| 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 | V | 47 | Very low | 43.2 | Very low | 175 Ų | 175 | 110.7 Ų | 110.7 | 100% | 1.061 | 60% | 0.596 | S | S | * | * | 0 | -48.4 | 0 | -166 | 0 | 0 | 0 | 0 | 112.6 | S3 | V1-S3 PolarHBondContact O-N 2.88Š| |||
| 2 | G | 38.7 | Very low | 43.4 | Very low | 54 Ų | 54 | 104.3 Ų | 104.3 | 56% | 0.557 | 56% | 0.56 | S | S | * | * | trans | -64 | -25.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | S | 34.9 | Very low | 43.7 | Very low | 80 Ų | 80 | 99.6 Ų | 99.6 | 56% | 0.559 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66 | -47.7 | -171.3 | -133.8 | 0 | 0 | 0 | 0 | 114.1 | V1 I5 M6 E7 | V1-S3 PolarHBondContact O-N 2.88Å; S3-I5 PolarHBondContact O-N 3.12Å; S3-I5 VanDerWaalsContact O-N 3.15Å; S3-M6 WeakPolarHBondContact O-CB 3.32Å; S3-M6 PolarHBondContact O-N 3.01Å; S3-M6 VanDerWaalsContact O-N 3.08Å; S3-E7 PolarHBondContact O-N 3.25Å |
| 4 | L | 40 | Very low | 44 | Very low | 125 Ų | 125 | 100.3 Ų | 100.3 | 65% | 0.654 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -26.7 | -172.7 | -67.7 | 168.5 | 0 | 0 | 0 | 113.4 | E8 | L4-E8 PolarHBondContact O-N 3.21Å |
| 5 | I | 43.7 | Very low | 44.1 | Very low | 103 Ų | 103 | 101.1 Ų | 101.1 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.5 | -39.2 | 178.4 | -58.4 | 172.3 | 0 | 0 | 0 | 110.4 | S3 D9 | S3-I5 PolarHBondContact O-N 3.12Å; S3-I5 VanDerWaalsContact O-N 3.15Å; I5-D9 PolarHBondContact O-N 3.33Å |
| 6 | M | 40.1 | Very low | 44.1 | Very low | 133 Ų | 133 | 98.5 Ų | 98.5 | 66% | 0.655 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.9 | -40.7 | 179.1 | -65 | -74.9 | -68.3 | 0 | 0 | 111.6 | S3 I10 | S3-M6 WeakPolarHBondContact O-CB 3.32Å; S3-M6 PolarHBondContact O-N 3.01Å; S3-M6 VanDerWaalsContact O-N 3.08Å; M6-I10 WeakPolarHBondContact O-CD1 3.47Å; M6-I10 VanDerWaalsContact O-CG1 3.32Å; M6-I10 WeakPolarHBondContact O-CG1 3.45Å; M6-I10 PolarHBondContact O-N 3.25Å |
| 7 | E | 41.6 | Very low | 43.5 | Very low | 113 Ų | 113 | 98.5 Ų | 98.5 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.4 | -39.4 | -178 | -70.6 | 165.8 | -173.8 | 0 | 0 | 112.1 | S3 Y11 | S3-E7 PolarHBondContact O-N 3.25Å; E7-Y11 PolarHBondContact O-N 3.15Å |
| 8 | E | 47.2 | Very low | 43.3 | Very low | 100 Ų | 100 | 98.6 Ų | 98.6 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 174.3 | -76.7 | -168.5 | 170 | 0 | 0 | 113.5 | L4 Y11 L12 R245 | L4-E8 PolarHBondContact O-N 3.21Å; E8-Y11 WeakPolarHBondContact O-CB 3.47Å; E8-Y11 PolarHBondContact O-N 3.08Å; E8-L12 PolarHBondContact O-N 3.29Å; E8-R245 IonicContact OE1-NH1 3.77Å; E8-R245 IonicContact OE2-CZ 3.7Å; E8-R245 IonicContact OE2-NH1 3.59Å; E8-R245 PolarHBondContact OE2-NH1 3.05Å; E8-R245 IonicContact OE2-NH2 3.97Å; E8-R245 PolarHBondContact OE2-NH2 3.26Å |
| 9 | D | 47.4 | Very low | 43.3 | Very low | 69 Ų | 69 | 101.9 Ų | 101.9 | 37% | 0.369 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.1 | -32.8 | -177.6 | -81.5 | -10.7 | 0 | 0 | 0 | 111.7 | I5 L12 D13 R245 | I5-D9 PolarHBondContact O-N 3.33Å; D9-L12 PolarHBondContact O-N 3.14Å; D9-D13 PolarHBondContact O-N 3.13Å; D9-R245 IonicContact OD1-NH2 2.71Å |
| 10 | I | 47 | Very low | 43.3 | Very low | 108 Ų | 108 | 101.8 Ų | 101.8 | 55% | 0.554 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.4 | -44.6 | 169.1 | -68.5 | 164.6 | 0 | 0 | 0 | 110.6 | M6 L12 D13 L14 | M6-I10 WeakPolarHBondContact O-CD1 3.47Å; M6-I10 VanDerWaalsContact O-CG1 3.32Å; M6-I10 WeakPolarHBondContact O-CG1 3.45Å; M6-I10 PolarHBondContact O-N 3.25Å; I10-L12 PolarHBondContact O-N 3.33Å; I10-D13 PolarHBondContact O-N 2.85Å; I10-L14 HydrophobicContact CG2-CD1 4.29Å; I10-L14 PolarHBondContact O-N 3.44Å |
| 11 | Y | 48 | Very low | 43 | Very low | 158 Ų | 158 | 104.7 Ų | 104.7 | 62% | 0.62 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.4 | -32.1 | 177.6 | -138 | -102.5 | 0 | 0 | 0 | 112.1 | E7 E8 F15 | E7-Y11 PolarHBondContact O-N 3.15Å; E8-Y11 WeakPolarHBondContact O-CB 3.47Å; E8-Y11 PolarHBondContact O-N 3.08Å; Y11-F15 HydrophobicContact CD1-CD2 4.29Å; Y11-F15 AromaticContact CD1-CE2 3.89Å; Y11-F15 HydrophobicContact CD1-CE2 3.89Å; Y11-F15 AromaticContact CE1-CE2 3.8Å; Y11-F15 HydrophobicContact CE1-CE2 3.8Å; Y11-F15 WeakPolarHBondContact O-CD2 3.47Å |
| 12 | L | 45.1 | Very low | 42.2 | Very low | 33 Ų | 33 | 105 Ų | 105 | 17% | 0.173 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -76.3 | -37.1 | -179.8 | -83.4 | 166.7 | 0 | 0 | 0 | 114.6 | E8 D9 I10 F15 L16 L242 | E8-L12 PolarHBondContact O-N 3.29Å; D9-L12 PolarHBondContact O-N 3.14Å; I10-L12 PolarHBondContact O-N 3.33Å; L12-F15 PolarHBondContact O-N 3.21Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L242 HydrophobicContact CD2-CD1 3.95Å |
| 13 | D | 47.6 | Very low | 41.7 | Very low | 44 Ų | 44 | 109.3 Ų | 109.3 | 24% | 0.235 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -74 | -32 | 174.9 | -76.6 | -41.6 | 0 | 0 | 0 | 111.6 | D9 I10 F15 L16 D17 R249 K253 | D9-D13 PolarHBondContact O-N 3.13Å; I10-D13 PolarHBondContact O-N 2.85Å; D13-F15 PolarHBondContact O-N 3.49Å; D13-L16 WeakPolarHBondContact O-CA 3.44Å; D13-L16 PolarHBondContact O-N 2.79Å; D13-D17 PolarHBondContact O-N 3.26Å; D13-D17 VanDerWaalsContact O-N 3.13Å; D13-R249 IonicContact OD1-CZ 2.76Å; D13-R249 IonicContact OD1-NE 2.83Å; D13-R249 IonicContact OD1-NH2 3.39Å; D13-R249 PolarHBondContact OD1-NH2 3.18Å; D13-R249 IonicContact OD2-CZ 3.86Å; D13-R249 IonicContact OD2-NH2 3.26Å; D13-R249 PolarHBondContact OD2-NH2 3.23Å; D13-K253 IonicContact OD1-NZ 2.79Å; D13-K253 PolarHBondContact OD1-NZ 3.48Å |
| 14 | L | 47.5 | Very low | 41.5 | Very low | 109 Ų | 109 | 113 Ų | 113 | 57% | 0.571 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -55.1 | -32 | 169.3 | -85.2 | 165 | 0 | 0 | 0 | 113.7 | I10 L16 | I10-L14 HydrophobicContact CG2-CD1 4.29Å; I10-L14 PolarHBondContact O-N 3.44Å; L14-L16 VanDerWaalsContact C-N 3.32Å |
| 15 | F | 45.3 | Very low | 41.2 | Very low | 113 Ų | 113 | 115.6 Ų | 115.6 | 50% | 0.496 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.9 | -1.3 | 174.2 | -88.2 | -70.1 | 0 | 0 | 0 | 114.4 | Y11 L12 D13 | Y11-F15 HydrophobicContact CD1-CD2 4.29Å; Y11-F15 AromaticContact CD1-CE2 3.89Å; Y11-F15 HydrophobicContact CD1-CE2 3.89Å; Y11-F15 AromaticContact CE1-CE2 3.8Å; Y11-F15 HydrophobicContact CE1-CE2 3.8Å; Y11-F15 WeakPolarHBondContact O-CD2 3.47Å; L12-F15 PolarHBondContact O-N 3.21Å; D13-F15 PolarHBondContact O-N 3.49Å |
| 16 | L | 44.4 | Very low | 40.8 | Very low | 59 Ų | 59 | 116.2 Ų | 116.2 | 31% | 0.309 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.2 | -28.6 | -179.9 | -67.9 | 173.6 | 0 | 0 | 0 | 113.2 | L12 D13 L14 P18 Y19 R249 | L12-L16 WeakPolarHBondContact O-CG 3.34Å; D13-L16 WeakPolarHBondContact O-CA 3.44Å; D13-L16 PolarHBondContact O-N 2.79Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L16-P18 VanDerWaalsContact C-CD 3.44Å; L16-Y19 PolarHBondContact O-N 2.64Å; L16-Y19 VanDerWaalsContact O-N 3.14Å; L16-R249 HydrophobicContact CD1-CG 4.49Å |
| 17 | D | 34.2 | Very low | 40.5 | Very low | 99 Ų | 99 | 115.6 Ų | 115.6 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -56.5 | -35.9 | 178.7 | -68.8 | -19.4 | 0 | 0 | 0 | 116.1 | D13 Y19 T20 | D13-D17 PolarHBondContact O-N 3.26Å; D13-D17 VanDerWaalsContact O-N 3.13Å; D17-Y19 PolarHBondContact O-N 3.27Å; D17-T20 PolarHBondContact O-N 3.03Å; D17-T20 VanDerWaalsContact O-N 3.12Å; D17-T20 PolarHBondContact O-OG1 3.3Å |
| 18 | P | 39.4 | Very low | 40 | Very low | 99 Ų | 99 | 115.2 Ų | 115.2 | 64% | 0.643 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -70.1 | 2.4 | 176.7 | 28.8 | -36 | 0 | 0 | 0 | 114.4 | L16 | L16-P18 VanDerWaalsContact C-CD 3.44Š|
| 19 | Y | 44 | Very low | 39 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -97.7 | 11.9 | 171.1 | -62.3 | -71.8 | 0 | 0 | 0 | 113.7 | L16 D17 | L16-Y19 PolarHBondContact O-N 2.64Å; L16-Y19 VanDerWaalsContact O-N 3.14Å; D17-Y19 PolarHBondContact O-N 3.27Å |
| 20 | T | 43.5 | Very low | 38.3 | Very low | 98 Ų | 98 | 120.3 Ų | 120.3 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -112.7 | 142.5 | 164 | 32.2 | 0 | 0 | 0 | 0 | 110.9 | D17 | D17-T20 PolarHBondContact O-N 3.03Å; D17-T20 VanDerWaalsContact O-N 3.12Å; D17-T20 PolarHBondContact O-OG1 3.3Å |
| 21 | I | 37 | Very low | 37.4 | Very low | 164 Ų | 164 | 124 Ų | 124 | 84% | 0.841 | 65% | 0.654 | S | S | * | * | trans | 76.8 | 86.2 | 178.3 | -45.6 | 168.3 | 0 | 0 | 0 | 115.1 | ||||
| 22 | Q | 29.3 | Very low | 36.6 | Very low | 181 Ų | 181 | 123.2 Ų | 123.2 | 85% | 0.846 | 66% | 0.66 | S | S | * | * | -172.3 | 105.6 | 115.9 | -105.6 | 180 | -11.6 | 0 | 0 | 110.9 | |||||
