135 HydrophobicContact CE2-CG2 3.51Å; P133-I135 PolarHBondContact O-N 2.82Å; P133-I135 VanDerWaalsContact O-N 3.15Å | ||
| 136 | I | 76.5 | Confident | 71.8 | Confident | 142 Ų | 142 | 112.3 Ų | 112.3 | 73% | 0.728 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 123.6 | 172.9 | -55.4 | 177.6 | 0 | 0 | 0 | 107.7 | V134 | V134-I136 HydrophobicContact CG1-CG1 4.36Š|
| 137 | S | 75.4 | Confident | 74.2 | Confident | 55 Ų | 55 | 107.8 Ų | 107.8 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -74.1 | 166 | -178.3 | 69.3 | 0 | 0 | 0 | 0 | 112.7 | Y102 | Y102-S137 VanDerWaalsContact CE1-CA 3.41Š|
| 138 | L | 75 | Confident | 76.3 | Confident | 31 Ų | 31 | 105.7 Ų | 105.7 | 16% | 0.162 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -54.1 | 143.7 | 164.8 | -63.2 | 176.4 | 0 | 0 | 0 | 110 | Y102 F105 K140 | Y102-L138 HydrophobicContact CD1-CB 4.48Å; Y102-L138 HydrophobicContact CD1-CD2 4.1Å; Y102-L138 HydrophobicContact CD1-CG 3.73Å; Y102-L138 HydrophobicContact CE1-CG 4.25Å; F105-L138 HydrophobicContact CB-CD1 3.37Å; F105-L138 HydrophobicContact CB-CD2 4.04Å; F105-L138 HydrophobicContact CB-CG 4.33Å; F105-L138 HydrophobicContact CD1-CD1 4.18Å; F105-L138 HydrophobicContact CD2-CD1 3.87Å; F105-L138 HydrophobicContact CG-CD1 3.57Å; L138-K140 WeakPolarHBondContact O-CG 3.21Å; L138-K140 PolarHBondContact O-N 2.84Å |
| 139 | P | 76.7 | Confident | 78.2 | Confident | 81 Ų | 81 | 101 Ų | 101 | 53% | 0.526 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 135.1 | 172.5 | 16.8 | -20.6 | 0 | 0 | 0 | 110.4 | N74 F142 | N74-P139 PolarHBondContact ND2-O 3.43Å; P139-F142 HydrophobicContact CB-CD2 4.37Å; P139-F142 HydrophobicContact CB-CE1 4.24Å; P139-F142 HydrophobicContact CB-CE2 3.32Å; P139-F142 HydrophobicContact CB-CZ 3.27Å; P139-F142 HydrophobicContact CG-CE2 3.44Å; P139-F142 VanDerWaalsContact CG-CE2 3.44Å; P139-F142 HydrophobicContact CG-CZ 3.29Å; P139-F142 WeakPolarHBondContact O-CE2 3.39Å |
| 140 | K | 76.1 | Confident | 80.1 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | trans | -113.9 | 153.8 | -172.9 | -63.3 | -173.9 | 179.2 | -172.2 | 0 | 110.2 | N74 L138 F142 | N74-K140 WeakPolarHBondContact ND2-CA 3.37Å; L138-K140 WeakPolarHBondContact O-CG 3.21Å; L138-K140 PolarHBondContact O-N 2.84Å; K140-F142 PolarHBondContact O-N 3.42Å | ||
| 141 | D | 78.7 | Confident | 81.9 | Confident | 60 Ų | 60 | 90 Ų | 90 | 32% | 0.321 | 49% | 0.49 | S | S | . | . | S | Bend | trans | 55.5 | 50.6 | 171.7 | -168.3 | 19.3 | 0 | 0 | 0 | 113.1 | N74 N75 R143 | N74-D141 PolarHBondContact OD1-N 2.98Å; N75-D141 HydrophobicContact CB-CB 4.34Å; N75-D141 VanDerWaalsContact CB-OD1 3.31Å; N75-D141 WeakPolarHBondContact CB-OD1 3.26Å; N75-D141 WeakPolarHBondContact ND2-CA 3.36Å; N75-D141 PolarHBondContact ND2-OD1 3.5Å; D141-R143 PolarHBondContact O-N 3.16Å; D141-R143 IonicContact OD1-NH1 4Å; D141-R143 IonicContact OD2-CZ 2.61Å; D141-R143 IonicContact OD2-NH1 3.64Å; D141-R143 PolarHBondContact OD2-NH1 3.44Å; D141-R143 IonicContact OD2-NH2 3.84Å |
| 142 | F | 80.8 | Confident | 83.3 | Confident | 127 Ų | 127 | 88.7 Ų | 88.7 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | trans | -67.3 | 124.9 | 175.2 | -82 | -81.8 | 0 | 0 | 0 | 110.4 | N75 P139 K140 | N75-F142 PolarHBondContact ND2-O 2.78Å; P139-F142 HydrophobicContact CB-CD2 4.37Å; P139-F142 HydrophobicContact CB-CE1 4.24Å; P139-F142 HydrophobicContact CB-CE2 3.32Å; P139-F142 HydrophobicContact CB-CZ 3.27Å; P139-F142 HydrophobicContact CG-CE2 3.44Å; P139-F142 VanDerWaalsContact CG-CE2 3.44Å; P139-F142 HydrophobicContact CG-CZ 3.29Å; P139-F142 WeakPolarHBondContact O-CE2 3.39Å; K140-F142 PolarHBondContact O-N 3.42Å | ||
| 143 | R | 83.9 | Confident | 84.8 | Confident | 116 Ų | 116 | 89.5 Ų | 89.5 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | trans | -147.9 | 135.4 | -178.3 | 65.6 | -156.3 | -177.6 | -158.8 | -17.6 | 111 | D141 V145 H166 | D141-R143 PolarHBondContact O-N 3.16Å; D141-R143 IonicContact OD1-NH1 4Å; D141-R143 IonicContact OD2-CZ 2.61Å; D141-R143 IonicContact OD2-NH1 3.64Å; D141-R143 PolarHBondContact OD2-NH1 3.44Å; D141-R143 IonicContact OD2-NH2 3.84Å; R143-V145 PolarHBondContact O-N 3.15Å; R143-H166 VanDerWaalsContact CB-NE2 3.34Å; R143-H166 WeakPolarHBondContact CB-NE2 3.38Å; R143-H166 WeakPolarHBondContact CD-CD2 3.49Å; R143-H166 VanDerWaalsContact CG-CD2 3.42Å; R143-H166 WeakPolarHBondContact CG-CD2 3.1Å; R143-H166 WeakPolarHBondContact CG-NE2 3.46Å | ||
| 144 | P | 89.4 | Confident | 85.9 | Confident | 80 Ų | 80 | 85.5 Ų | 85.5 | 52% | 0.519 | 46% | 0.462 | S | S | . | . | trans | -69.8 | 122.8 | -178.4 | 28.3 | -32.9 | 0 | 0 | 0 | 109.3 | Y164 H166 | P144-Y164 HydrophobicContact CB-CD2 4.22Å; P144-Y164 HydrophobicContact CB-CE2 4.19Å; P144-Y164 HydrophobicContact CG-CD2 4.4Å; P144-Y164 HydrophobicContact CG-CE2 4.43Å; P144-Y164 HydrophobicContact CG-CG 4.46Å; P144-Y164 WeakPolarHBondContact O-CB 3.44Å; P144-Y164 VanDerWaalsContact O-CD2 3.32Å; P144-Y164 WeakPolarHBondContact O-CD2 3.43Å; P144-H166 PolarHBondContact O-CE1 2.97Å; P144-H166 PolarHBondContact O-NE2 2.97Å | ||
| 145 | V | 92.1 | Very high | 86.7 | Confident | 65 Ų | 65 | 82.7 Ų | 82.7 | 39% | 0.394 | 45% | 0.446 | S | S | . | . | trans | -89.8 | -45.8 | -176 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | R143 Y164 L205 T209 | R143-V145 PolarHBondContact O-N 3.15Å; V145-Y164 PolarHBondContact O-N 2.88Å; V145-L205 HydrophobicContact CG1-CD1 3.42Å; V145-L205 VanDerWaalsContact CG1-CD1 3.42Å; V145-T209 HydrophobicContact CG1-CG2 4.23Å | ||
| 146 | S | 94.9 | Very high | 87.3 | Confident | 40 Ų | 40 | 85 Ų | 85 | 28% | 0.28 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 164.4 | 178.5 | 62.4 | 0 | 0 | 0 | 0 | 112.2 | R162 T209 | S146-R162 CarbonylContact C-O 3.54Å; S146-R162 WeakPolarHBondContact CA-O 3.33Å; S146-R162 WeakPolarHBondContact CB-O 3.42Å; S146-T209 WeakPolarHBondContact OG-CG2 3.37Å |
| 147 | S | 95.5 | Very high | 88 | Confident | 42 Ų | 42 | 80.8 Ų | 80.8 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 151.6 | 170.5 | 55 | 0 | 0 | 0 | 0 | 111.1 | R162 | S147-R162 PolarHBondContact N-O 3.3Å; S147-R162 PolarHBondContact O-N 3.08Å |
| 148 | I | 95.4 | Very high | 88.9 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 33% | 0.328 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 132.6 | 165.1 | -53 | 176.1 | 0 | 0 | 0 | 107.1 | V151 R159 R160 L211 | I148-V151 HydrophobicContact CB-CG2 4.47Å; I148-V151 HydrophobicContact CG2-CG2 3.56Å; I148-R159 HydrophobicContact CG2-CG 4.17Å; I148-R160 WeakPolarHBondContact CA-O 3.46Å; I148-L211 HydrophobicContact CD1-CD2 3.73Å; I148-L211 HydrophobicContact CG1-CD1 3.96Å; I148-L211 HydrophobicContact CG1-CD2 3.78Å; I148-L211 HydrophobicContact CG1-CG 4.49Å |
| 149 | I | 95.1 | Very high | 89.9 | Confident | 42 Ų | 42 | 79.6 Ų | 79.6 | 22% | 0.215 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 163.1 | -179.7 | 62 | 172.8 | 0 | 0 | 0 | 110.6 | V151 R160 I246 | I149-V151 PolarHBondContact O-N 3.28Å; I149-V151 VanDerWaalsContact O-N 3.12Å; I149-R160 HydrophobicContact CD1-CG 3.79Å; I149-R160 HydrophobicContact CG1-CB 3.97Å; I149-R160 HydrophobicContact CG1-CG 3.52Å; I149-R160 PolarHBondContact N-O 3.06Å; I149-I246 HydrophobicContact CD1-CD1 4.45Å; I149-I246 HydrophobicContact CD1-CG2 3.87Å |
| 150 | D | 93.4 | Very high | 90.9 | Very high | 65 Ų | 65 | 77.8 Ų | 77.8 | 35% | 0.348 | 41% | 0.405 | S | S | . | . | trans | 57.2 | 29.3 | 171.1 | -60.4 | -28.1 | 0 | 0 | 0 | 115.2 | D152 I153 L154 R160 | D150-D152 PolarHBondContact O-N 3.25Å; D150-I153 HydrophobicContact CB-CD1 3.76Å; D150-I153 HydrophobicContact CB-CG1 3.58Å; D150-I153 WeakPolarHBondContact O-CG1 3.29Å; D150-I153 PolarHBondContact O-N 3.12Å; D150-L154 HydrophobicContact CB-CD1 3.92Å; D150-L154 HydrophobicContact CB-CG 4.18Å; D150-L154 WeakPolarHBondContact O-CB 3.45Å; D150-L154 WeakPolarHBondContact O-CG 3.37Å; D150-L154 PolarHBondContact O-N 2.66Å; D150-R160 VanDerWaalsContact OD2-CD 3.29Å; D150-R160 WeakPolarHBondContact OD2-CD 3.49Å; D150-R160 IonicContact OD2-CZ 3.44Å; D150-R160 IonicContact OD2-NE 3.75Å; D150-R160 IonicContact OD2-NH1 3.01Å; D150-R160 PolarHBondContact OD2-NH1 2.63Å | ||
| 151 | V | 91.6 | Very high | 91.9 | Very high | 98 Ų | 98 | 72.4 Ų | 72.4 | 59% | 0.594 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -36.6 | -178.3 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | I148 I149 | I148-V151 HydrophobicContact CB-CG2 4.47Å; I148-V151 HydrophobicContact CG2-CG2 3.56Å; I149-V151 PolarHBondContact O-N 3.28Å; I149-V151 VanDerWaalsContact O-N 3.12Å |
| 152 | D | 92.3 | Very high | 92.8 | Very high | 161 Ų | 161 | 73 Ų | 73 | 86% | 0.861 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -15.7 | -173.8 | -54.3 | -41.6 | 0 | 0 | 0 | 113.7 | D150 | D150-D152 PolarHBondContact O-N 3.25Š|
| 153 | I | 94 | Very high | 93.5 | Very high | 127 Ų | 127 | 67 Ų | 67 | 65% | 0.651 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -15.6 | -177.1 | 65.7 | 168.9 | 0 | 0 | 0 | 112.8 | D150 | D150-I153 HydrophobicContact CB-CD1 3.76Å; D150-I153 HydrophobicContact CB-CG1 3.58Å; D150-I153 WeakPolarHBondContact O-CG1 3.29Å; D150-I153 PolarHBondContact O-N 3.12Å |
| 154 | L | 93.2 | Very high | 93.9 | Very high | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.152 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -89.1 | 149.1 | 174.9 | -73.1 | 169.5 | 0 | 0 | 0 | 110.6 | D150 H158 R160 T248 | D150-L154 HydrophobicContact CB-CD1 3.92Å; D150-L154 HydrophobicContact CB-CG 4.18Å; D150-L154 WeakPolarHBondContact O-CB 3.45Å; D150-L154 WeakPolarHBondContact O-CG 3.37Å; D150-L154 PolarHBondContact O-N 2.66Å; L154-H158 HydrophobicContact CB-CB 4.4Å; L154-R160 HydrophobicContact CD1-CB 3.35Å; L154-R160 HydrophobicContact CD1-CG 4.44Å; L154-T248 HydrophobicContact CD2-CG2 4.45Å |
| 155 | P | 93.6 | Very high | 94 | Very high | 75 Ų | 75 | 61.1 Ų | 61.1 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | trans | -59.3 | 144.7 | 170.2 | -16.2 | 27.4 | 0 | 0 | 0 | 110.2 | T157 H158 | P155-T157 PolarHBondContact O-N 2.97Å; P155-H158 WeakPolarHBondContact CB-ND1 3.32Å; P155-H158 WeakPolarHBondContact CD-ND1 3.38Å; P155-H158 VanDerWaalsContact CG-ND1 3.33Å; P155-H158 WeakPolarHBondContact CG-ND1 3.34Å; P155-H158 WeakPolarHBondContact O-CB 3.09Å; P155-H158 PolarHBondContact O-N 3.35Å | ||
| 156 | E | 89.8 | Confident | 93.6 | Very high | 171 Ų | 171 | 60.3 Ų | 60.3 | 80% | 0.799 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -26.3 | -176.5 | -173.8 | 179.3 | -178.8 | 0 | 0 | 113.8 | H158 N257 | E156-H158 PolarHBondContact O-N 3.36Å; E156-N257 PolarHBondContact O-ND2 2.92Å |
| 157 | T | 91.4 | Very high | 92.6 | Very high | 54 Ų | 54 | 60.9 Ų | 60.9 | 33% | 0.331 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -5.2 | 176.9 | 62.5 | 0 | 0 | 0 | 0 | 114 | P155 P251 | P155-T157 PolarHBondContact O-N 2.97Å; T157-P251 VanDerWaalsContact O-CD 3.23Å; T157-P251 WeakPolarHBondContact O-CD 3.42Å |
| 158 | H | 93.8 | Very high | 91 | Very high | 46 Ų | 46 | 66 Ų | 66 | 21% | 0.213 | 34% | 0.344 | C | S | . | . | trans | -114.5 | 154.8 | -177.4 | -59.9 | 103.1 | 0 | 0 | 0 | 111.4 | L154 P155 E156 L219 T248 V249 | L154-H158 HydrophobicContact CB-CB 4.4Å; P155-H158 WeakPolarHBondContact CB-ND1 3.32Å; P155-H158 WeakPolarHBondContact CD-ND1 3.38Å; P155-H158 VanDerWaalsContact CG-ND1 3.33Å; P155-H158 WeakPolarHBondContact CG-ND1 3.34Å; P155-H158 WeakPolarHBondContact O-CB 3.09Å; P155-H158 PolarHBondContact O-N 3.35Å; E156-H158 PolarHBondContact O-N 3.36Å; H158-L219 WeakPolarHBondContact CD2-CD1 3.29Å; H158-L219 WeakPolarHBondContact NE2-CD1 3.26Å; H158-T248 HydrophobicContact CB-CG2 4.48Å; H158-V249 CarbonylContact C-O 3.59Å; H158-V249 WeakPolarHBondContact CA-O 3.26Å | ||
| 159 | R | 95.7 | Very high | 89.9 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 6% | 0.06 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 123.2 | 174.9 | -174.5 | -172.6 | -64.9 | -177.1 | -4.7 | 108.6 | I148 V161 L211 V249 P251 N256 N257 | I148-R159 HydrophobicContact CG2-CG 4.17Å; R159-V161 HydrophobicContact CG-CG2 3.79Å; R159-L211 WeakPolarHBondContact CD-O 3.42Å; R159-L211 PolarHBondContact NH1-O 3.4Å; R159-V249 HydrophobicContact CB-CG2 4.2Å; R159-V249 PolarHBondContact N-O 3.42Å; R159-V249 PolarHBondContact O-N 3.35Å; R159-P251 HydrophobicContact CB-CG 4.06Å; R159-N256 PolarHBondContact NH2-O 2.89Å; R159-N257 PolarHBondContact NE-OD1 3.27Å; R159-N257 PolarHBondContact NH2-OD1 2.95Å |
