| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.8 | Low | 52.9 | Low | 221 Ų | 221 | 118.6 Ų | 118.6 | 100% | 1.089 | 66% | 0.658 | S | S | * | * | 0 | -6.7 | 0 | -60.6 | -152.2 | 84.1 | 0 | 0 | 114.6 | |||||
| 2 | L | 48.4 | Very low | 53.1 | Low | 149 Ų | 149 | 117.5 Ų | 117.5 | 78% | 0.78 | 65% | 0.649 | S | S | * | * | trans | -79.8 | -21.4 | 177.3 | -138.3 | 76.5 | 0 | 0 | 0 | 114.2 | ||||
| 3 | S | 54 | Low | 53.4 | Low | 105 Ų | 105 | 117.5 Ų | 117.5 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80.7 | -26.1 | -174.3 | -154.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 4 | L | 48.9 | Very low | 53.5 | Low | 150 Ų | 150 | 116.9 Ų | 116.9 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.9 | -24.4 | 177.9 | -112.9 | 86.4 | 0 | 0 | 0 | 113 | ||
| 5 | M | 51 | Low | 53.5 | Low | 127 Ų | 127 | 116.5 Ų | 116.5 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.6 | -37.8 | -179.2 | -69.5 | -67.7 | 156.4 | 0 | 0 | 111.4 | A7 S8 F9 | M5-A7 VanDerWaalsContact C-N 3.34Å; M5-A7 PolarHBondContact O-N 3.38Å; M5-S8 PolarHBondContact O-N 2.78Å; M5-S8 PolarHBondContact O-OG 3.44Å; M5-F9 WeakPolarHBondContact O-CD2 3.45Å; M5-F9 WeakPolarHBondContact O-CE2 3.36Å |
| 6 | L | 50.5 | Low | 53.3 | Low | 117 Ų | 117 | 114.8 Ų | 114.8 | 61% | 0.613 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.3 | -31.6 | 178.8 | -93.2 | 115.3 | 0 | 0 | 0 | 113.7 | S8 F9 | L6-S8 VanDerWaalsContact C-N 3.26Å; L6-S8 PolarHBondContact O-N 3.35Å; L6-F9 PolarHBondContact O-N 2.86Å |
| 7 | A | 54.2 | Low | 52.9 | Low | 71 Ų | 71 | 119.8 Ų | 119.8 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.8 | -22.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M5 P11 | M5-A7 VanDerWaalsContact C-N 3.34Å; M5-A7 PolarHBondContact O-N 3.38Å; A7-P11 VanDerWaalsContact O-CD 3.29Å; A7-P11 WeakPolarHBondContact O-CD 3.34Å |
| 8 | S | 55.5 | Low | 52.8 | Low | 69 Ų | 69 | 120.6 Ų | 120.6 | 48% | 0.483 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -85.3 | -18.9 | 178.9 | 83.3 | 0 | 0 | 0 | 0 | 114 | M5 L6 P11 | M5-S8 PolarHBondContact O-N 2.78Å; M5-S8 PolarHBondContact O-OG 3.44Å; L6-S8 VanDerWaalsContact C-N 3.26Å; L6-S8 PolarHBondContact O-N 3.35Å; S8-P11 WeakPolarHBondContact O-CD 3.44Å; S8-P11 WeakPolarHBondContact O-CG 3.21Å |
| 9 | F | 54.3 | Low | 52.5 | Low | 115 Ų | 115 | 118.9 Ų | 118.9 | 50% | 0.504 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -84.1 | -24.1 | -180 | -71.9 | -72.3 | 0 | 0 | 0 | 113.4 | M5 L6 L12 L13 | M5-F9 WeakPolarHBondContact O-CD2 3.45Å; M5-F9 WeakPolarHBondContact O-CE2 3.36Å; L6-F9 PolarHBondContact O-N 2.86Å; F9-L12 PolarHBondContact O-N 3.4Å; F9-L13 WeakPolarHBondContact O-CB 3.41Å; F9-L13 PolarHBondContact O-N 3.37Å |
| 10 | L | 56.2 | Low | 52.1 | Low | 112 Ų | 112 | 119.6 Ų | 119.6 | 59% | 0.586 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62 | -49.7 | 175.7 | -105.6 | 92.7 | 0 | 0 | 0 | 113.9 | L12 L13 L14 | L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 2.85Å; L10-L13 PolarHBondContact O-N 3.32Å; L10-L14 WeakPolarHBondContact O-CD1 3.33Å; L10-L14 PolarHBondContact O-N 2.94Å |
| 11 | P | 57.7 | Low | 51.5 | Low | 69 Ų | 69 | 119.2 Ų | 119.2 | 45% | 0.448 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -66.7 | -30.8 | 178.5 | 23.9 | -31 | 0 | 0 | 0 | 111.7 | A7 S8 L14 L15 | A7-P11 VanDerWaalsContact O-CD 3.29Å; A7-P11 WeakPolarHBondContact O-CD 3.34Å; S8-P11 WeakPolarHBondContact O-CD 3.44Å; S8-P11 WeakPolarHBondContact O-CG 3.21Å; P11-L14 PolarHBondContact O-N 3.23Å; P11-L15 WeakPolarHBondContact O-CB 3.47Å; P11-L15 WeakPolarHBondContact O-CD1 3.45Å; P11-L15 WeakPolarHBondContact O-CG 3.43Å; P11-L15 PolarHBondContact O-N 3.34Å |
| 12 | L | 55.8 | Low | 50.8 | Low | 105 Ų | 105 | 117.5 Ų | 117.5 | 55% | 0.55 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.8 | -39.2 | 176.2 | -155.9 | 78.3 | 0 | 0 | 0 | 112.2 | F9 L10 L15 C16 | F9-L12 PolarHBondContact O-N 3.4Å; L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 2.85Å; L12-L15 PolarHBondContact O-N 3.32Å; L12-C16 WeakPolarHBondContact O-CB 3.33Å; L12-C16 PolarHBondContact O-N 3.4Å |
| 13 | L | 57.5 | Low | 50.4 | Low | 117 Ų | 117 | 119.3 Ų | 119.3 | 61% | 0.613 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.2 | -35 | 173.3 | -87.9 | 155.3 | 0 | 0 | 0 | 112.5 | F9 L10 R17 | F9-L13 WeakPolarHBondContact O-CB 3.41Å; F9-L13 PolarHBondContact O-N 3.37Å; L10-L13 PolarHBondContact O-N 3.32Å; L13-R17 WeakPolarHBondContact O-CG 3.34Å; L13-R17 PolarHBondContact O-N 3Å; L13-R17 VanDerWaalsContact O-N 3.14Å |
| 14 | L | 55 | Low | 49.6 | Very low | 110 Ų | 110 | 118.6 Ų | 118.6 | 58% | 0.576 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.4 | -38.5 | 173.1 | -93.8 | 116.7 | 0 | 0 | 0 | 112.4 | L10 P11 R17 I18 | L10-L14 WeakPolarHBondContact O-CD1 3.33Å; L10-L14 PolarHBondContact O-N 2.94Å; P11-L14 PolarHBondContact O-N 3.23Å; L14-R17 PolarHBondContact O-N 3.06Å; L14-I18 WeakPolarHBondContact O-CD1 3.33Å; L14-I18 WeakPolarHBondContact O-CG1 3.07Å; L14-I18 PolarHBondContact O-N 3.3Å |
| 15 | L | 53.1 | Low | 49.4 | Very low | 111 Ų | 111 | 113.5 Ų | 113.5 | 58% | 0.581 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.7 | -36.4 | 173.9 | -80.4 | 154.1 | 0 | 0 | 0 | 112.4 | P11 L12 R17 I18 S19 | P11-L15 WeakPolarHBondContact O-CB 3.47Å; P11-L15 WeakPolarHBondContact O-CD1 3.45Å; P11-L15 WeakPolarHBondContact O-CG 3.43Å; P11-L15 PolarHBondContact O-N 3.34Å; L12-L15 PolarHBondContact O-N 3.32Å; L15-R17 VanDerWaalsContact C-N 3.34Å; L15-I18 PolarHBondContact O-N 3.44Å; L15-S19 PolarHBondContact O-N 2.95Å; L15-S19 PolarHBondContact O-OG 3.33Å |
| 16 | C | 50.6 | Low | 49.5 | Very low | 88 Ų | 88 | 113.9 Ų | 113.9 | 60% | 0.595 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68 | -30.5 | 173 | -88.6 | 0 | 0 | 0 | 0 | 113.1 | L12 I18 S19 | L12-C16 WeakPolarHBondContact O-CB 3.33Å; L12-C16 PolarHBondContact O-N 3.4Å; C16-I18 VanDerWaalsContact C-N 3.34Å; C16-S19 PolarHBondContact O-N 2.86Å |
| 17 | R | 46.2 | Very low | 50.5 | Low | 201 Ų | 201 | 111.8 Ų | 111.8 | 76% | 0.758 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.9 | -27.1 | 175.4 | -78 | -86.7 | -175.7 | 164.6 | -0.5 | 113.1 | L13 L14 L15 S19 | L13-R17 WeakPolarHBondContact O-CG 3.34Å; L13-R17 PolarHBondContact O-N 3Å; L13-R17 VanDerWaalsContact O-N 3.14Å; L14-R17 PolarHBondContact O-N 3.06Å; L15-R17 VanDerWaalsContact C-N 3.34Å; R17-S19 VanDerWaalsContact C-N 3.32Å |
| 18 | I | 50.6 | Low | 52.1 | Low | 134 Ų | 134 | 110.5 Ų | 110.5 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -83 | -14.9 | 176.6 | -56.2 | 161 | 0 | 0 | 0 | 111.2 | L14 L15 C16 | L14-I18 WeakPolarHBondContact O-CD1 3.33Å; L14-I18 WeakPolarHBondContact O-CG1 3.07Å; L14-I18 PolarHBondContact O-N 3.3Å; L15-I18 PolarHBondContact O-N 3.44Å; C16-I18 VanDerWaalsContact C-N 3.34Å |
| 19 | S | 47 | Very low | 53.9 | Low | 88 Ų | 88 | 110 Ų | 110 | 62% | 0.615 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 13.2 | -179.4 | -53.3 | 0 | 0 | 0 | 0 | 113.9 | L15 C16 R17 C21 | L15-S19 PolarHBondContact O-N 2.95Å; L15-S19 PolarHBondContact O-OG 3.33Å; C16-S19 PolarHBondContact O-N 2.86Å; R17-S19 VanDerWaalsContact C-N 3.32Å; S19-C21 PolarHBondContact O-N 3.11Å |
| 20 | L | 43.8 | Very low | 55.8 | Low | 132 Ų | 132 | 106.4 Ų | 106.4 | 69% | 0.691 | 57% | 0.567 | S | S | * | * | trans | -72.3 | 64.7 | 157.3 | -74.7 | 158.7 | 0 | 0 | 0 | 108.3 | Q22 | L20-Q22 PolarHBondContact O-N 2.79Š| ||
| 21 | C | 40.5 | Very low | 57.6 | Low | 112 Ų | 112 | 107.3 Ų | 107.3 | 76% | 0.757 | 57% | 0.566 | S | S | * | * | trans | -56.8 | 98.5 | 149.7 | -82.5 | 0 | 0 | 0 | 0 | 105 | S19 Y23 | S19-C21 PolarHBondContact O-N 3.11Å; C21-Y23 PolarHBondContact O-N 3.02Å | ||
| 22 | Q | 36.5 | Very low | 59.2 | Low | 186 Ų | 186 | 104.9 Ų | 104.9 | 87% | 0.869 | 55% | 0.553 | S | S | * | * | trans | -62.9 | 77.1 | 159 | -69 | -177 | -34.5 | 0 | 0 | 106.4 | L20 S24 | L20-Q22 PolarHBondContact O-N 2.79Å; Q22-S24 PolarHBondContact O-N 2.84Å | ||
| 23 | Y | 39.9 | Very low | 60.8 | Low | 186 Ų | 186 | 101.1 Ų | 101.1 | 73% | 0.729 | 54% | 0.536 | S | S | * | . | trans | -75.2 | 58.4 | 162.9 | -156 | -88.9 | 0 | 0 | 0 | 107.4 | C21 S25 | C21-Y23 PolarHBondContact O-N 3.02Å; Y23-S25 VanDerWaalsContact CE1-CB 3.48Å; Y23-S25 PolarHBondContact O-N 3.37Å | ||
| 24 | S | 37.2 | Very low | 62.2 | Low | 90 Ų | 90 | 95.7 Ų | 95.7 | 63% | 0.629 | 51% | 0.509 | S | S | * | . | trans | -88.5 | 72 | 159.8 | -158.6 | 0 | 0 | 0 | 0 | 105.5 | Q22 D26 | Q22-S24 PolarHBondContact O-N 2.84Å; S24-D26 PolarHBondContact O-N 3.02Å | ||
| 25 | S | 44.3 | Very low | 63.5 | Low | 44 Ų | 44 | 95.9 Ų | 95.9 | 31% | 0.308 | 51% | 0.51 | S | S | . | . | trans | -70.2 | 70.7 | 171.1 | 158.4 | 0 | 0 | 0 | 0 | 108.2 | Y23 Q27 | Y23-S25 VanDerWaalsContact CE1-CB 3.48Å; Y23-S25 PolarHBondContact O-N 3.37Å; S25-Q27 PolarHBondContact O-N 3.32Å; S25-Q27 WeakPolarHBondContact OG-CG 3.35Å; S25-Q27 PolarHBondContact OG-NE2 3.16Å; S25-Q27 PolarHBondContact OG-OE1 3.47Å | ||
| 26 | D | 53.5 | Low | 64.4 | Low | 134 Ų | 134 | 96 Ų | 96 | 72% | 0.717 | 52% | 0.515 | S | S | * | . | trans | -77.3 | 57.7 | 160.1 | -69.3 | -29.4 | 0 | 0 | 0 | 108.2 | S24 C28 | S24-D26 PolarHBondContact O-N 3.02Å; D26-C28 PolarHBondContact O-N 3.1Å | ||
| 27 | Q | 71 | Confident | 65 | Low | 73 Ų | 73 | 95.6 Ų | 95.6 | 34% | 0.341 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 29.8 | -177.9 | -76 | 175.1 | 5.5 | 0 | 0 | 112.2 | S25 L49 | S25-Q27 PolarHBondContact O-N 3.32Å; S25-Q27 WeakPolarHBondContact OG-CG 3.35Å; S25-Q27 PolarHBondContact OG-NE2 3.16Å; S25-Q27 PolarHBondContact OG-OE1 3.47Å; Q27-L49 WeakPolarHBondContact O-CA 3.33Å; Q27-L49 WeakPolarHBondContact O-CD2 3.45Å |
| 28 | C | 88.3 | Confident | 65.6 | Low | 44 Ų | 44 | 93.3 Ų | 93.3 | 30% | 0.297 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -32.3 | 173.4 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | D26 C51 G54 Y147 | D26-C28 PolarHBondContact O-N 3.1Å; C28-C51 WeakPolarHBondContact CA-SG 3.16Å; C28-C51 HydrophobicContact CB-CB 3.53Å; C28-C51 WeakPolarHBondContact CB-SG 3.19Å; C28-C51 WeakPolarHBondContact SG-CB 3.31Å; C28-C51 CovalentContact SG-SG 2.03Å; C28-C51 PolarHBondContact SG-SG 3.14Å; C28-G54 WeakPolarHBondContact O-CA 3.43Å; C28-Y147 WeakPolarHBondContact O-CE1 3.47Å; C28-Y147 VanDerWaalsContact O-CZ 3.29Å; C28-Y147 PolarHBondContact O-OH 3.45Å |
| 29 | S | 93 | Very high | 65.6 | Low | 59 Ų | 59 | 90.6 Ų | 90.6 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -121.7 | 146 | 178.1 | -65.8 | 0 | 0 | 0 | 0 | 111.3 | S55 | S29-S55 CarbonylContact C-O 3.6Å; S29-S55 WeakPolarHBondContact CA-O 3.4Å; S29-S55 WeakPolarHBondContact CB-O 3.29Å; S29-S55 WeakPolarHBondContact CB-OG 3.36Å; S29-S55 PolarHBondContact OG-N 3.21Å; S29-S55 PolarHBondContact OG-OG 2.94Å |
| 30 | W | 94 | Very high | 65.9 | Low | 40 Ų | 40 | 95.2 Ų | 95.2 | 15% | 0.152 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.7 | 174.3 | 177.5 | 95.7 | 0 | 0 | 0 | 110.6 | E45 V47 L49 S55 L56 E57 W58 I65 | W30-E45 WeakPolarHBondContact CZ2-OE1 3.03Å; W30-V47 HydrophobicContact CB-CG1 3.74Å; W30-V47 HydrophobicContact CD2-CG1 4.13Å; W30-V47 HydrophobicContact CD2-CG2 3.98Å; W30-V47 HydrophobicContact CG-CG1 3.57Å; W30-V47 HydrophobicContact CG-CG2 4.2Å; W30-V47 HydrophobicContact CZ2-CG2 3.92Å; W30-L49 HydrophobicContact CB-CD2 4.01Å; W30-S55 PolarHBondContact N-O 2.94Å; W30-L56 HydrophobicContact CE3-CD1 4.19Å; W30-L56 HydrophobicContact CE3-CD2 4.37Å; W30-L56 HydrophobicContact CE3-CG 3.85Å; W30-L56 HydrophobicContact CZ3-CD2 4.33Å; W30-L56 HydrophobicContact CZ3-CG 4.28Å; W30-L56 CarbonylContact O-C 3.6Å; W30-L56 WeakPolarHBondContact O-CA 3.31Å; W30-E57 PolarHBondContact O-N 3.3Å; W30-W58 HydrophobicContact CH2-CB 4.32Å; W30-W58 AromaticContact CH2-CD1 3.6Å; W30-W58 AromaticContact CH2-CG 3.93Å; W30-W58 HydrophobicContact CH2-CG 3.93Å; W30-W58 HydrophobicContact CZ3-CB 3.79Å; W30-W58 AromaticContact CZ3-CD1 3.94Å; W30-W58 AromaticContact CZ3-CG 3.91Å; W30-W58 HydrophobicContact CZ3-CG 3.91Å; W30-I65 HydrophobicContact CH2-CD1 3.9Å; W30-I65 HydrophobicContact CZ3-CD1 3.91Å |
| 31 | K | 93.8 | Very high | 66.6 | Low | 131 Ų | 131 | 92.2 Ų | 92.2 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124 | 172.7 | -177 | 169 | -174.5 | 141.7 | 0 | 108.7 | E57 | K31-E57 VanDerWaalsContact CA-O 3.26Å; K31-E57 WeakPolarHBondContact CA-O 3.35Å; K31-E57 WeakPolarHBondContact CE-OE1 3.28Å; K31-E57 HydrophobicContact CG-CB 4.29Å; K31-E57 IonicContact NZ-OE1 3.74Å; K31-E57 PolarHBondContact NZ-OE1 2.99Å; K31-E57 IonicContact NZ-OE2 3.19Å; K31-E57 PolarHBondContact NZ-OE2 3.22Å |
| 32 | G | 90.9 | Very high | 67.7 | Low | 17 Ų | 17 | 98.7 Ų | 98.7 | 18% | 0.175 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 173.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E57 L59 | G32-E57 PolarHBondContact N-O 2.92Å; G32-L59 PolarHBondContact O-N 3.43Å |
| 33 | S | 90.3 | Very high | 69.4 | Low | 26 Ų | 26 | 95 Ų | 95 | 18% | 0.182 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.6 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | L35 T36 L59 | S33-L35 PolarHBondContact O-N 2.8Å; S33-L35 PolarHBondContact OG-N 3.16Å; S33-T36 PolarHBondContact O-OG1 3.02Å; S33-L59 CarbonylContact C-O 3.52Å; S33-L59 VanDerWaalsContact CA-O 3.24Å; S33-L59 WeakPolarHBondContact CA-O 3.45Å |
| 34 | G | 86.6 | Confident | 71.5 | Confident | 4 Ų | 4 | 88.9 Ų | 88.9 | 4% | 0.041 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L59 Y60 T62 | G34-L59 PolarHBondContact N-O 2.94Å; G34-Y60 WeakPolarHBondContact CA-O 3.34Å; G34-Y60 PolarHBondContact N-O 3.13Å; G34-T62 WeakPolarHBondContact O-CB 3.06Å; G34-T62 PolarHBondContact O-OG1 2.87Å |
| 35 | L | 82.6 | Confident | 74 | Confident | 114 Ų | 114 | 87.2 Ų | 87.2 | 60% | 0.597 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -12.7 | 177.4 | -59.8 | 179.2 | 0 | 0 | 0 | 113.8 | S33 H37 Y60 | S33-L35 PolarHBondContact O-N 2.8Å; S33-L35 PolarHBondContact OG-N 3.16Å; L35-H37 VanDerWaalsContact C-N 3.34Å; L35-Y60 HydrophobicContact CD1-CD1 4.21Å; L35-Y60 HydrophobicContact CD1-CD2 3.72Å; L35-Y60 HydrophobicContact CD1-CE2 4.29Å; L35-Y60 HydrophobicContact CD1-CG 3.69Å; L35-Y60 HydrophobicContact CG-CD2 4.27Å; L35-Y60 HydrophobicContact CG-CG 4Å |
| 36 | T | 72.8 | Confident | 76.2 | Confident | 113 Ų | 113 | 89.1 Ų | 89.1 | 69% | 0.693 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -87.4 | -5.7 | -177.7 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | S33 | S33-T36 PolarHBondContact O-OG1 3.02Š|
| 37 | H | 61.5 | Low | 78 | Confident | 80 Ų | 80 | 83 Ų | 83 | 37% | 0.37 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -84.8 | 131.7 | 176.7 | -82.9 | -91.3 | 0 | 0 | 0 | 110.9 | L35 G39 E45 | L35-H37 VanDerWaalsContact C-N 3.34Å; H37-G39 PolarHBondContact O-N 2.74Å; H37-G39 VanDerWaalsContact O-N 3.13Å; H37-E45 IonicContact CD2-OE2 2.78Å; H37-E45 IonicContact CE1-OE2 2.84Å; H37-E45 IonicContact NE2-OE2 3.83Å; H37-E45 PolarHBondContact NE2-OE2 3.32Å |
| 38 | E | 58.5 | Low | 79 | Confident | 153 Ų | 153 | 85 Ų | 85 | 72% | 0.715 | 44% | 0.441 | S | S | * | . | trans | -65.5 | 111.4 | 170.9 | -69 | -178.3 | 171.6 | 0 | 0 | 108.3 | H40 T41 | E38-H40 PolarHBondContact O-N 3.31Å; E38-T41 PolarHBondContact O-N 3.14Å | ||
| 39 | G | 52.4 | Low | 79.2 | Confident | 77 Ų | 77 | 83 Ų | 83 | 79% | 0.794 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | H37 | H37-G39 PolarHBondContact O-N 2.74Å; H37-G39 VanDerWaalsContact O-N 3.13Å |
| 40 | H | 52.8 | Low | 79.1 | Confident | 185 Ų | 185 | 86.8 Ų | 86.8 | 86% | 0.856 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -15.2 | 178.5 | -60 | -46 | 0 | 0 | 0 | 113.7 | E38 | E38-H40 PolarHBondContact O-N 3.31Š|
| 41 | T | 57.3 | Low | 78.9 | Confident | 69 Ų | 69 | 86.2 Ų | 86.2 | 42% | 0.423 | 44% | 0.435 | S | S | . | . | trans | -102.2 | 122.3 | 172.1 | 65.5 | 0 | 0 | 0 | 0 | 108.6 | E38 D43 | E38-T41 PolarHBondContact O-N 3.14Å; T41-D43 VanDerWaalsContact CB-OD2 3.32Å; T41-D43 WeakPolarHBondContact CB-OD2 3.35Å; T41-D43 PolarHBondContact O-N 2.02Å; T41-D43 PolarHBondContact OG1-OD2 3.42Å | ||
| 42 | R | 64 | Low | 78.6 | Confident | 248 Ų | 248 | 83.5 Ų | 83.5 | 94% | 0.936 | 43% | 0.433 | S | S | * | . | trans | -75.1 | 41.3 | 170.9 | -67.2 | 180 | 176.5 | 173.7 | -1.7 | 110.1 | ||||
| 43 | D | 71.9 | Confident | 78.7 | Confident | 109 Ų | 109 | 86.2 Ų | 86.2 | 58% | 0.583 | 44% | 0.44 | S | S | * | . | trans | -82.6 | 133.5 | -172.9 | -72.1 | -10.9 | 0 | 0 | 0 | 109.4 | T41 | T41-D43 VanDerWaalsContact CB-OD2 3.32Å; T41-D43 WeakPolarHBondContact CB-OD2 3.35Å; T41-D43 PolarHBondContact O-N 2.02Å; T41-D43 PolarHBondContact OG1-OD2 3.42Å | ||
| 44 | V | 85.2 | Confident | 78.8 | Confident | 56 Ų | 56 | 85.7 Ų | 85.7 | 34% | 0.339 | 44% | 0.44 | S | S | . | . | trans | -96.3 | 113.8 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | Q46 A64 I66 F129 | V44-Q46 PolarHBondContact O-N 3.27Å; V44-A64 HydrophobicContact CG1-CB 4.3Å; V44-A64 WeakPolarHBondContact CG1-O 2.99Å; V44-A64 HydrophobicContact CG2-CB 4.43Å; V44-I66 HydrophobicContact CG1-CB 4.41Å; V44-I66 HydrophobicContact CG1-CD1 3.75Å; V44-I66 HydrophobicContact CG1-CG1 3.7Å; V44-F129 HydrophobicContact CG1-CE2 4.14Å | ||
| 45 | E | 88.6 | Confident | 79.2 | Confident | 55 Ų | 55 | 87.8 Ų | 87.8 | 26% | 0.257 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 133.6 | -178.2 | -169.6 | -179.4 | 158.1 | 0 | 0 | 110.8 | W30 H37 A64 I65 I66 | W30-E45 WeakPolarHBondContact CZ2-OE1 3.03Å; H37-E45 IonicContact CD2-OE2 2.78Å; H37-E45 IonicContact CE1-OE2 2.84Å; H37-E45 IonicContact NE2-OE2 3.83Å; H37-E45 PolarHBondContact NE2-OE2 3.32Å; E45-A64 PolarHBondContact N-O 3.22Å; E45-I65 HydrophobicContact CB-CB 4.48Å; E45-I65 HydrophobicContact CB-CG2 3.86Å; E45-I65 CarbonylContact O-C 3.53Å; E45-I65 WeakPolarHBondContact O-CA 3.24Å; E45-I66 PolarHBondContact O-N 3.22Å |
| 46 | Q | 90.9 | Very high | 79.9 | Confident | 85 Ų | 85 | 82.5 Ų | 82.5 | 40% | 0.397 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 112.3 | 178.4 | -64.4 | -72.3 | -35.6 | 0 | 0 | 110.2 | V44 Y48 N68 | V44-Q46 PolarHBondContact O-N 3.27Å; Q46-Y48 HydrophobicContact CB-CD2 4.43Å; Q46-Y48 HydrophobicContact CB-CE2 3.62Å; Q46-N68 PolarHBondContact OE1-ND2 3.42Å |
| 47 | V | 92.3 | Very high | 81 | Confident | 4 Ų | 4 | 79.8 Ų | 79.8 | 2% | 0.024 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.5 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | W30 L49 I66 V67 N68 | W30-V47 HydrophobicContact CB-CG1 3.74Å; W30-V47 HydrophobicContact CD2-CG1 4.13Å; W30-V47 HydrophobicContact CD2-CG2 3.98Å; W30-V47 HydrophobicContact CG-CG1 3.57Å; W30-V47 HydrophobicContact CG-CG2 4.2Å; W30-V47 HydrophobicContact CZ2-CG2 3.92Å; V47-L49 HydrophobicContact CG1-CD1 4.46Å; V47-L49 HydrophobicContact CG1-CD2 4.16Å; V47-L49 HydrophobicContact CG1-CG 4.1Å; V47-I66 PolarHBondContact N-O 3.14Å; V47-V67 HydrophobicContact CB-CG1 4.38Å; V47-V67 HydrophobicContact CB-CG2 4.26Å; V47-V67 HydrophobicContact CG1-CG1 4.29Å; V47-V67 WeakPolarHBondContact O-CA 3.49Å; V47-N68 PolarHBondContact O-N 3.43Å |
| 48 | Y | 92.1 | Very high | 82.6 | Confident | 115 Ų | 115 | 76.1 Ų | 76.1 | 45% | 0.451 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.7 | 179.2 | -66.1 | -89.9 | 0 | 0 | 0 | 110.2 | Q46 N68 | Q46-Y48 HydrophobicContact CB-CD2 4.43Å; Q46-Y48 HydrophobicContact CB-CE2 3.62Å; Y48-N68 HydrophobicContact CD1-CB 3.49Å; Y48-N68 VanDerWaalsContact CD1-CB 3.49Å; Y48-N68 HydrophobicContact CE1-CB 3.8Å; Y48-N68 WeakPolarHBondContact CE1-ND2 3.46Å; Y48-N68 HydrophobicContact CG-CB 4.25Å |
| 49 | L | 92.6 | Very high | 84.3 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 124.5 | 178.3 | -52 | 173.6 | 0 | 0 | 0 | 109.2 | Q27 W30 V47 V67 N68 L69 R70 Y147 | Q27-L49 WeakPolarHBondContact O-CA 3.33Å; Q27-L49 WeakPolarHBondContact O-CD2 3.45Å; W30-L49 HydrophobicContact CB-CD2 4.01Å; V47-L49 HydrophobicContact CG1-CD1 4.46Å; V47-L49 HydrophobicContact CG1-CD2 4.16Å; V47-L49 HydrophobicContact CG1-CG 4.1Å; L49-V67 HydrophobicContact CD1-CG1 4.02Å; L49-V67 HydrophobicContact CG-CG1 4.49Å; L49-N68 PolarHBondContact N-O 3.21Å; L49-L69 HydrophobicContact CB-CD2 3.84Å; L49-L69 HydrophobicContact CD1-CD2 3.78Å; L49-L69 HydrophobicContact CG-CD2 4.24Å; L49-R70 PolarHBondContact O-N 3.34Å; L49-Y147 HydrophobicContact CB-CE1 4.37Å; L49-Y147 HydrophobicContact CD1-CD1 4.3Å; L49-Y147 HydrophobicContact CD1-CE1 3.59Å |
| 50 | R | 89.9 | Confident | 86.2 | Confident | 138 Ų | 138 | 70.7 Ų | 70.7 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | trans | -110.9 | 16.3 | -170.3 | -66.2 | -170.3 | -179.2 | -178.8 | 3.2 | 114.5 | R70 N72 | R50-R70 CarbonylContact C-O 3.56Å; R50-R70 WeakPolarHBondContact CA-O 3.37Å; R50-N72 WeakPolarHBondContact O-CA 3.46Å; R50-N72 VanDerWaalsContact O-CB 3.3Å; R50-N72 WeakPolarHBondContact O-CB 3.35Å; R50-N72 PolarHBondContact O-N 3.1Å | ||