| 23 | D | 29.6 | Very low | 35.8 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 78% | 0.775 | 69% | 0.694 | S | S | * | * | trans | -124.9 | 117.7 | 158.1 | -95.6 | -54.2 | 0 | 0 | 0 | 105.5 | ||||
| 24 | D | 30 | Very low | 34.9 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 84% | 0.84 | 72% | 0.719 | S | S | * | * | trans | -144.9 | 101.4 | 173.5 | -118.7 | -32.3 | 0 | 0 | 0 | 108.4 | ||||
| 25 | F | 33.9 | Very low | 34.6 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | -105 | 122.6 | 178.4 | -84.7 | -92.3 | 0 | 0 | 0 | 109.9 | ||||
| 26 | P | 34 | Very low | 33.8 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 144.6 | 170.4 | 30 | -33.6 | 0 | 0 | 0 | 110.8 | ||
| 27 | P | 34.4 | Very low | 33.1 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 153.3 | -175.3 | 31.9 | -36.2 | 0 | 0 | 0 | 113 | ||
| 28 | A | 31.9 | Very low | 33.4 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 133.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 29 | M | 26.6 | Very low | 32.9 | Very low | 175 Ų | 175 | 140 Ų | 140 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | trans | -136.9 | 139.8 | 169.2 | -94.6 | -84.5 | -80.9 | 0 | 0 | 108.7 | ||||
| 30 | S | 31.7 | Very low | 32.2 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -114.3 | 148.4 | -177.1 | 55 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 31 | Q | 28 | Very low | 31.6 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -166.5 | 167.1 | 145 | -112.6 | 160.9 | 72.9 | 0 | 0 | 112.5 | ||||
| 32 | L | 31.7 | Very low | 31.2 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -92.4 | 156.7 | -176.2 | -59.3 | 82 | 0 | 0 | 0 | 110.9 | ||||
| 33 | F | 28.5 | Very low | 31.2 | Very low | 203 Ų | 203 | 136.5 Ų | 136.5 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | 171.9 | 146.3 | 109.5 | -101 | -77.7 | 0 | 0 | 0 | 111.5 | |||||
| 34 | S | 28.9 | Very low | 31.1 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -114.2 | 159.3 | 169.1 | -50.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 35 | P | 41.2 | Very low | 31.6 | Very low | 136 Ų | 136 | 135 Ų | 135 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | -151.7 | 174.1 | 102.6 | 38.6 | -22.1 | 0 | 0 | 0 | 115.3 | |||||
| 36 | G | 27.8 | Very low | 31.3 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 124 | 44.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 37 | V | 30.4 | Very low | 31.2 | Very low | 130 Ų | 130 | 133 Ų | 133 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | trans | 0.5 | 133.7 | 132.6 | 172.8 | 0 | 0 | 0 | 0 | 115.8 | L39 | V37-L39 HydrophobicContact CG1-CD1 4.36Š| ||
| 38 | P | 40.2 | Very low | 31.5 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | -142.2 | 165.7 | 62.2 | 30 | -6.8 | 0 | 0 | 0 | 120.8 | |||||
| 39 | L | 29.3 | Very low | 31.2 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -10.7 | 152.7 | 159.2 | -81.1 | 67 | 0 | 0 | 0 | 119.3 | V37 | V37-L39 HydrophobicContact CG1-CD1 4.36Š| ||
| 40 | D | 29.3 | Very low | 31.2 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | -158.2 | 156.3 | 58 | -117 | -24.2 | 0 | 0 | 0 | 119 | |||||
| 41 | M | 30 | Very low | 30.9 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | trans | 46.9 | 109.4 | 145 | -61.3 | -87.6 | 88.5 | 0 | 0 | 125.1 | ||||
| 42 | H | 29.5 | Very low | 30.7 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | 86.7 | 137 | 121.8 | -76.8 | -28.6 | 0 | 0 | 0 | 126.4 | |||||
| 43 | S | 27.4 | Very low | 30.5 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | 74.5 | 107.8 | 145.3 | 46.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 44 | L | 28.8 | Very low | 31 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | trans | -64.8 | 169 | 138.6 | -113.1 | 79.2 | 0 | 0 | 0 | 110.5 | ||||
| 45 | P | 41 | Very low | 30.8 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | cis | -155 | -168.9 | 48 | 42.5 | -19.3 | 0 | 0 | 0 | 119 | ||||
| 46 | S | 27.2 | Very low | 30.2 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | 72.6 | 118.5 | 147.5 | 56 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 47 | N | 31.8 | Very low | 29.9 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -76 | 160.6 | 147.9 | -151 | 23 | 0 | 0 | 0 | 108.9 | ||||
| 48 | P | 39.8 | Very low | 29.6 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | -153.2 | 156.6 | 89.6 | 39.7 | -21.3 | 0 | 0 | 0 | 118.3 | |||||
| 49 | E | 26.7 | Very low | 29 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 40.8 | 115.8 | 139.8 | -59.7 | -164.7 | 155.2 | 0 | 0 | 124 | ||||
| 50 | T | 26.9 | Very low | 28.9 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | 68.5 | 117.4 | 120.5 | -48.7 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 51 | V | 25.4 | Very low | 28.9 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | -169.3 | 151.9 | 126.7 | 135.3 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 52 | F | 23.2 | Very low | 28.7 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 75% | 0.746 | 77% | 0.773 | S | S | * | * | trans | -73.5 | 172.2 | 175.5 | -74.2 | -107.4 | 0 | 0 | 0 | 111.5 | ||||
| 53 | H | 27.3 | Very low | 28.9 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | cis | -161.9 | -157.7 | 23.6 | -131.5 | -30.1 | 0 | 0 | 0 | 108.6 | ||||
| 54 | P | 38.1 | Very low | 29.1 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 56% | 0.558 | 77% | 0.768 | S | S | * | * | -117.2 | -178.8 | -93.6 | 22.4 | 2.4 | 0 | 0 | 0 | 116.2 | |||||
| 55 | H | 25.8 | Very low | 29.3 | Very low | 164 Ų | 164 | 132 Ų | 132 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 123.1 | 135.4 | 141.1 | -73.6 | -70 | 0 | 0 | 0 | 121 | ||||
| 56 | L | 27.4 | Very low | 29.4 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 90% | 0.895 | 74% | 0.744 | S | S | * | * | trans | 71.5 | 118.7 | 144.5 | -89.9 | 151.6 | 0 | 0 | 0 | 122 | ||||
| 57 | G | 23.2 | Very low | 29.8 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | trans | 111.8 | 77.7 | 130.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 58 | G | 24.1 | Very low | 29.7 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | trans | -163 | 62.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K60 | G58-K60 PolarHBondContact O-N 3.26Š| ||
| 59 | V | 26.3 | Very low | 29.6 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 89% | 0.885 | 73% | 0.729 | S | S | * | * | trans | -69.2 | 111.6 | -179.7 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 60 | K | 28 | Very low | 30.1 | Very low | 195 Ų | 195 | 124.9 Ų | 124.9 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | trans | -103.7 | 124.4 | 161.6 | -75.5 | -175.1 | 175.1 | 179.6 | 0 | 109.7 | G58 A62 | G58-K60 PolarHBondContact O-N 3.26Å; K60-A62 PolarHBondContact O-N 2.82Å | ||
| 61 | K | 28.5 | Very low | 30.8 | Very low | 208 Ų | 208 | 122.1 Ų | 122.1 | 90% | 0.904 | 71% | 0.705 | S | S | * | * | trans | -63.7 | 114 | 168.4 | -82.4 | -178.3 | 173 | 178 | 0 | 109 | ||||
| 62 | A | 26.9 | Very low | 31.3 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | trans | -86.2 | 107.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | K60 T64 | K60-A62 PolarHBondContact O-N 2.82Å; A62-T64 VanDerWaalsContact C-N 3.32Å; A62-T64 PolarHBondContact O-N 3.21Å | ||
| 63 | S | 32.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -71.9 | 89.5 | 163.7 | 49.9 | 0 | 0 | 0 | 0 | 108.7 | D65 | S63-D65 PolarHBondContact O-N 3.37Š| ||
| 64 | T | 32 | Very low | 32.4 | Very low | 103 Ų | 103 | 116.3 Ų | 116.3 | 63% | 0.632 | 68% | 0.681 | S | S | * | * | trans | -80.1 | 94.9 | 176.4 | 33.8 | 0 | 0 | 0 | 0 | 110.6 | A62 | A62-T64 VanDerWaalsContact C-N 3.32Å; A62-T64 PolarHBondContact O-N 3.21Å | ||
| 65 | D | 32.8 | Very low | 32.1 | Very low | 131 Ų | 131 | 117 Ų | 117 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | -54.6 | 144.5 | 169.6 | -79.8 | -45.5 | 0 | 0 | 0 | 111.4 | S63 S67 | S63-D65 PolarHBondContact O-N 3.37Å; D65-S67 PolarHBondContact O-N 3.23Å | ||
| 66 | F | 43.4 | Very low | 32.6 | Very low | 78 Ų | 78 | 115.3 Ų | 115.3 | 34% | 0.342 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -74.6 | 10.7 | -173.9 | -79.7 | -109.9 | 0 | 0 | 0 | 114.2 | S68 K319 | F66-S68 PolarHBondContact O-N 3.33Å; F66-K319 HydrophobicContact CE1-CD 3.62Å; F66-K319 HydrophobicContact CE1-CG 4.15Å; F66-K319 HydrophobicContact CZ-CD 3.67Å; F66-K319 HydrophobicContact CZ-CG 4.1Å; F66-K319 VanDerWaalsContact CZ-NZ 3.25Å |