| 160 | R | 97.3 | Very high | 89.3 | Confident | 43 Ų | 43 | 77 Ų | 77 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.1 | 171.2 | -173.3 | 178.3 | -73.2 | 168.3 | -3.8 | 109.6 | I148 I149 D150 L154 E220 I246 I247 T248 | I148-R160 WeakPolarHBondContact CA-O 3.46Å; I149-R160 HydrophobicContact CD1-CG 3.79Å; I149-R160 HydrophobicContact CG1-CB 3.97Å; I149-R160 HydrophobicContact CG1-CG 3.52Å; I149-R160 PolarHBondContact N-O 3.06Å; D150-R160 VanDerWaalsContact OD2-CD 3.29Å; D150-R160 WeakPolarHBondContact OD2-CD 3.49Å; D150-R160 IonicContact OD2-CZ 3.44Å; D150-R160 IonicContact OD2-NE 3.75Å; D150-R160 IonicContact OD2-NH1 3.01Å; D150-R160 PolarHBondContact OD2-NH1 2.63Å; L154-R160 HydrophobicContact CD1-CB 3.35Å; L154-R160 HydrophobicContact CD1-CG 4.44Å; R160-E220 IonicContact CZ-OE2 3.13Å; R160-E220 IonicContact NE-OE2 3.67Å; R160-E220 IonicContact NH2-OE2 2.8Å; R160-E220 PolarHBondContact NH2-OE2 2.82Å; R160-I246 HydrophobicContact CG-CG2 3.71Å; R160-I247 WeakPolarHBondContact CA-O 3.36Å; R160-T248 HydrophobicContact CB-CG2 4.49Å; R160-T248 PolarHBondContact NE-OG1 3.24Å |
| 161 | V | 97.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.3 | -175.2 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | R159 L163 L211 L212 I246 I247 | R159-V161 HydrophobicContact CG-CG2 3.79Å; V161-L163 HydrophobicContact CG1-CD2 3.78Å; V161-L163 HydrophobicContact CG1-CG 4.07Å; V161-L211 HydrophobicContact CG1-CB 3.89Å; V161-L211 HydrophobicContact CG1-CD1 3.73Å; V161-L211 HydrophobicContact CG1-CG 4.48Å; V161-L211 HydrophobicContact CG2-CB 3.91Å; V161-L212 HydrophobicContact CB-CD2 4.45Å; V161-L212 HydrophobicContact CG2-CD2 4.12Å; V161-I246 CarbonylContact O-C 3.56Å; V161-I246 WeakPolarHBondContact O-CA 3.39Å; V161-I247 HydrophobicContact CB-CG2 4.03Å; V161-I247 PolarHBondContact N-O 2.76Å; V161-I247 PolarHBondContact O-N 2.77Å |
| 162 | R | 97.5 | Very high | 89.2 | Confident | 72 Ų | 72 | 72.1 Ų | 72.1 | 27% | 0.272 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 125.1 | 169 | -173.3 | 172.2 | -171.1 | -179.8 | -0.3 | 109.2 | S146 S147 Y164 N244 L245 I246 | S146-R162 CarbonylContact C-O 3.54Å; S146-R162 WeakPolarHBondContact CA-O 3.33Å; S146-R162 WeakPolarHBondContact CB-O 3.42Å; S147-R162 PolarHBondContact N-O 3.3Å; S147-R162 PolarHBondContact O-N 3.08Å; R162-Y164 WeakPolarHBondContact CD-OH 3.37Å; R162-Y164 HydrophobicContact CG-CE2 3.92Å; R162-Y164 PolarHBondContact NE-OH 2.98Å; R162-Y164 VanDerWaalsContact NE-OH 3.08Å; R162-Y164 PolarHBondContact NH1-OH 2.61Å; R162-N244 PolarHBondContact NE-OD1 3.16Å; R162-N244 PolarHBondContact NH2-ND2 2.99Å; R162-N244 PolarHBondContact NH2-OD1 3.31Å; R162-N244 VanDerWaalsContact NH2-OD1 3.07Å; R162-L245 CarbonylContact C-O 3.6Å; R162-L245 VanDerWaalsContact CA-O 3.29Å; R162-L245 WeakPolarHBondContact CA-O 3.41Å; R162-I246 HydrophobicContact CB-CG1 4.28Å; R162-I246 HydrophobicContact CG-CG1 3.93Å |
| 163 | L | 95.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.5 | 177.4 | -62.3 | -178.5 | 0 | 0 | 0 | 110.2 | V161 F174 L205 T209 L212 L245 | V161-L163 HydrophobicContact CG1-CD2 3.78Å; V161-L163 HydrophobicContact CG1-CG 4.07Å; L163-F174 HydrophobicContact CD1-CE1 4.32Å; L163-L205 HydrophobicContact CB-CD2 4.36Å; L163-T209 HydrophobicContact CD2-CG2 3.78Å; L163-L212 HydrophobicContact CD1-CD1 3.95Å; L163-L245 HydrophobicContact CB-CB 4.46Å; L163-L245 PolarHBondContact N-O 2.73Å; L163-L245 PolarHBondContact O-N 3.26Å |
| 164 | Y | 93.5 | Very high | 89.4 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 111.9 | 175.8 | -63.7 | -88.8 | 0 | 0 | 0 | 109 | P144 V145 R162 H166 | P144-Y164 HydrophobicContact CB-CD2 4.22Å; P144-Y164 HydrophobicContact CB-CE2 4.19Å; P144-Y164 HydrophobicContact CG-CD2 4.4Å; P144-Y164 HydrophobicContact CG-CE2 4.43Å; P144-Y164 HydrophobicContact CG-CG 4.46Å; P144-Y164 WeakPolarHBondContact O-CB 3.44Å; P144-Y164 VanDerWaalsContact O-CD2 3.32Å; P144-Y164 WeakPolarHBondContact O-CD2 3.43Å; V145-Y164 PolarHBondContact O-N 2.88Å; R162-Y164 WeakPolarHBondContact CD-OH 3.37Å; R162-Y164 HydrophobicContact CG-CE2 3.92Å; R162-Y164 PolarHBondContact NE-OH 2.98Å; R162-Y164 VanDerWaalsContact NE-OH 3.08Å; R162-Y164 PolarHBondContact NH1-OH 2.61Å; Y164-H166 PolarHBondContact O-CE1 3.4Å; Y164-H166 PolarHBondContact O-N 3.05Å; Y164-H166 PolarHBondContact O-ND1 2.9Å |
| 165 | K | 90.6 | Very high | 89.6 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | trans | -82.3 | 117.4 | 176.8 | 174.5 | -179.5 | 154.4 | 166.6 | 0 | 109.4 | G167 Q168 K170 L172 L205 S242 H243 | K165-G167 WeakPolarHBondContact CE-O 3.5Å; K165-Q168 VanDerWaalsContact CE-O 3.29Å; K165-Q168 WeakPolarHBondContact CE-O 3.4Å; K165-Q168 PolarHBondContact NZ-O 2.83Å; K165-K170 WeakPolarHBondContact CD-O 3.36Å; K165-K170 WeakPolarHBondContact CE-O 3.29Å; K165-K170 PolarHBondContact NZ-O 2.96Å; K165-L172 HydrophobicContact CB-CD2 4.36Å; K165-L205 HydrophobicContact CB-CD2 4.38Å; K165-S242 WeakPolarHBondContact CB-O 3.42Å; K165-H243 PolarHBondContact N-O 3.24Å | ||
| 166 | H | 83.8 | Confident | 89.8 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 22% | 0.222 | 27% | 0.271 | C | S | . | . | trans | -100.5 | 128.2 | 175.3 | -54.5 | 84.3 | 0 | 0 | 0 | 109.7 | R143 P144 Y164 | R143-H166 VanDerWaalsContact CB-NE2 3.34Å; R143-H166 WeakPolarHBondContact CB-NE2 3.38Å; R143-H166 WeakPolarHBondContact CD-CD2 3.49Å; R143-H166 VanDerWaalsContact CG-CD2 3.42Å; R143-H166 WeakPolarHBondContact CG-CD2 3.1Å; R143-H166 WeakPolarHBondContact CG-NE2 3.46Å; P144-H166 PolarHBondContact O-CE1 2.97Å; P144-H166 PolarHBondContact O-NE2 2.97Å; Y164-H166 PolarHBondContact O-CE1 3.4Å; Y164-H166 PolarHBondContact O-N 3.05Å; Y164-H166 PolarHBondContact O-ND1 2.9Å | ||
| 167 | G | 73.4 | Confident | 90.1 | Very high | 52 Ų | 52 | 51.4 Ų | 51.4 | 54% | 0.536 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 83.1 | 138.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K165 E169 | K165-G167 WeakPolarHBondContact CE-O 3.5Å; G167-E169 VanDerWaalsContact C-N 3.31Å; G167-E169 PolarHBondContact O-N 2.82Å |
| 168 | Q | 62.7 | Low | 90.4 | Very high | 150 Ų | 150 | 53.3 Ų | 53.3 | 70% | 0.701 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -72.6 | -26.1 | -174.8 | -64.9 | -160.9 | -33.5 | 0 | 0 | 113 | K165 | K165-Q168 VanDerWaalsContact CE-O 3.29Å; K165-Q168 WeakPolarHBondContact CE-O 3.4Å; K165-Q168 PolarHBondContact NZ-O 2.83Å |
| 169 | E | 71.6 | Confident | 90.4 | Very high | 181 Ų | 181 | 52.1 Ų | 52.1 | 85% | 0.846 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -89.5 | -27.1 | -169.1 | -163.3 | 173.8 | -175.6 | 0 | 0 | 114.4 | G167 | G167-E169 VanDerWaalsContact C-N 3.31Å; G167-E169 PolarHBondContact O-N 2.82Å |
| 170 | K | 82.8 | Confident | 90.2 | Very high | 156 Ų | 156 | 55.5 Ų | 55.5 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -76.6 | 128.8 | -175.8 | -70.3 | -171.9 | 177.8 | -174.9 | 0 | 111.3 | K165 | K165-K170 WeakPolarHBondContact CD-O 3.36Å; K165-K170 WeakPolarHBondContact CE-O 3.29Å; K165-K170 PolarHBondContact NZ-O 2.96Å |
| 171 | P | 89.9 | Confident | 89.9 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 38% | 0.377 | 28% | 0.278 | S | S | . | . | trans | -68.6 | 166.4 | 174 | 29.7 | -34.9 | 0 | 0 | 0 | 111 | G173 | P171-G173 PolarHBondContact O-N 2.83Å; P171-G173 VanDerWaalsContact O-N 3.17Å | ||
| 172 | L | 92.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | trans | -62.8 | -18.7 | 174.4 | -68.2 | 166.1 | 0 | 0 | 0 | 112.9 | K165 F174 L205 A206 L245 | K165-L172 HydrophobicContact CB-CD2 4.36Å; L172-F174 HydrophobicContact CB-CD1 3.87Å; L172-F174 HydrophobicContact CB-CE1 3.64Å; L172-F174 HydrophobicContact CD1-CE1 4.03Å; L172-F174 HydrophobicContact CD1-CZ 4.38Å; L172-F174 HydrophobicContact CG-CE1 4.41Å; L172-L205 HydrophobicContact CD2-CD2 4.15Å; L172-L205 WeakPolarHBondContact O-CB 3.5Å; L172-A206 WeakPolarHBondContact O-CB 3.49Å; L172-A206 PolarHBondContact O-N 3.38Å; L172-L245 HydrophobicContact CD1-CD2 3.75Å; L172-L245 HydrophobicContact CD2-CD2 4.46Å | ||
| 173 | G | 94 | Very high | 89 | Confident | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | S | Bend | trans | 83 | 26.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P171 V201 | P171-G173 PolarHBondContact O-N 2.83Å; P171-G173 VanDerWaalsContact O-N 3.17Å; G173-V201 PolarHBondContact O-N 2.69Å |
| 174 | F | 96.8 | Very high | 88.6 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 164.6 | 170.9 | 69.6 | -84.8 | 0 | 0 | 0 | 110.6 | L163 L172 I176 I197 R199 L200 A206 L212 M238 L245 I247 | L163-F174 HydrophobicContact CD1-CE1 4.32Å; L172-F174 HydrophobicContact CB-CD1 3.87Å; L172-F174 HydrophobicContact CB-CE1 3.64Å; L172-F174 HydrophobicContact CD1-CE1 4.03Å; L172-F174 HydrophobicContact CD1-CZ 4.38Å; L172-F174 HydrophobicContact CG-CE1 4.41Å; F174-I176 HydrophobicContact CD2-CG2 4.18Å; F174-I176 HydrophobicContact CE2-CG2 3.95Å; F174-I197 HydrophobicContact CB-CG2 4.39Å; F174-I197 HydrophobicContact CD2-CD1 4.42Å; F174-I197 HydrophobicContact CD2-CG1 4.4Å; F174-R199 WeakPolarHBondContact CA-O 3.46Å; F174-L200 HydrophobicContact CB-CD2 3.52Å; F174-A206 HydrophobicContact CB-CB 3.91Å; F174-A206 HydrophobicContact CD1-CB 3.61Å; F174-A206 HydrophobicContact CG-CB 4.15Å; F174-L212 HydrophobicContact CD1-CD1 4.32Å; F174-L212 HydrophobicContact CE1-CD1 4.28Å; F174-M238 HydrophobicContact CE2-CE 4.26Å; F174-M238 HydrophobicContact CE2-SD 3.75Å; F174-M238 HydrophobicContact CZ-CE 4.49Å; F174-M238 HydrophobicContact CZ-SD 3.79Å; F174-L245 HydrophobicContact CE1-CD2 4.2Å; F174-L245 HydrophobicContact CZ-CD2 4Å; F174-I247 HydrophobicContact CE2-CD1 4.42Å; F174-I247 HydrophobicContact CZ-CD1 4.31Å |
| 175 | Y | 97.1 | Very high | 88.1 | Confident | 26 Ų | 26 | 63 Ų | 63 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.8 | -178.8 | -57.5 | -106.1 | 0 | 0 | 0 | 109 | I197 S198 R199 V201 T403 V404 | Y175-I197 CarbonylContact O-C 3.45Å; Y175-I197 WeakPolarHBondContact O-CA 3.19Å; Y175-S198 VanDerWaalsContact CB-OG 3.25Å; Y175-S198 WeakPolarHBondContact CB-OG 3.05Å; Y175-S198 PolarHBondContact O-N 2.86Å; Y175-S198 PolarHBondContact O-OG 2.99Å; Y175-R199 HydrophobicContact CD2-CB 4.49Å; Y175-R199 HydrophobicContact CD2-CG 3.18Å; Y175-R199 VanDerWaalsContact CD2-CZ 3.49Å; Y175-R199 VanDerWaalsContact CD2-NE 3.32Å; Y175-R199 HydrophobicContact CE2-CG 3.89Å; Y175-R199 HydrophobicContact CG-CG 3.62Å; Y175-R199 PolarHBondContact N-O 3.04Å; Y175-R199 PolarHBondContact OH-NH1 2.93Å; Y175-R199 PolarHBondContact OH-NH2 2.84Å; Y175-V201 HydrophobicContact CD2-CG2 4.42Å; Y175-V201 HydrophobicContact CE2-CG2 3.43Å; Y175-V201 VanDerWaalsContact CE2-CG2 3.43Å; Y175-T403 WeakPolarHBondContact CD1-O 3.08Å; Y175-V404 HydrophobicContact CD1-CB 4.43Å; Y175-V404 HydrophobicContact CD1-CG2 4.42Å; Y175-V404 VanDerWaalsContact CE1-CA 3.4Å; Y175-V404 HydrophobicContact CE1-CB 3.65Å; Y175-V404 HydrophobicContact CE1-CG1 3.58Å; Y175-V404 HydrophobicContact CE1-CG2 3.56Å |
| 176 | I | 97.9 | Very high | 87.9 | Confident | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.026 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 159.4 | 177.5 | 55.6 | 172.1 | 0 | 0 | 0 | 110.4 | F174 I195 F196 V218 L231 V234 M238 | F174-I176 HydrophobicContact CD2-CG2 4.18Å; F174-I176 HydrophobicContact CE2-CG2 3.95Å; I176-I195 HydrophobicContact CB-CG2 3.84Å; I176-I195 HydrophobicContact CD1-CG2 3.99Å; I176-I195 HydrophobicContact CG1-CG2 4.45Å; I176-I195 HydrophobicContact CG2-CG2 4.18Å; I176-F196 CarbonylContact C-O 3.46Å; I176-F196 WeakPolarHBondContact CA-O 3.23Å; I176-V218 HydrophobicContact CG2-CG2 4.35Å; I176-L231 HydrophobicContact CB-CD1 4.24Å; I176-L231 HydrophobicContact CD1-CD1 3.82Å; I176-L231 HydrophobicContact CG1-CD1 3.75Å; I176-V234 HydrophobicContact CD1-CB 4.29Å; I176-V234 HydrophobicContact CD1-CG1 3.86Å; I176-M238 HydrophobicContact CD1-CE 4.31Å; I176-M238 HydrophobicContact CD1-SD 4.17Å; I176-M238 HydrophobicContact CG2-CE 4.17Å; I176-M238 HydrophobicContact CG2-SD 4.36Å |
| 177 | R | 97.3 | Very high | 88 | Confident | 89 Ų | 89 | 74 Ų | 74 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 159.5 | 175.2 | 63.1 | 175.9 | 174 | 70.9 | 1.9 | 110.1 | F196 N215 | R177-F196 HydrophobicContact CG-CB 4.25Å; R177-F196 PolarHBondContact N-O 2.99Å; R177-F196 PolarHBondContact O-N 3.08Å; R177-N215 PolarHBondContact NH2-OD1 2.78Å |
| 178 | D | 96.4 | Very high | 88.8 | Confident | 95 Ų | 95 | 73.2 Ų | 73.2 | 51% | 0.508 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 155.2 | 164.8 | -69.7 | -45.6 | 0 | 0 | 0 | 111.4 | I195 | D178-I195 VanDerWaalsContact OD1-CD1 3.25Å; D178-I195 WeakPolarHBondContact OD1-CD1 3.12Å |