| 51 | C | 89.6 | Confident | 88.1 | Confident | 27 Ų | 27 | 61.9 Ų | 61.9 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -101.2 | 162.5 | -175.1 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | C28 Q53 L149 | C28-C51 WeakPolarHBondContact CA-SG 3.16Å; C28-C51 HydrophobicContact CB-CB 3.53Å; C28-C51 WeakPolarHBondContact CB-SG 3.19Å; C28-C51 WeakPolarHBondContact SG-CB 3.31Å; C28-C51 CovalentContact SG-SG 2.03Å; C28-C51 PolarHBondContact SG-SG 3.14Å; C51-Q53 WeakPolarHBondContact CB-O 3.06Å; C51-Q53 PolarHBondContact O-N 3.5Å; C51-L149 WeakPolarHBondContact O-CD1 3.4Å |
| 52 | S | 88.9 | Confident | 89.7 | Confident | 75 Ų | 75 | 62.4 Ų | 62.4 | 52% | 0.524 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -73.3 | -18.1 | 172.9 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | E148 L149 | S52-E148 CarbonylContact O-C 3.59Å; S52-E148 WeakPolarHBondContact O-CA 3.4Å; S52-L149 PolarHBondContact O-N 3.31Å |
| 53 | Q | 92 | Very high | 91 | Very high | 73 Ų | 73 | 53 Ų | 53 | 34% | 0.341 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 157.1 | 175.9 | 66.5 | -175.4 | 41.7 | 0 | 0 | 110.4 | C51 Y147 E148 | C51-Q53 WeakPolarHBondContact CB-O 3.06Å; C51-Q53 PolarHBondContact O-N 3.5Å; Q53-Y147 CarbonylContact C-O 3.53Å; Q53-Y147 WeakPolarHBondContact CA-O 3.33Å; Q53-E148 HydrophobicContact CB-CG 3.87Å |
| 54 | G | 93.1 | Very high | 92 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.4 | -159.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | C28 Q146 Y147 | C28-G54 WeakPolarHBondContact O-CA 3.43Å; G54-Q146 WeakPolarHBondContact O-CA 3.38Å; G54-Y147 VanDerWaalsContact C-CD1 3.46Å; G54-Y147 PolarHBondContact N-O 3.32Å; G54-Y147 WeakPolarHBondContact O-CD1 3.24Å; G54-Y147 PolarHBondContact O-N 2.85Å |
| 55 | S | 95 | Very high | 92.4 | Very high | 48 Ų | 48 | 45.7 Ų | 45.7 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156 | -177.1 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | S29 W30 F145 | S29-S55 CarbonylContact C-O 3.6Å; S29-S55 WeakPolarHBondContact CA-O 3.4Å; S29-S55 WeakPolarHBondContact CB-O 3.29Å; S29-S55 WeakPolarHBondContact CB-OG 3.36Å; S29-S55 PolarHBondContact OG-N 3.21Å; S29-S55 PolarHBondContact OG-OG 2.94Å; W30-S55 PolarHBondContact N-O 2.94Å; S55-F145 CarbonylContact C-O 3.49Å; S55-F145 WeakPolarHBondContact CA-O 3.31Å |
| 56 | L | 96.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.5 | 171.5 | -174.8 | 144.8 | 0 | 0 | 0 | 108.8 | W30 W58 I65 V67 I130 A144 F145 | W30-L56 HydrophobicContact CE3-CD1 4.19Å; W30-L56 HydrophobicContact CE3-CD2 4.37Å; W30-L56 HydrophobicContact CE3-CG 3.85Å; W30-L56 HydrophobicContact CZ3-CD2 4.33Å; W30-L56 HydrophobicContact CZ3-CG 4.28Å; W30-L56 CarbonylContact O-C 3.6Å; W30-L56 WeakPolarHBondContact O-CA 3.31Å; L56-W58 HydrophobicContact CD2-CB 4.21Å; L56-I65 HydrophobicContact CD1-CD1 4.22Å; L56-V67 HydrophobicContact CD1-CB 4.32Å; L56-V67 HydrophobicContact CD1-CG1 3.99Å; L56-V67 HydrophobicContact CD1-CG2 3.41Å; L56-V67 VanDerWaalsContact CD1-CG2 3.41Å; L56-I130 HydrophobicContact CD1-CD1 4.17Å; L56-I130 HydrophobicContact CD2-CD1 4.4Å; L56-A144 WeakPolarHBondContact O-CA 3.44Å; L56-F145 HydrophobicContact CB-CD1 4.26Å; L56-F145 HydrophobicContact CB-CD2 4.43Å; L56-F145 HydrophobicContact CB-CE1 3.87Å; L56-F145 HydrophobicContact CB-CE2 4.05Å; L56-F145 HydrophobicContact CB-CZ 3.75Å; L56-F145 HydrophobicContact CD1-CE1 4.05Å; L56-F145 HydrophobicContact CD1-CZ 3.84Å; L56-F145 HydrophobicContact CD2-CD1 4.25Å; L56-F145 HydrophobicContact CD2-CE1 3.75Å; L56-F145 HydrophobicContact CD2-CZ 4.35Å; L56-F145 HydrophobicContact CG-CE1 4.09Å; L56-F145 HydrophobicContact CG-CZ 4.18Å; L56-F145 PolarHBondContact N-O 2.96Å; L56-F145 PolarHBondContact O-N 2.82Å |
| 57 | E | 96.4 | Very high | 93 | Very high | 55 Ų | 55 | 40 Ų | 40 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 110.8 | 172.3 | -169.5 | -171.2 | 152.5 | 0 | 0 | 109.6 | W30 K31 G32 I142 A144 | W30-E57 PolarHBondContact O-N 3.3Å; K31-E57 VanDerWaalsContact CA-O 3.26Å; K31-E57 WeakPolarHBondContact CA-O 3.35Å; K31-E57 WeakPolarHBondContact CE-OE1 3.28Å; K31-E57 HydrophobicContact CG-CB 4.29Å; K31-E57 IonicContact NZ-OE1 3.74Å; K31-E57 PolarHBondContact NZ-OE1 2.99Å; K31-E57 IonicContact NZ-OE2 3.19Å; K31-E57 PolarHBondContact NZ-OE2 3.22Å; G32-E57 PolarHBondContact N-O 2.92Å; E57-I142 HydrophobicContact CG-CG2 3.76Å; E57-A144 HydrophobicContact CG-CB 4.5Å |
| 58 | W | 95.3 | Very high | 93 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 108.7 | 177 | -163.7 | 15.2 | 0 | 0 | 0 | 110.3 | W30 L56 P61 T62 I65 T94 I130 A132 I142 T143 | W30-W58 HydrophobicContact CH2-CB 4.32Å; W30-W58 AromaticContact CH2-CD1 3.6Å; W30-W58 AromaticContact CH2-CG 3.93Å; W30-W58 HydrophobicContact CH2-CG 3.93Å; W30-W58 HydrophobicContact CZ3-CB 3.79Å; W30-W58 AromaticContact CZ3-CD1 3.94Å; W30-W58 AromaticContact CZ3-CG 3.91Å; W30-W58 HydrophobicContact CZ3-CG 3.91Å; L56-W58 HydrophobicContact CD2-CB 4.21Å; W58-P61 HydrophobicContact CD2-CB 3.69Å; W58-P61 HydrophobicContact CE3-CB 3.5Å; W58-P61 VanDerWaalsContact CE3-CB 3.5Å; W58-P61 HydrophobicContact CG-CB 4.37Å; W58-P61 HydrophobicContact CH2-CB 3.94Å; W58-P61 HydrophobicContact CZ2-CB 4.15Å; W58-P61 HydrophobicContact CZ3-CB 3.62Å; W58-T62 WeakPolarHBondContact CH2-O 3.49Å; W58-T62 WeakPolarHBondContact CZ2-O 3.35Å; W58-I65 HydrophobicContact CD2-CD1 4Å; W58-I65 HydrophobicContact CD2-CG1 4.5Å; W58-I65 HydrophobicContact CD2-CG2 4.38Å; W58-I65 HydrophobicContact CE3-CD1 3.89Å; W58-I65 HydrophobicContact CE3-CG1 4.05Å; W58-I65 HydrophobicContact CE3-CG2 4.5Å; W58-I65 HydrophobicContact CG-CD1 4.38Å; W58-I65 HydrophobicContact CH2-CG1 4.49Å; W58-I65 HydrophobicContact CH2-CG2 3.89Å; W58-I65 HydrophobicContact CZ2-CG2 3.69Å; W58-I65 HydrophobicContact CZ3-CD1 4.4Å; W58-I65 HydrophobicContact CZ3-CG1 4.06Å; W58-I65 HydrophobicContact CZ3-CG2 4.28Å; W58-T94 HydrophobicContact CE3-CG2 3.87Å; W58-T94 HydrophobicContact CZ3-CG2 3.79Å; W58-I130 HydrophobicContact CE3-CG2 4.1Å; W58-I130 HydrophobicContact CZ3-CG2 4.06Å; W58-A132 HydrophobicContact CH2-CB 4.48Å; W58-I142 WeakPolarHBondContact O-CA 3.12Å; W58-T143 PolarHBondContact N-O 3.16Å; W58-T143 PolarHBondContact O-N 2.82Å |
| 59 | L | 94.5 | Very high | 93 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 17% | 0.173 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 136.2 | 177.6 | -61.5 | 171.9 | 0 | 0 | 0 | 109.7 | G32 S33 G34 I142 | G32-L59 PolarHBondContact O-N 3.43Å; S33-L59 CarbonylContact C-O 3.52Å; S33-L59 VanDerWaalsContact CA-O 3.24Å; S33-L59 WeakPolarHBondContact CA-O 3.45Å; G34-L59 PolarHBondContact N-O 2.94Å; L59-I142 HydrophobicContact CD2-CB 4.46Å; L59-I142 HydrophobicContact CD2-CD1 3.81Å; L59-I142 HydrophobicContact CD2-CG1 3.77Å; L59-I142 HydrophobicContact CD2-CG2 4.03Å |
| 60 | Y | 92.4 | Very high | 92.7 | Very high | 83 Ų | 83 | 42.7 Ų | 42.7 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 49.5 | 60.7 | 176.1 | -55.5 | -78.7 | 0 | 0 | 0 | 112.1 | G34 L35 T62 R140 R141 | G34-Y60 WeakPolarHBondContact CA-O 3.34Å; G34-Y60 PolarHBondContact N-O 3.13Å; L35-Y60 HydrophobicContact CD1-CD1 4.21Å; L35-Y60 HydrophobicContact CD1-CD2 3.72Å; L35-Y60 HydrophobicContact CD1-CE2 4.29Å; L35-Y60 HydrophobicContact CD1-CG 3.69Å; L35-Y60 HydrophobicContact CG-CD2 4.27Å; L35-Y60 HydrophobicContact CG-CG 4Å; Y60-T62 PolarHBondContact O-N 3.3Å; Y60-T62 PolarHBondContact O-OG1 3.1Å; Y60-R140 HydrophobicContact CE1-CB 4.16Å; Y60-R140 HydrophobicContact CE1-CG 4.19Å; Y60-R141 PolarHBondContact N-O 3.33Å |
| 61 | P | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | trans | -58.6 | 130.2 | -174.3 | 25.7 | -35 | 0 | 0 | 0 | 111.2 | W58 T94 A132 R141 | W58-P61 HydrophobicContact CD2-CB 3.69Å; W58-P61 HydrophobicContact CE3-CB 3.5Å; W58-P61 VanDerWaalsContact CE3-CB 3.5Å; W58-P61 HydrophobicContact CG-CB 4.37Å; W58-P61 HydrophobicContact CH2-CB 3.94Å; W58-P61 HydrophobicContact CZ2-CB 4.15Å; W58-P61 HydrophobicContact CZ3-CB 3.62Å; P61-T94 HydrophobicContact CB-CG2 3.54Å; P61-T94 HydrophobicContact CG-CG2 3.9Å; P61-A132 HydrophobicContact CB-CB 4.03Å; P61-A132 WeakPolarHBondContact O-CB 3.44Å; P61-R141 HydrophobicContact CG-CB 4.45Å | ||
| 62 | T | 90.3 | Very high | 92 | Very high | 79 Ų | 79 | 42.2 Ų | 42.2 | 49% | 0.485 | 24% | 0.236 | S | C | . | . | trans | -138.8 | 134.5 | 179.1 | -54.8 | 0 | 0 | 0 | 0 | 109 | G34 W58 Y60 A64 | G34-T62 WeakPolarHBondContact O-CB 3.06Å; G34-T62 PolarHBondContact O-OG1 2.87Å; W58-T62 WeakPolarHBondContact CH2-O 3.49Å; W58-T62 WeakPolarHBondContact CZ2-O 3.35Å; Y60-T62 PolarHBondContact O-N 3.3Å; Y60-T62 PolarHBondContact O-OG1 3.1Å; T62-A64 PolarHBondContact O-N 2.04Å | ||
| 63 | G | 90.9 | Very high | 91.4 | Very high | 50 Ų | 50 | 43.2 Ų | 43.2 | 52% | 0.515 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 69.3 | -127 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A132 | G63-A132 WeakPolarHBondContact O-CB 3.19Å; G63-A132 PolarHBondContact O-N 3.19Å |
| 64 | A | 93.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 157.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V44 E45 T62 F129 I130 | V44-A64 HydrophobicContact CG1-CB 4.3Å; V44-A64 WeakPolarHBondContact CG1-O 2.99Å; V44-A64 HydrophobicContact CG2-CB 4.43Å; E45-A64 PolarHBondContact N-O 3.22Å; T62-A64 PolarHBondContact O-N 2.04Å; A64-F129 HydrophobicContact CB-CE1 4.02Å; A64-F129 HydrophobicContact CB-CE2 3.67Å; A64-F129 HydrophobicContact CB-CZ 3.37Å; A64-I130 CarbonylContact C-O 3.53Å; A64-I130 WeakPolarHBondContact CA-O 3.38Å; A64-I130 WeakPolarHBondContact CB-O 3.09Å |
| 65 | I | 94.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.6 | 170.5 | 65.8 | 175.1 | 0 | 0 | 0 | 110.6 | W30 E45 L56 W58 V67 I130 | W30-I65 HydrophobicContact CH2-CD1 3.9Å; W30-I65 HydrophobicContact CZ3-CD1 3.91Å; E45-I65 HydrophobicContact CB-CB 4.48Å; E45-I65 HydrophobicContact CB-CG2 3.86Å; E45-I65 CarbonylContact O-C 3.53Å; E45-I65 WeakPolarHBondContact O-CA 3.24Å; L56-I65 HydrophobicContact CD1-CD1 4.22Å; W58-I65 HydrophobicContact CD2-CD1 4Å; W58-I65 HydrophobicContact CD2-CG1 4.5Å; W58-I65 HydrophobicContact CD2-CG2 4.38Å; W58-I65 HydrophobicContact CE3-CD1 3.89Å; W58-I65 HydrophobicContact CE3-CG1 4.05Å; W58-I65 HydrophobicContact CE3-CG2 4.5Å; W58-I65 HydrophobicContact CG-CD1 4.38Å; W58-I65 HydrophobicContact CH2-CG1 4.49Å; W58-I65 HydrophobicContact CH2-CG2 3.89Å; W58-I65 HydrophobicContact CZ2-CG2 3.69Å; W58-I65 HydrophobicContact CZ3-CD1 4.4Å; W58-I65 HydrophobicContact CZ3-CG1 4.06Å; W58-I65 HydrophobicContact CZ3-CG2 4.28Å; I65-V67 HydrophobicContact CD1-CG2 4.02Å; I65-V67 HydrophobicContact CG1-CG2 4.18Å; I65-I130 HydrophobicContact CD1-CD1 4.18Å; I65-I130 HydrophobicContact CG1-CB 3.87Å; I65-I130 HydrophobicContact CG1-CD1 4.21Å; I65-I130 HydrophobicContact CG1-CG1 4.44Å; I65-I130 PolarHBondContact N-O 2.85Å; I65-I130 PolarHBondContact O-N 3.09Å |
| 66 | I | 95.1 | Very high | 88.9 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.1 | 172 | -70.2 | 165.2 | 0 | 0 | 0 | 109 | V44 E45 V47 A127 L128 F129 | V44-I66 HydrophobicContact CG1-CB 4.41Å; V44-I66 HydrophobicContact CG1-CD1 3.75Å; V44-I66 HydrophobicContact CG1-CG1 3.7Å; E45-I66 PolarHBondContact O-N 3.22Å; V47-I66 PolarHBondContact N-O 3.14Å; I66-A127 HydrophobicContact CG2-CB 3.81Å; I66-L128 CarbonylContact C-O 3.54Å; I66-L128 WeakPolarHBondContact CA-O 3.43Å; I66-F129 HydrophobicContact CD1-CD2 4.01Å; I66-F129 HydrophobicContact CG1-CB 4.49Å; I66-F129 HydrophobicContact CG1-CD2 3.59Å; I66-F129 HydrophobicContact CG1-CE2 4.34Å |
| 67 | V | 95.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 112.9 | -178.1 | -170 | 0 | 0 | 0 | 0 | 109.7 | V47 L49 L56 I65 L69 A127 L128 I130 | V47-V67 HydrophobicContact CB-CG1 4.38Å; V47-V67 HydrophobicContact CB-CG2 4.26Å; V47-V67 HydrophobicContact CG1-CG1 4.29Å; V47-V67 WeakPolarHBondContact O-CA 3.49Å; L49-V67 HydrophobicContact CD1-CG1 4.02Å; L49-V67 HydrophobicContact CG-CG1 4.49Å; L56-V67 HydrophobicContact CD1-CB 4.32Å; L56-V67 HydrophobicContact CD1-CG1 3.99Å; L56-V67 HydrophobicContact CD1-CG2 3.41Å; L56-V67 VanDerWaalsContact CD1-CG2 3.41Å; I65-V67 HydrophobicContact CD1-CG2 4.02Å; I65-V67 HydrophobicContact CG1-CG2 4.18Å; V67-L69 HydrophobicContact CG1-CD2 3.91Å; V67-L69 HydrophobicContact CG1-CG 4.23Å; V67-A127 WeakPolarHBondContact O-CB 3.46Å; V67-L128 HydrophobicContact CB-CB 4.21Å; V67-L128 PolarHBondContact N-O 3.24Å; V67-L128 PolarHBondContact O-N 3.01Å; V67-I130 HydrophobicContact CG2-CD1 3.71Å |
| 68 | N | 93.6 | Very high | 87.3 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 102.2 | 179.5 | -70 | -87.8 | 0 | 0 | 0 | 109.7 | Q46 V47 Y48 L49 | Q46-N68 PolarHBondContact OE1-ND2 3.42Å; V47-N68 PolarHBondContact O-N 3.43Å; Y48-N68 HydrophobicContact CD1-CB 3.49Å; Y48-N68 VanDerWaalsContact CD1-CB 3.49Å; Y48-N68 HydrophobicContact CE1-CB 3.8Å; Y48-N68 WeakPolarHBondContact CE1-ND2 3.46Å; Y48-N68 HydrophobicContact CG-CB 4.25Å; L49-N68 PolarHBondContact N-O 3.21Å |
| 69 | L | 92 | Very high | 86.7 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 116.8 | 177 | -59.4 | 176.5 | 0 | 0 | 0 | 109.8 | L49 V67 V83 L128 Y147 | L49-L69 HydrophobicContact CB-CD2 3.84Å; L49-L69 HydrophobicContact CD1-CD2 3.78Å; L49-L69 HydrophobicContact CG-CD2 4.24Å; V67-L69 HydrophobicContact CG1-CD2 3.91Å; V67-L69 HydrophobicContact CG1-CG 4.23Å; L69-V83 HydrophobicContact CB-CG1 4.43Å; L69-V83 HydrophobicContact CB-CG2 4.44Å; L69-V83 HydrophobicContact CD1-CG1 3.44Å; L69-V83 VanDerWaalsContact CD1-CG1 3.44Å; L69-L128 HydrophobicContact CD1-CD1 3.76Å; L69-Y147 HydrophobicContact CD1-CD2 4.22Å; L69-Y147 HydrophobicContact CD1-CG 4.12Å; L69-Y147 HydrophobicContact CD2-CD1 4.04Å; L69-Y147 HydrophobicContact CD2-CD2 3.84Å; L69-Y147 HydrophobicContact CD2-CE1 4.09Å; L69-Y147 HydrophobicContact CD2-CE2 3.89Å; L69-Y147 HydrophobicContact CD2-CG 3.92Å |
| 70 | R | 85.1 | Confident | 86.3 | Confident | 146 Ų | 146 | 61.1 Ų | 61.1 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | trans | -139.1 | 151.3 | -179.8 | -63.5 | -171.3 | -175.3 | -174.8 | 3.8 | 111.4 | L49 R50 | L49-R70 PolarHBondContact O-N 3.34Å; R50-R70 CarbonylContact C-O 3.56Å; R50-R70 WeakPolarHBondContact CA-O 3.37Å | ||
| 71 | P | 84.8 | Confident | 86.2 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | trans | -70 | 152.5 | 168.9 | 29.6 | -33.7 | 0 | 0 | 0 | 110.6 | T73 A78 L81 L149 | P71-T73 PolarHBondContact O-N 2.89Å; P71-A78 HydrophobicContact CG-CB 3.65Å; P71-L81 HydrophobicContact CB-CD1 4.03Å; P71-L81 HydrophobicContact CG-CD1 3.9Å; P71-L149 HydrophobicContact CB-CD1 3.97Å | ||
| 72 | N | 79.6 | Confident | 86.2 | Confident | 127 Ų | 127 | 58.6 Ų | 58.6 | 68% | 0.679 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -69.4 | -20.9 | 176.8 | -158.7 | 18.6 | 0 | 0 | 0 | 112.8 | R50 | R50-N72 WeakPolarHBondContact O-CA 3.46Å; R50-N72 VanDerWaalsContact O-CB 3.3Å; R50-N72 WeakPolarHBondContact O-CB 3.35Å; R50-N72 PolarHBondContact O-N 3.1Å |
| 73 | T | 75.8 | Confident | 86.3 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -107.5 | 128.8 | -176.6 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | P71 S75 | P71-T73 PolarHBondContact O-N 2.89Å; T73-S75 PolarHBondContact O-N 2.89Å |
| 74 | L | 71.1 | Confident | 86.5 | Confident | 186 Ų | 186 | 52.6 Ų | 52.6 | 97% | 0.974 | 29% | 0.293 | S | S | * | . | trans | -83.6 | 92.4 | 173.4 | -65 | 172.1 | 0 | 0 | 0 | 108.7 | ||||
| 75 | S | 79.3 | Confident | 86.7 | Confident | 51 Ų | 51 | 52.1 Ų | 52.1 | 36% | 0.357 | 29% | 0.288 | S | S | . | . | trans | -125.6 | 153.5 | 173.7 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | T73 A77 A78 | T73-S75 PolarHBondContact O-N 2.89Å; S75-A77 PolarHBondContact O-N 3.21Å; S75-A77 VanDerWaalsContact O-N 3.12Å; S75-A77 PolarHBondContact OG-N 3.25Å; S75-A78 WeakPolarHBondContact O-CB 3.3Å; S75-A78 PolarHBondContact O-N 3.27Å; S75-A78 PolarHBondContact OG-N 3.47Å | ||
| 76 | P | 77.8 | Confident | 86.8 | Confident | 122 Ų | 122 | 53.7 Ų | 53.7 | 79% | 0.792 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -57.3 | -26.3 | 171.8 | -25.3 | 34.8 | 0 | 0 | 0 | 113.1 | A78 A79 | P76-A78 VanDerWaalsContact C-N 3.28Å; P76-A78 PolarHBondContact O-N 2.98Å; P76-A79 PolarHBondContact O-N 2.99Å |
| 77 | A | 78.9 | Confident | 86.9 | Confident | 60 Ų | 60 | 53 Ų | 53 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -67.4 | -26.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S75 A79 R80 | S75-A77 PolarHBondContact O-N 3.21Å; S75-A77 VanDerWaalsContact O-N 3.12Å; S75-A77 PolarHBondContact OG-N 3.25Å; A77-A79 PolarHBondContact O-N 3.4Å; A77-R80 PolarHBondContact O-N 2.8Å |
| 78 | A | 79.9 | Confident | 86.8 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -57.3 | -31.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P71 S75 P76 R80 L81 I123 | P71-A78 HydrophobicContact CG-CB 3.65Å; S75-A78 WeakPolarHBondContact O-CB 3.3Å; S75-A78 PolarHBondContact O-N 3.27Å; S75-A78 PolarHBondContact OG-N 3.47Å; P76-A78 VanDerWaalsContact C-N 3.28Å; P76-A78 PolarHBondContact O-N 2.98Å; A78-R80 PolarHBondContact O-N 3.01Å; A78-L81 HydrophobicContact CB-CD1 4.38Å; A78-L81 WeakPolarHBondContact O-CB 3.44Å; A78-L81 WeakPolarHBondContact O-CG 3.48Å; A78-L81 PolarHBondContact O-N 3.44Å; A78-I123 WeakPolarHBondContact O-CG2 3.38Å |
| 79 | A | 82.6 | Confident | 86.8 | Confident | 37 Ų | 37 | 61.6 Ų | 61.6 | 31% | 0.306 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -75.6 | -2.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P76 A77 R124 | P76-A79 PolarHBondContact O-N 2.99Å; A77-A79 PolarHBondContact O-N 3.4Å; A79-R124 PolarHBondContact O-NE 3.27Å; A79-R124 PolarHBondContact O-NH2 3.28Å |
| 80 | R | 85.9 | Confident | 86.8 | Confident | 134 Ų | 134 | 67.1 Ų | 67.1 | 51% | 0.506 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -115 | 29.5 | 174.5 | -59.6 | -178.1 | -179.1 | 158.1 | 0.1 | 110.9 | A77 A78 D152 | A77-R80 PolarHBondContact O-N 2.8Å; A78-R80 PolarHBondContact O-N 3.01Å; R80-D152 VanDerWaalsContact C-CG 3.46Å; R80-D152 WeakPolarHBondContact CA-OD2 3.46Å; R80-D152 VanDerWaalsContact O-CB 3.29Å; R80-D152 WeakPolarHBondContact O-CB 3.36Å; R80-D152 PolarHBondContact O-N 2.9Å |
| 81 | L | 90.2 | Very high | 87.3 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 143.4 | 173.5 | -62.3 | 176.8 | 0 | 0 | 0 | 109.9 | P71 A78 I123 L149 V150 | P71-L81 HydrophobicContact CB-CD1 4.03Å; P71-L81 HydrophobicContact CG-CD1 3.9Å; A78-L81 HydrophobicContact CB-CD1 4.38Å; A78-L81 WeakPolarHBondContact O-CB 3.44Å; A78-L81 WeakPolarHBondContact O-CG 3.48Å; A78-L81 PolarHBondContact O-N 3.44Å; L81-I123 HydrophobicContact CB-CG2 4.35Å; L81-I123 WeakPolarHBondContact O-CB 3.31Å; L81-I123 VanDerWaalsContact O-CG2 3.24Å; L81-I123 WeakPolarHBondContact O-CG2 3.31Å; L81-I123 PolarHBondContact O-N 2.91Å; L81-L149 HydrophobicContact CD1-CD1 4.48Å; L81-V150 CarbonylContact C-O 3.51Å; L81-V150 VanDerWaalsContact CA-O 3.29Å; L81-V150 WeakPolarHBondContact CA-O 3.37Å |
| 82 | S | 92.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 142.5 | 162.2 | -75 | 0 | 0 | 0 | 0 | 109.3 | F121 L149 V150 D152 R155 | S82-F121 CarbonylContact C-O 3.53Å; S82-F121 WeakPolarHBondContact CA-O 3.34Å; S82-L149 WeakPolarHBondContact O-CA 3.19Å; S82-V150 PolarHBondContact N-O 3.08Å; S82-V150 PolarHBondContact O-N 3.26Å; S82-D152 WeakPolarHBondContact CB-OD1 3.33Å; S82-D152 PolarHBondContact N-OD1 3.32Å; S82-D152 PolarHBondContact OG-OD1 3.48Å; S82-R155 PolarHBondContact OG-NH1 3.47Å |
| 83 | V | 93.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 128.6 | 165 | -179 | 0 | 0 | 0 | 0 | 106.9 | L69 I85 C120 F121 I123 L149 | L69-V83 HydrophobicContact CB-CG1 4.43Å; L69-V83 HydrophobicContact CB-CG2 4.44Å; L69-V83 HydrophobicContact CD1-CG1 3.44Å; L69-V83 VanDerWaalsContact CD1-CG1 3.44Å; V83-I85 HydrophobicContact CG1-CG2 4.37Å; V83-C120 CarbonylContact O-C 3.57Å; V83-C120 VanDerWaalsContact O-CA 3.22Å; V83-C120 WeakPolarHBondContact O-CA 3.44Å; V83-F121 HydrophobicContact CB-CD1 4.44Å; V83-F121 HydrophobicContact CB-CD2 4.13Å; V83-F121 HydrophobicContact CB-CE1 3.96Å; V83-F121 HydrophobicContact CB-CE2 3.62Å; V83-F121 HydrophobicContact CB-CZ 3.53Å; V83-F121 HydrophobicContact CG1-CE1 3.85Å; V83-F121 HydrophobicContact CG1-CE2 4.06Å; V83-F121 HydrophobicContact CG1-CZ 3.46Å; V83-F121 VanDerWaalsContact CG1-CZ 3.46Å; V83-F121 HydrophobicContact CG2-CE2 3.91Å; V83-F121 HydrophobicContact CG2-CZ 4.19Å; V83-F121 PolarHBondContact N-O 2.98Å; V83-F121 PolarHBondContact O-N 2.85Å; V83-I123 HydrophobicContact CG2-CB 4.26Å; V83-I123 HydrophobicContact CG2-CG1 4.13Å; V83-L149 HydrophobicContact CB-CD2 4.32Å; V83-L149 HydrophobicContact CG1-CD2 4.46Å; V83-L149 HydrophobicContact CG2-CD2 3.68Å |
| 84 | C | 95 | Very high | 89.5 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.5 | 171.9 | -63 | 0 | 0 | 0 | 0 | 109.1 | V118 H119 C120 Y147 E148 V150 F252 | C84-V118 HydrophobicContact CB-CG1 3.93Å; C84-H119 CarbonylContact C-O 3.57Å; C84-H119 VanDerWaalsContact CA-O 3.31Å; C84-H119 WeakPolarHBondContact CA-O 3.48Å; C84-C120 HydrophobicContact CB-CB 4.13Å; C84-C120 WeakPolarHBondContact CB-SG 3.46Å; C84-C120 WeakPolarHBondContact SG-CB 3.43Å; C84-C120 CovalentContact SG-SG 2.04Å; C84-C120 PolarHBondContact SG-SG 2.8Å; C84-Y147 CarbonylContact O-C 3.56Å; C84-Y147 VanDerWaalsContact O-CA 3.26Å; C84-Y147 WeakPolarHBondContact O-CA 3.37Å; C84-E148 PolarHBondContact N-O 3.49Å; C84-E148 PolarHBondContact O-N 2.66Å; C84-V150 HydrophobicContact CB-CG2 4.36Å; C84-F252 HydrophobicContact CB-CE2 4.24Å; C84-F252 HydrophobicContact CB-CZ 3.69Å |