| 67 | S | 35.3 | Very low | 32.9 | Very low | 113 Ų | 113 | 115.3 Ų | 115.3 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 9.8 | -166.4 | 63.6 | 0 | 0 | 0 | 0 | 116.2 | D65 | D65-S67 PolarHBondContact O-N 3.23Š|
| 68 | S | 30.7 | Very low | 33.6 | Very low | 107 Ų | 107 | 115.6 Ų | 115.6 | 75% | 0.748 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.7 | 27.9 | -174.3 | 73.7 | 0 | 0 | 0 | 0 | 114.5 | F66 D70 | F66-S68 PolarHBondContact O-N 3.33Å; S68-D70 PolarHBondContact O-N 2.84Å |
| 69 | V | 37.8 | Very low | 34.1 | Very low | 68 Ų | 68 | 116.4 Ų | 116.4 | 41% | 0.412 | 65% | 0.649 | S | S | . | * | trans | -76.8 | 108.8 | 160.4 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | L71 | V69-L71 HydrophobicContact CG1-CD2 3.92Å; V69-L71 HydrophobicContact CG1-CG 4.44Å; V69-L71 PolarHBondContact O-N 3Å | ||
| 70 | D | 37.1 | Very low | 34.4 | Very low | 125 Ų | 125 | 117.2 Ų | 117.2 | 67% | 0.668 | 64% | 0.644 | S | S | * | * | trans | -71.6 | 121.2 | 174.2 | -173.7 | 16.6 | 0 | 0 | 0 | 109.8 | S68 S72 | S68-D70 PolarHBondContact O-N 2.84Å; D70-S72 VanDerWaalsContact OD1-CB 3.25Å; D70-S72 WeakPolarHBondContact OD1-CB 3.41Å; D70-S72 PolarHBondContact OD1-N 3.29Å; D70-S72 PolarHBondContact OD1-OG 3.15Å; D70-S72 WeakPolarHBondContact OD2-CB 3.39Å; D70-S72 PolarHBondContact OD2-OG 2.91Å | ||
| 71 | L | 40.3 | Very low | 34.6 | Very low | 56 Ų | 56 | 116 Ų | 116 | 29% | 0.293 | 64% | 0.641 | S | S | . | * | trans | -105.1 | 16.7 | 179.4 | -63.2 | 177.6 | 0 | 0 | 0 | 111.9 | V69 F73 L74 V269 L313 | V69-L71 HydrophobicContact CG1-CD2 3.92Å; V69-L71 HydrophobicContact CG1-CG 4.44Å; V69-L71 PolarHBondContact O-N 3Å; L71-F73 PolarHBondContact O-N 3.42Å; L71-L74 HydrophobicContact CB-CD1 4.23Å; L71-L74 HydrophobicContact CB-CG 4.5Å; L71-L74 PolarHBondContact O-N 2.87Å; L71-L74 VanDerWaalsContact O-N 3.11Å; L71-V269 HydrophobicContact CD1-CG1 4.25Å; L71-L313 HydrophobicContact CD2-CD1 4.16Å | ||
| 72 | S | 36 | Very low | 34.9 | Very low | 94 Ų | 94 | 112.8 Ų | 112.8 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -13.5 | 174.7 | 62.1 | 0 | 0 | 0 | 0 | 115.2 | D70 | D70-S72 VanDerWaalsContact OD1-CB 3.25Å; D70-S72 WeakPolarHBondContact OD1-CB 3.41Å; D70-S72 PolarHBondContact OD1-N 3.29Å; D70-S72 PolarHBondContact OD1-OG 3.15Å; D70-S72 WeakPolarHBondContact OD2-CB 3.39Å; D70-S72 PolarHBondContact OD2-OG 2.91Å |
| 73 | F | 39.7 | Very low | 35.3 | Very low | 186 Ų | 186 | 119 Ų | 119 | 82% | 0.816 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -2.1 | 178.6 | -154.5 | -97.8 | 0 | 0 | 0 | 114.5 | L71 | L71-F73 PolarHBondContact O-N 3.42Š|
| 74 | L | 34.1 | Very low | 35.1 | Very low | 64 Ų | 64 | 121.2 Ų | 121.2 | 34% | 0.335 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -74.1 | 130.4 | 171.6 | -64.7 | 179.3 | 0 | 0 | 0 | 110 | L71 T323 | L71-L74 HydrophobicContact CB-CD1 4.23Å; L71-L74 HydrophobicContact CB-CG 4.5Å; L71-L74 PolarHBondContact O-N 2.87Å; L71-L74 VanDerWaalsContact O-N 3.11Å; L74-T323 HydrophobicContact CD1-CG2 4.27Å; L74-T323 HydrophobicContact CD2-CG2 4.09Å |
| 75 | P | 32.1 | Very low | 35.1 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 65% | 0.649 | 65% | 0.654 | S | S | * | * | trans | -69.9 | 136.2 | -174.9 | 27.8 | -34.7 | 0 | 0 | 0 | 112.6 | E77 | P75-E77 HydrophobicContact CB-CG 4.35Å; P75-E77 PolarHBondContact O-N 2.66Å | ||
| 76 | D | 36 | Very low | 34.9 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 69% | 0.69 | 66% | 0.659 | S | S | * | * | trans | -79.8 | 49.8 | -174.8 | -118.8 | -21.4 | 0 | 0 | 0 | 113.1 | L78 T79 | D76-L78 PolarHBondContact O-N 2.92Å; D76-T79 PolarHBondContact O-N 2.79Å; D76-T79 VanDerWaalsContact O-N 3.12Å; D76-T79 PolarHBondContact O-OG1 3.16Å | ||
| 77 | E | 33.4 | Very low | 34.3 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 79% | 0.794 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -7.5 | -176.6 | -67.6 | -170.4 | 136.3 | 0 | 0 | 114.2 | P75 T79 | P75-E77 HydrophobicContact CB-CG 4.35Å; P75-E77 PolarHBondContact O-N 2.66Å; E77-T79 VanDerWaalsContact C-N 3.3Å; E77-T79 PolarHBondContact O-N 2.81Å |
| 78 | L | 37.9 | Very low | 33.9 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 47% | 0.466 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | 4.6 | 174.3 | -67.8 | 174.9 | 0 | 0 | 0 | 114.6 | D76 Q266 | D76-L78 PolarHBondContact O-N 2.92Å; L78-Q266 HydrophobicContact CD1-CB 4.17Å |
| 79 | T | 34.7 | Very low | 33.6 | Very low | 90 Ų | 90 | 128.2 Ų | 128.2 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -106.4 | -15.3 | -178.6 | 57 | 0 | 0 | 0 | 0 | 115.7 | D76 E77 E81 | D76-T79 PolarHBondContact O-N 2.79Å; D76-T79 VanDerWaalsContact O-N 3.12Å; D76-T79 PolarHBondContact O-OG1 3.16Å; E77-T79 VanDerWaalsContact C-N 3.3Å; E77-T79 PolarHBondContact O-N 2.81Å; T79-E81 PolarHBondContact O-N 3.32Å |
| 80 | Q | 32.5 | Very low | 32.9 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -71.5 | -30.8 | -171.7 | -152 | 76.3 | -9 | 0 | 0 | 114 | N82 | Q80-N82 PolarHBondContact O-N 2.91Š|
| 81 | E | 32 | Very low | 32.5 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 27.9 | -164.5 | -155.2 | -169.7 | -148.5 | 0 | 0 | 115.3 | T79 | T79-E81 PolarHBondContact O-N 3.32Š|
| 82 | N | 34.7 | Very low | 31.8 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | 19.9 | -173.6 | -112.4 | -118.2 | 0 | 0 | 0 | 115.7 | Q80 | Q80-N82 PolarHBondContact O-N 2.91Š|
| 83 | R | 35.7 | Very low | 31.3 | Very low | 214 Ų | 214 | 142.1 Ų | 142.1 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -100.1 | -35.9 | 171.3 | -104.9 | -178.8 | 171.5 | 176.9 | -2.5 | 114.7 | Q85 | R83-Q85 PolarHBondContact O-N 3.22Å; R83-Q85 VanDerWaalsContact O-N 3.07Å |
| 84 | D | 29.5 | Very low | 30.6 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 59.8 | -167.7 | -56.6 | -37.7 | 0 | 0 | 0 | 113 | ||
| 85 | Q | 31 | Very low | 30.2 | Very low | 189 Ų | 189 | 144.7 Ų | 144.7 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.3 | 11.1 | 173 | -132.6 | 157.9 | 96.2 | 0 | 0 | 116.4 | R83 | R83-Q85 PolarHBondContact O-N 3.22Å; R83-Q85 VanDerWaalsContact O-N 3.07Å |
| 86 | T | 28.7 | Very low | 29.9 | Very low | 130 Ų | 130 | 149 Ų | 149 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -134.8 | 43.5 | -178.7 | 59.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 87 | V | 30.6 | Very low | 29.3 | Very low | 140 Ų | 140 | 148 Ų | 148 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -137.9 | 72.5 | 163.3 | -168 | 0 | 0 | 0 | 0 | 111 | ||||
| 88 | T | 26.7 | Very low | 28.8 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -153.3 | 99.6 | 161.6 | -30.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 89 | G | 23.9 | Very low | 28.2 | Very low | 67 Ų | 67 | 151.9 Ų | 151.9 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | 166.3 | 101.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 90 | N | 25.2 | Very low | 27.8 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | 58.7 | 97.3 | 158.8 | -57.4 | -5.3 | 0 | 0 | 0 | 119.1 | ||||
| 91 | K | 27 | Very low | 27.5 | Very low | 212 Ų | 212 | 156 Ų | 156 | 92% | 0.922 | 82% | 0.823 | S | S | * | * | -155.2 | 147.2 | 110.7 | -122.2 | -176.8 | 178.4 | -171.8 | 0 | 113.3 | |||||
| 92 | L | 26.7 | Very low | 27.2 | Very low | 167 Ų | 167 | 154.4 Ų | 154.4 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -110.4 | 159.3 | 171.4 | -95.2 | 160.5 | 0 | 0 | 0 | 109.3 | ||||
| 93 | A | 24.8 | Very low | 26.9 | Very low | 92 Ų | 92 | 158.1 Ų | 158.1 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | 64.3 | 141.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 94 | S | 25.7 | Very low | 26.4 | Very low | 120 Ų | 120 | 156.1 Ų | 156.1 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | cis | -136.3 | 168.3 | 21.1 | -57.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 95 | E | 24.9 | Very low | 26.4 | Very low | 185 Ų | 185 | 154.8 Ų | 154.8 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -83.5 | 152.3 | 174.5 | -60.7 | 161.7 | 114.7 | 0 | 0 | 112.4 | ||||
| 96 | E | 25.1 | Very low | 26.1 | Very low | 189 Ų | 189 | 153.3 Ų | 153.3 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | 159.2 | 161.8 | 119.3 | -87.2 | -145 | 103.3 | 0 | 0 | 114.9 | |||||
| 97 | S | 24.3 | Very low | 25.9 | Very low | 110 Ų | 110 | 153.9 Ų | 153.9 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | 77.2 | 75.6 | 154.1 | -141.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 98 | C | 22.9 | Very low | 25.6 | Very low | 110 Ų | 110 | 153.8 Ų | 153.8 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -13.5 | 141.6 | 131.6 | -51.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 99 | R | 26.1 | Very low | 25.4 | Very low | 230 Ų | 230 | 153.9 Ų | 153.9 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | 173.4 | 130.3 | 99.8 | -102.3 | 175.4 | 179.6 | 175.8 | 1.7 | 117.5 | |||||