| 179 | G | 94 | Very high | 90.2 | Very high | 21 Ų | 21 | 72.6 Ų | 72.6 | 22% | 0.216 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | -175 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G194 | G179-G194 CarbonylContact C-O 3.6Å; G179-G194 PolarHBondContact N-O 3.11Å; G179-G194 PolarHBondContact O-N 3.19Å |
| 180 | S | 92.7 | Very high | 91.2 | Very high | 86 Ų | 86 | 68.5 Ų | 68.5 | 60% | 0.601 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125 | 175.8 | -53 | 0 | 0 | 0 | 0 | 109.8 | V192 | S180-V192 CarbonylContact C-O 3.59Å; S180-V192 WeakPolarHBondContact CA-O 3.22Å |
| 181 | S | 89.6 | Confident | 91.6 | Very high | 7 Ų | 7 | 68.7 Ų | 68.7 | 5% | 0.049 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136 | 171.1 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | V192 E217 | S181-V192 PolarHBondContact N-O 2.94Å; S181-V192 WeakPolarHBondContact O-CG2 3.49Å; S181-V192 PolarHBondContact O-N 2.91Å; S181-E217 WeakPolarHBondContact CB-OE1 2.84Å; S181-E217 VanDerWaalsContact OG-CD 3.22Å; S181-E217 PolarHBondContact OG-OE1 3.24Å; S181-E217 PolarHBondContact OG-OE2 3.33Å |
| 182 | V | 89.1 | Confident | 91.6 | Very high | 86 Ų | 86 | 67.2 Ų | 67.2 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | L189 E190 K191 | V182-L189 HydrophobicContact CG1-CB 4.48Å; V182-L189 HydrophobicContact CG1-CD2 3.96Å; V182-E190 WeakPolarHBondContact CA-O 3.31Å; V182-K191 HydrophobicContact CG2-CG 4.15Å |
| 183 | R | 87.1 | Confident | 91.7 | Very high | 75 Ų | 75 | 72.4 Ų | 72.4 | 28% | 0.283 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150.9 | 179.2 | -62.5 | -168.8 | -175.9 | 178.3 | -2.5 | 110.4 | T185 E190 V192 E217 | R183-T185 PolarHBondContact O-N 2.79Å; R183-E190 PolarHBondContact N-O 2.75Å; R183-E190 PolarHBondContact O-N 3.03Å; R183-V192 HydrophobicContact CB-CG2 4.34Å; R183-V192 HydrophobicContact CG-CG2 3.75Å; R183-E217 IonicContact CZ-OE1 2.74Å; R183-E217 IonicContact NE-OE1 3.05Å; R183-E217 IonicContact NH2-OE1 2.77Å; R183-E217 PolarHBondContact NH2-OE1 3.14Å |
| 184 | V | 87.1 | Confident | 91.7 | Very high | 127 Ų | 127 | 72.6 Ų | 72.6 | 77% | 0.77 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 106.4 | 170.7 | -177.4 | 0 | 0 | 0 | 0 | 106.8 | L189 | V184-L189 HydrophobicContact CG2-CD2 3.76Å |
| 185 | T | 84.2 | Confident | 91.8 | Very high | 30 Ų | 30 | 72.7 Ų | 72.7 | 18% | 0.184 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 163.3 | 171.4 | 64.4 | 0 | 0 | 0 | 0 | 109.3 | R183 Q187 G188 E190 | R183-T185 PolarHBondContact O-N 2.79Å; T185-Q187 PolarHBondContact O-N 3.47Å; T185-Q187 VanDerWaalsContact O-N 3.1Å; T185-G188 PolarHBondContact N-O 2.8Å; T185-G188 PolarHBondContact O-N 3Å; T185-G188 VanDerWaalsContact O-O 3.07Å; T185-G188 PolarHBondContact OG1-O 2.97Å; T185-E190 HydrophobicContact CG2-CB 4.05Å |
| 186 | P | 85.9 | Confident | 91.8 | Very high | 135 Ų | 135 | 72.5 Ų | 72.5 | 88% | 0.877 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.5 | 174.3 | -26 | 35.9 | 0 | 0 | 0 | 113.8 | ||
| 187 | Q | 85.1 | Confident | 91.8 | Very high | 166 Ų | 166 | 72.3 Ų | 72.3 | 78% | 0.776 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -5 | 175.4 | -58.6 | 98.4 | -12 | 0 | 0 | 114.2 | T185 | T185-Q187 PolarHBondContact O-N 3.47Å; T185-Q187 VanDerWaalsContact O-N 3.1Å |
| 188 | G | 90.9 | Very high | 91.8 | Very high | 35 Ų | 35 | 69.6 Ų | 69.6 | 36% | 0.361 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 129.8 | -151.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T185 | T185-G188 PolarHBondContact N-O 2.8Å; T185-G188 PolarHBondContact O-N 3Å; T185-G188 VanDerWaalsContact O-O 3.07Å; T185-G188 PolarHBondContact OG1-O 2.97Å |
| 189 | L | 91.9 | Very high | 91.8 | Very high | 138 Ų | 138 | 70 Ų | 70 | 72% | 0.723 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 115.8 | 173.9 | -75 | 166.3 | 0 | 0 | 0 | 109.4 | V182 V184 | V182-L189 HydrophobicContact CG1-CB 4.48Å; V182-L189 HydrophobicContact CG1-CD2 3.96Å; V184-L189 HydrophobicContact CG2-CD2 3.76Å |
| 190 | E | 92.1 | Very high | 91.8 | Very high | 94 Ų | 94 | 70.7 Ų | 70.7 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.5 | -178.6 | -169 | 173.7 | -179.4 | 0 | 0 | 111.2 | V182 R183 T185 V192 | V182-E190 WeakPolarHBondContact CA-O 3.31Å; R183-E190 PolarHBondContact N-O 2.75Å; R183-E190 PolarHBondContact O-N 3.03Å; T185-E190 HydrophobicContact CG2-CB 4.05Å; E190-V192 HydrophobicContact CG-CG1 4.3Å |
| 191 | K | 91.2 | Very high | 92 | Very high | 160 Ų | 160 | 68.4 Ų | 68.4 | 70% | 0.696 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 107.5 | 169.4 | -71.9 | -177.4 | -179.9 | -178 | 0 | 108.3 | V182 | V182-K191 HydrophobicContact CG2-CG 4.15Å |
| 192 | V | 91.4 | Very high | 92.2 | Very high | 27 Ų | 27 | 73.3 Ų | 73.3 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 147.9 | 176.1 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | S180 S181 R183 E190 | S180-V192 CarbonylContact C-O 3.59Å; S180-V192 WeakPolarHBondContact CA-O 3.22Å; S181-V192 PolarHBondContact N-O 2.94Å; S181-V192 WeakPolarHBondContact O-CG2 3.49Å; S181-V192 PolarHBondContact O-N 2.91Å; R183-V192 HydrophobicContact CB-CG2 4.34Å; R183-V192 HydrophobicContact CG-CG2 3.75Å; E190-V192 HydrophobicContact CG-CG1 4.3Å |
| 193 | P | 93.3 | Very high | 92.2 | Very high | 111 Ų | 111 | 72.2 Ų | 72.2 | 72% | 0.721 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 138.9 | 169.3 | -23 | 33.9 | 0 | 0 | 0 | 111.2 | ||
| 194 | G | 95.1 | Very high | 92.5 | Very high | 8 Ų | 8 | 69.1 Ų | 69.1 | 8% | 0.082 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 157.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G179 F196 | G179-G194 CarbonylContact C-O 3.6Å; G179-G194 PolarHBondContact N-O 3.11Å; G179-G194 PolarHBondContact O-N 3.19Å; G194-F196 WeakPolarHBondContact O-CD2 3.35Å; G194-F196 WeakPolarHBondContact O-CE2 3.48Å |
| 195 | I | 97.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 134.5 | 180 | -55.1 | -59.3 | 0 | 0 | 0 | 108.9 | I176 D178 E217 V218 V226 L231 V234 | I176-I195 HydrophobicContact CB-CG2 3.84Å; I176-I195 HydrophobicContact CD1-CG2 3.99Å; I176-I195 HydrophobicContact CG1-CG2 4.45Å; I176-I195 HydrophobicContact CG2-CG2 4.18Å; D178-I195 VanDerWaalsContact OD1-CD1 3.25Å; D178-I195 WeakPolarHBondContact OD1-CD1 3.12Å; I195-E217 CarbonylContact O-C 3.53Å; I195-E217 WeakPolarHBondContact O-CA 3.21Å; I195-V218 HydrophobicContact CB-CB 4.23Å; I195-V218 HydrophobicContact CG2-CB 4.19Å; I195-V218 HydrophobicContact CG2-CG2 4.28Å; I195-V218 PolarHBondContact O-N 3.47Å; I195-V226 HydrophobicContact CB-CG2 4.45Å; I195-V226 HydrophobicContact CG1-CB 4.48Å; I195-V226 HydrophobicContact CG1-CG2 4.22Å; I195-L231 HydrophobicContact CD1-CD1 3.96Å; I195-L231 HydrophobicContact CG2-CD1 4.32Å; I195-V234 HydrophobicContact CG1-CG2 4.26Å; I195-V234 HydrophobicContact CG2-CG1 4.4Å |
| 196 | F | 97.8 | Very high | 93.3 | Very high | 23 Ų | 23 | 63.2 Ų | 63.2 | 10% | 0.101 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 149.3 | -176.4 | -62.4 | -94.6 | 0 | 0 | 0 | 111.2 | I176 R177 G194 S198 D216 E217 | I176-F196 CarbonylContact C-O 3.46Å; I176-F196 WeakPolarHBondContact CA-O 3.23Å; R177-F196 HydrophobicContact CG-CB 4.25Å; R177-F196 PolarHBondContact N-O 2.99Å; R177-F196 PolarHBondContact O-N 3.08Å; G194-F196 WeakPolarHBondContact O-CD2 3.35Å; G194-F196 WeakPolarHBondContact O-CE2 3.48Å; F196-S198 PolarHBondContact O-N 3.28Å; F196-D216 CarbonylContact C-O 3.49Å; F196-D216 VanDerWaalsContact CA-O 3.32Å; F196-D216 WeakPolarHBondContact CA-O 3.38Å; F196-E217 HydrophobicContact CD1-CB 3.88Å; F196-E217 HydrophobicContact CD1-CG 4.28Å; F196-E217 HydrophobicContact CE1-CB 3.63Å; F196-E217 HydrophobicContact CE1-CG 3.8Å; F196-E217 HydrophobicContact CZ-CB 4.37Å; F196-E217 HydrophobicContact CZ-CG 4.02Å |
| 197 | I | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 118.5 | 168.7 | -59.5 | -175.3 | 0 | 0 | 0 | 108.7 | F174 Y175 L200 L212 A213 N215 D216 V218 | F174-I197 HydrophobicContact CB-CG2 4.39Å; F174-I197 HydrophobicContact CD2-CD1 4.42Å; F174-I197 HydrophobicContact CD2-CG1 4.4Å; Y175-I197 CarbonylContact O-C 3.45Å; Y175-I197 WeakPolarHBondContact O-CA 3.19Å; I197-L200 HydrophobicContact CG2-CD2 3.99Å; I197-L212 HydrophobicContact CD1-CB 3.91Å; I197-L212 HydrophobicContact CD1-CD1 4.25Å; I197-L212 HydrophobicContact CD1-CD2 4.14Å; I197-L212 HydrophobicContact CD1-CG 4.32Å; I197-A213 WeakPolarHBondContact CB-O 3.43Å; I197-N215 PolarHBondContact O-N 2.98Å; I197-D216 HydrophobicContact CD1-CB 4.1Å; I197-D216 HydrophobicContact CG1-CB 4.36Å; I197-D216 PolarHBondContact N-O 2.86Å; I197-V218 HydrophobicContact CG1-CG2 4.24Å |
| 198 | S | 97.2 | Very high | 94 | Very high | 32 Ų | 32 | 57 Ų | 57 | 22% | 0.224 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -41 | -177.2 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | Y175 F196 V214 | Y175-S198 VanDerWaalsContact CB-OG 3.25Å; Y175-S198 WeakPolarHBondContact CB-OG 3.05Å; Y175-S198 PolarHBondContact O-N 2.86Å; Y175-S198 PolarHBondContact O-OG 2.99Å; F196-S198 PolarHBondContact O-N 3.28Å; S198-V214 VanDerWaalsContact O-CG1 3.25Å; S198-V214 WeakPolarHBondContact O-CG1 3.43Å |
| 199 | R | 96.3 | Very high | 94.1 | Very high | 105 Ų | 105 | 56.5 Ų | 56.5 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 157.5 | 178.6 | 69.9 | -169 | 176.9 | 105.9 | -17.6 | 111.3 | F174 Y175 | F174-R199 WeakPolarHBondContact CA-O 3.46Å; Y175-R199 HydrophobicContact CD2-CB 4.49Å; Y175-R199 HydrophobicContact CD2-CG 3.18Å; Y175-R199 VanDerWaalsContact CD2-CZ 3.49Å; Y175-R199 VanDerWaalsContact CD2-NE 3.32Å; Y175-R199 HydrophobicContact CE2-CG 3.89Å; Y175-R199 HydrophobicContact CG-CG 3.62Å; Y175-R199 PolarHBondContact N-O 3.04Å; Y175-R199 PolarHBondContact OH-NH1 2.93Å; Y175-R199 PolarHBondContact OH-NH2 2.84Å |
| 200 | L | 95.5 | Very high | 94.2 | Very high | 35 Ų | 35 | 52.5 Ų | 52.5 | 18% | 0.183 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 146.1 | 170.2 | -60.8 | 177.7 | 0 | 0 | 0 | 109.3 | F174 I197 A206 E207 L212 V214 | F174-L200 HydrophobicContact CB-CD2 3.52Å; I197-L200 HydrophobicContact CG2-CD2 3.99Å; L200-A206 HydrophobicContact CD2-CB 4.1Å; L200-E207 HydrophobicContact CB-CB 4.18Å; L200-E207 HydrophobicContact CB-CG 4.45Å; L200-E207 HydrophobicContact CD1-CB 4.37Å; L200-E207 HydrophobicContact CD1-CG 4.34Å; L200-L212 WeakPolarHBondContact CD1-O 3.34Å; L200-V214 HydrophobicContact CG-CG2 4.12Å |
| 201 | V | 95.4 | Very high | 94.3 | Very high | 38 Ų | 38 | 49 Ų | 49 | 23% | 0.23 | 30% | 0.299 | C | S | . | . | trans | -79.7 | 125.6 | 171.8 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | G173 Y175 G203 G204 E207 | G173-V201 PolarHBondContact O-N 2.69Å; Y175-V201 HydrophobicContact CD2-CG2 4.42Å; Y175-V201 HydrophobicContact CE2-CG2 3.43Å; Y175-V201 VanDerWaalsContact CE2-CG2 3.43Å; V201-G203 PolarHBondContact O-N 2.96Å; V201-G204 WeakPolarHBondContact O-CA 3.17Å; V201-G204 PolarHBondContact O-N 3.39Å; V201-E207 WeakPolarHBondContact O-CB 3.02Å | ||
| 202 | P | 93.3 | Very high | 94.6 | Very high | 110 Ų | 110 | 41.7 Ų | 41.7 | 71% | 0.714 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 126 | 172.6 | -26.9 | 36.4 | 0 | 0 | 0 | 112.3 | G204 E207 | P202-G204 PolarHBondContact O-N 2.88Å; P202-E207 WeakPolarHBondContact CA-OE2 3.27Å |
| 203 | G | 91 | Very high | 94.8 | Very high | 63 Ų | 63 | 42 Ų | 42 | 65% | 0.649 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.9 | 8.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V201 E207 | V201-G203 PolarHBondContact O-N 2.96Å; G203-E207 PolarHBondContact N-OE2 3.17Å |
| 204 | G | 92.3 | Very high | 94.9 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | trans | -71.2 | 167.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V201 P202 A206 E207 S208 | V201-G204 WeakPolarHBondContact O-CA 3.17Å; V201-G204 PolarHBondContact O-N 3.39Å; P202-G204 PolarHBondContact O-N 2.88Å; G204-A206 PolarHBondContact O-N 2.72Å; G204-E207 PolarHBondContact O-N 3.34Å; G204-S208 VanDerWaalsContact O-CB 3.27Å; G204-S208 WeakPolarHBondContact O-CB 3.42Å; G204-S208 PolarHBondContact O-N 3.31Å; G204-S208 PolarHBondContact O-OG 3.38Å | ||
| 205 | L | 93.3 | Very high | 94.9 | Very high | 32 Ų | 32 | 43 Ų | 43 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.2 | -52.1 | -179.9 | 174.1 | 65.9 | 0 | 0 | 0 | 111.3 | V145 L163 K165 L172 E207 S208 T209 | V145-L205 HydrophobicContact CG1-CD1 3.42Å; V145-L205 VanDerWaalsContact CG1-CD1 3.42Å; L163-L205 HydrophobicContact CB-CD2 4.36Å; K165-L205 HydrophobicContact CB-CD2 4.38Å; L172-L205 HydrophobicContact CD2-CD2 4.15Å; L172-L205 WeakPolarHBondContact O-CB 3.5Å; L205-E207 PolarHBondContact O-N 2.86Å; L205-S208 PolarHBondContact O-N 3.45Å; L205-T209 HydrophobicContact CD1-CG2 4.31Å; L205-T209 WeakPolarHBondContact O-CG2 3.49Å; L205-T209 PolarHBondContact O-N 2.78Å |