| 85 | I | 96.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 145.8 | 173.6 | 63.6 | 173.3 | 0 | 0 | 0 | 110.4 | V83 I96 L107 V118 H119 L128 F145 Q146 | V83-I85 HydrophobicContact CG1-CG2 4.37Å; I85-I96 HydrophobicContact CD1-CD1 4.22Å; I85-I96 HydrophobicContact CD1-CG2 4.32Å; I85-L107 HydrophobicContact CD1-CD2 3.77Å; I85-L107 HydrophobicContact CG1-CD2 4.47Å; I85-V118 WeakPolarHBondContact O-CA 3.44Å; I85-H119 HydrophobicContact CG1-CB 4.2Å; I85-H119 PolarHBondContact N-O 3.46Å; I85-H119 PolarHBondContact O-N 3.37Å; I85-L128 HydrophobicContact CD1-CD2 4.5Å; I85-L128 HydrophobicContact CG2-CD1 4.02Å; I85-F145 HydrophobicContact CB-CD2 3.97Å; I85-F145 HydrophobicContact CB-CE2 4.42Å; I85-F145 HydrophobicContact CG2-CD2 3.87Å; I85-F145 HydrophobicContact CG2-CE2 3.83Å; I85-Q146 CarbonylContact C-O 3.52Å; I85-Q146 VanDerWaalsContact CA-O 3.26Å; I85-Q146 WeakPolarHBondContact CA-O 3.24Å |
| 86 | K | 96.3 | Very high | 91.6 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 108.7 | 172.4 | -169.1 | -177.7 | -179.6 | -179 | 0 | 108.9 | G116 V118 F145 Q146 F252 E254 | K86-G116 WeakPolarHBondContact CE-O 3.43Å; K86-G116 WeakPolarHBondContact CG-O 3.44Å; K86-V118 HydrophobicContact CB-CG2 4.15Å; K86-V118 HydrophobicContact CD-CG2 4.07Å; K86-V118 HydrophobicContact CG-CG2 4.05Å; K86-F145 CarbonylContact O-C 3.5Å; K86-F145 VanDerWaalsContact O-CA 3.27Å; K86-F145 WeakPolarHBondContact O-CA 3.33Å; K86-F145 VanDerWaalsContact O-CB 3.31Å; K86-F145 WeakPolarHBondContact O-CB 3.29Å; K86-Q146 PolarHBondContact N-O 2.96Å; K86-Q146 PolarHBondContact O-N 3.41Å; K86-F252 HydrophobicContact CB-CB 4.33Å; K86-F252 HydrophobicContact CB-CD1 3.51Å; K86-F252 HydrophobicContact CB-CD2 4.31Å; K86-F252 HydrophobicContact CB-CE1 3.78Å; K86-F252 HydrophobicContact CB-CG 3.79Å; K86-F252 HydrophobicContact CB-CZ 4.29Å; K86-F252 HydrophobicContact CD-CB 3.57Å; K86-F252 HydrophobicContact CD-CD1 4.35Å; K86-F252 HydrophobicContact CD-CD2 4.32Å; K86-F252 HydrophobicContact CD-CG 3.83Å; K86-F252 HydrophobicContact CG-CG 4.46Å; K86-E254 IonicContact NZ-OE1 2.82Å; K86-E254 PolarHBondContact NZ-OE1 2.83Å; K86-E254 IonicContact NZ-OE2 3.79Å; K86-E254 PolarHBondContact NZ-OE2 2.87Å |
| 87 | P | 96.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 146.8 | 175.8 | 30.2 | -34.3 | 0 | 0 | 0 | 110.6 | L108 Q113 K117 | P87-L108 HydrophobicContact CB-CD2 4.24Å; P87-L108 HydrophobicContact CG-CD2 3.87Å; P87-Q113 HydrophobicContact CB-CB 3.93Å; P87-Q113 HydrophobicContact CG-CB 4.35Å; P87-Q113 VanDerWaalsContact CG-O 3.26Å; P87-Q113 WeakPolarHBondContact CG-O 3.16Å; P87-K117 WeakPolarHBondContact CD-O 3.24Å |
| 88 | S | 95.3 | Very high | 93.5 | Very high | 48 Ų | 48 | 34.5 Ų | 34.5 | 34% | 0.336 | 18% | 0.176 | S | C | . | . | trans | -66.2 | 146.2 | 164.8 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | D90 S91 A144 | S88-D90 PolarHBondContact O-N 3.5Å; S88-D90 VanDerWaalsContact O-N 3.14Å; S88-D90 PolarHBondContact OG-N 3.45Å; S88-S91 WeakPolarHBondContact O-CB 3.48Å; S88-S91 PolarHBondContact O-N 3.06Å; S88-A144 PolarHBondContact N-O 2.95Å | ||
| 89 | K | 93 | Very high | 94.3 | Very high | 153 Ų | 153 | 35 Ų | 35 | 67% | 0.665 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.1 | 174.6 | -65.8 | -172.6 | 175.9 | -174.4 | 0 | 112.6 | S91 | K89-S91 VanDerWaalsContact C-N 3.34Š|
| 90 | D | 92.9 | Very high | 94.8 | Very high | 128 Ų | 128 | 40.3 Ų | 40.3 | 68% | 0.684 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4.5 | -179.9 | -49.7 | -21.2 | 0 | 0 | 0 | 112.1 | S88 T92 | S88-D90 PolarHBondContact O-N 3.5Å; S88-D90 VanDerWaalsContact O-N 3.14Å; S88-D90 PolarHBondContact OG-N 3.45Å; D90-T92 PolarHBondContact O-N 3.31Å |
| 91 | S | 95.1 | Very high | 95 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | trans | -70.4 | 124 | -178.5 | -169.6 | 0 | 0 | 0 | 0 | 111 | S88 K89 Q113 I142 T143 A144 | S88-S91 WeakPolarHBondContact O-CB 3.48Å; S88-S91 PolarHBondContact O-N 3.06Å; K89-S91 VanDerWaalsContact C-N 3.34Å; S91-Q113 PolarHBondContact OG-OE1 2.78Å; S91-I142 CarbonylContact C-O 3.52Å; S91-I142 VanDerWaalsContact CA-O 3.28Å; S91-I142 WeakPolarHBondContact CA-O 3.04Å; S91-T143 WeakPolarHBondContact OG-CA 3.22Å; S91-A144 WeakPolarHBondContact CB-O 3.47Å; S91-A144 PolarHBondContact OG-N 3.25Å; S91-A144 PolarHBondContact OG-O 2.83Å | ||
| 92 | T | 94.8 | Very high | 94.9 | Very high | 49 Ų | 49 | 43 Ų | 43 | 30% | 0.301 | 23% | 0.227 | S | C | . | . | trans | -148.3 | 164.7 | -175 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | D90 I142 T143 | D90-T92 PolarHBondContact O-N 3.31Å; T92-I142 PolarHBondContact N-O 3.48Å; T92-I142 CarbonylContact O-C 3.59Å; T92-I142 VanDerWaalsContact O-C 3.31Å; T92-T143 PolarHBondContact O-N 2.72Å; T92-T143 PolarHBondContact O-OG1 3.1Å | ||
| 93 | G | 94.1 | Very high | 95 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 87.9 | 4.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116 | E110 A132 V133 | G93-E110 WeakPolarHBondContact CA-OE1 3.49Å; G93-E110 PolarHBondContact N-OE1 3.46Å; G93-A132 CarbonylContact O-C 3.31Å; G93-A132 WeakPolarHBondContact O-CA 3.4Å; G93-V133 PolarHBondContact O-N 2.78Å |
| 94 | T | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 156 | 179 | 59.9 | 0 | 0 | 0 | 0 | 114.3 | W58 P61 E110 Q113 I130 E131 T143 | W58-T94 HydrophobicContact CE3-CG2 3.87Å; W58-T94 HydrophobicContact CZ3-CG2 3.79Å; P61-T94 HydrophobicContact CB-CG2 3.54Å; P61-T94 HydrophobicContact CG-CG2 3.9Å; T94-E110 WeakPolarHBondContact O-CA 3.48Å; T94-E110 WeakPolarHBondContact O-CB 3.38Å; T94-E110 PolarHBondContact O-N 3.08Å; T94-Q113 PolarHBondContact O-NE2 2.81Å; T94-I130 HydrophobicContact CG2-CG2 3.62Å; T94-E131 CarbonylContact C-O 3.56Å; T94-E131 WeakPolarHBondContact CA-O 3.01Å; T94-E131 VanDerWaalsContact CB-O 3.23Å; T94-E131 WeakPolarHBondContact CB-O 3.43Å; T94-T143 WeakPolarHBondContact CB-OG1 3.45Å; T94-T143 HydrophobicContact CG2-CG2 4.17Å; T94-T143 WeakPolarHBondContact CG2-OG1 3.14Å; T94-T143 WeakPolarHBondContact OG1-CB 3.48Å; T94-T143 WeakPolarHBondContact OG1-CG2 3.22Å; T94-T143 PolarHBondContact OG1-OG1 3.47Å |
| 95 | N | 97.6 | Very high | 95.2 | Very high | 32 Ų | 32 | 60.9 Ų | 60.9 | 17% | 0.171 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 143.8 | 159.7 | -67.6 | -49.3 | 0 | 0 | 0 | 109.7 | Y97 L106 R109 E110 I130 E131 | N95-Y97 HydrophobicContact CB-CD2 4.34Å; N95-Y97 HydrophobicContact CB-CE2 3.51Å; N95-L106 HydrophobicContact CB-CD1 4.47Å; N95-R109 WeakPolarHBondContact OD1-CA 3.42Å; N95-E110 PolarHBondContact OD1-N 2.73Å; N95-I130 WeakPolarHBondContact O-CA 2.87Å; N95-E131 PolarHBondContact N-O 2.88Å; N95-E131 PolarHBondContact O-N 2.87Å |
| 96 | I | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.3 | 179 | -52.9 | 180 | 0 | 0 | 0 | 108.9 | I85 L107 L108 L128 I130 F145 | I85-I96 HydrophobicContact CD1-CD1 4.22Å; I85-I96 HydrophobicContact CD1-CG2 4.32Å; I96-L107 HydrophobicContact CG2-CD2 4.26Å; I96-L107 WeakPolarHBondContact O-CA 3.33Å; I96-L107 WeakPolarHBondContact O-CB 3.1Å; I96-L107 PolarHBondContact O-N 3.48Å; I96-L108 HydrophobicContact CB-CB 4.21Å; I96-L108 HydrophobicContact CD1-CD2 4.34Å; I96-L108 PolarHBondContact N-O 3.12Å; I96-L108 PolarHBondContact O-N 2.84Å; I96-L128 HydrophobicContact CG2-CD2 3.81Å; I96-I130 HydrophobicContact CG1-CG1 4.41Å; I96-I130 HydrophobicContact CG1-CG2 4.5Å; I96-I130 HydrophobicContact CG2-CG1 4.35Å; I96-F145 HydrophobicContact CD1-CD1 4.28Å; I96-F145 HydrophobicContact CD1-CE1 4.45Å |
| 97 | Y | 98 | Very high | 95.2 | Very high | 46 Ų | 46 | 63.7 Ų | 63.7 | 18% | 0.18 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 156.1 | 178.1 | -53.6 | -99.1 | 0 | 0 | 0 | 110.3 | N95 L104 R105 L106 L128 F129 E131 | N95-Y97 HydrophobicContact CB-CD2 4.34Å; N95-Y97 HydrophobicContact CB-CE2 3.51Å; Y97-L104 HydrophobicContact CD1-CB 4.39Å; Y97-R105 CarbonylContact C-O 3.47Å; Y97-R105 VanDerWaalsContact CA-O 3.32Å; Y97-R105 WeakPolarHBondContact CA-O 3.39Å; Y97-L106 HydrophobicContact CD1-CB 3.93Å; Y97-L106 HydrophobicContact CD1-CD1 4.03Å; Y97-L106 HydrophobicContact CE1-CB 4.03Å; Y97-L106 HydrophobicContact CE1-CD1 3.75Å; Y97-L106 HydrophobicContact CE1-CG 4.49Å; Y97-L128 CarbonylContact O-C 3.47Å; Y97-L128 WeakPolarHBondContact O-CA 3.17Å; Y97-F129 AromaticContact CD2-CD1 3.87Å; Y97-F129 HydrophobicContact CD2-CD1 3.87Å; Y97-F129 WeakPolarHBondContact CD2-O 3.31Å; Y97-F129 HydrophobicContact CG-CD1 4.43Å; Y97-F129 PolarHBondContact N-O 3.49Å; Y97-F129 PolarHBondContact O-N 3.15Å; Y97-E131 HydrophobicContact CD2-CB 4.45Å; Y97-E131 HydrophobicContact CE2-CB 3.88Å; Y97-E131 WeakPolarHBondContact CE2-OE2 3.07Å; Y97-E131 PolarHBondContact OH-OE2 2.87Å; Y97-E131 VanDerWaalsContact OH-OE2 3.09Å |
| 98 | L | 97.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.9 | 164 | -69.5 | 165.5 | 0 | 0 | 0 | 108.6 | L104 R105 L107 F121 E125 A127 L128 | L98-L104 CarbonylContact O-C 3.53Å; L98-L104 WeakPolarHBondContact O-CA 3.27Å; L98-R105 PolarHBondContact N-O 3.41Å; L98-R105 PolarHBondContact O-N 2.8Å; L98-L107 HydrophobicContact CD1-CB 4.48Å; L98-L107 HydrophobicContact CD1-CD1 4.11Å; L98-L107 HydrophobicContact CD2-CD2 4.3Å; L98-L107 HydrophobicContact CG-CB 4.21Å; L98-L107 HydrophobicContact CG-CD2 4.26Å; L98-F121 HydrophobicContact CD1-CB 4.06Å; L98-F121 HydrophobicContact CD1-CD2 4.44Å; L98-F121 HydrophobicContact CD1-CG 4.14Å; L98-F121 HydrophobicContact CD2-CB 4.44Å; L98-F121 HydrophobicContact CD2-CD1 3.94Å; L98-F121 HydrophobicContact CD2-CD2 3.39Å; L98-F121 HydrophobicContact CD2-CE1 3.93Å; L98-F121 HydrophobicContact CD2-CE2 3.37Å; L98-F121 HydrophobicContact CD2-CG 3.67Å; L98-F121 HydrophobicContact CD2-CZ 3.65Å; L98-E125 HydrophobicContact CD1-CB 4.44Å; L98-A127 WeakPolarHBondContact CA-O 3.08Å; L98-L128 HydrophobicContact CD2-CD2 3.94Å |
| 99 | D | 96.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 67.3 Ų | 67.3 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 115.9 | 174 | 177.7 | 17 | 0 | 0 | 0 | 110.7 | G102 L104 G126 A127 F129 | D99-G102 WeakPolarHBondContact OD1-CA 3.37Å; D99-G102 PolarHBondContact OD1-N 2.85Å; D99-L104 HydrophobicContact CB-CD2 3.64Å; D99-G126 CarbonylContact O-C 3.44Å; D99-G126 VanDerWaalsContact O-CA 3.29Å; D99-G126 WeakPolarHBondContact O-CA 3.38Å; D99-A127 PolarHBondContact N-O 2.75Å; D99-A127 PolarHBondContact O-N 2.94Å; D99-F129 HydrophobicContact CB-CB 3.99Å |
| 100 | R | 94.8 | Very high | 95.4 | Very high | 148 Ų | 148 | 61.9 Ų | 61.9 | 56% | 0.558 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 103.9 | 170 | -165.6 | 174 | 174.7 | -168.4 | -2.6 | 110.5 | G102 K103 E125 | R100-G102 VanDerWaalsContact C-N 3.26Å; R100-G102 PolarHBondContact O-N 2.73Å; R100-K103 PolarHBondContact N-O 3Å; R100-K103 WeakPolarHBondContact O-CB 3.31Å; R100-K103 PolarHBondContact O-N 3.37Å; R100-K103 VanDerWaalsContact O-N 3.07Å; R100-E125 WeakPolarHBondContact CB-O 3.41Å |
| 101 | N | 89.4 | Confident | 95.4 | Very high | 161 Ų | 161 | 61.6 Ų | 61.6 | 86% | 0.861 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 41.5 | 178.4 | -54.9 | -17.2 | 0 | 0 | 0 | 112.1 | K103 | N101-K103 VanDerWaalsContact C-N 3.29Å; N101-K103 PolarHBondContact O-N 3.37Å |
| 102 | G | 88.6 | Confident | 95.4 | Very high | 60 Ų | 60 | 64.1 Ų | 64.1 | 62% | 0.619 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 0.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D99 R100 | D99-G102 WeakPolarHBondContact OD1-CA 3.37Å; D99-G102 PolarHBondContact OD1-N 2.85Å; R100-G102 VanDerWaalsContact C-N 3.26Å; R100-G102 PolarHBondContact O-N 2.73Å |
| 103 | K | 94.4 | Very high | 95.3 | Very high | 170 Ų | 170 | 61.8 Ų | 61.8 | 74% | 0.739 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 113.5 | 173.1 | -64.3 | -175.4 | 179 | -176.6 | 0 | 109.4 | R100 N101 | R100-K103 PolarHBondContact N-O 3Å; R100-K103 WeakPolarHBondContact O-CB 3.31Å; R100-K103 PolarHBondContact O-N 3.37Å; R100-K103 VanDerWaalsContact O-N 3.07Å; N101-K103 VanDerWaalsContact C-N 3.29Å; N101-K103 PolarHBondContact O-N 3.37Å |
| 104 | L | 96.5 | Very high | 95.2 | Very high | 86 Ų | 86 | 64.6 Ų | 64.6 | 45% | 0.45 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 129.7 | -179.9 | -57.7 | -177.6 | 0 | 0 | 0 | 111.3 | Y97 L98 D99 F129 | Y97-L104 HydrophobicContact CD1-CB 4.39Å; L98-L104 CarbonylContact O-C 3.53Å; L98-L104 WeakPolarHBondContact O-CA 3.27Å; D99-L104 HydrophobicContact CB-CD2 3.64Å; L104-F129 HydrophobicContact CD1-CD1 3.78Å; L104-F129 HydrophobicContact CD1-CE1 3.83Å; L104-F129 HydrophobicContact CD1-CG 4.31Å; L104-F129 HydrophobicContact CD1-CZ 4.43Å; L104-F129 HydrophobicContact CD2-CB 3.74Å; L104-F129 HydrophobicContact CD2-CD1 4.02Å; L104-F129 HydrophobicContact CD2-CD2 4.36Å; L104-F129 HydrophobicContact CD2-CG 3.8Å |
| 105 | R | 96.8 | Very high | 95 | Very high | 123 Ų | 123 | 69.6 Ų | 69.6 | 46% | 0.464 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121.5 | 168.4 | -179.9 | 175.3 | 73.1 | 81.2 | -16.2 | 108.9 | Y97 L98 L107 E125 | Y97-R105 CarbonylContact C-O 3.47Å; Y97-R105 VanDerWaalsContact CA-O 3.32Å; Y97-R105 WeakPolarHBondContact CA-O 3.39Å; L98-R105 PolarHBondContact N-O 3.41Å; L98-R105 PolarHBondContact O-N 2.8Å; R105-L107 PolarHBondContact O-N 3.49Å; R105-E125 IonicContact CZ-OE1 3.44Å; R105-E125 IonicContact NE-OE1 3.62Å; R105-E125 IonicContact NH2-OE1 3.45Å; R105-E125 PolarHBondContact NH2-OE1 2.04Å |
| 106 | L | 97.2 | Very high | 94.7 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 127.2 | 176.2 | 179 | 67.8 | 0 | 0 | 0 | 110.5 | N95 Y97 R109 | N95-L106 HydrophobicContact CB-CD1 4.47Å; Y97-L106 HydrophobicContact CD1-CB 3.93Å; Y97-L106 HydrophobicContact CD1-CD1 4.03Å; Y97-L106 HydrophobicContact CE1-CB 4.03Å; Y97-L106 HydrophobicContact CE1-CD1 3.75Å; Y97-L106 HydrophobicContact CE1-CG 4.49Å; L106-R109 HydrophobicContact CD1-CG 4.08Å; L106-R109 HydrophobicContact CD2-CG 3.61Å; L106-R109 HydrophobicContact CG-CG 4.26Å |
| 107 | L | 96.6 | Very high | 94.4 | Very high | 30 Ų | 30 | 72.3 Ų | 72.3 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -46.5 | 175.4 | 179.2 | 63.8 | 0 | 0 | 0 | 110.7 | I85 I96 L98 R105 H119 F121 L128 | I85-L107 HydrophobicContact CD1-CD2 3.77Å; I85-L107 HydrophobicContact CG1-CD2 4.47Å; I96-L107 HydrophobicContact CG2-CD2 4.26Å; I96-L107 WeakPolarHBondContact O-CA 3.33Å; I96-L107 WeakPolarHBondContact O-CB 3.1Å; I96-L107 PolarHBondContact O-N 3.48Å; L98-L107 HydrophobicContact CD1-CB 4.48Å; L98-L107 HydrophobicContact CD1-CD1 4.11Å; L98-L107 HydrophobicContact CD2-CD2 4.3Å; L98-L107 HydrophobicContact CG-CB 4.21Å; L98-L107 HydrophobicContact CG-CD2 4.26Å; R105-L107 PolarHBondContact O-N 3.49Å; L107-H119 HydrophobicContact CD1-CB 4.44Å; L107-F121 HydrophobicContact CD1-CD1 4.42Å; L107-F121 HydrophobicContact CD2-CD1 3.82Å; L107-F121 HydrophobicContact CD2-CE1 3.77Å; L107-L128 HydrophobicContact CD2-CD2 3.77Å |
| 108 | L | 96.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 73.2 Ų | 73.2 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 131 | -175.7 | -167.8 | 63.9 | 0 | 0 | 0 | 110.8 | P87 I96 D112 Q113 H119 | P87-L108 HydrophobicContact CB-CD2 4.24Å; P87-L108 HydrophobicContact CG-CD2 3.87Å; I96-L108 HydrophobicContact CB-CB 4.21Å; I96-L108 HydrophobicContact CD1-CD2 4.34Å; I96-L108 PolarHBondContact N-O 3.12Å; I96-L108 PolarHBondContact O-N 2.84Å; L108-D112 HydrophobicContact CD1-CB 3.74Å; L108-Q113 HydrophobicContact CD2-CB 4.29Å; L108-Q113 HydrophobicContact CD2-CG 3.68Å; L108-Q113 HydrophobicContact CG-CG 3.9Å; L108-H119 WeakPolarHBondContact CD1-NE2 3.43Å |
| 109 | R | 96.9 | Very high | 93.9 | Very high | 123 Ų | 123 | 75.6 Ų | 75.6 | 46% | 0.464 | 38% | 0.378 | S | S | . | . | trans | -88.7 | 156.4 | 175.2 | -56 | -179.3 | 174.2 | 154.6 | -4.1 | 110.6 | N95 L106 Q111 D112 Q113 | N95-R109 WeakPolarHBondContact OD1-CA 3.42Å; L106-R109 HydrophobicContact CD1-CG 4.08Å; L106-R109 HydrophobicContact CD2-CG 3.61Å; L106-R109 HydrophobicContact CG-CG 4.26Å; R109-Q111 VanDerWaalsContact C-N 3.28Å; R109-Q111 HydrophobicContact CB-CG 4.37Å; R109-Q111 PolarHBondContact O-N 2.82Å; R109-D112 WeakPolarHBondContact CB-OD2 3.31Å; R109-D112 PolarHBondContact O-N 2.95Å; R109-D112 VanDerWaalsContact O-N 3.08Å; R109-Q113 VanDerWaalsContact O-CG 3.25Å; R109-Q113 WeakPolarHBondContact O-CG 3.48Å; R109-Q113 PolarHBondContact O-N 3.41Å | ||
| 110 | E | 94.8 | Very high | 93.8 | Very high | 39 Ų | 39 | 76.7 Ų | 76.7 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -48.1 | -49.4 | 176.4 | -174.7 | -179.1 | -171.5 | 0 | 0 | 112.4 | G93 T94 N95 D112 Q113 V133 R141 | G93-E110 WeakPolarHBondContact CA-OE1 3.49Å; G93-E110 PolarHBondContact N-OE1 3.46Å; T94-E110 WeakPolarHBondContact O-CA 3.48Å; T94-E110 WeakPolarHBondContact O-CB 3.38Å; T94-E110 PolarHBondContact O-N 3.08Å; N95-E110 PolarHBondContact OD1-N 2.73Å; E110-D112 VanDerWaalsContact C-N 3.25Å; E110-D112 PolarHBondContact O-N 3.25Å; E110-Q113 WeakPolarHBondContact O-CB 3.39Å; E110-Q113 WeakPolarHBondContact O-CG 3.37Å; E110-Q113 PolarHBondContact O-N 3.18Å; E110-V133 HydrophobicContact CB-CG2 4.34Å; E110-V133 WeakPolarHBondContact OE2-CG2 3.4Å; E110-R141 IonicContact OE1-NH1 3.72Å; E110-R141 PolarHBondContact OE1-NH1 3.34Å |
| 111 | Q | 93.4 | Very high | 93.7 | Very high | 122 Ų | 122 | 69.9 Ų | 69.9 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66 | -25.7 | -176.1 | 64.5 | -91.2 | 26.5 | 0 | 0 | 114.2 | R109 | R109-Q111 VanDerWaalsContact C-N 3.28Å; R109-Q111 HydrophobicContact CB-CG 4.37Å; R109-Q111 PolarHBondContact O-N 2.82Å |
| 112 | D | 94.4 | Very high | 93.8 | Very high | 55 Ų | 55 | 63.5 Ų | 63.5 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -87.7 | -14.7 | -176.6 | -54.2 | -31.2 | 0 | 0 | 0 | 110.7 | L108 R109 E110 A114 E115 | L108-D112 HydrophobicContact CD1-CB 3.74Å; R109-D112 WeakPolarHBondContact CB-OD2 3.31Å; R109-D112 PolarHBondContact O-N 2.95Å; R109-D112 VanDerWaalsContact O-N 3.08Å; E110-D112 VanDerWaalsContact C-N 3.25Å; E110-D112 PolarHBondContact O-N 3.25Å; D112-A114 VanDerWaalsContact C-N 3.29Å; D112-A114 PolarHBondContact O-N 2.94Å; D112-E115 WeakPolarHBondContact O-CB 3.46Å; D112-E115 PolarHBondContact O-N 3.18Å |
| 113 | Q | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.9 | -32.7 | -178.2 | -55.5 | -158.2 | 25.9 | 0 | 0 | 112.7 | P87 S91 T94 L108 R109 E110 E115 G116 | P87-Q113 HydrophobicContact CB-CB 3.93Å; P87-Q113 HydrophobicContact CG-CB 4.35Å; P87-Q113 VanDerWaalsContact CG-O 3.26Å; P87-Q113 WeakPolarHBondContact CG-O 3.16Å; S91-Q113 PolarHBondContact OG-OE1 2.78Å; T94-Q113 PolarHBondContact O-NE2 2.81Å; L108-Q113 HydrophobicContact CD2-CB 4.29Å; L108-Q113 HydrophobicContact CD2-CG 3.68Å; L108-Q113 HydrophobicContact CG-CG 3.9Å; R109-Q113 VanDerWaalsContact O-CG 3.25Å; R109-Q113 WeakPolarHBondContact O-CG 3.48Å; R109-Q113 PolarHBondContact O-N 3.41Å; E110-Q113 WeakPolarHBondContact O-CB 3.39Å; E110-Q113 WeakPolarHBondContact O-CG 3.37Å; E110-Q113 PolarHBondContact O-N 3.18Å; Q113-E115 PolarHBondContact O-N 2.57Å; Q113-G116 PolarHBondContact O-N 2.93Å |
| 114 | A | 92.4 | Very high | 93.7 | Very high | 58 Ų | 58 | 61.5 Ų | 61.5 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D112 G116 | D112-A114 VanDerWaalsContact C-N 3.29Å; D112-A114 PolarHBondContact O-N 2.94Å; A114-G116 PolarHBondContact O-N 2.87Å |
| 115 | E | 91.8 | Very high | 93.5 | Very high | 106 Ų | 106 | 60.2 Ų | 60.2 | 50% | 0.495 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.4 | 174.1 | -62.7 | -172 | -160.4 | 0 | 0 | 112.1 | D112 Q113 K117 | D112-E115 WeakPolarHBondContact O-CB 3.46Å; D112-E115 PolarHBondContact O-N 3.18Å; Q113-E115 PolarHBondContact O-N 2.57Å; E115-K117 HydrophobicContact CB-CD 4.36Å; E115-K117 HydrophobicContact CB-CG 4.13Å; E115-K117 PolarHBondContact O-N 3.48Å; E115-K117 VanDerWaalsContact OE2-CD 3.28Å; E115-K117 WeakPolarHBondContact OE2-CD 3.28Å; E115-K117 VanDerWaalsContact OE2-CE 3.24Å; E115-K117 WeakPolarHBondContact OE2-CE 3.37Å; E115-K117 IonicContact OE2-NZ 3.37Å; E115-K117 PolarHBondContact OE2-NZ 2.02Å |
| 116 | G | 91 | Very high | 93.3 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | trans | 65 | 20.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K86 Q113 A114 | K86-G116 WeakPolarHBondContact CE-O 3.43Å; K86-G116 WeakPolarHBondContact CG-O 3.44Å; Q113-G116 PolarHBondContact O-N 2.93Å; A114-G116 PolarHBondContact O-N 2.87Å | ||
| 117 | K | 90.9 | Very high | 93.2 | Very high | 81 Ų | 81 | 53.3 Ų | 53.3 | 35% | 0.352 | 27% | 0.274 | S | S | . | . | trans | -75.2 | 148.5 | -179.2 | -74.5 | -178.4 | -178.3 | 154.6 | 0 | 111.5 | P87 E115 H119 | P87-K117 WeakPolarHBondContact CD-O 3.24Å; E115-K117 HydrophobicContact CB-CD 4.36Å; E115-K117 HydrophobicContact CB-CG 4.13Å; E115-K117 PolarHBondContact O-N 3.48Å; E115-K117 VanDerWaalsContact OE2-CD 3.28Å; E115-K117 WeakPolarHBondContact OE2-CD 3.28Å; E115-K117 VanDerWaalsContact OE2-CE 3.24Å; E115-K117 WeakPolarHBondContact OE2-CE 3.37Å; E115-K117 IonicContact OE2-NZ 3.37Å; E115-K117 PolarHBondContact OE2-NZ 2.02Å; K117-H119 PolarHBondContact O-CD2 2.7Å | ||