| 100 | T | 25.4 | Very low | 26.1 | Very low | 107 Ų | 107 | 155.5 Ų | 155.5 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | trans | 39.1 | 125.5 | 139.8 | 58.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 101 | R | 26.2 | Very low | 26.2 | Very low | 233 Ų | 233 | 154.4 Ų | 154.4 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | 161.1 | 158.2 | 116.2 | -89.6 | 171.6 | 178.7 | 165.2 | 1 | 110.5 | |||||
| 102 | D | 26.6 | Very low | 26.3 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | cis | -177.3 | 162.6 | -38.5 | -118.8 | -54.2 | 0 | 0 | 0 | 108.4 | ||||
| 103 | R | 26.8 | Very low | 26.3 | Very low | 219 Ų | 219 | 151 Ų | 151 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | 68.5 | 131.8 | 178.4 | -64.2 | 178.8 | 152.7 | 177.2 | -8.4 | 116.4 | ||||
| 104 | Q | 27 | Very low | 26.4 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | cis | 87.3 | 113.6 | 33.4 | -69.1 | -175.6 | -39.7 | 0 | 0 | 116.3 | ||||
| 105 | S | 28.8 | Very low | 26.7 | Very low | 128 Ų | 128 | 150.3 Ų | 150.3 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | -150.9 | 160.9 | 134.9 | 44.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 106 | Q | 25.1 | Very low | 26.8 | Very low | 159 Ų | 159 | 149.7 Ų | 149.7 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -149.5 | -177.9 | -157.8 | -165.7 | 177.4 | -6.1 | 0 | 0 | 111.5 | ||||
| 107 | L | 24.6 | Very low | 26.9 | Very low | 142 Ų | 142 | 147 Ų | 147 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 93.1 | 105.3 | 174.8 | -50.3 | 172.7 | 0 | 0 | 0 | 112.8 | ||||
| 108 | Q | 23.8 | Very low | 27.1 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | 80.4 | 109.3 | 67.4 | -72.6 | 171.3 | -105.8 | 0 | 0 | 112.4 | |||||
| 109 | L | 22.6 | Very low | 27.4 | Very low | 155 Ų | 155 | 151.6 Ų | 151.6 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | 78.7 | 156.5 | 70.9 | -77.2 | -178.1 | 0 | 0 | 0 | 113 | |||||
| 110 | P | 39 | Very low | 27.4 | Very low | 101 Ų | 101 | 147.7 Ų | 147.7 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | cis | -109.3 | -144.5 | -4.4 | 42 | -29.2 | 0 | 0 | 0 | 110.7 | ||||
| 111 | D | 26.3 | Very low | 27.7 | Very low | 141 Ų | 141 | 147.4 Ų | 147.4 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | cis | -163.6 | 166.5 | -1 | -115.2 | -26.4 | 0 | 0 | 0 | 106.1 | ||||
| 112 | E | 28.7 | Very low | 27.7 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | cis | -158.7 | -173.9 | -16.6 | -146.3 | -105.1 | 84.3 | 0 | 0 | 106.9 | ||||
| 113 | H | 28 | Very low | 27.9 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | 64.5 | 119.7 | 172 | -61.3 | -12.3 | 0 | 0 | 0 | 118 | ||||
| 114 | G | 27.5 | Very low | 28 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | cis | 171 | 166.1 | -6.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 115 | S | 31.8 | Very low | 28.7 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | 70.7 | 91.3 | 168.1 | -60.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 116 | E | 25.8 | Very low | 28.6 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -66.8 | 141.2 | 165 | -67.5 | -179.3 | 104.4 | 0 | 0 | 113.3 | ||||
| 117 | L | 27.7 | Very low | 29.8 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | 66.8 | 129.6 | 102.8 | -54.2 | 173.6 | 0 | 0 | 0 | 119 | |||||
| 118 | N | 29.3 | Very low | 30 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | 31.8 | 138.7 | 137.2 | -58.6 | -27 | 0 | 0 | 0 | 121.7 | ||||
| 119 | L | 28.4 | Very low | 30.2 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | -168.2 | 156.4 | 113.2 | -103.1 | 165.7 | 0 | 0 | 0 | 112.6 | |||||
| 120 | N | 26.7 | Very low | 30.4 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -91.1 | 153 | 175.2 | -67.3 | -23.4 | 0 | 0 | 0 | 111.2 | ||||
| 121 | S | 30.8 | Very low | 29.8 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | 158.2 | 146.1 | 111.5 | -68.8 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 122 | N | 27.1 | Very low | 29.7 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 66.6 | 114.9 | 148.6 | -60 | -11.9 | 0 | 0 | 0 | 122.2 | ||||
| 123 | S | 29.6 | Very low | 29.5 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | -165 | 156.9 | 112.6 | 20.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 124 | S | 29.1 | Very low | 29.5 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -124.4 | 173.7 | 178.1 | 70.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 125 | P | 41.5 | Very low | 29.5 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | -147.8 | 179 | 50.3 | 41 | -18.8 | 0 | 0 | 0 | 118.8 | |||||
| 126 | D | 27.1 | Very low | 29.6 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -77.1 | -171 | 170.6 | -87.7 | -54.1 | 0 | 0 | 0 | 114.6 | ||||
| 127 | P | 50 | Low | 29.8 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | cis | -139.2 | -173.8 | -41.7 | 37.8 | -20.2 | 0 | 0 | 0 | 113.8 | ||||
| 128 | Q | 29 | Very low | 29.9 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 153.5 | 114.6 | 138.9 | -84.3 | 169.8 | 31 | 0 | 0 | 111.6 | ||||
| 129 | S | 27.5 | Very low | 29.9 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | 91.5 | 155.5 | 90.4 | 96 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 130 | C | 26.7 | Very low | 30.1 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 72% | 0.716 | 76% | 0.764 | S | S | * | * | cis | -157.3 | 141.1 | -5.7 | -138.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 131 | L | 26.5 | Very low | 30.5 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 29.3 | 116.3 | 147.9 | -58.2 | 172.5 | 0 | 0 | 0 | 124.6 | ||||
| 132 | C | 25.4 | Very low | 30.3 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | 64.1 | 153.5 | 119.6 | -55.7 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 133 | F | 24.9 | Very low | 31.4 | Very low | 188 Ų | 188 | 129.4 Ų | 129.4 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | 72.6 | 146.2 | 156.4 | -60.2 | -53.3 | 0 | 0 | 0 | 118.6 | ||||
| 134 | D | 26.8 | Very low | 31.2 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | cis | -160.9 | -174.5 | -17.8 | -138.9 | -31.1 | 0 | 0 | 0 | 111.6 | ||||
| 135 | D | 28.1 | Very low | 31.3 | Very low | 154 Ų | 154 | 133 Ų | 133 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | 77.5 | 161.8 | 151.7 | -95.6 | -42.7 | 0 | 0 | 0 | 122.2 | ||||
| 136 | A | 33.1 | Very low | 31.4 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | -143.9 | 166 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 137 | H | 31.6 | Very low | 31.5 | Very low | 181 Ų | 181 | 131.6 Ų | 131.6 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | 179.3 | 147.1 | 144.9 | -105.9 | -71.9 | 0 | 0 | 0 | 114.4 | ||||
| 138 | S | 29.6 | Very low | 30.7 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | 66 | 147.8 | 153.8 | -74.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 139 | N | 28.9 | Very low | 30.9 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | cis | -154.3 | 170.4 | 12.4 | -108.6 | -22.8 | 0 | 0 | 0 | 112.4 | ||||
| 140 | Q | 32.1 | Very low | 31.1 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -100.1 | 164.7 | 171.3 | -149.7 | -178.3 | 6.8 | 0 | 0 | 111.2 | ||||
| 141 | P | 35.8 | Very low | 31.6 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | -148.6 | 176.6 | 100.1 | 39.3 | -22.4 | 0 | 0 | 0 | 116.1 | |||||
| 142 | S | 25.1 | Very low | 32.3 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | trans | -114.2 | -163.1 | 174.2 | -38.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 143 | P | 50.7 | Low | 32.9 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | cis | -130.2 | -176.9 | -24.5 | 41 | -25.8 | 0 | 0 | 0 | 113 | ||||
| 144 | E | 26.1 | Very low | 33.4 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -178.9 | 159 | 132.1 | -106 | 177.3 | -159.6 | 0 | 0 | 114.1 | ||||
| 145 | T | 31.1 | Very low | 33.7 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -153.4 | 160.7 | 175.6 | 53 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 146 | P | 42.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | cis | -155.4 | -162.1 | 47.8 | 41.2 | -16 | 0 | 0 | 0 | 118.1 | ||||
| 147 | N | 29.3 | Very low | 34.9 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | 100.3 | 95.8 | 157.1 | -62.6 | -21 | 0 | 0 | 0 | 121.2 | ||||