| 206 | A | 94.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L172 F174 L200 G204 T209 L212 | L172-A206 WeakPolarHBondContact O-CB 3.49Å; L172-A206 PolarHBondContact O-N 3.38Å; F174-A206 HydrophobicContact CB-CB 3.91Å; F174-A206 HydrophobicContact CD1-CB 3.61Å; F174-A206 HydrophobicContact CG-CB 4.15Å; L200-A206 HydrophobicContact CD2-CB 4.1Å; G204-A206 PolarHBondContact O-N 2.72Å; A206-T209 PolarHBondContact O-N 3.35Å; A206-T209 PolarHBondContact O-OG1 2.97Å; A206-L212 HydrophobicContact CB-CD1 4.08Å |
| 207 | E | 94.1 | Very high | 94.9 | Very high | 84 Ų | 84 | 42.3 Ų | 42.3 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 178 | -166.2 | -167.7 | -126.8 | 0 | 0 | 111.6 | L200 V201 P202 G203 G204 L205 T209 G210 | L200-E207 HydrophobicContact CB-CB 4.18Å; L200-E207 HydrophobicContact CB-CG 4.45Å; L200-E207 HydrophobicContact CD1-CB 4.37Å; L200-E207 HydrophobicContact CD1-CG 4.34Å; V201-E207 WeakPolarHBondContact O-CB 3.02Å; P202-E207 WeakPolarHBondContact CA-OE2 3.27Å; G203-E207 PolarHBondContact N-OE2 3.17Å; G204-E207 PolarHBondContact O-N 3.34Å; L205-E207 PolarHBondContact O-N 2.86Å; E207-T209 PolarHBondContact O-N 3.17Å; E207-T209 VanDerWaalsContact O-N 3.14Å; E207-G210 PolarHBondContact O-N 2.82Å |
| 208 | S | 92.7 | Very high | 94.9 | Very high | 86 Ų | 86 | 42.4 Ų | 42.4 | 60% | 0.601 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.1 | -26.7 | -179 | -59 | 0 | 0 | 0 | 0 | 112.9 | G204 L205 | G204-S208 VanDerWaalsContact O-CB 3.27Å; G204-S208 WeakPolarHBondContact O-CB 3.42Å; G204-S208 PolarHBondContact O-N 3.31Å; G204-S208 PolarHBondContact O-OG 3.38Å; L205-S208 PolarHBondContact O-N 3.45Å |
| 209 | T | 92.9 | Very high | 94.8 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 15% | 0.153 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -76.5 | -26.6 | 177.7 | 71.1 | 0 | 0 | 0 | 0 | 112.3 | V145 S146 L163 L205 A206 E207 L211 | V145-T209 HydrophobicContact CG1-CG2 4.23Å; S146-T209 WeakPolarHBondContact OG-CG2 3.37Å; L163-T209 HydrophobicContact CD2-CG2 3.78Å; L205-T209 HydrophobicContact CD1-CG2 4.31Å; L205-T209 WeakPolarHBondContact O-CG2 3.49Å; L205-T209 PolarHBondContact O-N 2.78Å; A206-T209 PolarHBondContact O-N 3.35Å; A206-T209 PolarHBondContact O-OG1 2.97Å; E207-T209 PolarHBondContact O-N 3.17Å; E207-T209 VanDerWaalsContact O-N 3.14Å; T209-L211 PolarHBondContact O-N 3.31Å; T209-L211 VanDerWaalsContact O-N 3.08Å; T209-L211 PolarHBondContact OG1-N 3.08Å |
| 210 | G | 93.8 | Very high | 94.9 | Very high | 55 Ų | 55 | 39 Ų | 39 | 57% | 0.567 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 7.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E207 | E207-G210 PolarHBondContact O-N 2.82Š|
| 211 | L | 95 | Very high | 95 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -89 | -18 | -176.3 | -62.9 | -176.8 | 0 | 0 | 0 | 113.2 | I148 R159 V161 T209 | I148-L211 HydrophobicContact CD1-CD2 3.73Å; I148-L211 HydrophobicContact CG1-CD1 3.96Å; I148-L211 HydrophobicContact CG1-CD2 3.78Å; I148-L211 HydrophobicContact CG1-CG 4.49Å; R159-L211 WeakPolarHBondContact CD-O 3.42Å; R159-L211 PolarHBondContact NH1-O 3.4Å; V161-L211 HydrophobicContact CG1-CB 3.89Å; V161-L211 HydrophobicContact CG1-CD1 3.73Å; V161-L211 HydrophobicContact CG1-CG 4.48Å; V161-L211 HydrophobicContact CG2-CB 3.91Å; T209-L211 PolarHBondContact O-N 3.31Å; T209-L211 VanDerWaalsContact O-N 3.08Å; T209-L211 PolarHBondContact OG1-N 3.08Å |
| 212 | L | 95.8 | Very high | 95.1 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | trans | -119.6 | 143.3 | 177.8 | -62 | 178.9 | 0 | 0 | 0 | 109.6 | V161 L163 F174 I197 L200 A206 I247 V249 | V161-L212 HydrophobicContact CB-CD2 4.45Å; V161-L212 HydrophobicContact CG2-CD2 4.12Å; L163-L212 HydrophobicContact CD1-CD1 3.95Å; F174-L212 HydrophobicContact CD1-CD1 4.32Å; F174-L212 HydrophobicContact CE1-CD1 4.28Å; I197-L212 HydrophobicContact CD1-CB 3.91Å; I197-L212 HydrophobicContact CD1-CD1 4.25Å; I197-L212 HydrophobicContact CD1-CD2 4.14Å; I197-L212 HydrophobicContact CD1-CG 4.32Å; L200-L212 WeakPolarHBondContact CD1-O 3.34Å; A206-L212 HydrophobicContact CB-CD1 4.08Å; L212-I247 HydrophobicContact CD1-CG2 4.38Å; L212-I247 HydrophobicContact CD2-CG2 4.17Å; L212-V249 HydrophobicContact CD2-CG1 3.94Å; L212-V249 HydrophobicContact CD2-CG2 4.04Å | ||
| 213 | A | 95.6 | Very high | 95.2 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 28% | 0.281 | 24% | 0.244 | S | C | . | . | trans | -132.5 | 158.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I197 D216 | I197-A213 WeakPolarHBondContact CB-O 3.43Å; A213-D216 PolarHBondContact N-OD2 2.72Å; A213-D216 WeakPolarHBondContact O-CB 3.15Å; A213-D216 VanDerWaalsContact O-CG 3.23Å; A213-D216 PolarHBondContact O-N 2.83Å | ||
| 214 | V | 95.9 | Very high | 95.4 | Very high | 56 Ų | 56 | 36.5 Ų | 36.5 | 34% | 0.339 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 139.1 | 170.6 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | S198 L200 D216 | S198-V214 VanDerWaalsContact O-CG1 3.25Å; S198-V214 WeakPolarHBondContact O-CG1 3.43Å; L200-V214 HydrophobicContact CG-CG2 4.12Å; V214-D216 VanDerWaalsContact C-N 3.3Å |
| 215 | N | 96.1 | Very high | 95.6 | Very high | 84 Ų | 84 | 41.9 Ų | 41.9 | 45% | 0.449 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 2.3 | -174.2 | -53.2 | -55 | 0 | 0 | 0 | 116.2 | R177 I197 E217 A252 | R177-N215 PolarHBondContact NH2-OD1 2.78Å; I197-N215 PolarHBondContact O-N 2.98Å; N215-E217 PolarHBondContact O-N 3.18Å; N215-A252 HydrophobicContact CB-CB 3.82Å |
| 216 | D | 96.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 132.9 | 168.3 | -69.5 | -7.8 | 0 | 0 | 0 | 109.7 | F196 I197 A213 V214 V249 P251 A252 | F196-D216 CarbonylContact C-O 3.49Å; F196-D216 VanDerWaalsContact CA-O 3.32Å; F196-D216 WeakPolarHBondContact CA-O 3.38Å; I197-D216 HydrophobicContact CD1-CB 4.1Å; I197-D216 HydrophobicContact CG1-CB 4.36Å; I197-D216 PolarHBondContact N-O 2.86Å; A213-D216 PolarHBondContact N-OD2 2.72Å; A213-D216 WeakPolarHBondContact O-CB 3.15Å; A213-D216 VanDerWaalsContact O-CG 3.23Å; A213-D216 PolarHBondContact O-N 2.83Å; V214-D216 VanDerWaalsContact C-N 3.3Å; D216-V249 HydrophobicContact CB-CB 4.26Å; D216-V249 HydrophobicContact CB-CG2 4.47Å; D216-P251 VanDerWaalsContact OD1-CA 3.26Å; D216-P251 WeakPolarHBondContact OD1-CA 3.32Å; D216-A252 PolarHBondContact OD1-N 3.36Å |
| 217 | E | 96.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 122.5 | 177.2 | -175 | -176.4 | 169.3 | 0 | 0 | 108.7 | S181 R183 I195 F196 N215 L219 V249 K250 | S181-E217 WeakPolarHBondContact CB-OE1 2.84Å; S181-E217 VanDerWaalsContact OG-CD 3.22Å; S181-E217 PolarHBondContact OG-OE1 3.24Å; S181-E217 PolarHBondContact OG-OE2 3.33Å; R183-E217 IonicContact CZ-OE1 2.74Å; R183-E217 IonicContact NE-OE1 3.05Å; R183-E217 IonicContact NH2-OE1 2.77Å; R183-E217 PolarHBondContact NH2-OE1 3.14Å; I195-E217 CarbonylContact O-C 3.53Å; I195-E217 WeakPolarHBondContact O-CA 3.21Å; F196-E217 HydrophobicContact CD1-CB 3.88Å; F196-E217 HydrophobicContact CD1-CG 4.28Å; F196-E217 HydrophobicContact CE1-CB 3.63Å; F196-E217 HydrophobicContact CE1-CG 3.8Å; F196-E217 HydrophobicContact CZ-CB 4.37Å; F196-E217 HydrophobicContact CZ-CG 4.02Å; N215-E217 PolarHBondContact O-N 3.18Å; E217-L219 HydrophobicContact CG-CD2 3.95Å; E217-V249 CarbonylContact O-C 3.57Å; E217-V249 WeakPolarHBondContact O-CA 3.2Å; E217-V249 WeakPolarHBondContact O-CB 3.25Å; E217-K250 HydrophobicContact CB-CB 4.23Å; E217-K250 PolarHBondContact N-O 3.07Å; E217-K250 PolarHBondContact O-N 3.15Å |
| 218 | V | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 130.6 | 175.4 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | I176 I195 I197 V221 V226 M238 I247 V249 | I176-V218 HydrophobicContact CG2-CG2 4.35Å; I195-V218 HydrophobicContact CB-CB 4.23Å; I195-V218 HydrophobicContact CG2-CB 4.19Å; I195-V218 HydrophobicContact CG2-CG2 4.28Å; I195-V218 PolarHBondContact O-N 3.47Å; I197-V218 HydrophobicContact CG1-CG2 4.24Å; V218-V221 HydrophobicContact CG1-CG2 4.2Å; V218-V226 HydrophobicContact CG1-CG1 4.11Å; V218-V226 WeakPolarHBondContact O-CG2 3.17Å; V218-M238 HydrophobicContact CG1-CE 3.88Å; V218-M238 HydrophobicContact CG2-CE 4.35Å; V218-I247 HydrophobicContact CG1-CD1 3.92Å; V218-I247 HydrophobicContact CG1-CG1 3.95Å; V218-I247 HydrophobicContact CG2-CD1 3.97Å; V218-V249 HydrophobicContact CG2-CG1 4.39Å |
| 219 | L | 96.8 | Very high | 95.7 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -39.2 | -178.4 | -57.6 | -177.4 | 0 | 0 | 0 | 112.5 | H158 E217 E225 V226 T248 K250 | H158-L219 WeakPolarHBondContact CD2-CD1 3.29Å; H158-L219 WeakPolarHBondContact NE2-CD1 3.26Å; E217-L219 HydrophobicContact CG-CD2 3.95Å; L219-E225 WeakPolarHBondContact O-CA 3.3Å; L219-V226 WeakPolarHBondContact O-CG2 3.37Å; L219-V226 PolarHBondContact O-N 3.36Å; L219-T248 PolarHBondContact N-O 2.93Å; L219-K250 HydrophobicContact CD1-CB 4.2Å |
| 220 | E | 97.7 | Very high | 95.9 | Very high | 40 Ų | 40 | 44.4 Ų | 44.4 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 147.9 | -177.4 | -52.2 | 172.2 | 152.5 | 0 | 0 | 111 | R160 I224 E225 I247 T248 | R160-E220 IonicContact CZ-OE2 3.13Å; R160-E220 IonicContact NE-OE2 3.67Å; R160-E220 IonicContact NH2-OE2 2.8Å; R160-E220 PolarHBondContact NH2-OE2 2.82Å; E220-I224 WeakPolarHBondContact CA-O 3.47Å; E220-E225 HydrophobicContact CG-CG 4.27Å; E220-I247 WeakPolarHBondContact O-CA 3.43Å; E220-T248 PolarHBondContact N-O 2.81Å; E220-T248 PolarHBondContact O-N 2.79Å; E220-T248 WeakPolarHBondContact OE2-CB 3.35Å; E220-T248 PolarHBondContact OE2-OG1 2.87Å |
| 221 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.1 | 170.5 | 176.3 | 0 | 0 | 0 | 0 | 108.5 | V218 G223 I224 V226 V234 M237 M238 L245 I246 | V218-V221 HydrophobicContact CG1-CG2 4.2Å; V221-G223 PolarHBondContact O-N 2.87Å; V221-I224 PolarHBondContact N-O 3.5Å; V221-I224 WeakPolarHBondContact O-CB 3.37Å; V221-I224 PolarHBondContact O-N 2.95Å; V221-V226 HydrophobicContact CG2-CG1 4.12Å; V221-V234 HydrophobicContact CG2-CG1 4.38Å; V221-M237 HydrophobicContact CB-CE 4.05Å; V221-M237 HydrophobicContact CG1-CB 4.25Å; V221-M238 HydrophobicContact CG1-CG 4.05Å; V221-M238 HydrophobicContact CG2-CE 3.59Å; V221-M238 HydrophobicContact CG2-CG 3.96Å; V221-L245 HydrophobicContact CG1-CD1 3.72Å; V221-I246 CarbonylContact C-O 3.53Å; V221-I246 WeakPolarHBondContact CA-O 3.44Å |
| 222 | N | 96.7 | Very high | 96.1 | Very high | 49 Ų | 49 | 47 Ų | 47 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 40.3 | -178.5 | -73.6 | 41.3 | 0 | 0 | 0 | 113.6 | I224 N241 N244 I246 | N222-I224 VanDerWaalsContact C-N 3.34Å; N222-N241 WeakPolarHBondContact ND2-CB 3.42Å; N222-N241 PolarHBondContact ND2-OD1 2.94Å; N222-N244 PolarHBondContact ND2-O 3.28Å; N222-I246 PolarHBondContact N-O 2.71Å; N222-I246 PolarHBondContact OD1-N 2.94Å; N222-I246 PolarHBondContact OD1-O 3.33Å |
| 223 | G | 94.9 | Very high | 96.2 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 63% | 0.629 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 8.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V221 | V221-G223 PolarHBondContact O-N 2.87Š|
| 224 | I | 96.9 | Very high | 96.3 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 43% | 0.431 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.4 | 177 | -45.8 | 169.9 | 0 | 0 | 0 | 109.3 | E220 V221 N222 M237 | E220-I224 WeakPolarHBondContact CA-O 3.47Å; V221-I224 PolarHBondContact N-O 3.5Å; V221-I224 WeakPolarHBondContact O-CB 3.37Å; V221-I224 PolarHBondContact O-N 2.95Å; N222-I224 VanDerWaalsContact C-N 3.34Å; I224-M237 HydrophobicContact CB-CE 3.6Å; I224-M237 HydrophobicContact CD1-CE 3.96Å; I224-M237 HydrophobicContact CG1-CE 4.31Å; I224-M237 HydrophobicContact CG2-CE 3.93Å |
| 225 | E | 96.6 | Very high | 96.4 | Very high | 123 Ų | 123 | 47.7 Ų | 47.7 | 58% | 0.575 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 145.4 | 176.7 | -64.9 | -177.4 | -174.4 | 0 | 0 | 111.8 | L219 E220 K229 | L219-E225 WeakPolarHBondContact O-CA 3.3Å; E220-E225 HydrophobicContact CG-CG 4.27Å; E225-K229 WeakPolarHBondContact O-CE 3.48Å; E225-K229 PolarHBondContact O-NZ 3.44Å |