| 118 | V | 92.2 | Very high | 93.2 | Very high | 65 Ų | 65 | 52 Ų | 52 | 39% | 0.394 | 27% | 0.267 | S | S | . | . | trans | -81.6 | 125.5 | 177.8 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | C84 I85 K86 F252 | C84-V118 HydrophobicContact CB-CG1 3.93Å; I85-V118 WeakPolarHBondContact O-CA 3.44Å; K86-V118 HydrophobicContact CB-CG2 4.15Å; K86-V118 HydrophobicContact CD-CG2 4.07Å; K86-V118 HydrophobicContact CG-CG2 4.05Å; V118-F252 HydrophobicContact CB-CE2 4.3Å; V118-F252 HydrophobicContact CG1-CD2 4.44Å; V118-F252 HydrophobicContact CG1-CE2 3.54Å; V118-F252 HydrophobicContact CG1-CZ 3.92Å; V118-F252 HydrophobicContact CG2-CD2 3.75Å; V118-F252 HydrophobicContact CG2-CE2 3.69Å; V118-F252 HydrophobicContact CG2-CZ 4.47Å | ||
| 119 | H | 93.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 53 Ų | 53 | 24% | 0.241 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.3 | 175.2 | -65.4 | -89.6 | 0 | 0 | 0 | 110 | C84 I85 L107 L108 K117 | C84-H119 CarbonylContact C-O 3.57Å; C84-H119 VanDerWaalsContact CA-O 3.31Å; C84-H119 WeakPolarHBondContact CA-O 3.48Å; I85-H119 HydrophobicContact CG1-CB 4.2Å; I85-H119 PolarHBondContact N-O 3.46Å; I85-H119 PolarHBondContact O-N 3.37Å; L107-H119 HydrophobicContact CD1-CB 4.44Å; L108-H119 WeakPolarHBondContact CD1-NE2 3.43Å; K117-H119 PolarHBondContact O-CD2 2.7Å |
| 120 | C | 93.6 | Very high | 93.3 | Very high | 53 Ų | 53 | 47.1 Ų | 47.1 | 36% | 0.358 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140.1 | -179.3 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | V83 C84 | V83-C120 CarbonylContact O-C 3.57Å; V83-C120 VanDerWaalsContact O-CA 3.22Å; V83-C120 WeakPolarHBondContact O-CA 3.44Å; C84-C120 HydrophobicContact CB-CB 4.13Å; C84-C120 WeakPolarHBondContact CB-SG 3.46Å; C84-C120 WeakPolarHBondContact SG-CB 3.43Å; C84-C120 CovalentContact SG-SG 2.04Å; C84-C120 PolarHBondContact SG-SG 2.8Å |
| 121 | F | 92.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155.8 | 175.9 | 56.5 | -87.2 | 0 | 0 | 0 | 109.8 | S82 V83 L98 L107 E125 L128 | S82-F121 CarbonylContact C-O 3.53Å; S82-F121 WeakPolarHBondContact CA-O 3.34Å; V83-F121 HydrophobicContact CB-CD1 4.44Å; V83-F121 HydrophobicContact CB-CD2 4.13Å; V83-F121 HydrophobicContact CB-CE1 3.96Å; V83-F121 HydrophobicContact CB-CE2 3.62Å; V83-F121 HydrophobicContact CB-CZ 3.53Å; V83-F121 HydrophobicContact CG1-CE1 3.85Å; V83-F121 HydrophobicContact CG1-CE2 4.06Å; V83-F121 HydrophobicContact CG1-CZ 3.46Å; V83-F121 VanDerWaalsContact CG1-CZ 3.46Å; V83-F121 HydrophobicContact CG2-CE2 3.91Å; V83-F121 HydrophobicContact CG2-CZ 4.19Å; V83-F121 PolarHBondContact N-O 2.98Å; V83-F121 PolarHBondContact O-N 2.85Å; L98-F121 HydrophobicContact CD1-CB 4.06Å; L98-F121 HydrophobicContact CD1-CD2 4.44Å; L98-F121 HydrophobicContact CD1-CG 4.14Å; L98-F121 HydrophobicContact CD2-CB 4.44Å; L98-F121 HydrophobicContact CD2-CD1 3.94Å; L98-F121 HydrophobicContact CD2-CD2 3.39Å; L98-F121 HydrophobicContact CD2-CE1 3.93Å; L98-F121 HydrophobicContact CD2-CE2 3.37Å; L98-F121 HydrophobicContact CD2-CG 3.67Å; L98-F121 HydrophobicContact CD2-CZ 3.65Å; L107-F121 HydrophobicContact CD1-CD1 4.42Å; L107-F121 HydrophobicContact CD2-CD1 3.82Å; L107-F121 HydrophobicContact CD2-CE1 3.77Å; F121-E125 WeakPolarHBondContact CA-OE2 3.39Å; F121-E125 WeakPolarHBondContact CB-OE2 3.24Å; F121-E125 HydrophobicContact CD2-CB 4.38Å; F121-L128 HydrophobicContact CE1-CD2 3.76Å; F121-L128 HydrophobicContact CZ-CD1 4.44Å; F121-L128 HydrophobicContact CZ-CD2 3.56Å; F121-L128 HydrophobicContact CZ-CG 3.97Å |
| 122 | S | 91.8 | Very high | 93.4 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 140.6 | 176.2 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | R124 E125 | S122-R124 PolarHBondContact O-N 2.8Å; S122-R124 PolarHBondContact OG-N 3.41Å; S122-E125 PolarHBondContact N-OE2 3.18Å; S122-E125 VanDerWaalsContact O-CB 3.3Å; S122-E125 WeakPolarHBondContact O-CB 3.07Å; S122-E125 PolarHBondContact O-N 3Å |
| 123 | I | 90.9 | Very high | 93.3 | Very high | 33 Ų | 33 | 43 Ų | 43 | 17% | 0.169 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -57.5 | -19 | 175.4 | -160.7 | 167.8 | 0 | 0 | 0 | 113 | A78 L81 V83 E125 | A78-I123 WeakPolarHBondContact O-CG2 3.38Å; L81-I123 HydrophobicContact CB-CG2 4.35Å; L81-I123 WeakPolarHBondContact O-CB 3.31Å; L81-I123 VanDerWaalsContact O-CG2 3.24Å; L81-I123 WeakPolarHBondContact O-CG2 3.31Å; L81-I123 PolarHBondContact O-N 2.91Å; V83-I123 HydrophobicContact CG2-CB 4.26Å; V83-I123 HydrophobicContact CG2-CG1 4.13Å; I123-E125 VanDerWaalsContact C-N 3.27Å; I123-E125 PolarHBondContact O-N 2.84Å |
| 124 | R | 90.2 | Very high | 93.1 | Very high | 154 Ų | 154 | 49 Ų | 49 | 58% | 0.581 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -76.9 | -13.3 | 175.9 | -57.6 | -173.4 | -170.7 | -151.8 | 2.3 | 113.6 | A79 S122 G126 | A79-R124 PolarHBondContact O-NE 3.27Å; A79-R124 PolarHBondContact O-NH2 3.28Å; S122-R124 PolarHBondContact O-N 2.8Å; S122-R124 PolarHBondContact OG-N 3.41Å; R124-G126 PolarHBondContact O-N 3.12Å |
| 125 | E | 91.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 49.9 Ų | 49.9 | 28% | 0.28 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -76.1 | -12.1 | 178.5 | -66.4 | -176.8 | 76.2 | 0 | 0 | 112.7 | L98 R100 R105 F121 S122 I123 | L98-E125 HydrophobicContact CD1-CB 4.44Å; R100-E125 WeakPolarHBondContact CB-O 3.41Å; R105-E125 IonicContact CZ-OE1 3.44Å; R105-E125 IonicContact NE-OE1 3.62Å; R105-E125 IonicContact NH2-OE1 3.45Å; R105-E125 PolarHBondContact NH2-OE1 2.04Å; F121-E125 WeakPolarHBondContact CA-OE2 3.39Å; F121-E125 WeakPolarHBondContact CB-OE2 3.24Å; F121-E125 HydrophobicContact CD2-CB 4.38Å; S122-E125 PolarHBondContact N-OE2 3.18Å; S122-E125 VanDerWaalsContact O-CB 3.3Å; S122-E125 WeakPolarHBondContact O-CB 3.07Å; S122-E125 PolarHBondContact O-N 3Å; I123-E125 VanDerWaalsContact C-N 3.27Å; I123-E125 PolarHBondContact O-N 2.84Å |
| 126 | G | 92.1 | Very high | 92.1 | Very high | 29 Ų | 29 | 52.2 Ų | 52.2 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | trans | 115.4 | -159.6 | 169 | 0 | 0 | 0 | 0 | 0 | 114.2 | D99 R124 | D99-G126 CarbonylContact O-C 3.44Å; D99-G126 VanDerWaalsContact O-CA 3.29Å; D99-G126 WeakPolarHBondContact O-CA 3.38Å; R124-G126 PolarHBondContact O-N 3.12Å | ||
| 127 | A | 95.5 | Very high | 91.8 | Very high | 14 Ų | 14 | 55.2 Ų | 55.2 | 12% | 0.116 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 166.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | I66 V67 L98 D99 | I66-A127 HydrophobicContact CG2-CB 3.81Å; V67-A127 WeakPolarHBondContact O-CB 3.46Å; L98-A127 WeakPolarHBondContact CA-O 3.08Å; D99-A127 PolarHBondContact N-O 2.75Å; D99-A127 PolarHBondContact O-N 2.94Å |
| 128 | L | 97.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 123.7 | 169.3 | -64 | 170.1 | 0 | 0 | 0 | 108.9 | I66 V67 L69 I85 I96 Y97 L98 L107 F121 I130 F145 | I66-L128 CarbonylContact C-O 3.54Å; I66-L128 WeakPolarHBondContact CA-O 3.43Å; V67-L128 HydrophobicContact CB-CB 4.21Å; V67-L128 PolarHBondContact N-O 3.24Å; V67-L128 PolarHBondContact O-N 3.01Å; L69-L128 HydrophobicContact CD1-CD1 3.76Å; I85-L128 HydrophobicContact CD1-CD2 4.5Å; I85-L128 HydrophobicContact CG2-CD1 4.02Å; I96-L128 HydrophobicContact CG2-CD2 3.81Å; Y97-L128 CarbonylContact O-C 3.47Å; Y97-L128 WeakPolarHBondContact O-CA 3.17Å; L98-L128 HydrophobicContact CD2-CD2 3.94Å; L107-L128 HydrophobicContact CD2-CD2 3.77Å; F121-L128 HydrophobicContact CE1-CD2 3.76Å; F121-L128 HydrophobicContact CZ-CD1 4.44Å; F121-L128 HydrophobicContact CZ-CD2 3.56Å; F121-L128 HydrophobicContact CZ-CG 3.97Å; L128-I130 HydrophobicContact CB-CG1 4.42Å; L128-F145 HydrophobicContact CD1-CE2 4.06Å; L128-F145 HydrophobicContact CD1-CZ 3.8Å |
| 129 | F | 97.4 | Very high | 91.3 | Very high | 27 Ų | 27 | 58.5 Ų | 58.5 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.6 | 167.2 | 178.5 | -90.7 | 0 | 0 | 0 | 108 | V44 A64 I66 Y97 D99 L104 E131 | V44-F129 HydrophobicContact CG1-CE2 4.14Å; A64-F129 HydrophobicContact CB-CE1 4.02Å; A64-F129 HydrophobicContact CB-CE2 3.67Å; A64-F129 HydrophobicContact CB-CZ 3.37Å; I66-F129 HydrophobicContact CD1-CD2 4.01Å; I66-F129 HydrophobicContact CG1-CB 4.49Å; I66-F129 HydrophobicContact CG1-CD2 3.59Å; I66-F129 HydrophobicContact CG1-CE2 4.34Å; Y97-F129 AromaticContact CD2-CD1 3.87Å; Y97-F129 HydrophobicContact CD2-CD1 3.87Å; Y97-F129 WeakPolarHBondContact CD2-O 3.31Å; Y97-F129 HydrophobicContact CG-CD1 4.43Å; Y97-F129 PolarHBondContact N-O 3.49Å; Y97-F129 PolarHBondContact O-N 3.15Å; D99-F129 HydrophobicContact CB-CB 3.99Å; L104-F129 HydrophobicContact CD1-CD1 3.78Å; L104-F129 HydrophobicContact CD1-CE1 3.83Å; L104-F129 HydrophobicContact CD1-CG 4.31Å; L104-F129 HydrophobicContact CD1-CZ 4.43Å; L104-F129 HydrophobicContact CD2-CB 3.74Å; L104-F129 HydrophobicContact CD2-CD1 4.02Å; L104-F129 HydrophobicContact CD2-CD2 4.36Å; L104-F129 HydrophobicContact CD2-CG 3.8Å; F129-E131 HydrophobicContact CD1-CB 4.38Å; F129-E131 HydrophobicContact CE1-CB 3.84Å; F129-E131 HydrophobicContact CE1-CG 4.33Å |
| 130 | I | 97.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 115.7 | -175 | -55.4 | 171.2 | 0 | 0 | 0 | 107.5 | L56 W58 A64 I65 V67 T94 N95 I96 L128 T143 F145 | L56-I130 HydrophobicContact CD1-CD1 4.17Å; L56-I130 HydrophobicContact CD2-CD1 4.4Å; W58-I130 HydrophobicContact CE3-CG2 4.1Å; W58-I130 HydrophobicContact CZ3-CG2 4.06Å; A64-I130 CarbonylContact C-O 3.53Å; A64-I130 WeakPolarHBondContact CA-O 3.38Å; A64-I130 WeakPolarHBondContact CB-O 3.09Å; I65-I130 HydrophobicContact CD1-CD1 4.18Å; I65-I130 HydrophobicContact CG1-CB 3.87Å; I65-I130 HydrophobicContact CG1-CD1 4.21Å; I65-I130 HydrophobicContact CG1-CG1 4.44Å; I65-I130 PolarHBondContact N-O 2.85Å; I65-I130 PolarHBondContact O-N 3.09Å; V67-I130 HydrophobicContact CG2-CD1 3.71Å; T94-I130 HydrophobicContact CG2-CG2 3.62Å; N95-I130 WeakPolarHBondContact O-CA 2.87Å; I96-I130 HydrophobicContact CG1-CG1 4.41Å; I96-I130 HydrophobicContact CG1-CG2 4.5Å; I96-I130 HydrophobicContact CG2-CG1 4.35Å; L128-I130 HydrophobicContact CB-CG1 4.42Å; I130-T143 HydrophobicContact CG2-CG2 4.22Å; I130-F145 HydrophobicContact CD1-CE1 3.61Å; I130-F145 HydrophobicContact CD1-CZ 4.04Å |
| 131 | E | 95.7 | Very high | 91.1 | Very high | 78 Ų | 78 | 64 Ų | 64 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.6 | -174.3 | -172.8 | -178.9 | -147.7 | 0 | 0 | 110.1 | T94 N95 Y97 F129 | T94-E131 CarbonylContact C-O 3.56Å; T94-E131 WeakPolarHBondContact CA-O 3.01Å; T94-E131 VanDerWaalsContact CB-O 3.23Å; T94-E131 WeakPolarHBondContact CB-O 3.43Å; N95-E131 PolarHBondContact N-O 2.88Å; N95-E131 PolarHBondContact O-N 2.87Å; Y97-E131 HydrophobicContact CD2-CB 4.45Å; Y97-E131 HydrophobicContact CE2-CB 3.88Å; Y97-E131 WeakPolarHBondContact CE2-OE2 3.07Å; Y97-E131 PolarHBondContact OH-OE2 2.87Å; Y97-E131 VanDerWaalsContact OH-OE2 3.09Å; F129-E131 HydrophobicContact CD1-CB 4.38Å; F129-E131 HydrophobicContact CE1-CB 3.84Å; F129-E131 HydrophobicContact CE1-CG 4.33Å |
| 132 | A | 94.5 | Very high | 91.3 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 133.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | W58 P61 G63 G93 | W58-A132 HydrophobicContact CH2-CB 4.48Å; P61-A132 HydrophobicContact CB-CB 4.03Å; P61-A132 WeakPolarHBondContact O-CB 3.44Å; G63-A132 WeakPolarHBondContact O-CB 3.19Å; G63-A132 PolarHBondContact O-N 3.19Å; G93-A132 CarbonylContact O-C 3.31Å; G93-A132 WeakPolarHBondContact O-CA 3.4Å |
| 133 | V | 93.7 | Very high | 91.5 | Very high | 35 Ų | 35 | 64.3 Ų | 64.3 | 21% | 0.212 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 126.7 | 173.2 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | G93 E110 H135 | G93-V133 PolarHBondContact O-N 2.78Å; E110-V133 HydrophobicContact CB-CG2 4.34Å; E110-V133 WeakPolarHBondContact OE2-CG2 3.4Å; V133-H135 PolarHBondContact O-N 2.63Å; V133-H135 PolarHBondContact O-ND1 2.79Å |
| 134 | P | 87.7 | Confident | 91.8 | Very high | 128 Ų | 128 | 63.6 Ų | 63.6 | 83% | 0.831 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 129.9 | 177.1 | -24 | 33.4 | 0 | 0 | 0 | 111.1 | ||
| 135 | H | 82.4 | Confident | 92.2 | Very high | 75 Ų | 75 | 56.5 Ų | 56.5 | 35% | 0.347 | 31% | 0.306 | S | S | . | . | trans | -141.6 | 153.9 | 178.1 | 59.9 | -75 | 0 | 0 | 0 | 109.7 | V133 D137 | V133-H135 PolarHBondContact O-N 2.63Å; V133-H135 PolarHBondContact O-ND1 2.79Å; H135-D137 PolarHBondContact CD2-O 2.87Å; H135-D137 IonicContact CD2-OD1 2.82Å; H135-D137 PolarHBondContact CD2-OD1 2.86Å; H135-D137 IonicContact CG-OD1 2.72Å | ||
| 136 | T | 81.3 | Confident | 92.4 | Very high | 155 Ų | 155 | 57.7 Ų | 57.7 | 95% | 0.951 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -106.3 | -5.7 | -175.9 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 137 | D | 85.1 | Confident | 92.6 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -94.9 | 165.3 | 179.2 | 63.1 | -12.9 | 0 | 0 | 0 | 111.8 | H135 S139 R141 | H135-D137 PolarHBondContact CD2-O 2.87Å; H135-D137 IonicContact CD2-OD1 2.82Å; H135-D137 PolarHBondContact CD2-OD1 2.86Å; H135-D137 IonicContact CG-OD1 2.72Å; D137-S139 VanDerWaalsContact C-N 3.27Å; D137-S139 PolarHBondContact OD1-OG 3.19Å; D137-S139 WeakPolarHBondContact OD2-CB 3.3Å; D137-S139 PolarHBondContact OD2-OG 2.88Å; D137-R141 IonicContact OD1-NH2 3.47Å; D137-R141 IonicContact OD2-NH2 3.84Å |
| 138 | I | 83.1 | Confident | 92.5 | Very high | 176 Ų | 176 | 56.5 Ų | 56.5 | 90% | 0.903 | 30% | 0.295 | S | S | * | . | trans | -97.1 | 23.6 | 173.8 | 59 | 169.1 | 0 | 0 | 0 | 111.3 | ||||
| 139 | S | 88.5 | Confident | 92.2 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | trans | -65.9 | 144.3 | -174.8 | 61 | 0 | 0 | 0 | 0 | 110.6 | D137 R141 | D137-S139 VanDerWaalsContact C-N 3.27Å; D137-S139 PolarHBondContact OD1-OG 3.19Å; D137-S139 WeakPolarHBondContact OD2-CB 3.3Å; D137-S139 PolarHBondContact OD2-OG 2.88Å; S139-R141 PolarHBondContact O-N 3.24Å; S139-R141 PolarHBondContact OG-NE 3.41Å | ||
| 140 | R | 91.6 | Very high | 91.8 | Very high | 168 Ų | 168 | 56.9 Ų | 56.9 | 63% | 0.634 | 30% | 0.299 | S | S | * | . | trans | -70.3 | 115.2 | 175.3 | -178 | -180 | 179.1 | -162.9 | -4 | 108.7 | Y60 I142 | Y60-R140 HydrophobicContact CE1-CB 4.16Å; Y60-R140 HydrophobicContact CE1-CG 4.19Å; R140-I142 HydrophobicContact CG-CG1 4.35Å | ||
| 141 | R | 93.4 | Very high | 91.3 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 20% | 0.204 | 31% | 0.312 | C | S | . | . | trans | -117.1 | 141.6 | 172.8 | -66 | 176.7 | -175.6 | -93.1 | -4.4 | 109.7 | Y60 P61 E110 D137 S139 | Y60-R141 PolarHBondContact N-O 3.33Å; P61-R141 HydrophobicContact CG-CB 4.45Å; E110-R141 IonicContact OE1-NH1 3.72Å; E110-R141 PolarHBondContact OE1-NH1 3.34Å; D137-R141 IonicContact OD1-NH2 3.47Å; D137-R141 IonicContact OD2-NH2 3.84Å; S139-R141 PolarHBondContact O-N 3.24Å; S139-R141 PolarHBondContact OG-NE 3.41Å | ||
| 142 | I | 95.8 | Very high | 90.4 | Very high | 37 Ų | 37 | 57.2 Ų | 57.2 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 119.3 | -179.2 | -50.6 | -179.7 | 0 | 0 | 0 | 106.8 | E57 W58 L59 S91 T92 R140 A144 | E57-I142 HydrophobicContact CG-CG2 3.76Å; W58-I142 WeakPolarHBondContact O-CA 3.12Å; L59-I142 HydrophobicContact CD2-CB 4.46Å; L59-I142 HydrophobicContact CD2-CD1 3.81Å; L59-I142 HydrophobicContact CD2-CG1 3.77Å; L59-I142 HydrophobicContact CD2-CG2 4.03Å; S91-I142 CarbonylContact C-O 3.52Å; S91-I142 VanDerWaalsContact CA-O 3.28Å; S91-I142 WeakPolarHBondContact CA-O 3.04Å; T92-I142 PolarHBondContact N-O 3.48Å; T92-I142 CarbonylContact O-C 3.59Å; T92-I142 VanDerWaalsContact O-C 3.31Å; R140-I142 HydrophobicContact CG-CG1 4.35Å; I142-A144 HydrophobicContact CG2-CB 4.23Å |
| 143 | T | 97 | Very high | 89.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.7 | 166.6 | -67.4 | 0 | 0 | 0 | 0 | 108.2 | W58 S91 T92 T94 I130 | W58-T143 PolarHBondContact N-O 3.16Å; W58-T143 PolarHBondContact O-N 2.82Å; S91-T143 WeakPolarHBondContact OG-CA 3.22Å; T92-T143 PolarHBondContact O-N 2.72Å; T92-T143 PolarHBondContact O-OG1 3.1Å; T94-T143 WeakPolarHBondContact CB-OG1 3.45Å; T94-T143 HydrophobicContact CG2-CG2 4.17Å; T94-T143 WeakPolarHBondContact CG2-OG1 3.14Å; T94-T143 WeakPolarHBondContact OG1-CB 3.48Å; T94-T143 WeakPolarHBondContact OG1-CG2 3.22Å; T94-T143 PolarHBondContact OG1-OG1 3.47Å; I130-T143 HydrophobicContact CG2-CG2 4.22Å |
| 144 | A | 97.2 | Very high | 87.9 | Confident | 19 Ų | 19 | 67.5 Ų | 67.5 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 133.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L56 E57 S88 S91 I142 | L56-A144 WeakPolarHBondContact O-CA 3.44Å; E57-A144 HydrophobicContact CG-CB 4.5Å; S88-A144 PolarHBondContact N-O 2.95Å; S91-A144 WeakPolarHBondContact CB-O 3.47Å; S91-A144 PolarHBondContact OG-N 3.25Å; S91-A144 PolarHBondContact OG-O 2.83Å; I142-A144 HydrophobicContact CG2-CB 4.23Å |
| 145 | F | 97.3 | Very high | 87 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 2% | 0.022 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 157.6 | 172.5 | 63.4 | -95.5 | 0 | 0 | 0 | 111.4 | S55 L56 I85 K86 I96 L128 I130 | S55-F145 CarbonylContact C-O 3.49Å; S55-F145 WeakPolarHBondContact CA-O 3.31Å; L56-F145 HydrophobicContact CB-CD1 4.26Å; L56-F145 HydrophobicContact CB-CD2 4.43Å; L56-F145 HydrophobicContact CB-CE1 3.87Å; L56-F145 HydrophobicContact CB-CE2 4.05Å; L56-F145 HydrophobicContact CB-CZ 3.75Å; L56-F145 HydrophobicContact CD1-CE1 4.05Å; L56-F145 HydrophobicContact CD1-CZ 3.84Å; L56-F145 HydrophobicContact CD2-CD1 4.25Å; L56-F145 HydrophobicContact CD2-CE1 3.75Å; L56-F145 HydrophobicContact CD2-CZ 4.35Å; L56-F145 HydrophobicContact CG-CE1 4.09Å; L56-F145 HydrophobicContact CG-CZ 4.18Å; L56-F145 PolarHBondContact N-O 2.96Å; L56-F145 PolarHBondContact O-N 2.82Å; I85-F145 HydrophobicContact CB-CD2 3.97Å; I85-F145 HydrophobicContact CB-CE2 4.42Å; I85-F145 HydrophobicContact CG2-CD2 3.87Å; I85-F145 HydrophobicContact CG2-CE2 3.83Å; K86-F145 CarbonylContact O-C 3.5Å; K86-F145 VanDerWaalsContact O-CA 3.27Å; K86-F145 WeakPolarHBondContact O-CA 3.33Å; K86-F145 VanDerWaalsContact O-CB 3.31Å; K86-F145 WeakPolarHBondContact O-CB 3.29Å; I96-F145 HydrophobicContact CD1-CD1 4.28Å; I96-F145 HydrophobicContact CD1-CE1 4.45Å; L128-F145 HydrophobicContact CD1-CE2 4.06Å; L128-F145 HydrophobicContact CD1-CZ 3.8Å; I130-F145 HydrophobicContact CD1-CE1 3.61Å; I130-F145 HydrophobicContact CD1-CZ 4.04Å |
| 146 | Q | 96.6 | Very high | 86 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 150.1 | 166.4 | -68.5 | 176.8 | -8.3 | 0 | 0 | 109.5 | G54 I85 K86 F252 | G54-Q146 WeakPolarHBondContact O-CA 3.38Å; I85-Q146 CarbonylContact C-O 3.52Å; I85-Q146 VanDerWaalsContact CA-O 3.26Å; I85-Q146 WeakPolarHBondContact CA-O 3.24Å; K86-Q146 PolarHBondContact N-O 2.96Å; K86-Q146 PolarHBondContact O-N 3.41Å; Q146-F252 HydrophobicContact CB-CD1 3.73Å; Q146-F252 HydrophobicContact CB-CE1 4.3Å; Q146-F252 VanDerWaalsContact OE1-C 3.28Å; Q146-F252 VanDerWaalsContact OE1-CA 3.23Å; Q146-F252 PolarHBondContact OE1-O 3.32Å |
| 147 | Y | 95.5 | Very high | 85 | Confident | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.1 | 173.6 | 75.3 | -87.4 | 0 | 0 | 0 | 111.3 | C28 L49 Q53 G54 L69 C84 | C28-Y147 WeakPolarHBondContact O-CE1 3.47Å; C28-Y147 VanDerWaalsContact O-CZ 3.29Å; C28-Y147 PolarHBondContact O-OH 3.45Å; L49-Y147 HydrophobicContact CB-CE1 4.37Å; L49-Y147 HydrophobicContact CD1-CD1 4.3Å; L49-Y147 HydrophobicContact CD1-CE1 3.59Å; Q53-Y147 CarbonylContact C-O 3.53Å; Q53-Y147 WeakPolarHBondContact CA-O 3.33Å; G54-Y147 VanDerWaalsContact C-CD1 3.46Å; G54-Y147 PolarHBondContact N-O 3.32Å; G54-Y147 WeakPolarHBondContact O-CD1 3.24Å; G54-Y147 PolarHBondContact O-N 2.85Å; L69-Y147 HydrophobicContact CD1-CD2 4.22Å; L69-Y147 HydrophobicContact CD1-CG 4.12Å; L69-Y147 HydrophobicContact CD2-CD1 4.04Å; L69-Y147 HydrophobicContact CD2-CD2 3.84Å; L69-Y147 HydrophobicContact CD2-CE1 4.09Å; L69-Y147 HydrophobicContact CD2-CE2 3.89Å; L69-Y147 HydrophobicContact CD2-CG 3.92Å; C84-Y147 CarbonylContact O-C 3.56Å; C84-Y147 VanDerWaalsContact O-CA 3.26Å; C84-Y147 WeakPolarHBondContact O-CA 3.37Å |
| 148 | E | 94.4 | Very high | 83.8 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 143.8 | 174.4 | -65.4 | -175.9 | 172.2 | 0 | 0 | 110.8 | S52 Q53 C84 R251 F252 | S52-E148 CarbonylContact O-C 3.59Å; S52-E148 WeakPolarHBondContact O-CA 3.4Å; Q53-E148 HydrophobicContact CB-CG 3.87Å; C84-E148 PolarHBondContact N-O 3.49Å; C84-E148 PolarHBondContact O-N 2.66Å; E148-R251 IonicContact OE2-CZ 3.72Å; E148-R251 IonicContact OE2-NE 2.63Å; E148-R251 PolarHBondContact OE2-NE 3.4Å; E148-R251 IonicContact OE2-NH2 2.7Å; E148-R251 PolarHBondContact OE2-NH2 3.07Å; E148-F252 HydrophobicContact CB-CE1 4.25Å; E148-F252 HydrophobicContact CB-CZ 4.11Å; E148-F252 HydrophobicContact CG-CD1 4.19Å; E148-F252 HydrophobicContact CG-CE1 3.87Å; E148-F252 HydrophobicContact CG-CZ 4.11Å; E148-F252 PolarHBondContact OE1-N 2.81Å |