| 148 | S | 33.6 | Very low | 35.1 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | 63.3 | 134.7 | 119.5 | -54.9 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 149 | N | 34.2 | Very low | 35.6 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | 76.5 | 95.8 | 149.7 | -58.1 | -14.1 | 0 | 0 | 0 | 120.9 | ||||
| 150 | A | 31.3 | Very low | 36.4 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 88% | 0.884 | 78% | 0.782 | S | S | * | * | trans | -168.7 | 157.5 | 131.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 151 | L | 37.5 | Very low | 37.2 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -94 | 157 | 170.6 | -79.6 | 170.4 | 0 | 0 | 0 | 111.3 | ||
| 152 | P | 40 | Very low | 37.5 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 148.6 | -164.3 | 32.3 | -36.6 | 0 | 0 | 0 | 114.7 | ||
| 153 | V | 37.7 | Very low | 38.8 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -96 | 118.9 | 171.5 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 154 | A | 35.6 | Very low | 38.6 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | 20.9 | 99.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | I156 | A154-I156 PolarHBondContact O-N 3.34Š| ||
| 155 | L | 33 | Very low | 39.8 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | -88.2 | 98.7 | 158.6 | -167.3 | 80.3 | 0 | 0 | 0 | 110 | A157 | L155-A157 PolarHBondContact O-N 3.23Š| ||
| 156 | I | 45.2 | Very low | 40.7 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 86% | 0.862 | 78% | 0.779 | S | S | * | * | trans | -76.6 | 86 | 172 | 36.1 | 172 | 0 | 0 | 0 | 110.8 | A154 | A154-I156 PolarHBondContact O-N 3.34Š| ||
| 157 | A | 41.8 | Very low | 41.2 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 58% | 0.579 | 78% | 0.779 | S | S | * | * | trans | -70.2 | 130.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L155 M159 | L155-A157 PolarHBondContact O-N 3.23Å; A157-M159 PolarHBondContact O-N 2.81Å | ||
| 158 | S | 35.9 | Very low | 42.4 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -67.7 | 121.9 | -179.7 | -172.7 | 0 | 0 | 0 | 0 | 111.6 | M160 | S158-M160 PolarHBondContact O-N 3.03Å; S158-M160 VanDerWaalsContact O-N 3.13Å | ||
| 159 | M | 39.6 | Very low | 44 | Very low | 173 Ų | 173 | 127.8 Ų | 127.8 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | trans | -81.4 | 87.7 | 177.5 | -72.4 | -72.2 | 166.8 | 0 | 0 | 110.6 | A157 | A157-M159 PolarHBondContact O-N 2.81Š| ||
| 160 | M | 45.6 | Very low | 46.3 | Very low | 161 Ų | 161 | 123.5 Ų | 123.5 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 132.9 | 162.3 | -76.4 | -75.7 | 179.3 | 0 | 0 | 109.3 | S158 M162 | S158-M160 PolarHBondContact O-N 3.03Å; S158-M160 VanDerWaalsContact O-N 3.13Å; M160-M162 PolarHBondContact O-N 3.29Å |
| 161 | P | 50.2 | Low | 49.3 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 75% | 0.747 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 120.2 | 175.6 | 27.4 | -33 | 0 | 0 | 0 | 109.7 | N163 | P161-N163 PolarHBondContact O-N 2.87Š|
| 162 | M | 42.3 | Very low | 52 | Low | 182 Ų | 182 | 116.6 Ų | 116.6 | 90% | 0.897 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 119.1 | 168.3 | -74.7 | -71.4 | -175 | 0 | 0 | 108.7 | M160 | M160-M162 PolarHBondContact O-N 3.29Š|
| 163 | N | 51.3 | Low | 54.7 | Low | 147 Ų | 147 | 110.9 Ų | 110.9 | 79% | 0.786 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 134.7 | 163.5 | -88.2 | -16.4 | 0 | 0 | 0 | 108.2 | P161 V165 | P161-N163 PolarHBondContact O-N 2.87Å; N163-V165 PolarHBondContact O-N 2.82Å |
| 164 | P | 45.8 | Very low | 57.5 | Low | 116 Ų | 116 | 109.4 Ų | 109.4 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 126.3 | 173.1 | 26 | -32.9 | 0 | 0 | 0 | 108.8 | ||
| 165 | V | 51.7 | Low | 60.4 | Low | 116 Ų | 116 | 106.7 Ų | 106.7 | 70% | 0.703 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 132 | 169.8 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | N163 G167 | N163-V165 PolarHBondContact O-N 2.82Å; V165-G167 PolarHBondContact O-N 3.47Å |
| 166 | P | 51.2 | Low | 63.5 | Low | 102 Ų | 102 | 102.1 Ų | 102.1 | 66% | 0.662 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 134.7 | 178.9 | -29 | 35.9 | 0 | 0 | 0 | 111.3 | F168 | P166-F168 PolarHBondContact O-N 3.13Å; P166-F168 VanDerWaalsContact O-N 3.08Å |
| 167 | G | 51.6 | Low | 66 | Low | 65 Ų | 65 | 96 Ų | 96 | 67% | 0.67 | 57% | 0.567 | S | S | * | * | trans | -57.7 | 115.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V165 S169 | V165-G167 PolarHBondContact O-N 3.47Å; G167-S169 PolarHBondContact O-N 3.44Å | ||
| 168 | F | 55.6 | Low | 68.7 | Low | 169 Ų | 169 | 92.7 Ų | 92.7 | 74% | 0.741 | 54% | 0.54 | S | S | * | . | trans | -58.8 | 111.1 | 171.6 | -102.4 | -89.2 | 0 | 0 | 0 | 108.9 | P166 G170 | P166-F168 PolarHBondContact O-N 3.13Å; P166-F168 VanDerWaalsContact O-N 3.08Å; F168-G170 PolarHBondContact O-N 3.32Å; F168-G170 VanDerWaalsContact O-N 3.1Å | ||
| 169 | S | 66.6 | Low | 71.6 | Confident | 41 Ų | 41 | 88.4 Ų | 88.4 | 29% | 0.287 | 51% | 0.509 | S | S | . | . | trans | -62.4 | -19 | -177.7 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | G167 I171 Y339 | G167-S169 PolarHBondContact O-N 3.44Å; S169-I171 PolarHBondContact O-N 3.3Å; S169-I171 PolarHBondContact OG-N 2.87Å; S169-Y339 VanDerWaalsContact CB-CE2 3.43Å | ||
| 170 | G | 83.6 | Confident | 74.5 | Confident | 69 Ų | 69 | 80.2 Ų | 80.2 | 71% | 0.711 | 47% | 0.469 | S | S | * | . | trans | 70.5 | 2.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F168 | F168-G170 PolarHBondContact O-N 3.32Å; F168-G170 VanDerWaalsContact O-N 3.1Å | ||
| 171 | I | 92.8 | Very high | 77 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 21% | 0.205 | 44% | 0.435 | C | S | . | . | trans | -98.6 | 112.4 | -175.5 | -60.1 | 178.1 | 0 | 0 | 0 | 108.5 | S169 C272 F335 Y339 | S169-I171 PolarHBondContact O-N 3.3Å; S169-I171 PolarHBondContact OG-N 2.87Å; I171-C272 HydrophobicContact CG2-CB 4.04Å; I171-F335 HydrophobicContact CB-CE1 3.99Å; I171-F335 HydrophobicContact CB-CZ 4.06Å; I171-F335 HydrophobicContact CG2-CE1 4.03Å; I171-F335 HydrophobicContact CG2-CZ 3.82Å; I171-F335 WeakPolarHBondContact O-CE1 3.47Å; I171-Y339 HydrophobicContact CD1-CE2 4.35Å | ||
| 172 | V | 94.7 | Very high | 79.3 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 53% | 0.527 | 40% | 0.401 | S | S | . | . | trans | -100.6 | 118.8 | 180 | -178.2 | 0 | 0 | 0 | 0 | 110 | Q174 Y332 | V172-Q174 PolarHBondContact O-N 3.28Å; V172-Q174 PolarHBondContact O-NE2 3.45Å; V172-Y332 HydrophobicContact CG1-CE1 3.83Å | ||
| 173 | P | 96.4 | Very high | 81.9 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.019 | 37% | 0.369 | C | S | . | . | trans | -51.8 | 133.7 | 170 | -28.2 | 34.4 | 0 | 0 | 0 | 113.3 | C272 I331 Y332 F335 | P173-C272 HydrophobicContact CG-CB 4.41Å; P173-I331 HydrophobicContact CB-CG2 3.8Å; P173-I331 HydrophobicContact CG-CG2 4.44Å; P173-Y332 HydrophobicContact CB-CD1 4.29Å; P173-Y332 HydrophobicContact CB-CE1 4.2Å; P173-Y332 HydrophobicContact CG-CD1 4.15Å; P173-Y332 HydrophobicContact CG-CE1 4.48Å; P173-Y332 WeakPolarHBondContact O-CE1 3.37Å; P173-F335 HydrophobicContact CG-CB 3.56Å; P173-F335 HydrophobicContact CG-CD1 3.72Å; P173-F335 HydrophobicContact CG-CD2 4.36Å; P173-F335 HydrophobicContact CG-CG 3.59Å | ||
| 174 | Q | 97.1 | Very high | 84.1 | Confident | 112 Ų | 112 | 54.4 Ų | 54.4 | 52% | 0.523 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131 | -179.9 | -59 | -57.4 | -56 | 0 | 0 | 109.9 | V172 Q176 G270 S271 | V172-Q174 PolarHBondContact O-N 3.28Å; V172-Q174 PolarHBondContact O-NE2 3.45Å; Q174-Q176 PolarHBondContact O-NE2 2.89Å; Q174-G270 CarbonylContact O-C 3.51Å; Q174-G270 WeakPolarHBondContact O-CA 3.3Å; Q174-S271 PolarHBondContact N-O 3.01Å; Q174-S271 PolarHBondContact O-N 3.25Å |
| 175 | L | 97.1 | Very high | 86.5 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 134.7 | 174.8 | -65 | -177.5 | 0 | 0 | 0 | 110.9 | V178 K235 E237 M268 R328 I331 | L175-V178 HydrophobicContact CD1-CG2 4.43Å; L175-K235 VanDerWaalsContact CB-O 3.23Å; L175-K235 WeakPolarHBondContact CB-O 3.5Å; L175-E237 WeakPolarHBondContact CD1-OE2 3.29Å; L175-M268 HydrophobicContact CD1-CE 3.59Å; L175-M268 HydrophobicContact CD2-CE 3.71Å; L175-M268 HydrophobicContact CG-CE 4.33Å; L175-R328 HydrophobicContact CD1-CG 4.16Å; L175-R328 HydrophobicContact CD2-CG 4.39Å; L175-R328 HydrophobicContact CG-CG 4.5Å; L175-I331 HydrophobicContact CD2-CD1 3.62Å |