| 226 | V | 96.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | trans | -95 | -8.1 | 178.3 | -52.8 | 0 | 0 | 0 | 0 | 113.4 | I195 V218 L219 V221 G228 K229 V234 | I195-V226 HydrophobicContact CB-CG2 4.45Å; I195-V226 HydrophobicContact CG1-CB 4.48Å; I195-V226 HydrophobicContact CG1-CG2 4.22Å; V218-V226 HydrophobicContact CG1-CG1 4.11Å; V218-V226 WeakPolarHBondContact O-CG2 3.17Å; L219-V226 WeakPolarHBondContact O-CG2 3.37Å; L219-V226 PolarHBondContact O-N 3.36Å; V221-V226 HydrophobicContact CG2-CG1 4.12Å; V226-G228 PolarHBondContact O-N 3Å; V226-K229 WeakPolarHBondContact O-CB 3.46Å; V226-K229 PolarHBondContact O-N 3.42Å; V226-K229 VanDerWaalsContact O-N 3.15Å; V226-V234 HydrophobicContact CB-CG2 3.83Å; V226-V234 HydrophobicContact CG1-CG1 3.93Å; V226-V234 HydrophobicContact CG1-CG2 3.96Å | ||
| 227 | V | 92.8 | Very high | 96.4 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 47% | 0.467 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 129 | 178.8 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | K229 | V227-K229 VanDerWaalsContact C-N 3.28Å; V227-K229 PolarHBondContact O-N 3.17Å |
| 228 | G | 91.7 | Very high | 96.4 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 88% | 0.876 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 5.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V226 | V226-G228 PolarHBondContact O-N 3Š|
| 229 | K | 95.6 | Very high | 96.2 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | trans | -97.7 | 150.3 | 173.4 | -60.2 | -170.1 | 176.9 | -175.7 | 0 | 111.4 | E225 V226 V227 Q233 V234 M237 | E225-K229 WeakPolarHBondContact O-CE 3.48Å; E225-K229 PolarHBondContact O-NZ 3.44Å; V226-K229 WeakPolarHBondContact O-CB 3.46Å; V226-K229 PolarHBondContact O-N 3.42Å; V226-K229 VanDerWaalsContact O-N 3.15Å; V227-K229 VanDerWaalsContact C-N 3.28Å; V227-K229 PolarHBondContact O-N 3.17Å; K229-Q233 HydrophobicContact CB-CB 4.35Å; K229-V234 HydrophobicContact CB-CG2 3.83Å; K229-V234 HydrophobicContact CD-CG2 4.47Å; K229-M237 HydrophobicContact CD-CE 4.5Å; K229-M237 HydrophobicContact CD-SD 3.69Å; K229-M237 VanDerWaalsContact NZ-CE 3.26Å; K229-M237 PolarHBondContact NZ-SD 3.3Å | ||
| 230 | S | 96.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | trans | -74 | 157.2 | 171.9 | 69.7 | 0 | 0 | 0 | 0 | 111.3 | D232 Q233 V234 | S230-D232 PolarHBondContact O-N 3Å; S230-Q233 WeakPolarHBondContact O-CB 3.21Å; S230-Q233 PolarHBondContact O-N 3.09Å; S230-Q233 VanDerWaalsContact O-N 3.16Å; S230-Q233 VanDerWaalsContact OG-CG 3.28Å; S230-Q233 WeakPolarHBondContact OG-CG 3.12Å; S230-Q233 PolarHBondContact OG-N 3.46Å; S230-V234 WeakPolarHBondContact O-CG2 3.32Å; S230-V234 PolarHBondContact O-N 3.04Å; S230-V234 VanDerWaalsContact O-N 3.07Å | ||
| 231 | L | 96.8 | Very high | 95.9 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -52 | -43.1 | 173.9 | -174.6 | 63.2 | 0 | 0 | 0 | 112.3 | I176 I195 V234 T235 | I176-L231 HydrophobicContact CB-CD1 4.24Å; I176-L231 HydrophobicContact CD1-CD1 3.82Å; I176-L231 HydrophobicContact CG1-CD1 3.75Å; I195-L231 HydrophobicContact CD1-CD1 3.96Å; I195-L231 HydrophobicContact CG2-CD1 4.32Å; L231-V234 PolarHBondContact O-N 3.35Å; L231-T235 WeakPolarHBondContact O-CB 3.4Å; L231-T235 PolarHBondContact O-N 3.29Å; L231-T235 PolarHBondContact O-OG1 2.85Å |
| 232 | D | 97.1 | Very high | 95.7 | Very high | 101 Ų | 101 | 56 Ų | 56 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 179.5 | -61 | -24.8 | 0 | 0 | 0 | 111.5 | S230 V234 T235 D236 | S230-D232 PolarHBondContact O-N 3Å; D232-V234 VanDerWaalsContact C-N 3.31Å; D232-V234 PolarHBondContact O-N 3.38Å; D232-T235 WeakPolarHBondContact O-CB 3.41Å; D232-T235 PolarHBondContact O-N 2.85Å; D232-T235 VanDerWaalsContact O-N 3.14Å; D232-D236 PolarHBondContact O-N 3.33Å |
| 233 | Q | 97.3 | Very high | 95.5 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 47% | 0.472 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 176.8 | -74 | 171.8 | -16.1 | 0 | 0 | 111.9 | K229 S230 T235 D236 M237 | K229-Q233 HydrophobicContact CB-CB 4.35Å; S230-Q233 WeakPolarHBondContact O-CB 3.21Å; S230-Q233 PolarHBondContact O-N 3.09Å; S230-Q233 VanDerWaalsContact O-N 3.16Å; S230-Q233 VanDerWaalsContact OG-CG 3.28Å; S230-Q233 WeakPolarHBondContact OG-CG 3.12Å; S230-Q233 PolarHBondContact OG-N 3.46Å; Q233-T235 VanDerWaalsContact C-N 3.33Å; Q233-D236 PolarHBondContact O-N 3.44Å; Q233-M237 WeakPolarHBondContact O-CG 3.44Å; Q233-M237 PolarHBondContact O-N 3.08Å |
| 234 | V | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 177.9 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | I176 I195 V221 V226 K229 S230 L231 D232 M237 M238 | I176-V234 HydrophobicContact CD1-CB 4.29Å; I176-V234 HydrophobicContact CD1-CG1 3.86Å; I195-V234 HydrophobicContact CG1-CG2 4.26Å; I195-V234 HydrophobicContact CG2-CG1 4.4Å; V221-V234 HydrophobicContact CG2-CG1 4.38Å; V226-V234 HydrophobicContact CB-CG2 3.83Å; V226-V234 HydrophobicContact CG1-CG1 3.93Å; V226-V234 HydrophobicContact CG1-CG2 3.96Å; K229-V234 HydrophobicContact CB-CG2 3.83Å; K229-V234 HydrophobicContact CD-CG2 4.47Å; S230-V234 WeakPolarHBondContact O-CG2 3.32Å; S230-V234 PolarHBondContact O-N 3.04Å; S230-V234 VanDerWaalsContact O-N 3.07Å; L231-V234 PolarHBondContact O-N 3.35Å; D232-V234 VanDerWaalsContact C-N 3.31Å; D232-V234 PolarHBondContact O-N 3.38Å; V234-M237 PolarHBondContact O-N 3.06Å; V234-M238 HydrophobicContact CG1-CE 3.93Å; V234-M238 WeakPolarHBondContact O-CG 3.49Å; V234-M238 PolarHBondContact O-N 3.22Å |
| 235 | T | 96.8 | Very high | 95.4 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -50.5 | 173.9 | -59 | 0 | 0 | 0 | 0 | 110.9 | L231 D232 Q233 M237 M238 I239 I405 | L231-T235 WeakPolarHBondContact O-CB 3.4Å; L231-T235 PolarHBondContact O-N 3.29Å; L231-T235 PolarHBondContact O-OG1 2.85Å; D232-T235 WeakPolarHBondContact O-CB 3.41Å; D232-T235 PolarHBondContact O-N 2.85Å; D232-T235 VanDerWaalsContact O-N 3.14Å; Q233-T235 VanDerWaalsContact C-N 3.33Å; T235-M237 VanDerWaalsContact C-N 3.3Å; T235-M237 PolarHBondContact O-N 3.32Å; T235-M238 PolarHBondContact O-N 3Å; T235-M238 VanDerWaalsContact O-N 3.08Å; T235-I239 HydrophobicContact CG2-CD1 3.83Å; T235-I239 HydrophobicContact CG2-CG1 4.45Å; T235-I239 WeakPolarHBondContact O-CG1 3.46Å; T235-I239 PolarHBondContact O-N 2.92Å; T235-I405 HydrophobicContact CG2-CG1 4.12Å |
| 236 | D | 96.8 | Very high | 95.5 | Very high | 104 Ų | 104 | 50.4 Ų | 50.4 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.2 | -41.7 | 178 | -71 | -19.8 | 0 | 0 | 0 | 111.8 | D232 Q233 M238 I239 A240 | D232-D236 PolarHBondContact O-N 3.33Å; Q233-D236 PolarHBondContact O-N 3.44Å; D236-M238 VanDerWaalsContact C-N 3.33Å; D236-M238 PolarHBondContact O-N 3.46Å; D236-I239 PolarHBondContact O-N 3.46Å; D236-A240 VanDerWaalsContact O-CB 3.3Å; D236-A240 WeakPolarHBondContact O-CB 3.25Å; D236-A240 PolarHBondContact O-N 2.93Å |
| 237 | M | 97 | Very high | 95.6 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 14% | 0.143 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 175.4 | -72.3 | 168.1 | 61.2 | 0 | 0 | 112.3 | V221 I224 K229 Q233 V234 T235 N241 | V221-M237 HydrophobicContact CB-CE 4.05Å; V221-M237 HydrophobicContact CG1-CB 4.25Å; I224-M237 HydrophobicContact CB-CE 3.6Å; I224-M237 HydrophobicContact CD1-CE 3.96Å; I224-M237 HydrophobicContact CG1-CE 4.31Å; I224-M237 HydrophobicContact CG2-CE 3.93Å; K229-M237 HydrophobicContact CD-CE 4.5Å; K229-M237 HydrophobicContact CD-SD 3.69Å; K229-M237 VanDerWaalsContact NZ-CE 3.26Å; K229-M237 PolarHBondContact NZ-SD 3.3Å; Q233-M237 WeakPolarHBondContact O-CG 3.44Å; Q233-M237 PolarHBondContact O-N 3.08Å; V234-M237 PolarHBondContact O-N 3.06Å; T235-M237 VanDerWaalsContact C-N 3.3Å; T235-M237 PolarHBondContact O-N 3.32Å; M237-N241 PolarHBondContact O-N 3.41Å; M237-N241 PolarHBondContact O-ND2 3.05Å |
| 238 | M | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 176.9 | -69.4 | -175.8 | -179 | 0 | 0 | 111.7 | F174 I176 V218 V221 V234 T235 D236 N241 S242 L245 I247 I405 | F174-M238 HydrophobicContact CE2-CE 4.26Å; F174-M238 HydrophobicContact CE2-SD 3.75Å; F174-M238 HydrophobicContact CZ-CE 4.49Å; F174-M238 HydrophobicContact CZ-SD 3.79Å; I176-M238 HydrophobicContact CD1-CE 4.31Å; I176-M238 HydrophobicContact CD1-SD 4.17Å; I176-M238 HydrophobicContact CG2-CE 4.17Å; I176-M238 HydrophobicContact CG2-SD 4.36Å; V218-M238 HydrophobicContact CG1-CE 3.88Å; V218-M238 HydrophobicContact CG2-CE 4.35Å; V221-M238 HydrophobicContact CG1-CG 4.05Å; V221-M238 HydrophobicContact CG2-CE 3.59Å; V221-M238 HydrophobicContact CG2-CG 3.96Å; V234-M238 HydrophobicContact CG1-CE 3.93Å; V234-M238 WeakPolarHBondContact O-CG 3.49Å; V234-M238 PolarHBondContact O-N 3.22Å; T235-M238 PolarHBondContact O-N 3Å; T235-M238 VanDerWaalsContact O-N 3.08Å; D236-M238 VanDerWaalsContact C-N 3.33Å; D236-M238 PolarHBondContact O-N 3.46Å; M238-N241 CarbonylContact O-C 3.57Å; M238-N241 PolarHBondContact O-N 3.1Å; M238-S242 VanDerWaalsContact O-CA 3.31Å; M238-S242 WeakPolarHBondContact O-CA 3.34Å; M238-S242 WeakPolarHBondContact O-CB 3.28Å; M238-S242 PolarHBondContact O-N 3.38Å; M238-L245 HydrophobicContact CB-CD1 4.29Å; M238-L245 HydrophobicContact CG-CD1 4.19Å; M238-I247 HydrophobicContact CE-CD1 3.7Å; M238-I247 HydrophobicContact CE-CG1 4.49Å; M238-I405 HydrophobicContact SD-CD1 4.05Å |
| 239 | I | 93.9 | Very high | 96.1 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.5 | -48.9 | 177.7 | -67.7 | 170.3 | 0 | 0 | 0 | 110.5 | T235 D236 N241 S242 I405 | T235-I239 HydrophobicContact CG2-CD1 3.83Å; T235-I239 HydrophobicContact CG2-CG1 4.45Å; T235-I239 WeakPolarHBondContact O-CG1 3.46Å; T235-I239 PolarHBondContact O-N 2.92Å; D236-I239 PolarHBondContact O-N 3.46Å; I239-N241 PolarHBondContact O-N 2.79Å; I239-S242 VanDerWaalsContact O-CB 3.22Å; I239-S242 WeakPolarHBondContact O-CB 3.45Å; I239-S242 PolarHBondContact O-N 2.82Å; I239-S242 PolarHBondContact O-OG 2.85Å; I239-I405 HydrophobicContact CD1-CG2 4.03Å; I239-I405 HydrophobicContact CG1-CG2 3.44Å; I239-I405 VanDerWaalsContact CG1-CG2 3.44Å |
| 240 | A | 94.1 | Very high | 96.1 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 68% | 0.678 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -58.2 | -31 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D236 | D236-A240 VanDerWaalsContact O-CB 3.3Å; D236-A240 WeakPolarHBondContact O-CB 3.25Å; D236-A240 PolarHBondContact O-N 2.93Å |
| 241 | N | 95.1 | Very high | 96 | Very high | 58 Ų | 58 | 41.4 Ų | 41.4 | 31% | 0.31 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 13.5 | 179.6 | -66.3 | -79.1 | 0 | 0 | 0 | 113.6 | N222 M237 M238 I239 H243 N244 L245 | N222-N241 WeakPolarHBondContact ND2-CB 3.42Å; N222-N241 PolarHBondContact ND2-OD1 2.94Å; M237-N241 PolarHBondContact O-N 3.41Å; M237-N241 PolarHBondContact O-ND2 3.05Å; M238-N241 CarbonylContact O-C 3.57Å; M238-N241 PolarHBondContact O-N 3.1Å; I239-N241 PolarHBondContact O-N 2.79Å; N241-H243 PolarHBondContact O-N 3.46Å; N241-H243 VanDerWaalsContact O-N 3.08Å; N241-N244 CarbonylContact O-C 3.44Å; N241-N244 PolarHBondContact O-N 2.8Å; N241-L245 HydrophobicContact CB-CD1 4.27Å; N241-L245 WeakPolarHBondContact O-CA 3.19Å; N241-L245 PolarHBondContact O-N 3.47Å; N241-L245 VanDerWaalsContact O-N 3.11Å |
| 242 | S | 93.1 | Very high | 95.6 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.6 | -168.4 | 59.6 | 0 | 0 | 0 | 0 | 114.6 | K165 M238 I239 N244 | K165-S242 WeakPolarHBondContact CB-O 3.42Å; M238-S242 VanDerWaalsContact O-CA 3.31Å; M238-S242 WeakPolarHBondContact O-CA 3.34Å; M238-S242 WeakPolarHBondContact O-CB 3.28Å; M238-S242 PolarHBondContact O-N 3.38Å; I239-S242 VanDerWaalsContact O-CB 3.22Å; I239-S242 WeakPolarHBondContact O-CB 3.45Å; I239-S242 PolarHBondContact O-N 2.82Å; I239-S242 PolarHBondContact O-OG 2.85Å; S242-N244 VanDerWaalsContact C-N 3.35Å |
| 243 | H | 91.5 | Very high | 94.2 | Very high | 104 Ų | 104 | 42.6 Ų | 42.6 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -32.8 | 175.2 | -74.9 | -67.6 | 0 | 0 | 0 | 113.6 | K165 N241 | K165-H243 PolarHBondContact N-O 3.24Å; N241-H243 PolarHBondContact O-N 3.46Å; N241-H243 VanDerWaalsContact O-N 3.08Å |
| 244 | N | 94.6 | Very high | 92.6 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 31% | 0.305 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 72 | -176.6 | 177.8 | 32.6 | 0 | 0 | 0 | 108.9 | R162 N222 N241 S242 | R162-N244 PolarHBondContact NE-OD1 3.16Å; R162-N244 PolarHBondContact NH2-ND2 2.99Å; R162-N244 PolarHBondContact NH2-OD1 3.31Å; R162-N244 VanDerWaalsContact NH2-OD1 3.07Å; N222-N244 PolarHBondContact ND2-O 3.28Å; N241-N244 CarbonylContact O-C 3.44Å; N241-N244 PolarHBondContact O-N 2.8Å; S242-N244 VanDerWaalsContact C-N 3.35Å |