| 149 | L | 91.8 | Very high | 82.6 | Confident | 26 Ų | 26 | 59.8 Ų | 59.8 | 14% | 0.136 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.1 | 171.9 | -57.9 | -175.4 | 0 | 0 | 0 | 109.4 | C51 S52 P71 L81 S82 V83 | C51-L149 WeakPolarHBondContact O-CD1 3.4Å; S52-L149 PolarHBondContact O-N 3.31Å; P71-L149 HydrophobicContact CB-CD1 3.97Å; L81-L149 HydrophobicContact CD1-CD1 4.48Å; S82-L149 WeakPolarHBondContact O-CA 3.19Å; V83-L149 HydrophobicContact CB-CD2 4.32Å; V83-L149 HydrophobicContact CG1-CD2 4.46Å; V83-L149 HydrophobicContact CG2-CD2 3.68Å |
| 150 | V | 88.9 | Confident | 81 | Confident | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.6 | -172.9 | -161.4 | 0 | 0 | 0 | 0 | 109.1 | L81 S82 C84 D152 | L81-V150 CarbonylContact C-O 3.51Å; L81-V150 VanDerWaalsContact CA-O 3.29Å; L81-V150 WeakPolarHBondContact CA-O 3.37Å; S82-V150 PolarHBondContact N-O 3.08Å; S82-V150 PolarHBondContact O-N 3.26Å; C84-V150 HydrophobicContact CB-CG2 4.36Å; V150-D152 PolarHBondContact O-N 3.21Å |
| 151 | S | 85.3 | Confident | 78.8 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 131.5 | 170.9 | 178.3 | 0 | 0 | 0 | 0 | 111 | R153 L154 R155 | S151-R153 PolarHBondContact O-N 3.5Å; S151-R153 PolarHBondContact OG-N 2.86Å; S151-L154 PolarHBondContact O-N 2.96Å; S151-R155 PolarHBondContact O-N 2.87Å |
| 152 | D | 77.9 | Confident | 76.9 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 25% | 0.251 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.5 | -30.6 | 175.6 | -70.6 | -20.8 | 0 | 0 | 0 | 111.8 | R80 S82 V150 R155 A156 | R80-D152 VanDerWaalsContact C-CG 3.46Å; R80-D152 WeakPolarHBondContact CA-OD2 3.46Å; R80-D152 VanDerWaalsContact O-CB 3.29Å; R80-D152 WeakPolarHBondContact O-CB 3.36Å; R80-D152 PolarHBondContact O-N 2.9Å; S82-D152 WeakPolarHBondContact CB-OD1 3.33Å; S82-D152 PolarHBondContact N-OD1 3.32Å; S82-D152 PolarHBondContact OG-OD1 3.48Å; V150-D152 PolarHBondContact O-N 3.21Å; D152-R155 PolarHBondContact O-N 2.85Å; D152-A156 WeakPolarHBondContact O-CB 3.21Å; D152-A156 PolarHBondContact O-N 3.46Å |
| 153 | R | 68.8 | Low | 75.1 | Confident | 157 Ų | 157 | 58.9 Ų | 58.9 | 59% | 0.592 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.7 | -52.5 | 175.9 | -70.4 | -173.8 | 172.5 | -174.2 | -5.1 | 111.7 | S151 R155 A156 E157 | S151-R153 PolarHBondContact O-N 3.5Å; S151-R153 PolarHBondContact OG-N 2.86Å; R153-R155 PolarHBondContact O-N 2.85Å; R153-A156 PolarHBondContact O-N 3.02Å; R153-A156 VanDerWaalsContact O-N 3.1Å; R153-E157 WeakPolarHBondContact O-CB 3.32Å; R153-E157 WeakPolarHBondContact O-CG 3.27Å; R153-E157 PolarHBondContact O-N 2.7Å |
| 154 | L | 66.7 | Low | 73.6 | Confident | 109 Ų | 109 | 60.6 Ų | 60.6 | 57% | 0.571 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.1 | -34.1 | 177.8 | -64.5 | 175.4 | 0 | 0 | 0 | 111 | S151 A158 | S151-L154 PolarHBondContact O-N 2.96Å; L154-A158 VanDerWaalsContact O-CB 3.28Å; L154-A158 WeakPolarHBondContact O-CB 3.16Å; L154-A158 PolarHBondContact O-N 2.79Å |
| 155 | R | 68.2 | Low | 72.7 | Confident | 79 Ų | 79 | 62.1 Ų | 62.1 | 30% | 0.298 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 174 | -164.9 | -176.7 | 95.4 | 171 | 12.8 | 111.9 | S82 S151 D152 R153 A158 Q159 | S82-R155 PolarHBondContact OG-NH1 3.47Å; S151-R155 PolarHBondContact O-N 2.87Å; D152-R155 PolarHBondContact O-N 2.85Å; R153-R155 PolarHBondContact O-N 2.85Å; R155-A158 PolarHBondContact O-N 2.75Å; R155-Q159 WeakPolarHBondContact O-CB 3.47Å; R155-Q159 WeakPolarHBondContact O-CG 3.14Å; R155-Q159 PolarHBondContact O-N 2.85Å |
| 156 | A | 62.5 | Low | 72 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D152 R153 Q159 S160 | D152-A156 WeakPolarHBondContact O-CB 3.21Å; D152-A156 PolarHBondContact O-N 3.46Å; R153-A156 PolarHBondContact O-N 3.02Å; R153-A156 VanDerWaalsContact O-N 3.1Å; A156-Q159 PolarHBondContact O-N 2.85Å; A156-S160 PolarHBondContact O-N 3.45Å; A156-S160 VanDerWaalsContact O-N 3.11Å |
| 157 | E | 59 | Low | 71.5 | Confident | 107 Ų | 107 | 70 Ų | 70 | 50% | 0.5 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 174.9 | -73.1 | 162.4 | -169.9 | 0 | 0 | 111.1 | R153 Q159 S160 A163 | R153-E157 WeakPolarHBondContact O-CB 3.32Å; R153-E157 WeakPolarHBondContact O-CG 3.27Å; R153-E157 PolarHBondContact O-N 2.7Å; E157-Q159 VanDerWaalsContact C-N 3.25Å; E157-Q159 PolarHBondContact O-N 2.8Å; E157-S160 WeakPolarHBondContact O-CB 3.43Å; E157-S160 PolarHBondContact O-N 2.89Å; E157-S160 VanDerWaalsContact O-N 3.16Å; E157-S160 PolarHBondContact O-OG 2.97Å; E157-A163 WeakPolarHBondContact O-CB 3.2Å |
| 158 | A | 60.4 | Low | 71.3 | Confident | 67 Ų | 67 | 71.5 Ų | 71.5 | 55% | 0.554 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.7 | -26.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L154 R155 | L154-A158 VanDerWaalsContact O-CB 3.28Å; L154-A158 WeakPolarHBondContact O-CB 3.16Å; L154-A158 PolarHBondContact O-N 2.79Å; R155-A158 PolarHBondContact O-N 2.75Å |
| 159 | Q | 59 | Low | 71.2 | Confident | 132 Ų | 132 | 73.3 Ų | 73.3 | 62% | 0.617 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -3 | 177.8 | -71.4 | 172.9 | -0.8 | 0 | 0 | 113.3 | R155 A156 E157 | R155-Q159 WeakPolarHBondContact O-CB 3.47Å; R155-Q159 WeakPolarHBondContact O-CG 3.14Å; R155-Q159 PolarHBondContact O-N 2.85Å; A156-Q159 PolarHBondContact O-N 2.85Å; E157-Q159 VanDerWaalsContact C-N 3.25Å; E157-Q159 PolarHBondContact O-N 2.8Å |
| 160 | S | 53.1 | Low | 71.4 | Confident | 44 Ų | 44 | 76.6 Ų | 76.6 | 31% | 0.308 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -74.2 | 136.4 | -179.1 | 70.1 | 0 | 0 | 0 | 0 | 111.5 | A156 E157 G162 A163 P164 | A156-S160 PolarHBondContact O-N 3.45Å; A156-S160 VanDerWaalsContact O-N 3.11Å; E157-S160 WeakPolarHBondContact O-CB 3.43Å; E157-S160 PolarHBondContact O-N 2.89Å; E157-S160 VanDerWaalsContact O-N 3.16Å; E157-S160 PolarHBondContact O-OG 2.97Å; S160-G162 PolarHBondContact O-N 3.1Å; S160-A163 WeakPolarHBondContact OG-CB 3.29Å; S160-P164 WeakPolarHBondContact O-CD 3.43Å |
| 161 | P | 46.2 | Very low | 71.6 | Confident | 140 Ų | 140 | 79.6 Ų | 79.6 | 91% | 0.909 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 88.6 | -179.8 | 28.1 | -33.8 | 0 | 0 | 0 | 110.2 | ||
| 162 | G | 52.7 | Low | 72 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 143.8 | -31.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S160 | S160-G162 PolarHBondContact O-N 3.1Š|
| 163 | A | 58.7 | Low | 72.7 | Confident | 47 Ų | 47 | 81 Ų | 81 | 39% | 0.388 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -62.3 | -34.5 | 180 | 0 | 0 | 0 | 0 | 0 | 116.1 | E157 S160 C165 | E157-A163 WeakPolarHBondContact O-CB 3.2Å; S160-A163 WeakPolarHBondContact OG-CB 3.29Å; A163-C165 PolarHBondContact O-N 3.19Å; A163-C165 VanDerWaalsContact O-N 3.14Å |
| 164 | P | 65.9 | Low | 74 | Confident | 37 Ų | 37 | 74.7 Ų | 74.7 | 24% | 0.24 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -72.1 | -15.5 | -167.4 | -19 | 31.7 | 0 | 0 | 0 | 114.9 | S160 P232 C235 | S160-P164 WeakPolarHBondContact O-CD 3.43Å; P164-P232 HydrophobicContact CB-CB 4.32Å; P164-P232 HydrophobicContact CB-CG 3.84Å; P164-C235 PolarHBondContact O-SG 2.87Å |
| 165 | C | 78.3 | Confident | 75.3 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 34% | 0.338 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -123.8 | 2.6 | -172.7 | -47.1 | 0 | 0 | 0 | 0 | 113.3 | A163 Q234 C235 | A163-C165 PolarHBondContact O-N 3.19Å; A163-C165 VanDerWaalsContact O-N 3.14Å; C165-Q234 VanDerWaalsContact SG-CG 3.5Å; C165-C235 WeakPolarHBondContact CA-SG 3.42Å; C165-C235 HydrophobicContact CB-CB 3.68Å; C165-C235 WeakPolarHBondContact CB-SG 3.13Å; C165-C235 WeakPolarHBondContact SG-CA 3.38Å; C165-C235 WeakPolarHBondContact SG-CB 3.15Å; C165-C235 PolarHBondContact SG-N 2.83Å; C165-C235 CovalentContact SG-SG 2.04Å; C165-C235 PolarHBondContact SG-SG 3.26Å |
| 166 | Q | 82.9 | Confident | 76.6 | Confident | 142 Ų | 142 | 70.5 Ų | 70.5 | 66% | 0.664 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -70.7 | 131.2 | 176.7 | -171.3 | 175.1 | -38.7 | 0 | 0 | 108.8 | C168 | Q166-C168 PolarHBondContact O-N 3.26Š|
| 167 | P | 85.6 | Confident | 78.1 | Confident | 112 Ų | 112 | 68.3 Ų | 68.3 | 73% | 0.727 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 136.5 | 171.9 | -23 | 33.2 | 0 | 0 | 0 | 110.4 | ||
| 168 | C | 90.5 | Very high | 79.8 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 138.3 | 176.4 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | Q166 E172 C259 | Q166-C168 PolarHBondContact O-N 3.26Å; C168-E172 HydrophobicContact CB-CB 4.09Å; C168-C259 HydrophobicContact CB-CB 3.83Å; C168-C259 WeakPolarHBondContact CB-SG 3.35Å; C168-C259 VanDerWaalsContact SG-CA 3.53Å; C168-C259 WeakPolarHBondContact SG-CB 3.47Å; C168-C259 CovalentContact SG-SG 2.02Å; C168-C259 PolarHBondContact SG-SG 2.93Å |
| 169 | S | 93.3 | Very high | 81.4 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 38% | 0.378 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 163.8 | 167.8 | 63.2 | 0 | 0 | 0 | 0 | 111.5 | A171 E172 M173 | S169-A171 VanDerWaalsContact C-N 3.28Å; S169-A171 PolarHBondContact O-N 3.21Å; S169-E172 WeakPolarHBondContact CB-OE2 3.34Å; S169-E172 PolarHBondContact N-OE2 2.78Å; S169-E172 PolarHBondContact O-N 2.87Å; S169-E172 VanDerWaalsContact O-N 3.16Å; S169-E172 WeakPolarHBondContact OG-CB 3.32Å; S169-E172 WeakPolarHBondContact OG-CG 3.43Å; S169-E172 PolarHBondContact OG-N 2.88Å; S169-E172 PolarHBondContact OG-OE2 3.28Å; S169-M173 WeakPolarHBondContact O-CB 3.19Å; S169-M173 PolarHBondContact O-N 2.73Å |
| 170 | D | 94.6 | Very high | 83.1 | Confident | 95 Ų | 95 | 59.9 Ų | 59.9 | 51% | 0.508 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.2 | -41.6 | -179.7 | -61.3 | -14.9 | 0 | 0 | 0 | 112 | M173 L174 L269 | D170-M173 PolarHBondContact O-N 3.43Å; D170-L174 WeakPolarHBondContact O-CG 3.26Å; D170-L174 PolarHBondContact O-N 3.01Å; D170-L269 HydrophobicContact CB-CD1 4.22Å; D170-L269 HydrophobicContact CB-CD2 4.05Å; D170-L269 WeakPolarHBondContact OD1-CD1 3.26Å |
| 171 | A | 93.4 | Very high | 85 | Confident | 74 Ų | 74 | 59 Ų | 59 | 61% | 0.612 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S169 M173 L175 | S169-A171 VanDerWaalsContact C-N 3.28Å; S169-A171 PolarHBondContact O-N 3.21Å; A171-M173 VanDerWaalsContact C-N 3.33Å; A171-L175 WeakPolarHBondContact O-CB 3.34Å; A171-L175 PolarHBondContact O-N 2.83Å |
| 172 | E | 93.3 | Very high | 87.4 | Confident | 101 Ų | 101 | 52.4 Ų | 52.4 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 175.5 | -74.2 | 166.5 | 149 | 0 | 0 | 111.3 | C168 S169 L175 A176 | C168-E172 HydrophobicContact CB-CB 4.09Å; S169-E172 WeakPolarHBondContact CB-OE2 3.34Å; S169-E172 PolarHBondContact N-OE2 2.78Å; S169-E172 PolarHBondContact O-N 2.87Å; S169-E172 VanDerWaalsContact O-N 3.16Å; S169-E172 WeakPolarHBondContact OG-CB 3.32Å; S169-E172 WeakPolarHBondContact OG-CG 3.43Å; S169-E172 PolarHBondContact OG-N 2.88Å; S169-E172 PolarHBondContact OG-OE2 3.28Å; E172-L175 PolarHBondContact O-N 2.76Å; E172-A176 WeakPolarHBondContact O-CB 3.27Å; E172-A176 PolarHBondContact O-N 3.03Å |
| 173 | M | 93.9 | Very high | 89.5 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 6% | 0.064 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 178.1 | -171.2 | -174.3 | -47.9 | 0 | 0 | 111.6 | S169 D170 A171 L175 A176 V177 P261 F266 L269 | S169-M173 WeakPolarHBondContact O-CB 3.19Å; S169-M173 PolarHBondContact O-N 2.73Å; D170-M173 PolarHBondContact O-N 3.43Å; A171-M173 VanDerWaalsContact C-N 3.33Å; M173-L175 VanDerWaalsContact C-N 3.34Å; M173-L175 PolarHBondContact O-N 3.26Å; M173-A176 PolarHBondContact O-N 3.35Å; M173-V177 PolarHBondContact O-N 3.44Å; M173-P261 HydrophobicContact CE-CB 3.61Å; M173-P261 HydrophobicContact CE-CG 3.86Å; M173-P261 HydrophobicContact CG-CG 4.01Å; M173-P261 HydrophobicContact SD-CB 3.92Å; M173-P261 HydrophobicContact SD-CG 3.62Å; M173-F266 HydrophobicContact CG-CD2 4.27Å; M173-F266 HydrophobicContact SD-CB 3.9Å; M173-F266 HydrophobicContact SD-CD2 4.15Å; M173-L269 HydrophobicContact CE-CD1 3.69Å; M173-L269 HydrophobicContact SD-CD1 3.66Å |
| 174 | L | 95.3 | Very high | 91.3 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.8 | -70.6 | 172.3 | 0 | 0 | 0 | 111.5 | D170 C178 Y270 A273 P280 | D170-L174 WeakPolarHBondContact O-CG 3.26Å; D170-L174 PolarHBondContact O-N 3.01Å; L174-C178 PolarHBondContact O-SG 3.07Å; L174-Y270 HydrophobicContact CD2-CD2 4.12Å; L174-A273 HydrophobicContact CD1-CB 3.84Å; L174-A273 HydrophobicContact CD2-CB 4.19Å; L174-P280 HydrophobicContact CB-CG 4Å; L174-P280 VanDerWaalsContact O-CG 3.31Å; L174-P280 WeakPolarHBondContact O-CG 3.43Å |
| 175 | L | 95 | Very high | 92.7 | Very high | 92 Ų | 92 | 48 Ų | 48 | 48% | 0.482 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.8 | -41.4 | 178.9 | -173.2 | 63.6 | 0 | 0 | 0 | 112.2 | A171 E172 M173 V177 C178 T179 P280 | A171-L175 WeakPolarHBondContact O-CB 3.34Å; A171-L175 PolarHBondContact O-N 2.83Å; E172-L175 PolarHBondContact O-N 2.76Å; M173-L175 VanDerWaalsContact C-N 3.34Å; M173-L175 PolarHBondContact O-N 3.26Å; L175-V177 PolarHBondContact O-N 3.07Å; L175-C178 WeakPolarHBondContact O-CA 3.31Å; L175-C178 WeakPolarHBondContact O-CB 3.49Å; L175-C178 PolarHBondContact O-N 3.34Å; L175-T179 HydrophobicContact CD1-CG2 3.78Å; L175-T179 HydrophobicContact CG-CG2 4.06Å; L175-T179 PolarHBondContact O-N 2.9Å; L175-T179 PolarHBondContact O-OG1 3.02Å; L175-T179 VanDerWaalsContact O-OG1 3.08Å; L175-P280 HydrophobicContact CD1-CB 4.49Å |
| 176 | A | 94.2 | Very high | 93.5 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57 | -38.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | E172 M173 C178 T179 N180 T247 | E172-A176 WeakPolarHBondContact O-CB 3.27Å; E172-A176 PolarHBondContact O-N 3.03Å; M173-A176 PolarHBondContact O-N 3.35Å; A176-C178 PolarHBondContact O-N 3.35Å; A176-T179 PolarHBondContact O-N 3.02Å; A176-N180 WeakPolarHBondContact O-CB 3.25Å; A176-N180 VanDerWaalsContact O-CG 3.24Å; A176-N180 PolarHBondContact O-N 3.01Å; A176-T247 HydrophobicContact CB-CG2 4.39Å |
| 177 | V | 95.3 | Very high | 94.1 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -29.8 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 112.6 | M173 L175 V183 L245 T247 F266 V283 | M173-V177 PolarHBondContact O-N 3.44Å; L175-V177 PolarHBondContact O-N 3.07Å; V177-V183 HydrophobicContact CG1-CG1 4.08Å; V177-V183 HydrophobicContact CG2-CG1 4.26Å; V177-V183 WeakPolarHBondContact O-CG2 3.49Å; V177-L245 HydrophobicContact CG2-CD2 3.61Å; V177-T247 HydrophobicContact CG2-CG2 4.15Å; V177-F266 HydrophobicContact CB-CE2 4.5Å; V177-F266 HydrophobicContact CG1-CZ 4.43Å; V177-F266 HydrophobicContact CG2-CD2 4.35Å; V177-F266 HydrophobicContact CG2-CE2 3.68Å; V177-F266 HydrophobicContact CG2-CZ 4.09Å; V177-V283 HydrophobicContact CG1-CB 4.46Å; V177-V283 HydrophobicContact CG1-CG1 4.23Å; V177-V283 HydrophobicContact CG1-CG2 3.4Å |
| 178 | C | 93.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -89.1 | -32.1 | -178.5 | -54.1 | 0 | 0 | 0 | 0 | 112.8 | L174 L175 A176 R209 C281 | L174-C178 PolarHBondContact O-SG 3.07Å; L175-C178 WeakPolarHBondContact O-CA 3.31Å; L175-C178 WeakPolarHBondContact O-CB 3.49Å; L175-C178 PolarHBondContact O-N 3.34Å; A176-C178 PolarHBondContact O-N 3.35Å; C178-R209 PolarHBondContact O-NH1 2.82Å; C178-C281 WeakPolarHBondContact CA-SG 3.29Å; C178-C281 HydrophobicContact CB-CB 3.77Å; C178-C281 WeakPolarHBondContact CB-SG 3.46Å; C178-C281 WeakPolarHBondContact SG-CB 3.49Å; C178-C281 PolarHBondContact SG-N 3.14Å; C178-C281 VanDerWaalsContact SG-N 3.37Å; C178-C281 CovalentContact SG-SG 2.02Å; C178-C281 PolarHBondContact SG-SG 3.36Å |
| 179 | T | 93.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 39.5 Ų | 39.5 | 48% | 0.479 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -106.1 | -24.7 | -168.4 | 58.3 | 0 | 0 | 0 | 0 | 114.5 | L175 A176 | L175-T179 HydrophobicContact CD1-CG2 3.78Å; L175-T179 HydrophobicContact CG-CG2 4.06Å; L175-T179 PolarHBondContact O-N 2.9Å; L175-T179 PolarHBondContact O-OG1 3.02Å; L175-T179 VanDerWaalsContact O-OG1 3.08Å; A176-T179 PolarHBondContact O-N 3.02Å |
| 180 | N | 94.6 | Very high | 94.8 | Very high | 27 Ų | 27 | 41 Ų | 41 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -71.4 | 155.8 | -172.2 | -75 | 11.6 | 0 | 0 | 0 | 112.6 | A176 F182 R209 T247 G248 | A176-N180 WeakPolarHBondContact O-CB 3.25Å; A176-N180 VanDerWaalsContact O-CG 3.24Å; A176-N180 PolarHBondContact O-N 3.01Å; N180-F182 VanDerWaalsContact C-N 3.29Å; N180-F182 PolarHBondContact O-N 3.49Å; N180-R209 WeakPolarHBondContact O-CD 3.26Å; N180-R209 VanDerWaalsContact O-CZ 3.26Å; N180-R209 PolarHBondContact O-NE 2.88Å; N180-R209 PolarHBondContact O-NH2 2.88Å; N180-T247 PolarHBondContact ND2-OG1 2.95Å; N180-G248 WeakPolarHBondContact CB-O 3.23Å; N180-G248 PolarHBondContact ND2-N 2.86Å |
| 181 | D | 94.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 38.6 Ų | 38.6 | 14% | 0.139 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -68.5 | -32.6 | -178 | -68.1 | -44.7 | 0 | 0 | 0 | 111.6 | Q210 K211 G248 T249 V250 | D181-Q210 CarbonylContact O-C 3.56Å; D181-Q210 WeakPolarHBondContact O-CA 3.44Å; D181-K211 HydrophobicContact CB-CB 4.1Å; D181-K211 HydrophobicContact CB-CD 4.41Å; D181-K211 PolarHBondContact O-N 2.83Å; D181-K211 WeakPolarHBondContact OD1-CD 3.47Å; D181-K211 IonicContact OD1-NZ 2.73Å; D181-G248 PolarHBondContact N-O 2.8Å; D181-T249 WeakPolarHBondContact OD2-CA 3.36Å; D181-V250 HydrophobicContact CB-CB 4.27Å; D181-V250 HydrophobicContact CB-CG2 3.92Å; D181-V250 PolarHBondContact OD2-N 2.95Å |
| 182 | F | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.7 | 171.6 | 72.2 | -93.8 | 0 | 0 | 0 | 112.6 | N180 R209 Q210 F215 I229 F246 T247 G248 V250 A255 | N180-F182 VanDerWaalsContact C-N 3.29Å; N180-F182 PolarHBondContact O-N 3.49Å; F182-R209 CarbonylContact C-O 3.53Å; F182-R209 VanDerWaalsContact CA-O 3.24Å; F182-R209 WeakPolarHBondContact CA-O 3.09Å; F182-Q210 HydrophobicContact CB-CB 4.42Å; F182-F215 HydrophobicContact CB-CE2 3.99Å; F182-F215 AromaticContact CD2-CE2 3.66Å; F182-F215 HydrophobicContact CD2-CE2 3.66Å; F182-F215 AromaticContact CD2-CZ 3.8Å; F182-F215 HydrophobicContact CD2-CZ 3.8Å; F182-F215 HydrophobicContact CE2-CE2 4.35Å; F182-F215 HydrophobicContact CE2-CZ 4.03Å; F182-F215 AromaticContact CG-CE2 3.91Å; F182-F215 HydrophobicContact CG-CE2 3.91Å; F182-F215 HydrophobicContact CG-CZ 4.32Å; F182-I229 HydrophobicContact CE2-CD1 4.08Å; F182-I229 HydrophobicContact CZ-CD1 4.35Å; F182-I229 HydrophobicContact CZ-CG2 4.15Å; F182-F246 HydrophobicContact CE2-CB 4.19Å; F182-T247 WeakPolarHBondContact O-CA 3.36Å; F182-G248 VanDerWaalsContact CD1-O 3.31Å; F182-G248 WeakPolarHBondContact CD1-O 3.01Å; F182-G248 VanDerWaalsContact CE1-CA 3.44Å; F182-G248 VanDerWaalsContact CZ-CA 3.48Å; F182-G248 PolarHBondContact N-O 2.87Å; F182-G248 VanDerWaalsContact N-O 3.12Å; F182-G248 PolarHBondContact O-N 2.91Å; F182-G248 VanDerWaalsContact O-N 3.15Å; F182-V250 HydrophobicContact CD1-CG2 4.03Å; F182-A255 HydrophobicContact CD1-CB 4.26Å; F182-A255 HydrophobicContact CE1-CB 3.73Å; F182-A255 HydrophobicContact CZ-CB 4.18Å |
| 183 | V | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 120.5 | 174.7 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | V177 Y208 R209 L245 F246 T247 | V177-V183 HydrophobicContact CG1-CG1 4.08Å; V177-V183 HydrophobicContact CG2-CG1 4.26Å; V177-V183 WeakPolarHBondContact O-CG2 3.49Å; V183-Y208 HydrophobicContact CG1-CD2 3.84Å; V183-Y208 HydrophobicContact CG1-CG 4.22Å; V183-Y208 PolarHBondContact O-N 3.05Å; V183-R209 HydrophobicContact CB-CB 4.23Å; V183-R209 HydrophobicContact CG2-CB 4.39Å; V183-R209 PolarHBondContact N-O 3.17Å; V183-R209 PolarHBondContact O-N 3.28Å; V183-R209 VanDerWaalsContact O-N 3.1Å; V183-L245 HydrophobicContact CG1-CD1 3.92Å; V183-F246 CarbonylContact C-O 3.57Å; V183-F246 WeakPolarHBondContact CA-O 3.5Å; V183-T247 HydrophobicContact CG1-CG2 4.26Å; V183-T247 HydrophobicContact CG2-CG2 4.35Å |
| 184 | A | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 141.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I204 H206 L207 F215 L245 F246 | A184-I204 HydrophobicContact CB-CD1 3.77Å; A184-I204 HydrophobicContact CB-CG1 4.22Å; A184-I204 HydrophobicContact CB-CG2 3.82Å; A184-H206 CarbonylContact C-O 3.53Å; A184-H206 WeakPolarHBondContact CA-O 3.2Å; A184-L207 HydrophobicContact CB-CD1 3.84Å; A184-F215 HydrophobicContact CB-CE2 4.23Å; A184-L245 CarbonylContact O-C 3.57Å; A184-F246 PolarHBondContact N-O 2.96Å; A184-F246 PolarHBondContact O-N 2.82Å |