| 176 | Q | 97.2 | Very high | 88.6 | Confident | 71 Ų | 71 | 45.8 Ų | 45.8 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -32.8 | -179.8 | -57.5 | -54.8 | -36.6 | 0 | 0 | 112.5 | Q174 V269 S271 | Q174-Q176 PolarHBondContact O-NE2 2.89Å; Q176-V269 PolarHBondContact N-O 2.99Å; Q176-S271 VanDerWaalsContact CG-OG 3.26Å; Q176-S271 WeakPolarHBondContact CG-OG 3.37Å; Q176-S271 PolarHBondContact NE2-OG 3.22Å; Q176-S271 VanDerWaalsContact NE2-OG 3.09Å |
| 177 | N | 97.8 | Very high | 90.8 | Very high | 39 Ų | 39 | 49 Ų | 49 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 139.3 | 179.4 | 176.9 | 40.5 | 0 | 0 | 0 | 111.4 | G233 A234 V269 | N177-G233 WeakPolarHBondContact OD1-CA 3.31Å; N177-G233 PolarHBondContact OD1-N 2.84Å; N177-A234 CarbonylContact C-O 3.57Å; N177-A234 VanDerWaalsContact CA-O 3.31Å; N177-A234 WeakPolarHBondContact CA-O 3.49Å; N177-V269 HydrophobicContact CB-CB 4.21Å; N177-V269 HydrophobicContact CB-CG2 4.33Å; N177-V269 PolarHBondContact N-O 3.37Å; N177-V269 PolarHBondContact O-N 3.2Å |
| 178 | V | 98.2 | Very high | 93 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 116.1 | 174.2 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | L175 A234 E237 S240 I265 M268 | L175-V178 HydrophobicContact CD1-CG2 4.43Å; V178-A234 PolarHBondContact N-O 2.92Å; V178-E237 HydrophobicContact CG1-CG 4.47Å; V178-S240 PolarHBondContact O-OG 3.31Å; V178-I265 HydrophobicContact CG1-CD1 3.84Å; V178-I265 HydrophobicContact CG1-CG2 4.03Å; V178-M268 HydrophobicContact CG1-CG 4.37Å; V178-M268 HydrophobicContact CG2-CE 4.19Å; V178-M268 HydrophobicContact CG2-CG 4.43Å |
| 179 | V | 98.3 | Very high | 95 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 13% | 0.127 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 123.4 | 175.7 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | V230 C231 T232 Q266 N267 | V179-V230 HydrophobicContact CG1-CG1 4.22Å; V179-C231 WeakPolarHBondContact CA-O 3.27Å; V179-T232 HydrophobicContact CB-CG2 4.49Å; V179-T232 HydrophobicContact CG1-CG2 4.09Å; V179-T232 HydrophobicContact CG2-CG2 4.05Å; V179-Q266 HydrophobicContact CG1-CB 4.41Å; V179-Q266 PolarHBondContact O-N 3.38Å; V179-N267 HydrophobicContact CB-CB 4.16Å; V179-N267 HydrophobicContact CG2-CB 4.41Å; V179-N267 PolarHBondContact N-O 2.99Å; V179-N267 PolarHBondContact O-N 2.88Å |
| 180 | S | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 163 | 176.8 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | V230 C231 S240 F263 K264 | S180-V230 CarbonylContact O-C 3.55Å; S180-V230 WeakPolarHBondContact O-CA 3.47Å; S180-C231 PolarHBondContact N-O 3.4Å; S180-C231 PolarHBondContact O-N 2.91Å; S180-S240 WeakPolarHBondContact CB-OG 3.33Å; S180-S240 PolarHBondContact OG-OG 2.92Å; S180-F263 WeakPolarHBondContact OG-CE2 3.01Å; S180-K264 CarbonylContact C-O 3.58Å; S180-K264 VanDerWaalsContact CA-O 3.3Å; S180-K264 WeakPolarHBondContact CA-O 3.24Å; S180-K264 WeakPolarHBondContact CB-O 3.38Å |
| 181 | T | 98.4 | Very high | 97 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 8% | 0.08 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.7 | 167.5 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | V229 V230 F263 K264 Q266 | T181-V229 CarbonylContact C-O 3.58Å; T181-V229 WeakPolarHBondContact CA-O 3.39Å; T181-V230 HydrophobicContact CG2-CG2 4.02Å; T181-F263 CarbonylContact O-C 3.57Å; T181-F263 VanDerWaalsContact O-CA 3.28Å; T181-F263 WeakPolarHBondContact O-CA 3.47Å; T181-K264 PolarHBondContact N-O 3.04Å; T181-K264 PolarHBondContact O-N 2.7Å; T181-Q266 HydrophobicContact CG2-CG 3.81Å; T181-Q266 PolarHBondContact OG1-NE2 3.2Å |
| 182 | A | 98.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 175.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V229 A244 F260 F263 | A182-V229 PolarHBondContact N-O 2.89Å; A182-V229 PolarHBondContact O-N 2.85Å; A182-A244 HydrophobicContact CB-CB 4.46Å; A182-F260 HydrophobicContact CB-CD2 4.14Å; A182-F260 HydrophobicContact CB-CE2 3.55Å; A182-F260 HydrophobicContact CB-CZ 4.12Å; A182-F263 HydrophobicContact CB-CD2 4.35Å |
| 183 | N | 98.1 | Very high | 97.3 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 24% | 0.235 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146.3 | 170.9 | -169.4 | -24.4 | 0 | 0 | 0 | 109.8 | A185 G227 R259 F261 | N183-A185 PolarHBondContact OD1-N 3.33Å; N183-A185 VanDerWaalsContact OD1-N 3.09Å; N183-G227 CarbonylContact C-O 3.38Å; N183-G227 WeakPolarHBondContact CA-O 3.43Å; N183-G227 PolarHBondContact OD1-O 2.74Å; N183-R259 VanDerWaalsContact O-O 3.1Å; N183-F261 HydrophobicContact CB-CD1 3.86Å; N183-F261 HydrophobicContact CB-CE1 3.34Å; N183-F261 HydrophobicContact CB-CE2 4.46Å; N183-F261 HydrophobicContact CB-CZ 3.69Å; N183-F261 VanDerWaalsContact CG-CZ 3.47Å; N183-F261 PolarHBondContact N-O 3.04Å; N183-F261 VanDerWaalsContact O-CD1 3.23Å; N183-F261 WeakPolarHBondContact O-CD1 3.18Å; N183-F261 PolarHBondContact O-N 3.43Å; N183-F261 WeakPolarHBondContact OD1-CE1 3.4Å |
| 184 | L | 97.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | trans | -102.6 | 1.2 | -173.7 | -57.6 | -174.6 | 0 | 0 | 0 | 113.7 | C186 L188 G227 V229 A248 V251 V258 R259 | L184-C186 PolarHBondContact O-N 2.97Å; L184-C186 VanDerWaalsContact O-N 3.16Å; L184-C186 PolarHBondContact O-SG 3.16Å; L184-C186 VanDerWaalsContact O-SG 3.33Å; L184-L188 HydrophobicContact CD1-CD1 3.98Å; L184-G227 PolarHBondContact N-O 2.76Å; L184-V229 HydrophobicContact CD1-CG2 3.62Å; L184-V229 HydrophobicContact CD2-CG2 4.24Å; L184-V229 HydrophobicContact CG-CG2 3.7Å; L184-A248 HydrophobicContact CD2-CB 3.49Å; L184-A248 VanDerWaalsContact CD2-CB 3.49Å; L184-V251 HydrophobicContact CD1-CB 4.19Å; L184-V251 HydrophobicContact CD1-CG1 4.21Å; L184-V251 HydrophobicContact CD1-CG2 4.18Å; L184-V258 HydrophobicContact CB-CG1 4.04Å; L184-V258 HydrophobicContact CB-CG2 4.39Å; L184-V258 HydrophobicContact CD2-CG1 3.81Å; L184-V258 HydrophobicContact CG-CG1 4.36Å; L184-V258 WeakPolarHBondContact O-CA 3.47Å; L184-R259 CarbonylContact C-O 3.18Å; L184-R259 VanDerWaalsContact CA-O 3.28Å; L184-R259 WeakPolarHBondContact CA-O 3.12Å; L184-R259 PolarHBondContact O-N 3.25Å | ||
| 185 | A | 95.9 | Very high | 97.3 | Very high | 34 Ų | 34 | 46.4 Ų | 46.4 | 28% | 0.281 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 65.7 | 12.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | N183 R259 F261 | N183-A185 PolarHBondContact OD1-N 3.33Å; N183-A185 VanDerWaalsContact OD1-N 3.09Å; A185-R259 HydrophobicContact CB-CB 3.9Å; A185-F261 HydrophobicContact CB-CD1 3.79Å; A185-F261 HydrophobicContact CB-CE1 3.54Å; A185-F261 HydrophobicContact CB-CZ 4.49Å |
| 186 | C | 96.2 | Very high | 97.2 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 12% | 0.122 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -142 | 153.6 | 179.2 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | L184 G227 P257 | L184-C186 PolarHBondContact O-N 2.97Å; L184-C186 VanDerWaalsContact O-N 3.16Å; L184-C186 PolarHBondContact O-SG 3.16Å; L184-C186 VanDerWaalsContact O-SG 3.33Å; C186-G227 WeakPolarHBondContact O-CA 3.37Å; C186-P257 HydrophobicContact CB-CG 3.99Å |
| 187 | K | 97.1 | Very high | 97 | Very high | 169 Ų | 169 | 46.9 Ų | 46.9 | 74% | 0.735 | 24% | 0.238 | S | C | * | . | trans | -71.4 | 141.4 | 166.5 | -67 | -65.4 | -170.6 | 178.1 | 0 | 109 | S225 | K187-S225 WeakPolarHBondContact CA-O 3.4Å; K187-S225 WeakPolarHBondContact CD-O 3.38Å | ||
| 188 | L | 97.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.058 | 27% | 0.267 | C | S | . | . | trans | -120.5 | 128.9 | -173.8 | -63.7 | 177.4 | 0 | 0 | 0 | 111.4 | L184 L190 I193 I223 S225 V251 F256 | L184-L188 HydrophobicContact CD1-CD1 3.98Å; L188-L190 HydrophobicContact CB-CD2 4.3Å; L188-L190 PolarHBondContact O-N 2.93Å; L188-I193 HydrophobicContact CB-CD1 3.93Å; L188-I193 HydrophobicContact CD1-CD1 4.07Å; L188-I193 HydrophobicContact CD2-CD1 4.33Å; L188-I193 HydrophobicContact CG-CD1 4.33Å; L188-I223 HydrophobicContact CD1-CG2 3.61Å; L188-S225 PolarHBondContact N-O 3.42Å; L188-V251 HydrophobicContact CD1-CG1 4.25Å; L188-V251 HydrophobicContact CD2-CG1 3.74Å; L188-F256 HydrophobicContact CD2-CB 3.99Å; L188-F256 HydrophobicContact CD2-CD1 3.63Å; L188-F256 HydrophobicContact CD2-CD2 4.36Å; L188-F256 HydrophobicContact CD2-CE1 4.14Å; L188-F256 HydrophobicContact CD2-CG 3.75Å | ||