| 245 | L | 97.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 130.9 | -176 | -176.6 | 72.1 | 0 | 0 | 0 | 109.5 | R162 L163 L172 F174 V221 M238 N241 I247 | R162-L245 CarbonylContact C-O 3.6Å; R162-L245 VanDerWaalsContact CA-O 3.29Å; R162-L245 WeakPolarHBondContact CA-O 3.41Å; L163-L245 HydrophobicContact CB-CB 4.46Å; L163-L245 PolarHBondContact N-O 2.73Å; L163-L245 PolarHBondContact O-N 3.26Å; L172-L245 HydrophobicContact CD1-CD2 3.75Å; L172-L245 HydrophobicContact CD2-CD2 4.46Å; F174-L245 HydrophobicContact CE1-CD2 4.2Å; F174-L245 HydrophobicContact CZ-CD2 4Å; V221-L245 HydrophobicContact CG1-CD1 3.72Å; M238-L245 HydrophobicContact CB-CD1 4.29Å; M238-L245 HydrophobicContact CG-CD1 4.19Å; N241-L245 HydrophobicContact CB-CD1 4.27Å; N241-L245 WeakPolarHBondContact O-CA 3.19Å; N241-L245 PolarHBondContact O-N 3.47Å; N241-L245 VanDerWaalsContact O-N 3.11Å; L245-I247 HydrophobicContact CD2-CB 4.43Å; L245-I247 HydrophobicContact CG-CB 4.48Å |
| 246 | I | 97.8 | Very high | 88.6 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 112.4 | 168.9 | -62 | 172.1 | 0 | 0 | 0 | 106.8 | I149 R160 V161 R162 V221 N222 | I149-I246 HydrophobicContact CD1-CD1 4.45Å; I149-I246 HydrophobicContact CD1-CG2 3.87Å; R160-I246 HydrophobicContact CG-CG2 3.71Å; V161-I246 CarbonylContact O-C 3.56Å; V161-I246 WeakPolarHBondContact O-CA 3.39Å; R162-I246 HydrophobicContact CB-CG1 4.28Å; R162-I246 HydrophobicContact CG-CG1 3.93Å; V221-I246 CarbonylContact C-O 3.53Å; V221-I246 WeakPolarHBondContact CA-O 3.44Å; N222-I246 PolarHBondContact N-O 2.71Å; N222-I246 PolarHBondContact OD1-N 2.94Å; N222-I246 PolarHBondContact OD1-O 3.33Å |
| 247 | I | 97.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126 | -177.8 | -170.6 | 177.1 | 0 | 0 | 0 | 109.6 | R160 V161 F174 L212 V218 E220 M238 L245 V249 | R160-I247 WeakPolarHBondContact CA-O 3.36Å; V161-I247 HydrophobicContact CB-CG2 4.03Å; V161-I247 PolarHBondContact N-O 2.76Å; V161-I247 PolarHBondContact O-N 2.77Å; F174-I247 HydrophobicContact CE2-CD1 4.42Å; F174-I247 HydrophobicContact CZ-CD1 4.31Å; L212-I247 HydrophobicContact CD1-CG2 4.38Å; L212-I247 HydrophobicContact CD2-CG2 4.17Å; V218-I247 HydrophobicContact CG1-CD1 3.92Å; V218-I247 HydrophobicContact CG1-CG1 3.95Å; V218-I247 HydrophobicContact CG2-CD1 3.97Å; E220-I247 WeakPolarHBondContact O-CA 3.43Å; M238-I247 HydrophobicContact CE-CD1 3.7Å; M238-I247 HydrophobicContact CE-CG1 4.49Å; L245-I247 HydrophobicContact CD2-CB 4.43Å; L245-I247 HydrophobicContact CG-CB 4.48Å; I247-V249 HydrophobicContact CD1-CG1 3.89Å; I247-V249 HydrophobicContact CG1-CG1 3.83Å |
| 248 | T | 97.7 | Very high | 84.6 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 121.2 | 170.6 | -51.4 | 0 | 0 | 0 | 0 | 108 | L154 H158 R160 L219 E220 | L154-T248 HydrophobicContact CD2-CG2 4.45Å; H158-T248 HydrophobicContact CB-CG2 4.48Å; R160-T248 HydrophobicContact CB-CG2 4.49Å; R160-T248 PolarHBondContact NE-OG1 3.24Å; L219-T248 PolarHBondContact N-O 2.93Å; E220-T248 PolarHBondContact N-O 2.81Å; E220-T248 PolarHBondContact O-N 2.79Å; E220-T248 WeakPolarHBondContact OE2-CB 3.35Å; E220-T248 PolarHBondContact OE2-OG1 2.87Å |
| 249 | V | 97.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 157.2 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | H158 R159 L212 D216 E217 V218 I247 | H158-V249 CarbonylContact C-O 3.59Å; H158-V249 WeakPolarHBondContact CA-O 3.26Å; R159-V249 HydrophobicContact CB-CG2 4.2Å; R159-V249 PolarHBondContact N-O 3.42Å; R159-V249 PolarHBondContact O-N 3.35Å; L212-V249 HydrophobicContact CD2-CG1 3.94Å; L212-V249 HydrophobicContact CD2-CG2 4.04Å; D216-V249 HydrophobicContact CB-CB 4.26Å; D216-V249 HydrophobicContact CB-CG2 4.47Å; E217-V249 CarbonylContact O-C 3.57Å; E217-V249 WeakPolarHBondContact O-CA 3.2Å; E217-V249 WeakPolarHBondContact O-CB 3.25Å; V218-V249 HydrophobicContact CG2-CG1 4.39Å; I247-V249 HydrophobicContact CD1-CG1 3.89Å; I247-V249 HydrophobicContact CG1-CG1 3.83Å |
| 250 | K | 95.4 | Very high | 80.3 | Confident | 77 Ų | 77 | 75.3 Ų | 75.3 | 34% | 0.335 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 107.3 | 163.3 | 177.2 | -176.7 | 176.8 | -173.9 | 0 | 107.9 | E217 L219 A252 | E217-K250 HydrophobicContact CB-CB 4.23Å; E217-K250 PolarHBondContact N-O 3.07Å; E217-K250 PolarHBondContact O-N 3.15Å; L219-K250 HydrophobicContact CD1-CB 4.2Å; K250-A252 PolarHBondContact O-N 3.32Å |
| 251 | P | 94.6 | Very high | 77.8 | Confident | 9 Ų | 9 | 75 Ų | 75 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | trans | -60.3 | 134.9 | -176.9 | -26.6 | 36.4 | 0 | 0 | 0 | 112.8 | T157 R159 D216 | T157-P251 VanDerWaalsContact O-CD 3.23Å; T157-P251 WeakPolarHBondContact O-CD 3.42Å; R159-P251 HydrophobicContact CB-CG 4.06Å; D216-P251 VanDerWaalsContact OD1-CA 3.26Å; D216-P251 WeakPolarHBondContact OD1-CA 3.32Å | ||
| 252 | A | 88.3 | Confident | 75.2 | Confident | 49 Ų | 49 | 75.9 Ų | 75.9 | 41% | 0.405 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -68.3 | -37.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N215 D216 K250 | N215-A252 HydrophobicContact CB-CB 3.82Å; D216-A252 PolarHBondContact OD1-N 3.36Å; K250-A252 PolarHBondContact O-N 3.32Å |
| 253 | N | 69.3 | Low | 73.1 | Confident | 106 Ų | 106 | 78.5 Ų | 78.5 | 57% | 0.567 | 44% | 0.44 | S | S | * | . | trans | -114.8 | 92.1 | -179.9 | -72.5 | -43.8 | 0 | 0 | 0 | 110 | R255 N256 | N253-R255 PolarHBondContact O-N 3.28Å; N253-N256 PolarHBondContact O-N 3.16Å | ||
| 254 | Q | 63.7 | Low | 70.9 | Confident | 112 Ų | 112 | 81.2 Ų | 81.2 | 52% | 0.523 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -62.2 | -10.6 | 176.8 | -66.1 | -175.2 | -6.7 | 0 | 0 | 113.7 | N256 N257 | Q254-N256 PolarHBondContact O-N 2.82Å; Q254-N257 PolarHBondContact O-N 3.14Å |
| 255 | R | 56.5 | Low | 68.3 | Low | 241 Ų | 241 | 82 Ų | 82 | 91% | 0.909 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -62.5 | -25.1 | 174.1 | -71.9 | -178.3 | 168 | 174.4 | -3.7 | 114 | N253 | N253-R255 PolarHBondContact O-N 3.28Š|
| 256 | N | 53.5 | Low | 65.7 | Low | 127 Ų | 127 | 86.2 Ų | 86.2 | 68% | 0.679 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -99.5 | 15.9 | 177.4 | -75 | 3.1 | 0 | 0 | 0 | 112.8 | R159 N253 Q254 V258 | R159-N256 PolarHBondContact NH2-O 2.89Å; N253-N256 PolarHBondContact O-N 3.16Å; Q254-N256 PolarHBondContact O-N 2.82Å; N256-V258 PolarHBondContact O-N 3.19Å |
| 257 | N | 54.7 | Low | 63 | Low | 45 Ų | 45 | 88 Ų | 88 | 24% | 0.241 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -67.6 | 127.4 | 165.4 | -123.1 | 9.7 | 0 | 0 | 0 | 107.7 | E156 R159 Q254 V259 | E156-N257 PolarHBondContact O-ND2 2.92Å; R159-N257 PolarHBondContact NE-OD1 3.27Å; R159-N257 PolarHBondContact NH2-OD1 2.95Å; Q254-N257 PolarHBondContact O-N 3.14Å; N257-V259 PolarHBondContact O-N 2.93Å |
| 258 | V | 54.1 | Low | 60.5 | Low | 99 Ų | 99 | 93 Ų | 93 | 60% | 0.6 | 60% | 0.599 | S | S | * | * | trans | -62.7 | 89.8 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 106.9 | N256 R260 | N256-V258 PolarHBondContact O-N 3.19Å; V258-R260 VanDerWaalsContact C-N 3.25Å; V258-R260 HydrophobicContact CG1-CG 4.24Å; V258-R260 PolarHBondContact O-N 3.03Å | ||
| 259 | V | 49.4 | Very low | 57.9 | Low | 130 Ų | 130 | 97.9 Ų | 97.9 | 79% | 0.788 | 64% | 0.639 | S | S | * | * | trans | -69.8 | 91.9 | 170.8 | -179 | 0 | 0 | 0 | 0 | 105.5 | N257 G261 | N257-V259 PolarHBondContact O-N 2.93Å; V259-G261 VanDerWaalsContact C-N 3.32Å; V259-G261 PolarHBondContact O-N 2.82Å | ||
| 260 | R | 51.9 | Low | 55.3 | Low | 229 Ų | 229 | 104 Ų | 104 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | trans | -67.5 | 101.7 | 159.8 | -75.4 | -173.8 | 171.6 | -177.7 | -1.9 | 105.6 | V258 G262 | V258-R260 VanDerWaalsContact C-N 3.25Å; V258-R260 HydrophobicContact CG1-CG 4.24Å; V258-R260 PolarHBondContact O-N 3.03Å; R260-G262 PolarHBondContact O-N 2.84Å | ||
| 261 | G | 41.1 | Very low | 52.4 | Low | 74 Ų | 74 | 103.8 Ų | 103.8 | 76% | 0.763 | 70% | 0.701 | S | S | * | * | trans | -54.7 | 101.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | V259 | V259-G261 VanDerWaalsContact C-N 3.32Å; V259-G261 PolarHBondContact O-N 2.82Å | ||
| 262 | G | 41 | Very low | 49.8 | Very low | 78 Ų | 78 | 108.8 Ų | 108.8 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -78.3 | 114.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | R260 | R260-G262 PolarHBondContact O-N 2.84Š| ||
| 263 | G | 48.3 | Very low | 47 | Very low | 68 Ų | 68 | 112 Ų | 112 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -66.4 | 158.7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 264 | V | 45.8 | Very low | 45.5 | Very low | 162 Ų | 162 | 112.1 Ų | 112.1 | 98% | 0.982 | 77% | 0.765 | S | S | * | * | -179.9 | 126.8 | 108.6 | 172.6 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 265 | G | 39.1 | Very low | 44 | Very low | 74 Ų | 74 | 114.6 Ų | 114.6 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | 134.2 | 112.6 | 168 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 266 | G | 42.4 | Very low | 43 | Very low | 87 Ų | 87 | 111.6 Ų | 111.6 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -74.5 | 170.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 267 | G | 40.6 | Very low | 41.9 | Very low | 77 Ų | 77 | 109.2 Ų | 109.2 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 130.7 | 96.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 268 | A | 45.8 | Very low | 40.9 | Very low | 106 Ų | 106 | 111.2 Ų | 111.2 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | 49.7 | 110.6 | 144.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 269 | A | 42.8 | Very low | 39.9 | Very low | 105 Ų | 105 | 111.3 Ų | 111.3 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | -166.9 | 94.9 | 127.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 270 | S | 42.6 | Very low | 39 | Very low | 129 Ų | 129 | 115.2 Ų | 115.2 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -73.5 | 127 | 159.5 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 271 | G | 35.9 | Very low | 38.2 | Very low | 72 Ų | 72 | 113 Ų | 113 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -158.2 | 73.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 272 | S | 38.2 | Very low | 37.7 | Very low | 114 Ų | 114 | 112.7 Ų | 112.7 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | 68.4 | 80.6 | 95.3 | 176.8 | 0 | 0 | 0 | 0 | 112.2 | S274 | S272-S274 PolarHBondContact O-N 2.92Š| |||
| 273 | S | 31.4 | Very low | 37.3 | Very low | 117 Ų | 117 | 119.7 Ų | 119.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -65.3 | 114.8 | 154.9 | 50.6 | 0 | 0 | 0 | 0 | 109.2 | D275 | S273-D275 PolarHBondContact O-N 2.86Š| ||
| 274 | S | 36 | Very low | 36.6 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | trans | -77.9 | 104.7 | 170 | 43.4 | 0 | 0 | 0 | 0 | 109.9 | S272 | S272-S274 PolarHBondContact O-N 2.92Š| ||
| 275 | D | 33.8 | Very low | 37 | Very low | 164 Ų | 164 | 120.9 Ų | 120.9 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -138.5 | 112.4 | 153 | -87.5 | -30 | 0 | 0 | 0 | 107.7 | S273 | S273-D275 PolarHBondContact O-N 2.86Š| ||
| 276 | N | 34.5 | Very low | 36.7 | Very low | 177 Ų | 177 | 126.6 Ų | 126.6 | 95% | 0.947 | 82% | 0.815 | S | S | * | * | trans | -122.9 | 118.6 | 177.1 | -138.9 | 54.5 | 0 | 0 | 0 | 108.3 | ||||
| 277 | G | 31.2 | Very low | 36.1 | Very low | 78 Ų | 78 | 125.5 Ų | 125.5 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -159.7 | 87.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 278 | A | 33.8 | Very low | 35.6 | Very low | 86 Ų | 86 | 127 Ų | 127 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -44.1 | 152.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 279 | S | 33.3 | Very low | 34.9 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | 175.4 | 138.4 | 68.2 | 31.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 280 | Y | 30.3 | Very low | 34.4 | Very low | 212 Ų | 212 | 126 Ų | 126 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | 83.5 | 136.1 | 134.8 | -88.5 | -97.9 | 0 | 0 | 0 | 124.1 | ||||
| 281 | H | 34.8 | Very low | 33.9 | Very low | 181 Ų | 181 | 127.7 Ų | 127.7 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | 81.4 | 122.4 | 172 | -75.8 | 53.9 | 0 | 0 | 0 | 116 | ||||
| 282 | G | 30.2 | Very low | 33.6 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | 142.4 | 114.7 | 14.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 283 | Y | 32 | Very low | 33.2 | Very low | 224 Ų | 224 | 126.7 Ų | 126.7 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -41.2 | 160 | 176.3 | -64.1 | -92.9 | 0 | 0 | 0 | 115.8 | ||||
| 284 | L | 34.7 | Very low | 33.6 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | cis | -167 | 178.9 | 31.8 | -112.3 | 127.5 | 0 | 0 | 0 | 110 | ||||