| 185 | R | 96 | Very high | 93.3 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 15% | 0.151 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 133.8 | 167.4 | 175 | -170.9 | 174.2 | 174.1 | 0.7 | 109.1 | I204 S205 H206 Y208 E243 F244 Y263 D286 | R185-I204 CarbonylContact O-C 3.48Å; R185-I204 WeakPolarHBondContact O-CA 3.5Å; R185-I204 WeakPolarHBondContact O-CG2 3.46Å; R185-S205 PolarHBondContact O-N 3.25Å; R185-S205 PolarHBondContact O-OG 2.86Å; R185-H206 HydrophobicContact CB-CB 4.14Å; R185-H206 PolarHBondContact N-O 2.98Å; R185-H206 PolarHBondContact O-N 2.76Å; R185-Y208 HydrophobicContact CB-CE2 3.95Å; R185-E243 IonicContact CZ-OE1 2.83Å; R185-E243 IonicContact CZ-OE2 3.1Å; R185-E243 VanDerWaalsContact NE-CD 3.34Å; R185-E243 IonicContact NE-OE1 2.87Å; R185-E243 PolarHBondContact NE-OE1 3.03Å; R185-E243 IonicContact NE-OE2 2.66Å; R185-E243 PolarHBondContact NE-OE2 3.26Å; R185-E243 IonicContact NH2-OE1 2.73Å; R185-E243 PolarHBondContact NH2-OE1 2.99Å; R185-E243 IonicContact NH2-OE2 3.16Å; R185-E243 PolarHBondContact NH2-OE2 2.9Å; R185-F244 WeakPolarHBondContact CA-O 3.3Å; R185-Y263 HydrophobicContact CB-CD2 4.33Å; R185-Y263 HydrophobicContact CB-CE2 4.37Å; R185-Y263 HydrophobicContact CG-CD1 4.3Å; R185-Y263 HydrophobicContact CG-CD2 4.02Å; R185-Y263 HydrophobicContact CG-CE2 4.27Å; R185-Y263 HydrophobicContact CG-CG 4.05Å; R185-Y263 VanDerWaalsContact NH1-CE1 3.29Å; R185-D286 IonicContact CZ-OD2 2.7Å; R185-D286 IonicContact NH1-OD2 3.46Å; R185-D286 PolarHBondContact NH1-OD2 2.78Å |
| 186 | G | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.4 | -165.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E203 E243 F244 | G186-E203 CarbonylContact C-O 3.59Å; G186-E203 WeakPolarHBondContact CA-O 3.27Å; G186-E243 WeakPolarHBondContact O-CA 3.4Å; G186-F244 PolarHBondContact N-O 2.86Å; G186-F244 PolarHBondContact O-N 3.2Å |
| 187 | T | 95.6 | Very high | 92.4 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147.8 | -179.4 | 61.5 | 0 | 0 | 0 | 0 | 110.8 | K189 V202 E203 E243 | T187-K189 WeakPolarHBondContact OG1-CE 3.05Å; T187-K189 PolarHBondContact OG1-NZ 2.87Å; T187-V202 VanDerWaalsContact O-CA 3.31Å; T187-V202 WeakPolarHBondContact O-CA 3.44Å; T187-E203 PolarHBondContact N-O 3.36Å; T187-E203 PolarHBondContact O-N 3.3Å; T187-E243 HydrophobicContact CG2-CG 4.15Å |
| 188 | I | 95.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125 | 172.7 | -59.8 | 175.7 | 0 | 0 | 0 | 108.1 | V191 V200 V237 F244 F246 | I188-V191 HydrophobicContact CG2-CG2 3.71Å; I188-V200 HydrophobicContact CD1-CG1 4.4Å; I188-V200 HydrophobicContact CG1-CG1 4.15Å; I188-V200 HydrophobicContact CG2-CG1 3.85Å; I188-V237 HydrophobicContact CD1-CG1 4.26Å; I188-F244 HydrophobicContact CD1-CD2 4.41Å; I188-F244 HydrophobicContact CD1-CE2 4.25Å; I188-F244 HydrophobicContact CG1-CD2 4.29Å; I188-F244 HydrophobicContact CG1-CE2 4.39Å; I188-F246 HydrophobicContact CD1-CE1 4.44Å; I188-F246 HydrophobicContact CG1-CE1 4.01Å; I188-F246 HydrophobicContact CG1-CZ 3.77Å |
| 189 | K | 93.9 | Very high | 92.2 | Very high | 100 Ų | 100 | 48.4 Ų | 48.4 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -58.5 | 176.2 | -62.5 | -58.1 | -177.9 | -175.9 | 0 | 111 | T187 S201 E203 S239 | T187-K189 WeakPolarHBondContact OG1-CE 3.05Å; T187-K189 PolarHBondContact OG1-NZ 2.87Å; K189-S201 PolarHBondContact N-O 3.26Å; K189-E203 HydrophobicContact CD-CB 4.36Å; K189-E203 WeakPolarHBondContact CE-OE2 3.45Å; K189-E203 HydrophobicContact CG-CB 4.14Å; K189-E203 IonicContact NZ-OE2 2.78Å; K189-E203 PolarHBondContact NZ-OE2 3.08Å; K189-S239 PolarHBondContact O-OG 3.11Å |
| 190 | T | 93.1 | Very high | 92.3 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 53% | 0.534 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 148.6 | -176.8 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | S201 | T190-S201 PolarHBondContact N-O 3.33Å; T190-S201 PolarHBondContact O-N 3.25Å; T190-S201 WeakPolarHBondContact OG1-CB 3.47Å |
| 191 | V | 93.1 | Very high | 92.3 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 26% | 0.261 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 121 | 172.1 | -176.5 | 0 | 0 | 0 | 0 | 106.9 | I188 A198 S199 V200 V237 | I188-V191 HydrophobicContact CG2-CG2 3.71Å; V191-A198 HydrophobicContact CG1-CB 4.47Å; V191-S199 WeakPolarHBondContact CA-O 3.36Å; V191-V200 HydrophobicContact CG1-CG2 4.28Å; V191-V200 HydrophobicContact CG2-CG1 4.2Å; V191-V200 HydrophobicContact CG2-CG2 4.34Å; V191-V237 HydrophobicContact CG2-CG1 4.23Å |
| 192 | G | 90 | Very high | 92.4 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S199 | G192-S199 PolarHBondContact N-O 2.81Å; G192-S199 PolarHBondContact O-N 3.31Å |
| 193 | P | 89.1 | Confident | 92.3 | Very high | 113 Ų | 113 | 46.8 Ų | 46.8 | 73% | 0.734 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134.5 | 168.7 | 30.6 | -32.3 | 0 | 0 | 0 | 109.8 | L233 | P193-L233 HydrophobicContact CB-CD2 4.15Å |
| 194 | E | 86.4 | Confident | 92.3 | Very high | 94 Ų | 94 | 46.7 Ų | 46.7 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | trans | -109.5 | -179.2 | 161.5 | -61 | -171.2 | -162.8 | 0 | 0 | 109 | D196 H197 S199 | E194-D196 PolarHBondContact O-N 2.92Å; E194-H197 CarbonylContact C-O 3.54Å; E194-H197 VanDerWaalsContact CA-O 3.31Å; E194-H197 WeakPolarHBondContact CA-O 3.02Å; E194-H197 VanDerWaalsContact CB-O 3.31Å; E194-H197 WeakPolarHBondContact CB-O 3.33Å; E194-H197 PolarHBondContact N-O 2.73Å; E194-H197 IonicContact OE2-CE1 3.94Å; E194-H197 PolarHBondContact OE2-CE1 2.86Å; E194-H197 IonicContact OE2-NE2 3.37Å; E194-H197 PolarHBondContact OE2-NE2 2.92Å; E194-H197 VanDerWaalsContact OE2-NE2 3.16Å; E194-S199 VanDerWaalsContact OE1-CB 3.24Å; E194-S199 WeakPolarHBondContact OE1-CB 3.4Å; E194-S199 PolarHBondContact OE1-OG 2.86Å | ||
| 195 | E | 81.8 | Confident | 92.2 | Very high | 163 Ų | 163 | 49.4 Ų | 49.4 | 76% | 0.762 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -56.4 | -49.4 | -172.5 | -167.3 | 175.4 | 176.4 | 0 | 0 | 112.9 | ||
| 196 | D | 82.9 | Confident | 92.1 | Very high | 109 Ų | 109 | 50.7 Ų | 50.7 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -113.4 | -8.3 | -174.6 | -66.8 | -34.6 | 0 | 0 | 0 | 114.1 | E194 | E194-D196 PolarHBondContact O-N 2.92Š|
| 197 | H | 87.6 | Confident | 92 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 159.8 | -172.4 | 61.9 | -72.7 | 0 | 0 | 0 | 111.5 | E194 K230 M231 L233 W256 | E194-H197 CarbonylContact C-O 3.54Å; E194-H197 VanDerWaalsContact CA-O 3.31Å; E194-H197 WeakPolarHBondContact CA-O 3.02Å; E194-H197 VanDerWaalsContact CB-O 3.31Å; E194-H197 WeakPolarHBondContact CB-O 3.33Å; E194-H197 PolarHBondContact N-O 2.73Å; E194-H197 IonicContact OE2-CE1 3.94Å; E194-H197 PolarHBondContact OE2-CE1 2.86Å; E194-H197 IonicContact OE2-NE2 3.37Å; E194-H197 PolarHBondContact OE2-NE2 2.92Å; E194-H197 VanDerWaalsContact OE2-NE2 3.16Å; H197-K230 VanDerWaalsContact CD2-CG 3.48Å; H197-K230 WeakPolarHBondContact CD2-CG 3.04Å; H197-K230 WeakPolarHBondContact NE2-CD 3.12Å; H197-K230 WeakPolarHBondContact NE2-CE 3.48Å; H197-K230 PolarHBondContact NE2-NZ 3.43Å; H197-M231 CarbonylContact C-O 3.58Å; H197-M231 WeakPolarHBondContact CA-O 3.36Å; H197-M231 WeakPolarHBondContact CB-O 3.1Å; H197-L233 VanDerWaalsContact C-CD2 3.47Å; H197-W256 HydrophobicContact CB-CH2 4.23Å; H197-W256 HydrophobicContact CB-CZ3 4.45Å |
| 198 | A | 90.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 137.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V191 K230 M231 L233 | V191-A198 HydrophobicContact CG1-CB 4.47Å; A198-K230 WeakPolarHBondContact O-CA 3.46Å; A198-M231 PolarHBondContact N-O 2.66Å; A198-M231 PolarHBondContact O-N 2.87Å; A198-L233 HydrophobicContact CB-CD2 4.27Å |
| 199 | S | 94.2 | Very high | 91.8 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 12% | 0.119 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 114 | 173.8 | -162.7 | 0 | 0 | 0 | 0 | 108.8 | V191 G192 E194 | V191-S199 WeakPolarHBondContact CA-O 3.36Å; G192-S199 PolarHBondContact N-O 2.81Å; G192-S199 PolarHBondContact O-N 3.31Å; E194-S199 VanDerWaalsContact OE1-CB 3.24Å; E194-S199 WeakPolarHBondContact OE1-CB 3.4Å; E194-S199 PolarHBondContact OE1-OG 2.86Å |
| 200 | V | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 106.7 | -179 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | I188 V191 V202 N228 I229 V237 M257 | I188-V200 HydrophobicContact CD1-CG1 4.4Å; I188-V200 HydrophobicContact CG1-CG1 4.15Å; I188-V200 HydrophobicContact CG2-CG1 3.85Å; V191-V200 HydrophobicContact CG1-CG2 4.28Å; V191-V200 HydrophobicContact CG2-CG1 4.2Å; V191-V200 HydrophobicContact CG2-CG2 4.34Å; V200-V202 HydrophobicContact CG1-CG1 3.96Å; V200-N228 WeakPolarHBondContact O-CA 3.16Å; V200-I229 WeakPolarHBondContact CB-O 3.46Å; V200-I229 PolarHBondContact N-O 2.87Å; V200-I229 PolarHBondContact O-N 3.05Å; V200-V237 HydrophobicContact CG2-CG1 4.49Å; V200-M257 HydrophobicContact CB-CE 4.47Å; V200-M257 HydrophobicContact CG1-CE 4.46Å; V200-M257 HydrophobicContact CG2-CE 4.38Å |
| 201 | S | 95.3 | Very high | 91.5 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 127.9 | 175 | -163 | 0 | 0 | 0 | 0 | 110 | K189 T190 N228 | K189-S201 PolarHBondContact N-O 3.26Å; T190-S201 PolarHBondContact N-O 3.33Å; T190-S201 PolarHBondContact O-N 3.25Å; T190-S201 WeakPolarHBondContact OG1-CB 3.47Å; S201-N228 PolarHBondContact OG-OD1 3.09Å |
| 202 | V | 95.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.4 | -175 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | T187 V200 I204 F215 T226 G227 I229 F246 | T187-V202 VanDerWaalsContact O-CA 3.31Å; T187-V202 WeakPolarHBondContact O-CA 3.44Å; V200-V202 HydrophobicContact CG1-CG1 3.96Å; V202-I204 HydrophobicContact CB-CD1 4.09Å; V202-I204 HydrophobicContact CG2-CD1 3.65Å; V202-I204 HydrophobicContact CG2-CG1 4.15Å; V202-F215 HydrophobicContact CG2-CD1 4.33Å; V202-F215 HydrophobicContact CG2-CE1 3.76Å; V202-T226 WeakPolarHBondContact O-CA 3.28Å; V202-G227 WeakPolarHBondContact CG2-O 3.41Å; V202-G227 PolarHBondContact N-O 3.23Å; V202-G227 PolarHBondContact O-N 3.03Å; V202-I229 HydrophobicContact CG1-CD1 4.08Å; V202-I229 HydrophobicContact CG2-CD1 3.98Å; V202-I229 HydrophobicContact CG2-CG1 4.12Å; V202-F246 HydrophobicContact CB-CE2 4.1Å; V202-F246 HydrophobicContact CB-CZ 4.34Å; V202-F246 HydrophobicContact CG1-CD2 4.43Å; V202-F246 HydrophobicContact CG1-CE1 4.04Å; V202-F246 HydrophobicContact CG1-CE2 3.84Å; V202-F246 HydrophobicContact CG1-CZ 3.62Å |
| 203 | E | 95.3 | Very high | 91.1 | Very high | 66 Ų | 66 | 62.5 Ų | 62.5 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.5 | 163.3 | -176.5 | 178 | -154.2 | 0 | 0 | 108.5 | G186 T187 K189 S224 | G186-E203 CarbonylContact C-O 3.59Å; G186-E203 WeakPolarHBondContact CA-O 3.27Å; T187-E203 PolarHBondContact N-O 3.36Å; T187-E203 PolarHBondContact O-N 3.3Å; K189-E203 HydrophobicContact CD-CB 4.36Å; K189-E203 WeakPolarHBondContact CE-OE2 3.45Å; K189-E203 HydrophobicContact CG-CB 4.14Å; K189-E203 IonicContact NZ-OE2 2.78Å; K189-E203 PolarHBondContact NZ-OE2 3.08Å; E203-S224 PolarHBondContact OE1-OG 3Å |
| 204 | I | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.6 | -176.7 | -56.8 | -51.3 | 0 | 0 | 0 | 108.8 | A184 R185 V202 H206 L207 F215 S224 W225 F246 | A184-I204 HydrophobicContact CB-CD1 3.77Å; A184-I204 HydrophobicContact CB-CG1 4.22Å; A184-I204 HydrophobicContact CB-CG2 3.82Å; R185-I204 CarbonylContact O-C 3.48Å; R185-I204 WeakPolarHBondContact O-CA 3.5Å; R185-I204 WeakPolarHBondContact O-CG2 3.46Å; V202-I204 HydrophobicContact CB-CD1 4.09Å; V202-I204 HydrophobicContact CG2-CD1 3.65Å; V202-I204 HydrophobicContact CG2-CG1 4.15Å; I204-H206 WeakPolarHBondContact CG2-O 3.38Å; I204-L207 HydrophobicContact CG2-CB 4.31Å; I204-F215 HydrophobicContact CD1-CE1 4.3Å; I204-F215 HydrophobicContact CG1-CD1 3.89Å; I204-F215 HydrophobicContact CG1-CE1 4.17Å; I204-F215 HydrophobicContact CG1-CG 4.21Å; I204-S224 VanDerWaalsContact O-CA 3.27Å; I204-S224 WeakPolarHBondContact O-CA 3.5Å; I204-S224 WeakPolarHBondContact O-CB 3.38Å; I204-W225 HydrophobicContact CB-CB 4.01Å; I204-W225 HydrophobicContact CB-CE3 4.48Å; I204-W225 HydrophobicContact CG2-CE3 4.08Å; I204-W225 PolarHBondContact N-O 3.26Å; I204-W225 PolarHBondContact O-N 2.93Å; I204-F246 HydrophobicContact CD1-CD2 3.82Å; I204-F246 HydrophobicContact CD1-CE2 4.17Å |
| 205 | S | 93.8 | Very high | 91.7 | Very high | 57 Ų | 57 | 53.8 Ų | 53.8 | 40% | 0.399 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -31.2 | 174.7 | 52.9 | 0 | 0 | 0 | 0 | 112 | R185 E243 | R185-S205 PolarHBondContact O-N 3.25Å; R185-S205 PolarHBondContact O-OG 2.86Å; S205-E243 PolarHBondContact OG-OE1 2.79Å |
| 206 | H | 93.9 | Very high | 92.2 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 31% | 0.306 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 133.3 | 177.6 | -169.7 | -99.4 | 0 | 0 | 0 | 111.6 | A184 R185 I204 Y208 | A184-H206 CarbonylContact C-O 3.53Å; A184-H206 WeakPolarHBondContact CA-O 3.2Å; R185-H206 HydrophobicContact CB-CB 4.14Å; R185-H206 PolarHBondContact N-O 2.98Å; R185-H206 PolarHBondContact O-N 2.76Å; I204-H206 WeakPolarHBondContact CG2-O 3.38Å; H206-Y208 AromaticContact CE1-CD1 3.49Å; H206-Y208 VanDerWaalsContact CE1-CD1 3.49Å; H206-Y208 WeakPolarHBondContact CE1-CD1 3.38Å; H206-Y208 AromaticContact CE1-CE1 3.39Å; H206-Y208 WeakPolarHBondContact CE1-CE1 3.09Å; H206-Y208 AromaticContact CE1-CZ 3.93Å; H206-Y208 AromaticContact ND1-CD1 3.46Å; H206-Y208 WeakPolarHBondContact ND1-CD1 3.38Å; H206-Y208 AromaticContact ND1-CD2 3.82Å; H206-Y208 AromaticContact ND1-CE1 3.16Å; H206-Y208 WeakPolarHBondContact ND1-CE1 3.33Å; H206-Y208 AromaticContact ND1-CE2 3.56Å; H206-Y208 AromaticContact ND1-CG 3.77Å; H206-Y208 AromaticContact ND1-CZ 3.21Å |
| 207 | L | 93.6 | Very high | 92.4 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 18% | 0.183 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 107.1 | -179.2 | -175.9 | 72 | 0 | 0 | 0 | 110 | A184 I204 Q210 F215 W225 | A184-L207 HydrophobicContact CB-CD1 3.84Å; I204-L207 HydrophobicContact CG2-CB 4.31Å; L207-Q210 HydrophobicContact CD1-CB 4.32Å; L207-Q210 HydrophobicContact CD2-CB 4.29Å; L207-Q210 VanDerWaalsContact CD2-CD 3.47Å; L207-Q210 HydrophobicContact CD2-CG 3.78Å; L207-F215 HydrophobicContact CD1-CD2 3.79Å; L207-F215 HydrophobicContact CD1-CE2 4.33Å; L207-W225 HydrophobicContact CB-CD2 4.44Å; L207-W225 HydrophobicContact CB-CE3 4.43Å |
| 208 | Y | 93.6 | Very high | 92.1 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 19% | 0.192 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -37.8 | 179 | -57.2 | -85.6 | 0 | 0 | 0 | 111.7 | V183 R185 H206 L245 Y263 V283 E284 | V183-Y208 HydrophobicContact CG1-CD2 3.84Å; V183-Y208 HydrophobicContact CG1-CG 4.22Å; V183-Y208 PolarHBondContact O-N 3.05Å; R185-Y208 HydrophobicContact CB-CE2 3.95Å; H206-Y208 AromaticContact CE1-CD1 3.49Å; H206-Y208 VanDerWaalsContact CE1-CD1 3.49Å; H206-Y208 WeakPolarHBondContact CE1-CD1 3.38Å; H206-Y208 AromaticContact CE1-CE1 3.39Å; H206-Y208 WeakPolarHBondContact CE1-CE1 3.09Å; H206-Y208 AromaticContact CE1-CZ 3.93Å; H206-Y208 AromaticContact ND1-CD1 3.46Å; H206-Y208 WeakPolarHBondContact ND1-CD1 3.38Å; H206-Y208 AromaticContact ND1-CD2 3.82Å; H206-Y208 AromaticContact ND1-CE1 3.16Å; H206-Y208 WeakPolarHBondContact ND1-CE1 3.33Å; H206-Y208 AromaticContact ND1-CE2 3.56Å; H206-Y208 AromaticContact ND1-CG 3.77Å; H206-Y208 AromaticContact ND1-CZ 3.21Å; Y208-L245 HydrophobicContact CD2-CD1 4.29Å; Y208-L245 HydrophobicContact CE2-CD1 3.94Å; Y208-Y263 VanDerWaalsContact OH-CE2 3.3Å; Y208-Y263 WeakPolarHBondContact OH-CE2 3.13Å; Y208-Y263 PolarHBondContact OH-OH 2.84Å; Y208-V283 HydrophobicContact CD1-CG1 3.76Å; Y208-V283 HydrophobicContact CE1-CG1 3.99Å; Y208-V283 HydrophobicContact CG-CG1 4.47Å; Y208-E284 VanDerWaalsContact CE1-O 3.31Å; Y208-E284 WeakPolarHBondContact CE1-O 3.35Å |
| 209 | R | 92.9 | Very high | 91.5 | Very high | 104 Ų | 104 | 50.8 Ų | 50.8 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 139.3 | -177 | -179.9 | 173 | 173 | 166.3 | -11.5 | 111.1 | C178 N180 F182 V183 | C178-R209 PolarHBondContact O-NH1 2.82Å; N180-R209 WeakPolarHBondContact O-CD 3.26Å; N180-R209 VanDerWaalsContact O-CZ 3.26Å; N180-R209 PolarHBondContact O-NE 2.88Å; N180-R209 PolarHBondContact O-NH2 2.88Å; F182-R209 CarbonylContact C-O 3.53Å; F182-R209 VanDerWaalsContact CA-O 3.24Å; F182-R209 WeakPolarHBondContact CA-O 3.09Å; V183-R209 HydrophobicContact CB-CB 4.23Å; V183-R209 HydrophobicContact CG2-CB 4.39Å; V183-R209 PolarHBondContact N-O 3.17Å; V183-R209 PolarHBondContact O-N 3.28Å; V183-R209 VanDerWaalsContact O-N 3.1Å |
| 210 | Q | 92.6 | Very high | 90.3 | Very high | 48 Ų | 48 | 57.4 Ų | 57.4 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 124.4 | 157.8 | 69.3 | -178 | -31.8 | 0 | 0 | 109.7 | D181 F182 L207 T212 | D181-Q210 CarbonylContact O-C 3.56Å; D181-Q210 WeakPolarHBondContact O-CA 3.44Å; F182-Q210 HydrophobicContact CB-CB 4.42Å; L207-Q210 HydrophobicContact CD1-CB 4.32Å; L207-Q210 HydrophobicContact CD2-CB 4.29Å; L207-Q210 VanDerWaalsContact CD2-CD 3.47Å; L207-Q210 HydrophobicContact CD2-CG 3.78Å; Q210-T212 VanDerWaalsContact C-N 3.34Å; Q210-T212 PolarHBondContact OE1-O 2.97Å |
| 211 | K | 88.8 | Confident | 89 | Confident | 114 Ų | 114 | 69.2 Ų | 69.2 | 50% | 0.496 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -70.8 | -33.9 | 177.4 | -174.9 | -179.1 | 177.8 | -170.2 | 0 | 112.1 | D181 | D181-K211 HydrophobicContact CB-CB 4.1Å; D181-K211 HydrophobicContact CB-CD 4.41Å; D181-K211 PolarHBondContact O-N 2.83Å; D181-K211 WeakPolarHBondContact OD1-CD 3.47Å; D181-K211 IonicContact OD1-NZ 2.73Å |
| 212 | T | 85.1 | Confident | 87.9 | Confident | 49 Ų | 49 | 71 Ų | 71 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -134.3 | 156.1 | 177.7 | 53.3 | 0 | 0 | 0 | 0 | 109 | Q210 V214 V250 | Q210-T212 VanDerWaalsContact C-N 3.34Å; Q210-T212 PolarHBondContact OE1-O 2.97Å; T212-V214 VanDerWaalsContact C-N 3.25Å; T212-V214 PolarHBondContact O-N 3.05Å; T212-V250 WeakPolarHBondContact OG1-CG1 3.36Å |
| 213 | H | 89.5 | Confident | 87.2 | Confident | 168 Ų | 168 | 82 Ų | 82 | 78% | 0.778 | 42% | 0.416 | S | S | * | . | trans | -72.8 | 71.9 | -177.7 | -64.9 | -75.5 | 0 | 0 | 0 | 112.9 | ||||
| 214 | V | 93.5 | Very high | 86.9 | Confident | 21 Ų | 21 | 79.5 Ų | 79.5 | 13% | 0.127 | 41% | 0.406 | C | S | . | . | trans | -88.1 | -19.6 | 173.7 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | T212 V250 A255 | T212-V214 VanDerWaalsContact C-N 3.25Å; T212-V214 PolarHBondContact O-N 3.05Å; V214-V250 HydrophobicContact CG1-CB 4.43Å; V214-V250 HydrophobicContact CG1-CG1 3.79Å; V214-V250 HydrophobicContact CG1-CG2 3.74Å; V214-V250 HydrophobicContact CG2-CG2 4.24Å; V214-A255 HydrophobicContact CB-CB 4.07Å; V214-A255 HydrophobicContact CG1-CB 4.28Å; V214-A255 HydrophobicContact CG2-CB 4.14Å | ||
| 215 | F | 94.4 | Very high | 86.8 | Confident | 2 Ų | 2 | 82.6 Ų | 82.6 | 1% | 0.009 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -112.9 | 127.9 | 171.9 | -54.8 | -66.8 | 0 | 0 | 0 | 110.1 | F182 A184 V202 I204 L207 W225 T226 I229 | F182-F215 HydrophobicContact CB-CE2 3.99Å; F182-F215 AromaticContact CD2-CE2 3.66Å; F182-F215 HydrophobicContact CD2-CE2 3.66Å; F182-F215 AromaticContact CD2-CZ 3.8Å; F182-F215 HydrophobicContact CD2-CZ 3.8Å; F182-F215 HydrophobicContact CE2-CE2 4.35Å; F182-F215 HydrophobicContact CE2-CZ 4.03Å; F182-F215 AromaticContact CG-CE2 3.91Å; F182-F215 HydrophobicContact CG-CE2 3.91Å; F182-F215 HydrophobicContact CG-CZ 4.32Å; A184-F215 HydrophobicContact CB-CE2 4.23Å; V202-F215 HydrophobicContact CG2-CD1 4.33Å; V202-F215 HydrophobicContact CG2-CE1 3.76Å; I204-F215 HydrophobicContact CD1-CE1 4.3Å; I204-F215 HydrophobicContact CG1-CD1 3.89Å; I204-F215 HydrophobicContact CG1-CE1 4.17Å; I204-F215 HydrophobicContact CG1-CG 4.21Å; L207-F215 HydrophobicContact CD1-CD2 3.79Å; L207-F215 HydrophobicContact CD1-CE2 4.33Å; F215-W225 HydrophobicContact CB-CB 3.9Å; F215-T226 WeakPolarHBondContact CA-O 3.47Å; F215-I229 HydrophobicContact CE1-CD1 4.15Å; F215-I229 HydrophobicContact CE1-CG1 4.01Å; F215-I229 HydrophobicContact CZ-CD1 4Å; F215-I229 HydrophobicContact CZ-CG1 4.12Å |
| 216 | V | 91.9 | Very high | 86.8 | Confident | 96 Ų | 96 | 83.4 Ų | 83.4 | 58% | 0.582 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.9 | -175.8 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | W225 T226 | V216-W225 CarbonylContact O-C 3.52Å; V216-W225 WeakPolarHBondContact O-CA 3.22Å; V216-W225 WeakPolarHBondContact O-CB 3.47Å; V216-T226 PolarHBondContact N-O 3.23Å; V216-T226 PolarHBondContact O-N 2.86Å |
| 217 | S | 88.8 | Confident | 86.9 | Confident | 60 Ų | 60 | 80.9 Ų | 80.9 | 42% | 0.42 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 138 | 177.5 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | G219 | S217-G219 PolarHBondContact O-N 2.95Å; S217-G219 PolarHBondContact OG-N 2.78Å |
| 218 | G | 80.7 | Confident | 87 | Confident | 48 Ų | 48 | 83.5 Ų | 83.5 | 50% | 0.495 | 43% | 0.426 | S | S | . | . | trans | -67.2 | 5.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S224 | G218-S224 PolarHBondContact N-O 2.62Š| ||
| 219 | G | 77.8 | Confident | 87.1 | Confident | 36 Ų | 36 | 81.2 Ų | 81.2 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | trans | 93.2 | -175.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S217 R221 V222 | S217-G219 PolarHBondContact O-N 2.95Å; S217-G219 PolarHBondContact OG-N 2.78Å; G219-R221 PolarHBondContact O-N 2.03Å; G219-V222 CarbonylContact O-C 3.6Å; G219-V222 PolarHBondContact O-N 2.81Å; G219-V222 VanDerWaalsContact O-N 3.11Å | ||