| 189 | D | 97.5 | Very high | 96.5 | Very high | 80 Ų | 80 | 59.5 Ų | 59.5 | 43% | 0.428 | 30% | 0.297 | S | S | . | . | trans | -78.8 | 103.4 | 164.5 | 176.2 | 22.4 | 0 | 0 | 0 | 109.6 | R191 K192 I193 F256 | D189-R191 PolarHBondContact O-N 3.07Å; D189-R191 WeakPolarHBondContact OD1-CB 3.45Å; D189-R191 PolarHBondContact OD1-N 3.05Å; D189-K192 HydrophobicContact CB-CB 4.1Å; D189-K192 PolarHBondContact O-N 2.86Å; D189-K192 WeakPolarHBondContact OD2-CB 3.49Å; D189-K192 PolarHBondContact OD2-N 3.22Å; D189-I193 WeakPolarHBondContact O-CG1 3.28Å; D189-I193 PolarHBondContact O-N 3.35Å; D189-F256 HydrophobicContact CB-CE1 4.48Å; D189-F256 HydrophobicContact CB-CZ 4.41Å | ||
| 190 | L | 97.2 | Very high | 96.4 | Very high | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -26.4 | 177.8 | -60.4 | -168.1 | 0 | 0 | 0 | 112.9 | L188 I193 A194 Y202 V210 I223 | L188-L190 HydrophobicContact CB-CD2 4.3Å; L188-L190 PolarHBondContact O-N 2.93Å; L190-I193 HydrophobicContact CD2-CD1 4.41Å; L190-A194 VanDerWaalsContact O-CB 3.29Å; L190-A194 WeakPolarHBondContact O-CB 3.39Å; L190-A194 PolarHBondContact O-N 3.49Å; L190-Y202 HydrophobicContact CB-CD2 4.4Å; L190-Y202 HydrophobicContact CB-CE1 4.05Å; L190-Y202 HydrophobicContact CB-CE2 3.77Å; L190-Y202 HydrophobicContact CD1-CE2 3.78Å; L190-Y202 HydrophobicContact CG-CE2 4.46Å; L190-V210 HydrophobicContact CB-CG2 3.72Å; L190-V210 HydrophobicContact CD1-CG2 4.48Å; L190-V210 HydrophobicContact CD2-CG2 3.92Å; L190-V210 HydrophobicContact CG-CG2 4.22Å; L190-V210 WeakPolarHBondContact O-CG2 3.47Å; L190-I223 WeakPolarHBondContact CD2-O 3.28Å |
| 191 | R | 96.5 | Very high | 96.3 | Very high | 179 Ų | 179 | 64.3 Ų | 64.3 | 68% | 0.675 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.3 | -50.1 | 175 | -64.9 | 178 | -179.2 | -124.7 | 4.2 | 110.7 | D189 I193 A194 L195 Y202 | D189-R191 PolarHBondContact O-N 3.07Å; D189-R191 WeakPolarHBondContact OD1-CB 3.45Å; D189-R191 PolarHBondContact OD1-N 3.05Å; R191-I193 VanDerWaalsContact C-N 3.28Å; R191-I193 PolarHBondContact O-N 3.42Å; R191-A194 PolarHBondContact O-N 3.42Å; R191-L195 WeakPolarHBondContact O-CB 3.27Å; R191-L195 PolarHBondContact O-N 3.15Å; R191-Y202 HydrophobicContact CG-CE1 3.91Å |
| 192 | K | 96.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 67 Ų | 67 | 35% | 0.352 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.1 | -40.2 | 173.4 | -179.1 | -177.3 | 171.7 | -157.7 | 0 | 111.8 | D189 N196 L254 F256 | D189-K192 HydrophobicContact CB-CB 4.1Å; D189-K192 PolarHBondContact O-N 2.86Å; D189-K192 WeakPolarHBondContact OD2-CB 3.49Å; D189-K192 PolarHBondContact OD2-N 3.22Å; K192-N196 PolarHBondContact O-N 2.82Å; K192-N196 PolarHBondContact O-ND2 2.98Å; K192-L254 WeakPolarHBondContact CE-O 3.5Å; K192-L254 PolarHBondContact NZ-O 3.27Å; K192-F256 HydrophobicContact CB-CZ 4.2Å; K192-F256 HydrophobicContact CD-CE2 4.14Å; K192-F256 HydrophobicContact CD-CZ 3.79Å; K192-F256 HydrophobicContact CG-CE2 4.4Å; K192-F256 HydrophobicContact CG-CZ 4.18Å |
| 193 | I | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -54.7 | 175 | -66.7 | 171.4 | 0 | 0 | 0 | 110.6 | L188 D189 L190 R191 L195 N196 A197 V210 M212 I223 V251 L254 F256 | L188-I193 HydrophobicContact CB-CD1 3.93Å; L188-I193 HydrophobicContact CD1-CD1 4.07Å; L188-I193 HydrophobicContact CD2-CD1 4.33Å; L188-I193 HydrophobicContact CG-CD1 4.33Å; D189-I193 WeakPolarHBondContact O-CG1 3.28Å; D189-I193 PolarHBondContact O-N 3.35Å; L190-I193 HydrophobicContact CD2-CD1 4.41Å; R191-I193 VanDerWaalsContact C-N 3.28Å; R191-I193 PolarHBondContact O-N 3.42Å; I193-L195 PolarHBondContact O-N 3.39Å; I193-N196 PolarHBondContact O-N 2.89Å; I193-A197 HydrophobicContact CG2-CB 4.42Å; I193-A197 VanDerWaalsContact O-CB 3.24Å; I193-A197 WeakPolarHBondContact O-CB 3.25Å; I193-A197 PolarHBondContact O-N 3.26Å; I193-V210 HydrophobicContact CG2-CG1 4.2Å; I193-V210 HydrophobicContact CG2-CG2 4.38Å; I193-M212 HydrophobicContact CG2-CE 3.9Å; I193-I223 HydrophobicContact CD1-CG2 4.38Å; I193-V251 HydrophobicContact CD1-CG1 4.14Å; I193-V251 HydrophobicContact CD1-CG2 4.44Å; I193-L254 HydrophobicContact CB-CD1 4.46Å; I193-L254 HydrophobicContact CG1-CD1 4.3Å; I193-L254 HydrophobicContact CG2-CD1 4.32Å; I193-F256 HydrophobicContact CD1-CE2 4.17Å; I193-F256 HydrophobicContact CD1-CZ 4.37Å; I193-F256 HydrophobicContact CG1-CD2 4.38Å; I193-F256 HydrophobicContact CG1-CE2 3.54Å; I193-F256 HydrophobicContact CG1-CZ 3.9Å |
| 194 | A | 96.1 | Very high | 96 | Very high | 29 Ų | 29 | 72.1 Ų | 72.1 | 24% | 0.24 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.2 | -23.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L190 R191 Y202 V210 | L190-A194 VanDerWaalsContact O-CB 3.29Å; L190-A194 WeakPolarHBondContact O-CB 3.39Å; L190-A194 PolarHBondContact O-N 3.49Å; R191-A194 PolarHBondContact O-N 3.42Å; A194-Y202 HydrophobicContact CB-CD1 4Å; A194-Y202 HydrophobicContact CB-CG 4.08Å; A194-V210 HydrophobicContact CB-CG2 4.39Å |
| 195 | L | 95.7 | Very high | 95.9 | Very high | 144 Ų | 144 | 81.8 Ų | 81.8 | 75% | 0.754 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -81.1 | -30.5 | 176.7 | -176.1 | 64.6 | 0 | 0 | 0 | 113.4 | R191 I193 | R191-L195 WeakPolarHBondContact O-CB 3.27Å; R191-L195 PolarHBondContact O-N 3.15Å; I193-L195 PolarHBondContact O-N 3.39Å |
| 196 | N | 95.4 | Very high | 95.9 | Very high | 93 Ų | 93 | 89.3 Ų | 89.3 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -110.2 | -17.6 | -171.3 | -64.9 | -86.9 | 0 | 0 | 0 | 113.8 | K192 I193 L254 | K192-N196 PolarHBondContact O-N 2.82Å; K192-N196 PolarHBondContact O-ND2 2.98Å; I193-N196 PolarHBondContact O-N 2.89Å; N196-L254 HydrophobicContact CB-CD2 3.67Å |
| 197 | A | 93.1 | Very high | 95.9 | Very high | 16 Ų | 16 | 92.1 Ų | 92.1 | 13% | 0.132 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -83.4 | 147.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I193 T200 M212 L254 | I193-A197 HydrophobicContact CG2-CB 4.42Å; I193-A197 VanDerWaalsContact O-CB 3.24Å; I193-A197 WeakPolarHBondContact O-CB 3.25Å; I193-A197 PolarHBondContact O-N 3.26Å; A197-T200 HydrophobicContact CB-CG2 3.58Å; A197-T200 PolarHBondContact O-OG1 2.98Å; A197-M212 HydrophobicContact CB-CE 3.83Å; A197-L254 HydrophobicContact CB-CD1 4.31Å |
| 198 | K | 92.2 | Very high | 95.8 | Very high | 185 Ų | 185 | 87.2 Ų | 87.2 | 80% | 0.804 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -85.1 | 150 | 166.7 | -63.2 | -177.4 | -179.8 | -177.5 | 0 | 109.4 | T200 | K198-T200 VanDerWaalsContact C-N 3.35Å; K198-T200 PolarHBondContact O-N 3.37Å |
| 199 | N | 93.5 | Very high | 95.8 | Very high | 120 Ų | 120 | 86.8 Ų | 86.8 | 64% | 0.642 | 42% | 0.422 | S | S | * | . | S | Bend | trans | 57.9 | 39.8 | 177.2 | -48.4 | -48.5 | 0 | 0 | 0 | 114.5 | R213 | N199-R213 PolarHBondContact O-N 3.03Å; N199-R213 VanDerWaalsContact O-N 3.15Å |
| 200 | T | 96.8 | Very high | 95.9 | Very high | 29 Ų | 29 | 83 Ų | 83 | 18% | 0.178 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 137.9 | 173.5 | 42.9 | 0 | 0 | 0 | 0 | 113.4 | A197 K198 V210 I211 M212 | A197-T200 HydrophobicContact CB-CG2 3.58Å; A197-T200 PolarHBondContact O-OG1 2.98Å; K198-T200 VanDerWaalsContact C-N 3.35Å; K198-T200 PolarHBondContact O-N 3.37Å; T200-V210 HydrophobicContact CG2-CG1 3.6Å; T200-I211 CarbonylContact C-O 3.54Å; T200-I211 WeakPolarHBondContact CA-O 3.49Å; T200-M212 HydrophobicContact CG2-CB 3.82Å; T200-M212 HydrophobicContact CG2-CE 3.51Å; T200-M212 HydrophobicContact CG2-CG 3.65Å; T200-M212 HydrophobicContact CG2-SD 4.38Å |
| 201 | E | 96.9 | Very high | 95.9 | Very high | 92 Ų | 92 | 83.6 Ų | 83.6 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 131.3 | 170.4 | -52 | 158 | -132.3 | 0 | 0 | 108.7 | I211 R213 | E201-I211 HydrophobicContact CB-CB 4.18Å; E201-I211 PolarHBondContact N-O 3.31Å; E201-I211 PolarHBondContact O-N 2.88Å; E201-R213 IonicContact OE1-CZ 3.49Å; E201-R213 IonicContact OE1-NE 3.03Å; E201-R213 PolarHBondContact OE1-NE 3.42Å; E201-R213 IonicContact OE1-NH2 2.76Å; E201-R213 PolarHBondContact OE1-NH2 3.11Å; E201-R213 IonicContact OE2-NH2 3.3Å |
| 202 | Y | 97.8 | Very high | 96 | Very high | 71 Ų | 71 | 75.3 Ų | 75.3 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | trans | -144.8 | 120.9 | 176.2 | -179.5 | -126.1 | 0 | 0 | 0 | 111.6 | L190 R191 A194 P204 V210 | L190-Y202 HydrophobicContact CB-CD2 4.4Å; L190-Y202 HydrophobicContact CB-CE1 4.05Å; L190-Y202 HydrophobicContact CB-CE2 3.77Å; L190-Y202 HydrophobicContact CD1-CE2 3.78Å; L190-Y202 HydrophobicContact CG-CE2 4.46Å; R191-Y202 HydrophobicContact CG-CE1 3.91Å; A194-Y202 HydrophobicContact CB-CD1 4Å; A194-Y202 HydrophobicContact CB-CG 4.08Å; Y202-P204 HydrophobicContact CE1-CG 4.12Å; Y202-P204 HydrophobicContact CE2-CB 4.17Å; Y202-P204 HydrophobicContact CE2-CG 4.5Å; Y202-V210 HydrophobicContact CD2-CG2 3.82Å; Y202-V210 HydrophobicContact CE2-CG2 4.42Å; Y202-V210 HydrophobicContact CG-CG2 3.99Å | ||