| 285 | P | 53.4 | Low | 33.5 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | trans | -116.1 | 169.9 | -158.2 | 43.2 | -33.6 | 0 | 0 | 0 | 116.2 | ||||
| 286 | H | 32.4 | Very low | 33.2 | Very low | 193 Ų | 193 | 127.5 Ų | 127.5 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | 175.2 | 143.6 | 150.2 | -105.8 | 62.4 | 0 | 0 | 0 | 107 | ||||
| 287 | G | 29.7 | Very low | 33 | Very low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | cis | 126.4 | 111.6 | 18.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 288 | A | 31 | Very low | 33 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | 68.3 | 148.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 289 | A | 30.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | cis | -155.8 | 168.4 | 19.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 290 | A | 33.3 | Very low | 32.5 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -64 | 162.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 291 | I | 31.3 | Very low | 32.3 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -176 | 103.3 | 141.1 | -86.1 | 144.6 | 0 | 0 | 0 | 105.2 | ||||
| 292 | A | 30.4 | Very low | 31.9 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | 65 | 126.7 | 98.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 293 | G | 30.3 | Very low | 31.9 | Very low | 73 Ų | 73 | 134.5 Ų | 134.5 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -67.8 | -169.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 294 | P | 39.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | -144.3 | 174.2 | 66.4 | 35.6 | -15.4 | 0 | 0 | 0 | 116.7 | |||||
| 295 | T | 34 | Very low | 31.7 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | trans | -69.1 | 177.3 | 168.3 | 42.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 296 | H | 27.6 | Very low | 30.8 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 105.3 | 135.8 | 170.8 | -58.5 | -58.5 | 0 | 0 | 0 | 113.4 | ||||
| 297 | I | 29.9 | Very low | 30.9 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | cis | -162.5 | 154.1 | 20.3 | -105.1 | 148.2 | 0 | 0 | 0 | 109 | ||||
| 298 | I | 30.9 | Very low | 30.9 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -67.5 | 132.4 | 170.3 | -66.9 | 163.4 | 0 | 0 | 0 | 110.7 | ||||
| 299 | Q | 28.4 | Very low | 31.2 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -134.4 | 126.4 | 159.2 | -100.3 | 179.6 | -11.1 | 0 | 0 | 111.7 | ||||
| 300 | N | 27.6 | Very low | 31.8 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | -86.6 | 128.9 | -176.3 | -164 | 67.6 | 0 | 0 | 0 | 109.1 | ||||
| 301 | F | 26.5 | Very low | 32.2 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -140.7 | 131.6 | 158.3 | -85.1 | -76.6 | 0 | 0 | 0 | 110.1 | ||||
| 302 | S | 27.8 | Very low | 32.7 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | -99.7 | 170 | 174.9 | -61.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 303 | V | 28.5 | Very low | 33.3 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | 102.1 | 121.8 | 159.2 | -169.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 304 | G | 27.1 | Very low | 33.6 | Very low | 71 Ų | 71 | 150.2 Ų | 150.2 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 160.6 | 67.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 305 | E | 35.3 | Very low | 33.9 | Very low | 186 Ų | 186 | 150.3 Ų | 150.3 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -57.2 | 131.4 | 162.3 | -72.9 | 176.1 | 146.9 | 0 | 0 | 109.5 | ||||
| 306 | L | 34.8 | Very low | 34.1 | Very low | 166 Ų | 166 | 150.5 Ų | 150.5 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -132.9 | 100.7 | 155.8 | -75.9 | 175.3 | 0 | 0 | 0 | 106.7 | ||||
| 307 | E | 34.2 | Very low | 34.8 | Very low | 188 Ų | 188 | 149.9 Ų | 149.9 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -59.4 | 133.1 | 152.4 | -69.1 | 177.5 | 149.2 | 0 | 0 | 108.5 | ||||
| 308 | S | 31.6 | Very low | 35.3 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -149.7 | 99.5 | 156.9 | 57.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 309 | D | 36.4 | Very low | 35.8 | Very low | 153 Ų | 153 | 153.5 Ų | 153.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -59.8 | 125.6 | 162.8 | -70.8 | -36.8 | 0 | 0 | 0 | 109.5 | ||||
| 310 | E | 42.3 | Very low | 36 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -136.8 | 101.4 | 155.5 | -70.6 | -170.3 | 160.1 | 0 | 0 | 107.6 | D312 | E310-D312 PolarHBondContact O-N 3.29Š| ||
| 311 | D | 42.1 | Very low | 36.1 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -64.2 | 114.4 | 164.4 | -68.1 | -60.5 | 0 | 0 | 0 | 109.1 | ||||
| 312 | D | 42.4 | Very low | 36.2 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | -117.5 | 111 | 168 | -85.4 | -37.7 | 0 | 0 | 0 | 109.8 | E310 D314 | E310-D312 PolarHBondContact O-N 3.29Å; D312-D314 PolarHBondContact O-N 2.84Å | ||
| 313 | E | 42.2 | Very low | 36.3 | Very low | 187 Ų | 187 | 146.9 Ų | 146.9 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -66.1 | 121.3 | -179.4 | -67.6 | -104.4 | 133.7 | 0 | 0 | 112.3 | V315 | E313-V315 PolarHBondContact O-N 2.84Š| ||
| 314 | D | 36.6 | Very low | 36.3 | Very low | 159 Ų | 159 | 148 Ų | 148 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | trans | -72.8 | 117.3 | 173 | -85.8 | -36.4 | 0 | 0 | 0 | 111.6 | D312 V316 | D312-D314 PolarHBondContact O-N 2.84Å; D314-V316 PolarHBondContact O-N 2.95Å | ||
| 315 | V | 46.2 | Very low | 36.4 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | -87.2 | 103 | 170.9 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | E313 I317 | E313-V315 PolarHBondContact O-N 2.84Å; V315-I317 HydrophobicContact CG1-CG1 4.31Å | ||
| 316 | V | 37.2 | Very low | 36 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | trans | -87.3 | 120.5 | 168.3 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | D314 E318 | D314-V316 PolarHBondContact O-N 2.95Å; V316-E318 HydrophobicContact CG1-CG 4.02Å | ||
| 317 | I | 43.7 | Very low | 35.6 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 80% | 0.795 | 82% | 0.822 | S | S | * | * | trans | -95.9 | 99.8 | 169.7 | -55.9 | 176.2 | 0 | 0 | 0 | 107.9 | V315 | V315-I317 HydrophobicContact CG1-CG1 4.31Š| ||
| 318 | E | 38.9 | Very low | 35.3 | Very low | 180 Ų | 180 | 153.9 Ų | 153.9 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | trans | -84.7 | 130.6 | 165.3 | -69.6 | -166.1 | 153.8 | 0 | 0 | 109.6 | V316 | V316-E318 HydrophobicContact CG1-CG 4.02Š| ||
| 319 | M | 41.6 | Very low | 35.1 | Very low | 199 Ų | 199 | 155.2 Ų | 155.2 | 98% | 0.98 | 83% | 0.828 | S | S | * | * | trans | -108.5 | 114.7 | 174.2 | -174.7 | 151 | -167.7 | 0 | 0 | 110 | ||||
| 320 | G | 32.5 | Very low | 35 | Very low | 80 Ų | 80 | 153.8 Ų | 153.8 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | 164.6 | 128.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 321 | G | 30.4 | Very low | 34.5 | Very low | 85 Ų | 85 | 151 Ų | 151 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | 132.7 | 129.2 | 158 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 322 | E | 29.6 | Very low | 34 | Very low | 193 Ų | 193 | 150.9 Ų | 150.9 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -93.7 | 160.8 | -162.4 | -61.7 | 166.2 | 130.5 | 0 | 0 | 116.5 | ||||
| 323 | A | 29.3 | Very low | 33.5 | Very low | 100 Ų | 100 | 155.1 Ų | 155.1 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | 55.7 | 144.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 324 | E | 27.2 | Very low | 33 | Very low | 177 Ų | 177 | 152.1 Ų | 152.1 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | cis | -167.8 | 158.8 | 23.7 | -136.2 | -159.3 | -165.5 | 0 | 0 | 111.2 | ||||
| 325 | T | 29.2 | Very low | 32.9 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 63% | 0.632 | 83% | 0.833 | S | S | * | * | trans | 36.9 | 129.9 | 150 | -3.6 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 326 | I | 27 | Very low | 32.5 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | -178.3 | 127.4 | 117.9 | -89.7 | 157.5 | 0 | 0 | 0 | 113.9 | |||||
| 327 | R | 26.8 | Very low | 32.4 | Very low | 238 Ų | 238 | 152.7 Ų | 152.7 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | trans | 60.4 | 127.9 | 147 | -69 | 177.6 | 179.8 | -169.9 | -0.6 | 124.5 | ||||
| 328 | R | 27.4 | Very low | 32 | Very low | 242 Ų | 242 | 153.3 Ų | 153.3 | 91% | 0.913 | 84% | 0.843 | S | S | * | * | trans | -75.8 | 147.5 | 169.1 | -63.1 | 177.6 | 170 | -147.6 | -2.9 | 113.2 | ||||
| 329 | T | 29 | Very low | 32 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 84% | 0.84 | 84% | 0.842 | S | S | * | * | trans | -145 | 154.3 | 135.3 | 46.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 330 | P | 32.7 | Very low | 31.5 | Very low | 124 Ų | 124 | 151.9 Ų | 151.9 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | trans | -96.3 | 143.4 | -156 | 35.8 | -30.3 | 0 | 0 | 0 | 113 | ||||
| 331 | S | 31.9 | Very low | 31.4 | Very low | 115 Ų | 115 | 158.4 Ų | 158.4 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | -129 | 108.1 | 161.9 | 58.1 | 0 | 0 | 0 | 0 | 109.2 | Y333 | S331-Y333 PolarHBondContact O-N 3.22Š| ||
| 332 | N | 32.1 | Very low | 31.7 | Very low | 151 Ų | 151 | 159.7 Ų | 159.7 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | trans | -58 | 114.9 | 165.1 | -78.2 | -22.1 | 0 | 0 | 0 | 109.1 | ||||
| 333 | Y | 32.8 | Very low | 31.9 | Very low | 237 Ų | 237 | 155.6 Ų | 155.6 | 93% | 0.929 | 81% | 0.81 | S | S | * | * | trans | -158 | 121.3 | 142 | -91.6 | -70.6 | 0 | 0 | 0 | 108.5 | S331 | S331-Y333 PolarHBondContact O-N 3.22Š| ||
| 334 | S | 30.6 | Very low | 32 | Very low | 124 Ų | 124 | 158.8 Ų | 158.8 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 127.1 | -174.1 | -157.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 335 | M | 35.3 | Very low | 32.4 | Very low | 175 Ų | 175 | 158.3 Ų | 158.3 | 86% | 0.862 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 134.7 | 171 | -81.2 | -71.8 | -131.3 | 0 | 0 | 109.7 | ||
| 336 | P | 36.9 | Very low | 32.5 | Very low | 124 Ų | 124 | 161.1 Ų | 161.1 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 130.6 | 172.1 | 0.9 | 15.4 | 0 | 0 | 0 | 110.7 | ||
| 337 | S | 36.3 | Very low | 32.6 | Very low | 118 Ų | 118 | 162.7 Ų | 162.7 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 133.9 | 177 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 338 | L | 34.8 | Very low | 32.7 | Very low | 167 Ų | 167 | 162 Ų | 162 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 142.6 | 172.1 | -73.7 | 163.9 | 0 | 0 | 0 | 111.9 | ||
| 339 | P | 38.2 | Very low | 32.8 | Very low | 124 Ų | 124 | 156.3 Ų | 156.3 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 139.3 | -176.6 | 29.4 | -31.5 | 0 | 0 | 0 | 113.1 | ||
| 340 | R | 30.9 | Very low | 32.8 | Very low | 225 Ų | 225 | 153.5 Ų | 153.5 | 85% | 0.849 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72 | 127.5 | 176.6 | -168 | 178.2 | -171.4 | 160.6 | 1.9 | 110.1 | ||
| 341 | Y | 31.6 | Very low | 32.7 | Very low | 217 Ų | 217 | 154.2 Ų | 154.2 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 120.5 | 173.9 | -170.7 | -97.9 | 0 | 0 | 0 | 109.7 | ||
| 342 | E | 36.5 | Very low | 32.6 | Very low | 112 Ų | 112 | 153.5 Ų | 153.5 | 52% | 0.523 | 81% | 0.814 | S | S | . | * | trans | -116.3 | 136.1 | 172.5 | -85.4 | -79.8 | 154.8 | 0 | 0 | 107.5 | H344 | E342-H344 PolarHBondContact O-CE1 2.87Å; E342-H344 PolarHBondContact O-N 3.26Å; E342-H344 PolarHBondContact O-ND1 2.91Å; E342-H344 PolarHBondContact O-NE2 3.19Å | ||
| 343 | P | 33.1 | Very low | 32.7 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -85.6 | 103.5 | 178.7 | 32.3 | -28.1 | 0 | 0 | 0 | 109.9 | ||||
| 344 | H | 31.6 | Very low | 32.6 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -97.7 | 105.8 | 172.2 | 3.3 | -84.3 | 0 | 0 | 0 | 110.3 | E342 | E342-H344 PolarHBondContact O-CE1 2.87Å; E342-H344 PolarHBondContact O-N 3.26Å; E342-H344 PolarHBondContact O-ND1 2.91Å; E342-H344 PolarHBondContact O-NE2 3.19Å | ||
| 345 | L | 36.6 | Very low | 32.7 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -97.1 | 103.4 | 164.4 | -159.5 | 80.5 | 0 | 0 | 0 | 107.8 | ||||
| 346 | N | 29.6 | Very low | 32.4 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -164.2 | 108.6 | 161.2 | -90.8 | -37.2 | 0 | 0 | 0 | 110.2 | ||||
| 347 | L | 30.1 | Very low | 32.1 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | trans | -124.7 | 94.3 | 161.7 | -146.6 | 77.1 | 0 | 0 | 0 | 108.5 | ||||