| 220 | V | 69.4 | Low | 87.1 | Confident | 156 Ų | 156 | 77.7 Ų | 77.7 | 95% | 0.945 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.4 | -169.1 | -174.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 221 | R | 68.1 | Low | 86.9 | Confident | 248 Ų | 248 | 76.5 Ų | 76.5 | 94% | 0.936 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -16.8 | -177 | -62.3 | -175 | -173.8 | -176.7 | 2.1 | 113.9 | G219 | G219-R221 PolarHBondContact O-N 2.03Š|
| 222 | V | 71.4 | Confident | 86.9 | Confident | 68 Ų | 68 | 72.8 Ų | 72.8 | 41% | 0.412 | 39% | 0.388 | S | S | . | . | trans | -124.7 | 107.8 | -174.8 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | G219 S224 | G219-V222 CarbonylContact O-C 3.6Å; G219-V222 PolarHBondContact O-N 2.81Å; G219-V222 VanDerWaalsContact O-N 3.11Å; V222-S224 WeakPolarHBondContact CG1-OG 3.37Å; V222-S224 PolarHBondContact O-N 2.77Å | ||
| 223 | R | 80 | Confident | 86.8 | Confident | 230 Ų | 230 | 74.2 Ų | 74.2 | 87% | 0.868 | 39% | 0.393 | S | S | * | . | trans | -78.8 | 30 | 177 | -68.6 | -172.5 | 175.6 | -174.5 | -1.3 | 112.9 | W225 | R223-W225 WeakPolarHBondContact O-CZ3 3.09Š| ||
| 224 | S | 89.2 | Confident | 86.6 | Confident | 14 Ų | 14 | 72.8 Ų | 72.8 | 10% | 0.098 | 39% | 0.387 | C | S | . | . | trans | -117.1 | 151.6 | 173.2 | 67 | 0 | 0 | 0 | 0 | 110.5 | E203 I204 G218 V222 | E203-S224 PolarHBondContact OE1-OG 3Å; I204-S224 VanDerWaalsContact O-CA 3.27Å; I204-S224 WeakPolarHBondContact O-CA 3.5Å; I204-S224 WeakPolarHBondContact O-CB 3.38Å; G218-S224 PolarHBondContact N-O 2.62Å; V222-S224 WeakPolarHBondContact CG1-OG 3.37Å; V222-S224 PolarHBondContact O-N 2.77Å | ||
| 225 | W | 93.9 | Very high | 86.1 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 25% | 0.25 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 149.8 | 171.4 | -54.5 | -111.5 | 0 | 0 | 0 | 109.1 | I204 L207 F215 V216 R223 | I204-W225 HydrophobicContact CB-CB 4.01Å; I204-W225 HydrophobicContact CB-CE3 4.48Å; I204-W225 HydrophobicContact CG2-CE3 4.08Å; I204-W225 PolarHBondContact N-O 3.26Å; I204-W225 PolarHBondContact O-N 2.93Å; L207-W225 HydrophobicContact CB-CD2 4.44Å; L207-W225 HydrophobicContact CB-CE3 4.43Å; F215-W225 HydrophobicContact CB-CB 3.9Å; V216-W225 CarbonylContact O-C 3.52Å; V216-W225 WeakPolarHBondContact O-CA 3.22Å; V216-W225 WeakPolarHBondContact O-CB 3.47Å; R223-W225 WeakPolarHBondContact O-CZ3 3.09Å |
| 226 | T | 94.8 | Very high | 85.3 | Confident | 74 Ų | 74 | 75.5 Ų | 75.5 | 45% | 0.454 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 152.5 | 173 | 57.5 | 0 | 0 | 0 | 0 | 109.7 | V202 F215 V216 | V202-T226 WeakPolarHBondContact O-CA 3.28Å; F215-T226 WeakPolarHBondContact CA-O 3.47Å; V216-T226 PolarHBondContact N-O 3.23Å; V216-T226 PolarHBondContact O-N 2.86Å |
| 227 | G | 94.9 | Very high | 84.8 | Confident | 12 Ų | 12 | 73 Ų | 73 | 12% | 0.124 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V202 | V202-G227 WeakPolarHBondContact CG2-O 3.41Å; V202-G227 PolarHBondContact N-O 3.23Å; V202-G227 PolarHBondContact O-N 3.03Å |
| 228 | N | 95.5 | Very high | 84.4 | Confident | 90 Ų | 90 | 78.5 Ų | 78.5 | 48% | 0.481 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.4 | 179.4 | -62.4 | -29.5 | 0 | 0 | 0 | 109.2 | V200 S201 | V200-N228 WeakPolarHBondContact O-CA 3.16Å; S201-N228 PolarHBondContact OG-OD1 3.09Å |
| 229 | I | 95.3 | Very high | 84.5 | Confident | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.005 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.5 | 176 | -53.4 | 178 | 0 | 0 | 0 | 107.9 | F182 V200 V202 F215 F246 A255 M257 | F182-I229 HydrophobicContact CE2-CD1 4.08Å; F182-I229 HydrophobicContact CZ-CD1 4.35Å; F182-I229 HydrophobicContact CZ-CG2 4.15Å; V200-I229 WeakPolarHBondContact CB-O 3.46Å; V200-I229 PolarHBondContact N-O 2.87Å; V200-I229 PolarHBondContact O-N 3.05Å; V202-I229 HydrophobicContact CG1-CD1 4.08Å; V202-I229 HydrophobicContact CG2-CD1 3.98Å; V202-I229 HydrophobicContact CG2-CG1 4.12Å; F215-I229 HydrophobicContact CE1-CD1 4.15Å; F215-I229 HydrophobicContact CE1-CG1 4.01Å; F215-I229 HydrophobicContact CZ-CD1 4Å; F215-I229 HydrophobicContact CZ-CG1 4.12Å; I229-F246 HydrophobicContact CD1-CB 3.84Å; I229-F246 HydrophobicContact CD1-CD1 4.01Å; I229-F246 HydrophobicContact CD1-CD2 4.48Å; I229-F246 HydrophobicContact CD1-CG 3.86Å; I229-A255 HydrophobicContact CG1-CB 4.45Å; I229-M257 HydrophobicContact CB-CE 4.23Å; I229-M257 HydrophobicContact CD1-CE 4.47Å; I229-M257 HydrophobicContact CG2-CB 3.69Å; I229-M257 HydrophobicContact CG2-CE 3.85Å; I229-M257 HydrophobicContact CG2-CG 4.41Å |
| 230 | K | 93 | Very high | 84.3 | Confident | 31 Ų | 31 | 79.4 Ų | 79.4 | 14% | 0.135 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 141.6 | 176.8 | -60.1 | -169.6 | 171.4 | -165 | 0 | 110.7 | H197 A198 E254 A255 W256 M257 | H197-K230 VanDerWaalsContact CD2-CG 3.48Å; H197-K230 WeakPolarHBondContact CD2-CG 3.04Å; H197-K230 WeakPolarHBondContact NE2-CD 3.12Å; H197-K230 WeakPolarHBondContact NE2-CE 3.48Å; H197-K230 PolarHBondContact NE2-NZ 3.43Å; A198-K230 WeakPolarHBondContact O-CA 3.46Å; K230-E254 HydrophobicContact CD-CB 4.13Å; K230-E254 VanDerWaalsContact CE-CD 3.46Å; K230-E254 IonicContact NZ-OE1 3.72Å; K230-E254 PolarHBondContact NZ-OE1 3.42Å; K230-E254 IonicContact NZ-OE2 3.02Å; K230-E254 PolarHBondContact NZ-OE2 3.27Å; K230-A255 WeakPolarHBondContact CB-O 3.2Å; K230-A255 PolarHBondContact N-O 3.46Å; K230-W256 HydrophobicContact CB-CD2 3.83Å; K230-W256 HydrophobicContact CB-CE3 3.88Å; K230-W256 HydrophobicContact CB-CG 4.34Å; K230-W256 HydrophobicContact CB-CH2 4.31Å; K230-W256 HydrophobicContact CB-CZ2 4.25Å; K230-W256 HydrophobicContact CB-CZ3 4.13Å; K230-W256 HydrophobicContact CD-CH2 4.43Å; K230-W256 HydrophobicContact CD-CZ2 3.82Å; K230-W256 WeakPolarHBondContact O-CA 3.26Å; K230-M257 PolarHBondContact O-N 2.87Å |
| 231 | M | 89.2 | Confident | 85 | Confident | 22 Ų | 22 | 80.6 Ų | 80.6 | 11% | 0.108 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 149.2 | 175.1 | -168.3 | 175.3 | -160.9 | 0 | 0 | 110.9 | H197 A198 L233 C235 V237 M257 | H197-M231 CarbonylContact C-O 3.58Å; H197-M231 WeakPolarHBondContact CA-O 3.36Å; H197-M231 WeakPolarHBondContact CB-O 3.1Å; A198-M231 PolarHBondContact N-O 2.66Å; A198-M231 PolarHBondContact O-N 2.87Å; M231-L233 PolarHBondContact O-N 2.7Å; M231-C235 HydrophobicContact CE-CB 3.54Å; M231-C235 HydrophobicContact CG-CB 4.21Å; M231-C235 HydrophobicContact SD-CB 3.9Å; M231-V237 HydrophobicContact CE-CG2 4.02Å; M231-V237 HydrophobicContact SD-CB 4.3Å; M231-V237 HydrophobicContact SD-CG2 3.19Å; M231-V237 WeakPolarHBondContact SD-CG2 3.39Å; M231-M257 HydrophobicContact CB-CB 4.24Å; M231-M257 HydrophobicContact CE-SD 3.93Å; M231-M257 HydrophobicContact CG-CB 4.25Å; M231-M257 HydrophobicContact CG-SD 4.42Å; M231-M257 HydrophobicContact SD-CG 4.46Å; M231-M257 HydrophobicContact SD-SD 3.53Å |
| 232 | P | 87.6 | Confident | 86.1 | Confident | 37 Ų | 37 | 70.4 Ų | 70.4 | 24% | 0.24 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 137.1 | 173.8 | -26.8 | 37.2 | 0 | 0 | 0 | 113 | P164 Q234 C235 | P164-P232 HydrophobicContact CB-CB 4.32Å; P164-P232 HydrophobicContact CB-CG 3.84Å; P232-Q234 HydrophobicContact CB-CG 4.24Å; P232-Q234 PolarHBondContact O-N 3.3Å; P232-C235 PolarHBondContact O-N 2.96Å; P232-C235 VanDerWaalsContact O-N 3.13Å |
| 233 | L | 84.9 | Confident | 87.2 | Confident | 78 Ų | 78 | 70.6 Ų | 70.6 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -55.9 | -36.6 | -177.5 | -73 | 169 | 0 | 0 | 0 | 113.1 | P193 H197 A198 M231 C235 G236 | P193-L233 HydrophobicContact CB-CD2 4.15Å; H197-L233 VanDerWaalsContact C-CD2 3.47Å; A198-L233 HydrophobicContact CB-CD2 4.27Å; M231-L233 PolarHBondContact O-N 2.7Å; L233-C235 PolarHBondContact O-N 3.14Å; L233-C235 VanDerWaalsContact O-N 3.1Å; L233-G236 PolarHBondContact O-N 3.07Å |
| 234 | Q | 84 | Confident | 88 | Confident | 139 Ų | 139 | 60.9 Ų | 60.9 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -64.8 | -13.4 | -177.3 | 70.8 | -154.8 | 13.2 | 0 | 0 | 114.3 | C165 P232 G236 | C165-Q234 VanDerWaalsContact SG-CG 3.5Å; P232-Q234 HydrophobicContact CB-CG 4.24Å; P232-Q234 PolarHBondContact O-N 3.3Å; Q234-G236 VanDerWaalsContact C-N 3.31Å |
| 235 | C | 83.4 | Confident | 88.3 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -79.6 | -14.3 | 178.9 | -54.9 | 0 | 0 | 0 | 0 | 113.3 | P164 C165 M231 P232 L233 V237 | P164-C235 PolarHBondContact O-SG 2.87Å; C165-C235 WeakPolarHBondContact CA-SG 3.42Å; C165-C235 HydrophobicContact CB-CB 3.68Å; C165-C235 WeakPolarHBondContact CB-SG 3.13Å; C165-C235 WeakPolarHBondContact SG-CA 3.38Å; C165-C235 WeakPolarHBondContact SG-CB 3.15Å; C165-C235 PolarHBondContact SG-N 2.83Å; C165-C235 CovalentContact SG-SG 2.04Å; C165-C235 PolarHBondContact SG-SG 3.26Å; M231-C235 HydrophobicContact CE-CB 3.54Å; M231-C235 HydrophobicContact CG-CB 4.21Å; M231-C235 HydrophobicContact SD-CB 3.9Å; P232-C235 PolarHBondContact O-N 2.96Å; P232-C235 VanDerWaalsContact O-N 3.13Å; L233-C235 PolarHBondContact O-N 3.14Å; L233-C235 VanDerWaalsContact O-N 3.1Å; C235-V237 VanDerWaalsContact C-N 3.3Å; C235-V237 PolarHBondContact O-N 3.46Å |
| 236 | G | 77.4 | Confident | 88.4 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 55% | 0.546 | 33% | 0.327 | S | S | . | . | trans | 58.9 | 35.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L233 Q234 | L233-G236 PolarHBondContact O-N 3.07Å; Q234-G236 VanDerWaalsContact C-N 3.31Å | ||
| 237 | V | 82 | Confident | 88.5 | Confident | 44 Ų | 44 | 53.7 Ų | 53.7 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | trans | -63.1 | 140.2 | 179.3 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | I188 V191 V200 M231 C235 | I188-V237 HydrophobicContact CD1-CG1 4.26Å; V191-V237 HydrophobicContact CG2-CG1 4.23Å; V200-V237 HydrophobicContact CG2-CG1 4.49Å; M231-V237 HydrophobicContact CE-CG2 4.02Å; M231-V237 HydrophobicContact SD-CB 4.3Å; M231-V237 HydrophobicContact SD-CG2 3.19Å; M231-V237 WeakPolarHBondContact SD-CG2 3.39Å; C235-V237 VanDerWaalsContact C-N 3.3Å; C235-V237 PolarHBondContact O-N 3.46Å | ||
| 238 | K | 80 | Confident | 88.4 | Confident | 174 Ų | 174 | 53.1 Ų | 53.1 | 76% | 0.757 | 30% | 0.299 | S | S | * | . | trans | -119.8 | 148 | 177 | -62.4 | -178.1 | -178.4 | 179.6 | 0 | 109.2 | G240 | K238-G240 PolarHBondContact O-N 3.03Š| ||
| 239 | S | 81.8 | Confident | 88.3 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 46% | 0.462 | 29% | 0.294 | S | S | . | . | trans | -56.4 | 136.4 | 162.4 | -62.1 | 0 | 0 | 0 | 0 | 109 | K189 | K189-S239 PolarHBondContact O-OG 3.11Š| ||
| 240 | G | 74.1 | Confident | 88.1 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | trans | -158.8 | 155.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K238 | K238-G240 PolarHBondContact O-N 3.03Š| ||
| 241 | E | 84.3 | Confident | 88 | Confident | 181 Ų | 181 | 54 Ų | 54 | 85% | 0.846 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -74.4 | 146 | 178.8 | -63.2 | -169.5 | 168.9 | 0 | 0 | 112.1 | R262 | E241-R262 PolarHBondContact O-NH1 2.92Å; E241-R262 VanDerWaalsContact O-NH1 3.09Å |
| 242 | G | 91.3 | Very high | 88.1 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 122.8 | 167.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F244 | G242-F244 WeakPolarHBondContact O-CD2 3.42Å; G242-F244 WeakPolarHBondContact O-CE2 3.39Å |
| 243 | E | 95.1 | Very high | 88.1 | Confident | 72 Ų | 72 | 54.3 Ų | 54.3 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | trans | -95.1 | 137.6 | 174.6 | -65.9 | -169.5 | 98.9 | 0 | 0 | 110.9 | R185 G186 T187 S205 Y263 | R185-E243 IonicContact CZ-OE1 2.83Å; R185-E243 IonicContact CZ-OE2 3.1Å; R185-E243 VanDerWaalsContact NE-CD 3.34Å; R185-E243 IonicContact NE-OE1 2.87Å; R185-E243 PolarHBondContact NE-OE1 3.03Å; R185-E243 IonicContact NE-OE2 2.66Å; R185-E243 PolarHBondContact NE-OE2 3.26Å; R185-E243 IonicContact NH2-OE1 2.73Å; R185-E243 PolarHBondContact NH2-OE1 2.99Å; R185-E243 IonicContact NH2-OE2 3.16Å; R185-E243 PolarHBondContact NH2-OE2 2.9Å; G186-E243 WeakPolarHBondContact O-CA 3.4Å; T187-E243 HydrophobicContact CG2-CG 4.15Å; S205-E243 PolarHBondContact OG-OE1 2.79Å; E243-Y263 PolarHBondContact O-N 2.89Å | ||
| 244 | F | 95.7 | Very high | 88.4 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 11% | 0.114 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.4 | -178.4 | -60.8 | -91.2 | 0 | 0 | 0 | 109.8 | R185 G186 I188 G242 F246 P261 R262 | R185-F244 WeakPolarHBondContact CA-O 3.3Å; G186-F244 PolarHBondContact N-O 2.86Å; G186-F244 PolarHBondContact O-N 3.2Å; I188-F244 HydrophobicContact CD1-CD2 4.41Å; I188-F244 HydrophobicContact CD1-CE2 4.25Å; I188-F244 HydrophobicContact CG1-CD2 4.29Å; I188-F244 HydrophobicContact CG1-CE2 4.39Å; G242-F244 WeakPolarHBondContact O-CD2 3.42Å; G242-F244 WeakPolarHBondContact O-CE2 3.39Å; F244-F246 HydrophobicContact CB-CD1 4.39Å; F244-F246 HydrophobicContact CB-CE1 3.84Å; F244-F246 HydrophobicContact CB-CE2 4.18Å; F244-F246 HydrophobicContact CB-CZ 3.73Å; F244-F246 HydrophobicContact CD2-CZ 4.37Å; F244-F246 HydrophobicContact CG-CE1 4.46Å; F244-F246 HydrophobicContact CG-CZ 4.36Å; F244-P261 VanDerWaalsContact CA-O 3.31Å; F244-P261 WeakPolarHBondContact CA-O 3.32Å; F244-R262 HydrophobicContact CD1-CG 4.33Å; F244-R262 HydrophobicContact CE1-CG 4.04Å |
| 245 | L | 96.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 106.7 | 165 | -177 | 74.7 | 0 | 0 | 0 | 108.2 | V177 V183 A184 Y208 T247 A260 P261 Y263 F266 | V177-L245 HydrophobicContact CG2-CD2 3.61Å; V183-L245 HydrophobicContact CG1-CD1 3.92Å; A184-L245 CarbonylContact O-C 3.57Å; Y208-L245 HydrophobicContact CD2-CD1 4.29Å; Y208-L245 HydrophobicContact CE2-CD1 3.94Å; L245-T247 HydrophobicContact CD2-CG2 4.16Å; L245-T247 HydrophobicContact CG-CG2 4.13Å; L245-A260 WeakPolarHBondContact O-CA 3.17Å; L245-P261 HydrophobicContact CB-CG 4.22Å; L245-P261 PolarHBondContact N-O 3.33Å; L245-P261 WeakPolarHBondContact O-CD 3.42Å; L245-Y263 HydrophobicContact CB-CD2 4.29Å; L245-Y263 HydrophobicContact CD1-CD2 4.33Å; L245-Y263 HydrophobicContact CD1-CE2 4.47Å; L245-F266 HydrophobicContact CD2-CB 4Å; L245-F266 HydrophobicContact CD2-CD1 3.78Å; L245-F266 HydrophobicContact CD2-CD2 3.58Å; L245-F266 HydrophobicContact CD2-CE1 4.13Å; L245-F266 HydrophobicContact CD2-CE2 3.96Å; L245-F266 HydrophobicContact CD2-CG 3.49Å; L245-F266 VanDerWaalsContact CD2-CG 3.49Å; L245-F266 HydrophobicContact CD2-CZ 4.21Å |
| 246 | F | 96.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 123.5 | 174 | -55 | -69.6 | 0 | 0 | 0 | 109.9 | F182 V183 A184 I188 V202 I204 I229 F244 M257 A260 | F182-F246 HydrophobicContact CE2-CB 4.19Å; V183-F246 CarbonylContact C-O 3.57Å; V183-F246 WeakPolarHBondContact CA-O 3.5Å; A184-F246 PolarHBondContact N-O 2.96Å; A184-F246 PolarHBondContact O-N 2.82Å; I188-F246 HydrophobicContact CD1-CE1 4.44Å; I188-F246 HydrophobicContact CG1-CE1 4.01Å; I188-F246 HydrophobicContact CG1-CZ 3.77Å; V202-F246 HydrophobicContact CB-CE2 4.1Å; V202-F246 HydrophobicContact CB-CZ 4.34Å; V202-F246 HydrophobicContact CG1-CD2 4.43Å; V202-F246 HydrophobicContact CG1-CE1 4.04Å; V202-F246 HydrophobicContact CG1-CE2 3.84Å; V202-F246 HydrophobicContact CG1-CZ 3.62Å; I204-F246 HydrophobicContact CD1-CD2 3.82Å; I204-F246 HydrophobicContact CD1-CE2 4.17Å; I229-F246 HydrophobicContact CD1-CB 3.84Å; I229-F246 HydrophobicContact CD1-CD1 4.01Å; I229-F246 HydrophobicContact CD1-CD2 4.48Å; I229-F246 HydrophobicContact CD1-CG 3.86Å; F244-F246 HydrophobicContact CB-CD1 4.39Å; F244-F246 HydrophobicContact CB-CE1 3.84Å; F244-F246 HydrophobicContact CB-CE2 4.18Å; F244-F246 HydrophobicContact CB-CZ 3.73Å; F244-F246 HydrophobicContact CD2-CZ 4.37Å; F244-F246 HydrophobicContact CG-CE1 4.46Å; F244-F246 HydrophobicContact CG-CZ 4.36Å; F246-M257 HydrophobicContact CD1-CE 4.16Å; F246-M257 HydrophobicContact CE1-CE 4.39Å; F246-A260 HydrophobicContact CD1-CB 4.11Å; F246-A260 HydrophobicContact CE1-CB 4.44Å |
| 247 | T | 96 | Very high | 90.1 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 149.5 | 170.9 | 68.8 | 0 | 0 | 0 | 0 | 109.1 | A176 V177 N180 F182 V183 L245 G258 C259 | A176-T247 HydrophobicContact CB-CG2 4.39Å; V177-T247 HydrophobicContact CG2-CG2 4.15Å; N180-T247 PolarHBondContact ND2-OG1 2.95Å; F182-T247 WeakPolarHBondContact O-CA 3.36Å; V183-T247 HydrophobicContact CG1-CG2 4.26Å; V183-T247 HydrophobicContact CG2-CG2 4.35Å; L245-T247 HydrophobicContact CD2-CG2 4.16Å; L245-T247 HydrophobicContact CG-CG2 4.13Å; T247-G258 WeakPolarHBondContact O-CA 3.41Å; T247-G258 PolarHBondContact O-N 3.47Å; T247-C259 PolarHBondContact N-O 2.88Å; T247-C259 PolarHBondContact O-N 3.45Å; T247-C259 WeakPolarHBondContact OG1-CA 3.33Å; T247-C259 VanDerWaalsContact OG1-CB 3.24Å; T247-C259 WeakPolarHBondContact OG1-CB 3.36Å; T247-C259 PolarHBondContact OG1-N 3.04Å; T247-C259 PolarHBondContact OG1-O 2.93Å; T247-C259 VanDerWaalsContact OG1-O 3.08Å |
| 248 | G | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.6 | -178.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N180 D181 F182 W256 | N180-G248 WeakPolarHBondContact CB-O 3.23Å; N180-G248 PolarHBondContact ND2-N 2.86Å; D181-G248 PolarHBondContact N-O 2.8Å; F182-G248 VanDerWaalsContact CD1-O 3.31Å; F182-G248 WeakPolarHBondContact CD1-O 3.01Å; F182-G248 VanDerWaalsContact CE1-CA 3.44Å; F182-G248 VanDerWaalsContact CZ-CA 3.48Å; F182-G248 PolarHBondContact N-O 2.87Å; F182-G248 VanDerWaalsContact N-O 3.12Å; F182-G248 PolarHBondContact O-N 2.91Å; F182-G248 VanDerWaalsContact O-N 3.15Å; G248-W256 VanDerWaalsContact CA-O 3.27Å; G248-W256 WeakPolarHBondContact CA-O 3.38Å |
| 249 | T | 92.4 | Very high | 91 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 37% | 0.368 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 151.7 | -179.7 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | D181 W256 | D181-T249 WeakPolarHBondContact OD2-CA 3.36Å; T249-W256 PolarHBondContact N-O 2.84Å; T249-W256 PolarHBondContact O-N 2.88Å |
| 250 | V | 91.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.1 | 168.2 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | D181 F182 T212 V214 E254 | D181-V250 HydrophobicContact CB-CB 4.27Å; D181-V250 HydrophobicContact CB-CG2 3.92Å; D181-V250 PolarHBondContact OD2-N 2.95Å; F182-V250 HydrophobicContact CD1-CG2 4.03Å; T212-V250 WeakPolarHBondContact OG1-CG1 3.36Å; V214-V250 HydrophobicContact CG1-CB 4.43Å; V214-V250 HydrophobicContact CG1-CG1 3.79Å; V214-V250 HydrophobicContact CG1-CG2 3.74Å; V214-V250 HydrophobicContact CG2-CG2 4.24Å; V250-E254 WeakPolarHBondContact CA-O 3.46Å |
| 251 | R | 89.9 | Confident | 92.6 | Very high | 70 Ų | 70 | 38 Ų | 38 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.3 | -179.9 | -55.7 | -61.9 | -58 | -100.5 | -16.9 | 108.4 | E148 G253 E254 | E148-R251 IonicContact OE2-CZ 3.72Å; E148-R251 IonicContact OE2-NE 2.63Å; E148-R251 PolarHBondContact OE2-NE 3.4Å; E148-R251 IonicContact OE2-NH2 2.7Å; E148-R251 PolarHBondContact OE2-NH2 3.07Å; R251-G253 PolarHBondContact O-N 2.79Å; R251-E254 PolarHBondContact N-O 2.77Å; R251-E254 WeakPolarHBondContact O-CB 3.44Å; R251-E254 PolarHBondContact O-N 2.95Å |
| 252 | F | 91.1 | Very high | 93.1 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 5% | 0.053 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 40.9 | -178 | -56.2 | -75.5 | 0 | 0 | 0 | 113.3 | C84 K86 V118 Q146 E148 E254 | C84-F252 HydrophobicContact CB-CE2 4.24Å; C84-F252 HydrophobicContact CB-CZ 3.69Å; K86-F252 HydrophobicContact CB-CB 4.33Å; K86-F252 HydrophobicContact CB-CD1 3.51Å; K86-F252 HydrophobicContact CB-CD2 4.31Å; K86-F252 HydrophobicContact CB-CE1 3.78Å; K86-F252 HydrophobicContact CB-CG 3.79Å; K86-F252 HydrophobicContact CB-CZ 4.29Å; K86-F252 HydrophobicContact CD-CB 3.57Å; K86-F252 HydrophobicContact CD-CD1 4.35Å; K86-F252 HydrophobicContact CD-CD2 4.32Å; K86-F252 HydrophobicContact CD-CG 3.83Å; K86-F252 HydrophobicContact CG-CG 4.46Å; V118-F252 HydrophobicContact CB-CE2 4.3Å; V118-F252 HydrophobicContact CG1-CD2 4.44Å; V118-F252 HydrophobicContact CG1-CE2 3.54Å; V118-F252 HydrophobicContact CG1-CZ 3.92Å; V118-F252 HydrophobicContact CG2-CD2 3.75Å; V118-F252 HydrophobicContact CG2-CE2 3.69Å; V118-F252 HydrophobicContact CG2-CZ 4.47Å; Q146-F252 HydrophobicContact CB-CD1 3.73Å; Q146-F252 HydrophobicContact CB-CE1 4.3Å; Q146-F252 VanDerWaalsContact OE1-C 3.28Å; Q146-F252 VanDerWaalsContact OE1-CA 3.23Å; Q146-F252 PolarHBondContact OE1-O 3.32Å; E148-F252 HydrophobicContact CB-CE1 4.25Å; E148-F252 HydrophobicContact CB-CZ 4.11Å; E148-F252 HydrophobicContact CG-CD1 4.19Å; E148-F252 HydrophobicContact CG-CE1 3.87Å; E148-F252 HydrophobicContact CG-CZ 4.11Å; E148-F252 PolarHBondContact OE1-N 2.81Å; F252-E254 PolarHBondContact O-N 3.02Å |
| 253 | G | 89.4 | Confident | 93.3 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 54% | 0.536 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 4.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | R251 | R251-G253 PolarHBondContact O-N 2.79Š|
| 254 | E | 91.1 | Very high | 93.3 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 25% | 0.252 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.4 | -178.3 | -58.4 | 174 | 148.3 | 0 | 0 | 110.3 | K86 K230 V250 R251 F252 | K86-E254 IonicContact NZ-OE1 2.82Å; K86-E254 PolarHBondContact NZ-OE1 2.83Å; K86-E254 IonicContact NZ-OE2 3.79Å; K86-E254 PolarHBondContact NZ-OE2 2.87Å; K230-E254 HydrophobicContact CD-CB 4.13Å; K230-E254 VanDerWaalsContact CE-CD 3.46Å; K230-E254 IonicContact NZ-OE1 3.72Å; K230-E254 PolarHBondContact NZ-OE1 3.42Å; K230-E254 IonicContact NZ-OE2 3.02Å; K230-E254 PolarHBondContact NZ-OE2 3.27Å; V250-E254 WeakPolarHBondContact CA-O 3.46Å; R251-E254 PolarHBondContact N-O 2.77Å; R251-E254 WeakPolarHBondContact O-CB 3.44Å; R251-E254 PolarHBondContact O-N 2.95Å; F252-E254 PolarHBondContact O-N 3.02Å |
| 255 | A | 94.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 126.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F182 V214 I229 K230 | F182-A255 HydrophobicContact CD1-CB 4.26Å; F182-A255 HydrophobicContact CE1-CB 3.73Å; F182-A255 HydrophobicContact CZ-CB 4.18Å; V214-A255 HydrophobicContact CB-CB 4.07Å; V214-A255 HydrophobicContact CG1-CB 4.28Å; V214-A255 HydrophobicContact CG2-CB 4.14Å; I229-A255 HydrophobicContact CG1-CB 4.45Å; K230-A255 WeakPolarHBondContact CB-O 3.2Å; K230-A255 PolarHBondContact N-O 3.46Å |
| 256 | W | 92.6 | Very high | 93.2 | Very high | 79 Ų | 79 | 37.7 Ų | 37.7 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.1 | 173.9 | -75.4 | 82.9 | 0 | 0 | 0 | 110.2 | H197 K230 G248 T249 G258 | H197-W256 HydrophobicContact CB-CH2 4.23Å; H197-W256 HydrophobicContact CB-CZ3 4.45Å; K230-W256 HydrophobicContact CB-CD2 3.83Å; K230-W256 HydrophobicContact CB-CE3 3.88Å; K230-W256 HydrophobicContact CB-CG 4.34Å; K230-W256 HydrophobicContact CB-CH2 4.31Å; K230-W256 HydrophobicContact CB-CZ2 4.25Å; K230-W256 HydrophobicContact CB-CZ3 4.13Å; K230-W256 HydrophobicContact CD-CH2 4.43Å; K230-W256 HydrophobicContact CD-CZ2 3.82Å; K230-W256 WeakPolarHBondContact O-CA 3.26Å; G248-W256 VanDerWaalsContact CA-O 3.27Å; G248-W256 WeakPolarHBondContact CA-O 3.38Å; T249-W256 PolarHBondContact N-O 2.84Å; T249-W256 PolarHBondContact O-N 2.88Å; W256-G258 PolarHBondContact O-N 2.82Å |
| 257 | M | 92.3 | Very high | 93.3 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 129.9 | -178.5 | -167 | 164.3 | -70.3 | 0 | 0 | 111.1 | V200 I229 K230 M231 F246 A260 | V200-M257 HydrophobicContact CB-CE 4.47Å; V200-M257 HydrophobicContact CG1-CE 4.46Å; V200-M257 HydrophobicContact CG2-CE 4.38Å; I229-M257 HydrophobicContact CB-CE 4.23Å; I229-M257 HydrophobicContact CD1-CE 4.47Å; I229-M257 HydrophobicContact CG2-CB 3.69Å; I229-M257 HydrophobicContact CG2-CE 3.85Å; I229-M257 HydrophobicContact CG2-CG 4.41Å; K230-M257 PolarHBondContact O-N 2.87Å; M231-M257 HydrophobicContact CB-CB 4.24Å; M231-M257 HydrophobicContact CE-SD 3.93Å; M231-M257 HydrophobicContact CG-CB 4.25Å; M231-M257 HydrophobicContact CG-SD 4.42Å; M231-M257 HydrophobicContact SD-CG 4.46Å; M231-M257 HydrophobicContact SD-SD 3.53Å; F246-M257 HydrophobicContact CD1-CE 4.16Å; F246-M257 HydrophobicContact CE1-CE 4.39Å; M257-A260 HydrophobicContact CE-CB 4.4Å; M257-A260 HydrophobicContact CG-CB 4.37Å; M257-A260 HydrophobicContact SD-CB 3.74Å |
| 258 | G | 91.2 | Very high | 93.3 | Very high | 44 Ų | 44 | 47.1 Ų | 47.1 | 45% | 0.454 | 24% | 0.243 | S | C | . | . | trans | -101.2 | -88.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T247 W256 | T247-G258 WeakPolarHBondContact O-CA 3.41Å; T247-G258 PolarHBondContact O-N 3.47Å; W256-G258 PolarHBondContact O-N 2.82Å | ||
| 259 | C | 91 | Very high | 93.4 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 7% | 0.068 | 25% | 0.247 | C | C | . | . | trans | -105.9 | 142 | 175.1 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | C168 T247 | C168-C259 HydrophobicContact CB-CB 3.83Å; C168-C259 WeakPolarHBondContact CB-SG 3.35Å; C168-C259 VanDerWaalsContact SG-CA 3.53Å; C168-C259 WeakPolarHBondContact SG-CB 3.47Å; C168-C259 CovalentContact SG-SG 2.02Å; C168-C259 PolarHBondContact SG-SG 2.93Å; T247-C259 PolarHBondContact N-O 2.88Å; T247-C259 PolarHBondContact O-N 3.45Å; T247-C259 WeakPolarHBondContact OG1-CA 3.33Å; T247-C259 VanDerWaalsContact OG1-CB 3.24Å; T247-C259 WeakPolarHBondContact OG1-CB 3.36Å; T247-C259 PolarHBondContact OG1-N 3.04Å; T247-C259 PolarHBondContact OG1-O 2.93Å; T247-C259 VanDerWaalsContact OG1-O 3.08Å | ||
| 260 | A | 93.8 | Very high | 93.6 | Very high | 37 Ų | 37 | 45.2 Ų | 45.2 | 31% | 0.306 | 23% | 0.231 | S | C | . | . | trans | -135.4 | 55.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | L245 F246 M257 | L245-A260 WeakPolarHBondContact O-CA 3.17Å; F246-A260 HydrophobicContact CD1-CB 4.11Å; F246-A260 HydrophobicContact CE1-CB 4.44Å; M257-A260 HydrophobicContact CE-CB 4.4Å; M257-A260 HydrophobicContact CG-CB 4.37Å; M257-A260 HydrophobicContact SD-CB 3.74Å | ||
| 261 | P | 94.3 | Very high | 93.8 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | trans | -66.6 | 163.1 | 175.8 | 32.3 | -39 | 0 | 0 | 0 | 111.4 | M173 F244 L245 | M173-P261 HydrophobicContact CE-CB 3.61Å; M173-P261 HydrophobicContact CE-CG 3.86Å; M173-P261 HydrophobicContact CG-CG 4.01Å; M173-P261 HydrophobicContact SD-CB 3.92Å; M173-P261 HydrophobicContact SD-CG 3.62Å; F244-P261 VanDerWaalsContact CA-O 3.31Å; F244-P261 WeakPolarHBondContact CA-O 3.32Å; L245-P261 HydrophobicContact CB-CG 4.22Å; L245-P261 PolarHBondContact N-O 3.33Å; L245-P261 WeakPolarHBondContact O-CD 3.42Å | ||
| 262 | R | 94.8 | Very high | 94.1 | Very high | 108 Ų | 108 | 50.2 Ų | 50.2 | 41% | 0.408 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -65.6 | 139 | 167.7 | -62.8 | -174.1 | 173.4 | -83.7 | 3.7 | 109 | E241 F244 K264 D265 F266 | E241-R262 PolarHBondContact O-NH1 2.92Å; E241-R262 VanDerWaalsContact O-NH1 3.09Å; F244-R262 HydrophobicContact CD1-CG 4.33Å; F244-R262 HydrophobicContact CE1-CG 4.04Å; R262-K264 VanDerWaalsContact C-N 3.25Å; R262-K264 HydrophobicContact CB-CG 4.18Å; R262-K264 PolarHBondContact O-N 3.25Å; R262-D265 WeakPolarHBondContact CB-OD2 3.24Å; R262-D265 PolarHBondContact O-N 3.36Å; R262-F266 PolarHBondContact O-N 3.18Å |
| 263 | Y | 95.9 | Very high | 94.3 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -36.6 | -174.9 | -176.4 | -114.2 | 0 | 0 | 0 | 112.6 | R185 Y208 E243 L245 D265 F266 L267 | R185-Y263 HydrophobicContact CB-CD2 4.33Å; R185-Y263 HydrophobicContact CB-CE2 4.37Å; R185-Y263 HydrophobicContact CG-CD1 4.3Å; R185-Y263 HydrophobicContact CG-CD2 4.02Å; R185-Y263 HydrophobicContact CG-CE2 4.27Å; R185-Y263 HydrophobicContact CG-CG 4.05Å; R185-Y263 VanDerWaalsContact NH1-CE1 3.29Å; Y208-Y263 VanDerWaalsContact OH-CE2 3.3Å; Y208-Y263 WeakPolarHBondContact OH-CE2 3.13Å; Y208-Y263 PolarHBondContact OH-OH 2.84Å; E243-Y263 PolarHBondContact O-N 2.89Å; L245-Y263 HydrophobicContact CB-CD2 4.29Å; L245-Y263 HydrophobicContact CD1-CD2 4.33Å; L245-Y263 HydrophobicContact CD1-CE2 4.47Å; Y263-D265 VanDerWaalsContact C-N 3.28Å; Y263-D265 PolarHBondContact O-N 2.78Å; Y263-F266 HydrophobicContact CD2-CD1 4.09Å; Y263-F266 AromaticContact CE2-CD1 3.93Å; Y263-F266 HydrophobicContact CE2-CD1 3.93Å; Y263-F266 HydrophobicContact CE2-CE1 4.25Å; Y263-F266 WeakPolarHBondContact O-CB 3.46Å; Y263-F266 PolarHBondContact O-N 3.45Å; Y263-L267 HydrophobicContact CD1-CD1 3.91Å; Y263-L267 HydrophobicContact CD1-CG 4.23Å; Y263-L267 HydrophobicContact CE1-CD1 3.47Å; Y263-L267 VanDerWaalsContact CE1-CD1 3.47Å; Y263-L267 HydrophobicContact CE1-CD2 4.16Å; Y263-L267 HydrophobicContact CE1-CG 3.81Å; Y263-L267 HydrophobicContact CE2-CD2 4.36Å; Y263-L267 HydrophobicContact CE2-CG 4.34Å; Y263-L267 PolarHBondContact O-N 2.65Å |
| 264 | K | 95.5 | Very high | 94.6 | Very high | 140 Ų | 140 | 51.7 Ų | 51.7 | 61% | 0.609 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.6 | -35.4 | 174.9 | 68.8 | 175.9 | -171.3 | 172.3 | 0 | 113.8 | R262 R268 | R262-K264 VanDerWaalsContact C-N 3.25Å; R262-K264 HydrophobicContact CB-CG 4.18Å; R262-K264 PolarHBondContact O-N 3.25Å; K264-R268 PolarHBondContact O-N 3.15Å |
| 265 | D | 95.2 | Very high | 94.9 | Very high | 51 Ų | 51 | 56.6 Ų | 56.6 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -76.2 | -39.3 | -176.6 | -61.3 | -32.5 | 0 | 0 | 0 | 109.1 | R262 Y263 R268 L269 | R262-D265 WeakPolarHBondContact CB-OD2 3.24Å; R262-D265 PolarHBondContact O-N 3.36Å; Y263-D265 VanDerWaalsContact C-N 3.28Å; Y263-D265 PolarHBondContact O-N 2.78Å; D265-R268 PolarHBondContact O-N 3.18Å; D265-L269 WeakPolarHBondContact O-CG 3.33Å; D265-L269 PolarHBondContact O-N 3.19Å; D265-L269 VanDerWaalsContact O-N 3.14Å |
| 266 | F | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 169.6 | 164.7 | -107.1 | 0 | 0 | 0 | 112.4 | M173 V177 L245 R262 Y263 R268 L269 Y270 T285 | M173-F266 HydrophobicContact CG-CD2 4.27Å; M173-F266 HydrophobicContact SD-CB 3.9Å; M173-F266 HydrophobicContact SD-CD2 4.15Å; V177-F266 HydrophobicContact CB-CE2 4.5Å; V177-F266 HydrophobicContact CG1-CZ 4.43Å; V177-F266 HydrophobicContact CG2-CD2 4.35Å; V177-F266 HydrophobicContact CG2-CE2 3.68Å; V177-F266 HydrophobicContact CG2-CZ 4.09Å; L245-F266 HydrophobicContact CD2-CB 4Å; L245-F266 HydrophobicContact CD2-CD1 3.78Å; L245-F266 HydrophobicContact CD2-CD2 3.58Å; L245-F266 HydrophobicContact CD2-CE1 4.13Å; L245-F266 HydrophobicContact CD2-CE2 3.96Å; L245-F266 HydrophobicContact CD2-CG 3.49Å; L245-F266 VanDerWaalsContact CD2-CG 3.49Å; L245-F266 HydrophobicContact CD2-CZ 4.21Å; R262-F266 PolarHBondContact O-N 3.18Å; Y263-F266 HydrophobicContact CD2-CD1 4.09Å; Y263-F266 AromaticContact CE2-CD1 3.93Å; Y263-F266 HydrophobicContact CE2-CD1 3.93Å; Y263-F266 HydrophobicContact CE2-CE1 4.25Å; Y263-F266 WeakPolarHBondContact O-CB 3.46Å; Y263-F266 PolarHBondContact O-N 3.45Å; F266-R268 VanDerWaalsContact C-N 3.29Å; F266-R268 PolarHBondContact O-N 2.74Å; F266-L269 PolarHBondContact O-N 2.84Å; F266-L269 VanDerWaalsContact O-N 3.14Å; F266-Y270 HydrophobicContact CE2-CD2 4.29Å; F266-Y270 HydrophobicContact CE2-CG 4.28Å; F266-Y270 HydrophobicContact CZ-CD2 4.18Å; F266-Y270 HydrophobicContact CZ-CG 4.01Å; F266-Y270 WeakPolarHBondContact O-CB 3.44Å; F266-Y270 PolarHBondContact O-N 3.3Å; F266-T285 HydrophobicContact CE1-CG2 4.08Å |
| 267 | L | 96.3 | Very high | 95.1 | Very high | 38 Ų | 38 | 61.2 Ų | 61.2 | 20% | 0.199 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.6 | -44.8 | -179.5 | -78.8 | -179.9 | 0 | 0 | 0 | 112 | Y263 Y270 H271 T285 | Y263-L267 HydrophobicContact CD1-CD1 3.91Å; Y263-L267 HydrophobicContact CD1-CG 4.23Å; Y263-L267 HydrophobicContact CE1-CD1 3.47Å; Y263-L267 VanDerWaalsContact CE1-CD1 3.47Å; Y263-L267 HydrophobicContact CE1-CD2 4.16Å; Y263-L267 HydrophobicContact CE1-CG 3.81Å; Y263-L267 HydrophobicContact CE2-CD2 4.36Å; Y263-L267 HydrophobicContact CE2-CG 4.34Å; Y263-L267 PolarHBondContact O-N 2.65Å; L267-Y270 PolarHBondContact O-N 3.22Å; L267-H271 WeakPolarHBondContact O-CB 3.37Å; L267-H271 PolarHBondContact O-CD2 2.91Å; L267-H271 VanDerWaalsContact O-CG 3.3Å; L267-H271 PolarHBondContact O-N 3.32Å; L267-T285 HydrophobicContact CD2-CG2 3.79Å |
| 268 | R | 96.5 | Very high | 95.3 | Very high | 162 Ų | 162 | 64 Ų | 64 | 61% | 0.611 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.3 | -50.3 | 176.1 | -179.1 | -176.7 | 61.6 | -176.3 | -3.2 | 111.3 | K264 D265 F266 E272 | K264-R268 PolarHBondContact O-N 3.15Å; D265-R268 PolarHBondContact O-N 3.18Å; F266-R268 VanDerWaalsContact C-N 3.29Å; F266-R268 PolarHBondContact O-N 2.74Å; R268-E272 PolarHBondContact O-N 3.36Å; R268-E272 VanDerWaalsContact O-N 3.1Å |
| 269 | L | 95.9 | Very high | 95.4 | Very high | 16 Ų | 16 | 63.9 Ų | 63.9 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -42.1 | -179.5 | -71 | 171.2 | 0 | 0 | 0 | 112.2 | D170 M173 D265 F266 E272 A273 | D170-L269 HydrophobicContact CB-CD1 4.22Å; D170-L269 HydrophobicContact CB-CD2 4.05Å; D170-L269 WeakPolarHBondContact OD1-CD1 3.26Å; M173-L269 HydrophobicContact CE-CD1 3.69Å; M173-L269 HydrophobicContact SD-CD1 3.66Å; D265-L269 WeakPolarHBondContact O-CG 3.33Å; D265-L269 PolarHBondContact O-N 3.19Å; D265-L269 VanDerWaalsContact O-N 3.14Å; F266-L269 PolarHBondContact O-N 2.84Å; F266-L269 VanDerWaalsContact O-N 3.14Å; L269-E272 PolarHBondContact O-N 3.28Å; L269-A273 WeakPolarHBondContact O-CB 3.41Å; L269-A273 PolarHBondContact O-N 3.13Å |
| 270 | Y | 96.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.2 | -42.2 | -179.4 | -178.3 | -101.5 | 0 | 0 | 0 | 112 | L174 F266 L267 A273 Q274 N279 H282 V283 T285 | L174-Y270 HydrophobicContact CD2-CD2 4.12Å; F266-Y270 HydrophobicContact CE2-CD2 4.29Å; F266-Y270 HydrophobicContact CE2-CG 4.28Å; F266-Y270 HydrophobicContact CZ-CD2 4.18Å; F266-Y270 HydrophobicContact CZ-CG 4.01Å; F266-Y270 WeakPolarHBondContact O-CB 3.44Å; F266-Y270 PolarHBondContact O-N 3.3Å; L267-Y270 PolarHBondContact O-N 3.22Å; Y270-A273 PolarHBondContact O-N 2.95Å; Y270-Q274 WeakPolarHBondContact O-CB 3.41Å; Y270-Q274 PolarHBondContact O-N 3.37Å; Y270-N279 HydrophobicContact CE2-CB 4.16Å; Y270-H282 WeakPolarHBondContact OH-CA 3.04Å; Y270-V283 HydrophobicContact CE1-CB 4.34Å; Y270-V283 HydrophobicContact CE2-CB 4.05Å; Y270-V283 HydrophobicContact CE2-CG2 3.88Å; Y270-V283 PolarHBondContact OH-N 3.35Å; Y270-V283 PolarHBondContact OH-O 3.43Å; Y270-T285 HydrophobicContact CD1-CG2 3.76Å; Y270-T285 HydrophobicContact CE1-CG2 3.91Å |
| 271 | H | 96.2 | Very high | 95.6 | Very high | 85 Ų | 85 | 66.7 Ų | 66.7 | 39% | 0.394 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 175.4 | -72.7 | -173.2 | 0 | 0 | 0 | 112.2 | L267 Q274 L275 | L267-H271 WeakPolarHBondContact O-CB 3.37Å; L267-H271 PolarHBondContact O-CD2 2.91Å; L267-H271 VanDerWaalsContact O-CG 3.3Å; L267-H271 PolarHBondContact O-N 3.32Å; H271-Q274 PolarHBondContact O-N 3.35Å; H271-L275 WeakPolarHBondContact O-CG 3.43Å; H271-L275 PolarHBondContact O-N 3.14Å |
| 272 | E | 96.7 | Very high | 95.6 | Very high | 101 Ų | 101 | 72.1 Ų | 72.1 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 174.2 | -178.1 | 172.6 | -174.6 | 0 | 0 | 111.3 | R268 L269 Q274 L275 Q276 | R268-E272 PolarHBondContact O-N 3.36Å; R268-E272 VanDerWaalsContact O-N 3.1Å; L269-E272 PolarHBondContact O-N 3.28Å; E272-Q274 VanDerWaalsContact C-N 3.31Å; E272-Q274 PolarHBondContact O-N 3.32Å; E272-L275 PolarHBondContact O-N 2.82Å; E272-Q276 WeakPolarHBondContact O-CG 3.48Å; E272-Q276 PolarHBondContact O-N 2.73Å; E272-Q276 PolarHBondContact OE1-NE2 3.4Å |
| 273 | A | 96.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 67.5 Ų | 67.5 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L174 L269 Y270 Q276 G277 T278 N279 | L174-A273 HydrophobicContact CD1-CB 3.84Å; L174-A273 HydrophobicContact CD2-CB 4.19Å; L269-A273 WeakPolarHBondContact O-CB 3.41Å; L269-A273 PolarHBondContact O-N 3.13Å; Y270-A273 PolarHBondContact O-N 2.95Å; A273-Q276 CarbonylContact O-C 3.12Å; A273-Q276 PolarHBondContact O-N 3.35Å; A273-G277 PolarHBondContact O-N 2.96Å; A273-T278 WeakPolarHBondContact CA-OG1 3.36Å; A273-T278 PolarHBondContact O-N 2.97Å; A273-T278 PolarHBondContact O-OG1 3.44Å; A273-N279 HydrophobicContact CB-CB 4.08Å; A273-N279 PolarHBondContact O-N 3.34Å |
| 274 | Q | 95.4 | Very high | 95 | Very high | 92 Ų | 92 | 74.5 Ų | 74.5 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67 | -41.6 | 177.1 | -175.6 | 174.5 | -34.5 | 0 | 0 | 112 | Y270 H271 E272 Q276 G277 | Y270-Q274 WeakPolarHBondContact O-CB 3.41Å; Y270-Q274 PolarHBondContact O-N 3.37Å; H271-Q274 PolarHBondContact O-N 3.35Å; E272-Q274 VanDerWaalsContact C-N 3.31Å; E272-Q274 PolarHBondContact O-N 3.32Å; Q274-Q276 VanDerWaalsContact C-N 3.28Å; Q274-Q276 PolarHBondContact O-N 2.9Å; Q274-G277 PolarHBondContact O-N 3.32Å |
| 275 | L | 96.3 | Very high | 94.5 | Very high | 157 Ų | 157 | 69.2 Ų | 69.2 | 82% | 0.822 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.9 | -35.1 | 175 | -72.2 | 171 | 0 | 0 | 0 | 112.1 | H271 E272 G277 | H271-L275 WeakPolarHBondContact O-CG 3.43Å; H271-L275 PolarHBondContact O-N 3.14Å; E272-L275 PolarHBondContact O-N 2.82Å; L275-G277 VanDerWaalsContact C-N 3.35Å |
| 276 | Q | 96.8 | Very high | 93.2 | Very high | 120 Ų | 120 | 74.5 Ų | 74.5 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -83.2 | -10.4 | 177.8 | -66.5 | 175.7 | 8.1 | 0 | 0 | 113.4 | E272 A273 Q274 T278 | E272-Q276 WeakPolarHBondContact O-CG 3.48Å; E272-Q276 PolarHBondContact O-N 2.73Å; E272-Q276 PolarHBondContact OE1-NE2 3.4Å; A273-Q276 CarbonylContact O-C 3.12Å; A273-Q276 PolarHBondContact O-N 3.35Å; Q274-Q276 VanDerWaalsContact C-N 3.28Å; Q274-Q276 PolarHBondContact O-N 2.9Å; Q276-T278 HydrophobicContact CB-CG2 4.02Å; Q276-T278 PolarHBondContact O-N 3.46Å |
| 277 | G | 95.1 | Very high | 93.1 | Very high | 60 Ų | 60 | 78.3 Ų | 78.3 | 62% | 0.619 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 24.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A273 Q274 L275 | A273-G277 PolarHBondContact O-N 2.96Å; Q274-G277 PolarHBondContact O-N 3.32Å; L275-G277 VanDerWaalsContact C-N 3.35Å |
| 278 | T | 95.3 | Very high | 92.9 | Very high | 84 Ų | 84 | 80.4 Ų | 80.4 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | trans | -103.5 | 3 | -178.6 | 56.9 | 0 | 0 | 0 | 0 | 113 | A273 Q276 | A273-T278 WeakPolarHBondContact CA-OG1 3.36Å; A273-T278 PolarHBondContact O-N 2.97Å; A273-T278 PolarHBondContact O-OG1 3.44Å; Q276-T278 HydrophobicContact CB-CG2 4.02Å; Q276-T278 PolarHBondContact O-N 3.46Å | ||
| 279 | N | 93.7 | Very high | 92.7 | Very high | 42 Ų | 42 | 75.8 Ų | 75.8 | 23% | 0.225 | 41% | 0.408 | C | S | . | . | trans | -67.2 | 128.6 | 177.9 | 62.8 | -63.9 | 0 | 0 | 0 | 111 | Y270 A273 C281 | Y270-N279 HydrophobicContact CE2-CB 4.16Å; A273-N279 HydrophobicContact CB-CB 4.08Å; A273-N279 PolarHBondContact O-N 3.34Å; N279-C281 VanDerWaalsContact C-N 3.29Å; N279-C281 PolarHBondContact ND2-O 3.41Å; N279-C281 PolarHBondContact O-N 3.38Å | ||
| 280 | P | 94.6 | Very high | 92.6 | Very high | 68 Ų | 68 | 79.4 Ų | 79.4 | 44% | 0.442 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -70.8 | -23.1 | -174.9 | 22.5 | -29.3 | 0 | 0 | 0 | 113.7 | L174 L175 | L174-P280 HydrophobicContact CB-CG 4Å; L174-P280 VanDerWaalsContact O-CG 3.31Å; L174-P280 WeakPolarHBondContact O-CG 3.43Å; L175-P280 HydrophobicContact CD1-CB 4.49Å |
| 281 | C | 95.4 | Very high | 92.3 | Very high | 39 Ų | 39 | 84.1 Ų | 84.1 | 26% | 0.264 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -152.5 | 169.1 | 172.4 | 67 | 0 | 0 | 0 | 0 | 110.6 | C178 N279 | C178-C281 WeakPolarHBondContact CA-SG 3.29Å; C178-C281 HydrophobicContact CB-CB 3.77Å; C178-C281 WeakPolarHBondContact CB-SG 3.46Å; C178-C281 WeakPolarHBondContact SG-CB 3.49Å; C178-C281 PolarHBondContact SG-N 3.14Å; C178-C281 VanDerWaalsContact SG-N 3.37Å; C178-C281 CovalentContact SG-SG 2.02Å; C178-C281 PolarHBondContact SG-SG 3.36Å; N279-C281 VanDerWaalsContact C-N 3.29Å; N279-C281 PolarHBondContact ND2-O 3.41Å; N279-C281 PolarHBondContact O-N 3.38Å |
| 282 | H | 93.7 | Very high | 92.1 | Very high | 136 Ų | 136 | 84 Ų | 84 | 63% | 0.63 | 46% | 0.456 | S | S | * | . | trans | -89.6 | 133.8 | 171.5 | -174.2 | 64.9 | 0 | 0 | 0 | 110.7 | Y270 | Y270-H282 WeakPolarHBondContact OH-CA 3.04Š| ||
| 283 | V | 91 | Very high | 91.7 | Very high | 12 Ų | 12 | 82.8 Ų | 82.8 | 7% | 0.073 | 46% | 0.455 | C | S | . | . | trans | -129.8 | 126.6 | 178.6 | -174.6 | 0 | 0 | 0 | 0 | 106.6 | V177 Y208 Y270 T285 | V177-V283 HydrophobicContact CG1-CB 4.46Å; V177-V283 HydrophobicContact CG1-CG1 4.23Å; V177-V283 HydrophobicContact CG1-CG2 3.4Å; Y208-V283 HydrophobicContact CD1-CG1 3.76Å; Y208-V283 HydrophobicContact CE1-CG1 3.99Å; Y208-V283 HydrophobicContact CG-CG1 4.47Å; Y270-V283 HydrophobicContact CE1-CB 4.34Å; Y270-V283 HydrophobicContact CE2-CB 4.05Å; Y270-V283 HydrophobicContact CE2-CG2 3.88Å; Y270-V283 PolarHBondContact OH-N 3.35Å; Y270-V283 PolarHBondContact OH-O 3.43Å; V283-T285 HydrophobicContact CB-CG2 4.47Å; V283-T285 HydrophobicContact CG1-CG2 4.19Å; V283-T285 PolarHBondContact O-N 3.02Å | ||
| 284 | E | 87.9 | Confident | 91.4 | Very high | 154 Ų | 154 | 88.9 Ų | 88.9 | 72% | 0.72 | 49% | 0.488 | S | S | * | . | trans | -72.6 | 93.4 | 173.6 | -70.8 | -178.7 | 178.8 | 0 | 0 | 109 | Y208 | Y208-E284 VanDerWaalsContact CE1-O 3.31Å; Y208-E284 WeakPolarHBondContact CE1-O 3.35Å | ||
| 285 | T | 83.8 | Confident | 91 | Very high | 30 Ų | 30 | 88.7 Ų | 88.7 | 18% | 0.184 | 49% | 0.493 | C | S | . | . | trans | -92.1 | 145.6 | 171.5 | 55.1 | 0 | 0 | 0 | 0 | 109.9 | F266 L267 Y270 V283 | F266-T285 HydrophobicContact CE1-CG2 4.08Å; L267-T285 HydrophobicContact CD2-CG2 3.79Å; Y270-T285 HydrophobicContact CD1-CG2 3.76Å; Y270-T285 HydrophobicContact CE1-CG2 3.91Å; V283-T285 HydrophobicContact CB-CG2 4.47Å; V283-T285 HydrophobicContact CG1-CG2 4.19Å; V283-T285 PolarHBondContact O-N 3.02Å | ||
| 286 | D | 69.1 | Low | 90.6 | Very high | 162 Ų | 162 | 82.5 Ų | 82.5 | 87% | 0.866 | 46% | 0.463 | S | S | * | . | trans | -58.1 | 0 | 177.6 | -61 | -27.8 | 0 | 0 | 0 | 113.9 | R185 | R185-D286 IonicContact CZ-OD2 2.7Å; R185-D286 IonicContact NH1-OD2 3.46Å; R185-D286 PolarHBondContact NH1-OD2 2.78Å |
Retrieved 286 of 286 residues in 266.5 ms
(Link to these results)