| 348 | R | 29.6 | Very low | 31.9 | Very low | 223 Ų | 223 | 138.4 Ų | 138.4 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | trans | -99 | 147.5 | 151.4 | -103 | -169.6 | 170.8 | -179.8 | -2.1 | 104.5 | ||||
| 349 | T | 28.5 | Very low | 31.7 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | cis | -177.5 | 152.5 | 9.3 | 5.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 350 | A | 28.8 | Very low | 31.3 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 65% | 0.653 | 77% | 0.774 | S | S | * | * | 171.8 | 103.4 | 124.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 351 | T | 30.4 | Very low | 31.3 | Very low | 139 Ų | 139 | 135 Ų | 135 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | 80.5 | 133.6 | 103.8 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 352 | A | 30.9 | Very low | 31.3 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | cis | -158.7 | 175.3 | 12.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 353 | A | 33.2 | Very low | 31 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | cis | -166.6 | 170.9 | 13.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 354 | N | 30.5 | Very low | 30.9 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | 80.1 | 126.5 | 154.1 | -84.9 | 12.1 | 0 | 0 | 0 | 118.1 | ||||
| 355 | S | 32.7 | Very low | 30.9 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -165.7 | 151.7 | 11 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 356 | G | 29.3 | Very low | 30.7 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 85.5 | 87.1 | 144.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 357 | S | 31.1 | Very low | 30.7 | Very low | 128 Ų | 128 | 129 Ų | 129 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | 85.6 | 122.2 | 70.4 | 73.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 358 | A | 32.8 | Very low | 30.7 | Very low | 75 Ų | 75 | 132 Ų | 132 | 62% | 0.62 | 79% | 0.786 | S | S | * | * | trans | -119.1 | -165 | -163.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 359 | F | 30.8 | Very low | 30.8 | Very low | 197 Ų | 197 | 125 Ų | 125 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | 88.9 | 146.9 | 156.4 | -52.5 | -72.4 | 0 | 0 | 0 | 115.9 | ||||
| 360 | S | 28.8 | Very low | 31 | Very low | 90 Ų | 90 | 125.6 Ų | 125.6 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | cis | 178.3 | 171.5 | -13.6 | -93 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 361 | I | 30.2 | Very low | 31.1 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | 177 | 126.5 | 131.9 | -86.6 | 151.6 | 0 | 0 | 0 | 111.7 | ||||
| 362 | N | 31.2 | Very low | 31.1 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 33.7 | 129 | 146.4 | -63.3 | -10.7 | 0 | 0 | 0 | 125.9 | ||||
| 363 | A | 31.1 | Very low | 31.4 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | 11.3 | 142.1 | 111.9 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 364 | N | 32 | Very low | 31.4 | Very low | 171 Ų | 171 | 125.6 Ų | 125.6 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | cis | -169.7 | 159.5 | 29.1 | -112.4 | -10.8 | 0 | 0 | 0 | 108.3 | ||||
| 365 | G | 30.4 | Very low | 31.3 | Very low | 76 Ų | 76 | 121.6 Ų | 121.6 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | 139.2 | 106.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 366 | N | 31.7 | Very low | 31.2 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -43.9 | 145.9 | 167.7 | -78.2 | -16.9 | 0 | 0 | 0 | 114.6 | ||||
| 367 | L | 30.4 | Very low | 31.4 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | 175.4 | 158.5 | 113.3 | -94.2 | 147.4 | 0 | 0 | 0 | 112.7 | |||||
| 368 | R | 30.9 | Very low | 31.5 | Very low | 244 Ų | 244 | 125.8 Ų | 125.8 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -93.3 | 150.4 | -168.9 | -173.3 | -177.3 | 179.9 | -131 | 3 | 109.4 | ||||
| 369 | G | 31.2 | Very low | 31.4 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 140.1 | 105 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 370 | S | 33.1 | Very low | 31.4 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | -23.6 | 147.7 | 155.3 | -168.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 371 | G | 29.6 | Very low | 31.6 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | 146.9 | 120.4 | 138 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 372 | G | 30.4 | Very low | 31.7 | Very low | 77 Ų | 77 | 126.6 Ų | 126.6 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | 78.3 | 111.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 373 | S | 37 | Very low | 31.7 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | 71.4 | 101.7 | 75.6 | 169.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 374 | S | 33.4 | Very low | 31.8 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | 177 | 142.6 | 137.7 | 49.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 375 | G | 29.6 | Very low | 31.8 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | cis | 129.8 | 111.6 | 20.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 376 | S | 31.2 | Very low | 32.1 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 100.6 | 136.6 | 141 | -133.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 377 | L | 31.7 | Very low | 32.6 | Very low | 151 Ų | 151 | 124.8 Ų | 124.8 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | 75.7 | 128.3 | 153.9 | -44.3 | 175.6 | 0 | 0 | 0 | 116.8 | ||||
| 378 | T | 34.1 | Very low | 32.6 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | cis | -163.7 | 129.9 | 44.7 | 38.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 379 | N | 30.6 | Very low | 33.4 | Very low | 152 Ų | 152 | 115.7 Ų | 115.7 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | 97.7 | 109.7 | 84.7 | -149.9 | 40.1 | 0 | 0 | 0 | 112.9 | |||||
| 380 | T | 30.7 | Very low | 33.4 | Very low | 127 Ų | 127 | 120 Ų | 120 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -80 | 142 | 173.5 | 45.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 381 | N | 32.7 | Very low | 33.5 | Very low | 169 Ų | 169 | 124.8 Ų | 124.8 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -126.9 | 135.4 | 155.9 | -117.7 | -2.6 | 0 | 0 | 0 | 109.7 | ||||
| 382 | A | 32.5 | Very low | 33.5 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -79.2 | 156.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 383 | S | 32.4 | Very low | 33.9 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | 161.9 | 127.7 | 110.1 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 384 | S | 32.2 | Very low | 33.6 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 41.4 | 128.1 | 143.5 | 58.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 385 | T | 31.8 | Very low | 33.8 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | 160.5 | 123 | 105.5 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 386 | T | 37.3 | Very low | 34.1 | Very low | 127 Ų | 127 | 148 Ų | 148 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -88.6 | 157.7 | 162.5 | 49.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 387 | P | 41.9 | Very low | 34.2 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | cis | -148.4 | -179.1 | 40.3 | 35.6 | -10.5 | 0 | 0 | 0 | 117.5 | ||||
| 388 | S | 31.3 | Very low | 34.7 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -55 | -173.9 | -179.5 | -35 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 389 | P | 47.6 | Very low | 35.1 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | cis | -135.3 | 161.9 | -6.4 | 38.6 | -21 | 0 | 0 | 0 | 114.9 | ||||
| 390 | D | 31.4 | Very low | 36.1 | Very low | 168 Ų | 168 | 153.9 Ų | 153.9 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -164.1 | 153.1 | 142 | -115.4 | -28.5 | 0 | 0 | 0 | 115.5 | ||||
| 391 | R | 34 | Very low | 36.7 | Very low | 237 Ų | 237 | 157.1 Ų | 157.1 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | trans | -92.1 | 124.8 | -158.5 | 167.2 | -172 | 174.2 | -176.2 | -0.8 | 113.3 | ||||
| 392 | A | 30.8 | Very low | 37.5 | Very low | 91 Ų | 91 | 150.8 Ų | 150.8 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -169.4 | 125 | 148 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 393 | K | 37 | Very low | 38.9 | Very low | 204 Ų | 204 | 150.3 Ų | 150.3 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | 34.4 | 117.1 | 141.8 | -66.1 | 173.8 | 176.8 | 174.3 | 0 | 119.5 | ||||
| 394 | E | 32 | Very low | 39.7 | Very low | 187 Ų | 187 | 148 Ų | 148 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -152.9 | 124.6 | 131.2 | -142.6 | 159.9 | -164 | 0 | 0 | 112.3 | R396 | E394-R396 PolarHBondContact O-N 3.4Š| ||
| 395 | R | 37.7 | Very low | 40.8 | Very low | 237 Ų | 237 | 143.6 Ų | 143.6 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | trans | -68.8 | 116.1 | 169.9 | -75.3 | 174.4 | 163.3 | -179.4 | -6.3 | 107.1 | N397 | R395-N397 PolarHBondContact O-N 3.27Š| ||
| 396 | R | 35.9 | Very low | 41.7 | Very low | 238 Ų | 238 | 141.4 Ų | 141.4 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | trans | -77.3 | 111.6 | 169.8 | -61.7 | -172.2 | -147.9 | 158.1 | 5.8 | 108.5 | E394 L398 | E394-R396 PolarHBondContact O-N 3.4Å; R396-L398 PolarHBondContact O-N 3.03Å | ||
| 397 | N | 31.8 | Very low | 41.5 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | trans | -64.4 | 122 | 161.6 | -77.6 | -31 | 0 | 0 | 0 | 108 | R395 E399 | R395-N397 PolarHBondContact O-N 3.27Å; N397-E399 PolarHBondContact O-N 3.39Å | ||
| 398 | L | 42.4 | Very low | 41.5 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | -88.9 | 89.2 | 164.3 | -78.7 | 158.5 | 0 | 0 | 0 | 106.6 | R396 E400 | R396-L398 PolarHBondContact O-N 3.03Å; L398-E400 PolarHBondContact O-N 3.46Å | ||
| 399 | E | 43.1 | Very low | 42 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | trans | -83.4 | 94.3 | 161 | -72.2 | 176.7 | 173 | 0 | 0 | 106.4 | N397 | N397-E399 PolarHBondContact O-N 3.39Š| ||
| 400 | E | 52 | Low | 41.7 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | -105.8 | 115.2 | 171 | -159.7 | 171.6 | -163 | 0 | 0 | 107.3 | L398 G402 | L398-E400 PolarHBondContact O-N 3.46Å; E400-G402 PolarHBondContact O-N 3.31Å | ||
| 401 | E | 43.5 | Very low | 42.3 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 91% | 0.911 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 118 | -173.7 | -64.1 | -159.7 | 154.5 | 0 | 0 | 111.3 | ||
| 402 | G | 48.1 | Very low | 42.9 | Very low | 36 Ų | 36 | 141.8 Ų | 141.8 | 37% | 0.371 | 70% | 0.703 | S | S | . | * | P | Polyproline II helix | trans | -92.9 | 123.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E400 V404 | E400-G402 PolarHBondContact O-N 3.31Å; G402-V404 PolarHBondContact O-N 3.47Å |
| 403 | T | 62.1 | Low | 43.7 | Very low | 78 Ų | 78 | 145.2 Ų | 145.2 | 48% | 0.479 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 125.8 | 178.6 | -51.5 | 0 | 0 | 0 | 0 | 111.6 | Y175 | Y175-T403 WeakPolarHBondContact CD1-O 3.08Š|
| 404 | V | 50.5 | Low | 44.1 | Very low | 58 Ų | 58 | 141 Ų | 141 | 35% | 0.352 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -80.1 | 128.2 | 179.2 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | Y175 G402 T406 | Y175-V404 HydrophobicContact CD1-CB 4.43Å; Y175-V404 HydrophobicContact CD1-CG2 4.42Å; Y175-V404 VanDerWaalsContact CE1-CA 3.4Å; Y175-V404 HydrophobicContact CE1-CB 3.65Å; Y175-V404 HydrophobicContact CE1-CG1 3.58Å; Y175-V404 HydrophobicContact CE1-CG2 3.56Å; G402-V404 PolarHBondContact O-N 3.47Å; V404-T406 HydrophobicContact CB-CG2 4.48Å; V404-T406 HydrophobicContact CG1-CG2 3.35Å; V404-T406 WeakPolarHBondContact CG1-OG1 3.25Å; V404-T406 PolarHBondContact O-N 3.4Å |
| 405 | I | 55 | Low | 45.1 | Very low | 13 Ų | 13 | 137.5 Ų | 137.5 | 7% | 0.067 | 67% | 0.672 | C | S | . | * | trans | -76.2 | 78.1 | 164.7 | -48.5 | -170.4 | 0 | 0 | 0 | 107.9 | T235 M238 I239 | T235-I405 HydrophobicContact CG2-CG1 4.12Å; M238-I405 HydrophobicContact SD-CD1 4.05Å; I239-I405 HydrophobicContact CD1-CG2 4.03Å; I239-I405 HydrophobicContact CG1-CG2 3.44Å; I239-I405 VanDerWaalsContact CG1-CG2 3.44Å | ||
| 406 | T | 49.7 | Very low | 45.7 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 52% | 0.515 | 65% | 0.654 | S | S | . | * | trans | -115.8 | 158.4 | 169.8 | 35.2 | 0 | 0 | 0 | 0 | 109.2 | V404 | V404-T406 HydrophobicContact CB-CG2 4.48Å; V404-T406 HydrophobicContact CG1-CG2 3.35Å; V404-T406 WeakPolarHBondContact CG1-OG1 3.25Å; V404-T406 PolarHBondContact O-N 3.4Å | ||
| 407 | L | 34.1 | Very low | 46.6 | Very low | 184 Ų | 184 | 119.3 Ų | 119.3 | 96% | 0.963 | 63% | 0.632 | S | S | * | * | trans | -64 | 0 | 173.7 | -70.9 | 167.2 | 0 | 0 | 0 | 111.8 |
Retrieved 407 of 407 residues in 581.9 ms
(Link to these results)