| 203 | N | 95.9 | Very high | 96.1 | Very high | 84 Ų | 84 | 76.5 Ų | 76.5 | 45% | 0.449 | 38% | 0.376 | S | S | . | . | trans | -142 | 96 | 173.4 | 178.8 | -8.2 | 0 | 0 | 0 | 109 | K205 R206 F207 | N203-K205 PolarHBondContact O-N 2.74Å; N203-K205 VanDerWaalsContact O-N 3.1Å; N203-K205 WeakPolarHBondContact OD1-CB 3.4Å; N203-K205 PolarHBondContact OD1-N 3Å; N203-K205 VanDerWaalsContact OD1-N 3.11Å; N203-R206 HydrophobicContact CB-CB 4.17Å; N203-R206 PolarHBondContact O-N 3.43Å; N203-R206 PolarHBondContact OD1-N 3.03Å; N203-F207 PolarHBondContact O-N 3.29Å; N203-F207 VanDerWaalsContact O-O 3.12Å | ||
| 204 | P | 93.8 | Very high | 96 | Very high | 71 Ų | 71 | 78.3 Ų | 78.3 | 46% | 0.461 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12.3 | -175.5 | 25.1 | -33.3 | 0 | 0 | 0 | 114.4 | Y202 F207 | Y202-P204 HydrophobicContact CE1-CG 4.12Å; Y202-P204 HydrophobicContact CE2-CB 4.17Å; Y202-P204 HydrophobicContact CE2-CG 4.5Å; P204-F207 WeakPolarHBondContact CA-O 3.42Å |
| 205 | K | 95.8 | Very high | 96 | Very high | 205 Ų | 205 | 88 Ų | 88 | 89% | 0.891 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -22.4 | 170.1 | -63.5 | -173.5 | 177.6 | -175.7 | 0 | 112.7 | N203 | N203-K205 PolarHBondContact O-N 2.74Å; N203-K205 VanDerWaalsContact O-N 3.1Å; N203-K205 WeakPolarHBondContact OD1-CB 3.4Å; N203-K205 PolarHBondContact OD1-N 3Å; N203-K205 VanDerWaalsContact OD1-N 3.11Å |
| 206 | R | 95.8 | Very high | 95.9 | Very high | 191 Ų | 191 | 86.3 Ų | 86.3 | 72% | 0.721 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -44.1 | 177.3 | -177 | -177.7 | 179.6 | -82.4 | -2.9 | 111.9 | N203 | N203-R206 HydrophobicContact CB-CB 4.17Å; N203-R206 PolarHBondContact O-N 3.43Å; N203-R206 PolarHBondContact OD1-N 3.03Å |
| 207 | F | 95.7 | Very high | 95.9 | Very high | 78 Ų | 78 | 82.5 Ų | 82.5 | 34% | 0.342 | 38% | 0.384 | S | S | . | . | trans | -156.6 | 138 | -175.5 | -165.3 | -123.1 | 0 | 0 | 0 | 111.7 | N203 P204 A209 L222 F224 | N203-F207 PolarHBondContact O-N 3.29Å; N203-F207 VanDerWaalsContact O-O 3.12Å; P204-F207 WeakPolarHBondContact CA-O 3.42Å; F207-A209 HydrophobicContact CD1-CB 3.84Å; F207-A209 HydrophobicContact CE1-CB 3.65Å; F207-A209 PolarHBondContact O-N 3.33Å; F207-A209 VanDerWaalsContact O-N 3.13Å; F207-L222 HydrophobicContact CE1-CD1 4.16Å; F207-L222 HydrophobicContact CE1-CD2 4.29Å; F207-L222 HydrophobicContact CZ-CD1 4.33Å; F207-F224 HydrophobicContact CE1-CZ 4.44Å; F207-F224 HydrophobicContact CZ-CE1 4.34Å; F207-F224 HydrophobicContact CZ-CZ 4.13Å | ||
| 208 | A | 95.4 | Very high | 96.1 | Very high | 65 Ų | 65 | 92 Ų | 92 | 54% | 0.537 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -85.8 | 29.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 209 | A | 97.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 83.4 Ų | 83.4 | 2% | 0.017 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 155.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111 | F207 I223 F224 | F207-A209 HydrophobicContact CD1-CB 3.84Å; F207-A209 HydrophobicContact CE1-CB 3.65Å; F207-A209 PolarHBondContact O-N 3.33Å; F207-A209 VanDerWaalsContact O-N 3.13Å; A209-I223 CarbonylContact C-O 3.58Å; A209-I223 WeakPolarHBondContact CA-O 3.23Å; A209-I223 WeakPolarHBondContact CB-O 3.38Å; A209-F224 HydrophobicContact CB-CD1 3.85Å; A209-F224 HydrophobicContact CB-CD2 4.3Å; A209-F224 HydrophobicContact CB-CE1 3.89Å; A209-F224 HydrophobicContact CB-CE2 4.32Å; A209-F224 HydrophobicContact CB-CG 4.07Å; A209-F224 HydrophobicContact CB-CZ 4.12Å |
| 210 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.7 | 168.3 | 178 | 0 | 0 | 0 | 0 | 108.5 | L190 I193 A194 T200 Y202 I223 | L190-V210 HydrophobicContact CB-CG2 3.72Å; L190-V210 HydrophobicContact CD1-CG2 4.48Å; L190-V210 HydrophobicContact CD2-CG2 3.92Å; L190-V210 HydrophobicContact CG-CG2 4.22Å; L190-V210 WeakPolarHBondContact O-CG2 3.47Å; I193-V210 HydrophobicContact CG2-CG1 4.2Å; I193-V210 HydrophobicContact CG2-CG2 4.38Å; A194-V210 HydrophobicContact CB-CG2 4.39Å; T200-V210 HydrophobicContact CG2-CG1 3.6Å; Y202-V210 HydrophobicContact CD2-CG2 3.82Å; Y202-V210 HydrophobicContact CE2-CG2 4.42Å; Y202-V210 HydrophobicContact CG-CG2 3.99Å; V210-I223 HydrophobicContact CB-CB 4.44Å; V210-I223 PolarHBondContact N-O 3.09Å; V210-I223 PolarHBondContact O-N 3.16Å |
| 211 | I | 98.3 | Very high | 96.7 | Very high | 21 Ų | 21 | 77.5 Ų | 77.5 | 11% | 0.108 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125.3 | 168.5 | -51.4 | 175.5 | 0 | 0 | 0 | 106.8 | T200 E201 T220 A221 L222 | T200-I211 CarbonylContact C-O 3.54Å; T200-I211 WeakPolarHBondContact CA-O 3.49Å; E201-I211 HydrophobicContact CB-CB 4.18Å; E201-I211 PolarHBondContact N-O 3.31Å; E201-I211 PolarHBondContact O-N 2.88Å; I211-T220 HydrophobicContact CG2-CG2 3.54Å; I211-A221 CarbonylContact C-O 3.59Å; I211-A221 WeakPolarHBondContact CA-O 3.21Å; I211-L222 HydrophobicContact CB-CD2 4.42Å; I211-L222 HydrophobicContact CG1-CD2 3.89Å; I211-L222 HydrophobicContact CG2-CD2 4.29Å |
| 212 | M | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.02 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140 | 177.6 | -169.3 | -179.5 | -71.9 | 0 | 0 | 109.7 | I193 A197 T200 T220 A221 I223 Y247 V250 | I193-M212 HydrophobicContact CG2-CE 3.9Å; A197-M212 HydrophobicContact CB-CE 3.83Å; T200-M212 HydrophobicContact CG2-CB 3.82Å; T200-M212 HydrophobicContact CG2-CE 3.51Å; T200-M212 HydrophobicContact CG2-CG 3.65Å; T200-M212 HydrophobicContact CG2-SD 4.38Å; M212-T220 CarbonylContact O-C 3.51Å; M212-T220 WeakPolarHBondContact O-CA 3.29Å; M212-A221 PolarHBondContact N-O 3.25Å; M212-A221 PolarHBondContact O-N 2.76Å; M212-I223 HydrophobicContact CB-CD1 4.12Å; M212-I223 HydrophobicContact CE-CD1 3.75Å; M212-I223 HydrophobicContact SD-CD1 4.12Å; M212-Y247 HydrophobicContact CB-CD1 4.18Å; M212-Y247 HydrophobicContact CB-CE1 3.94Å; M212-Y247 HydrophobicContact CG-CD1 4.01Å; M212-Y247 HydrophobicContact CG-CE1 3.84Å; M212-Y247 PolarHBondContact O-OH 2.91Å; M212-Y247 HydrophobicContact SD-CD1 3.68Å; M212-Y247 HydrophobicContact SD-CE1 4.13Å; M212-V250 HydrophobicContact CE-CG1 4.01Å; M212-V250 HydrophobicContact SD-CB 4.35Å; M212-V250 HydrophobicContact SD-CG1 3.89Å |
| 213 | R | 98 | Very high | 96.8 | Very high | 106 Ų | 106 | 71.9 Ų | 71.9 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 135.8 | -176.4 | -50.1 | -172.7 | -168.1 | -97.7 | 9 | 112 | N199 E201 T220 | N199-R213 PolarHBondContact O-N 3.03Å; N199-R213 VanDerWaalsContact O-N 3.15Å; E201-R213 IonicContact OE1-CZ 3.49Å; E201-R213 IonicContact OE1-NE 3.03Å; E201-R213 PolarHBondContact OE1-NE 3.42Å; E201-R213 IonicContact OE1-NH2 2.76Å; E201-R213 PolarHBondContact OE1-NH2 3.11Å; E201-R213 IonicContact OE2-NH2 3.3Å; R213-T220 HydrophobicContact CG-CG2 4.2Å; R213-T220 PolarHBondContact NH1-OG1 2.87Å |
| 214 | I | 96.5 | Very high | 96.9 | Very high | 38 Ų | 38 | 70.4 Ų | 70.4 | 20% | 0.195 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 153 | 172.5 | 69 | -178.8 | 0 | 0 | 0 | 110.9 | T219 K246 Y247 | I214-T219 VanDerWaalsContact CG1-OG1 3.27Å; I214-T219 WeakPolarHBondContact CG1-OG1 3.09Å; I214-T219 PolarHBondContact N-O 2.9Å; I214-T219 PolarHBondContact O-N 2.57Å; I214-K246 HydrophobicContact CD1-CB 3.93Å; I214-K246 HydrophobicContact CD1-CD 4.03Å; I214-Y247 HydrophobicContact CD1-CE2 4.12Å; I214-Y247 HydrophobicContact CG1-CE1 4.43Å; I214-Y247 HydrophobicContact CG1-CE2 4.34Å; I214-Y247 HydrophobicContact CG2-CD1 4.45Å; I214-Y247 HydrophobicContact CG2-CE1 3.82Å; I214-Y247 PolarHBondContact N-OH 2.9Å |
| 215 | R | 95.1 | Very high | 97.1 | Very high | 234 Ų | 234 | 70.1 Ų | 70.1 | 88% | 0.883 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -29.1 | -178.2 | -67.9 | -176.8 | -179.8 | 173.4 | 0.2 | 113.4 | P217 R218 | R215-P217 CarbonylContact O-C 3.53Å; R215-R218 VanDerWaalsContact O-CA 3.29Å; R215-R218 WeakPolarHBondContact O-CA 3.3Å; R215-R218 WeakPolarHBondContact O-CB 3.46Å; R215-R218 PolarHBondContact O-N 3.44Å; R215-R218 VanDerWaalsContact O-N 3.16Å |
| 216 | E | 93.7 | Very high | 97.1 | Very high | 107 Ų | 107 | 62.4 Ų | 62.4 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 111 | -171 | -173.2 | 169.6 | -119.3 | 0 | 0 | 113.2 | K246 | E216-K246 WeakPolarHBondContact O-CD 3.37Å; E216-K246 PolarHBondContact O-NZ 2.71Å |
| 217 | P | 95.9 | Very high | 97.2 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -64.8 | 151.3 | -13.6 | 31 | -35.8 | 0 | 0 | 0 | 110.5 | R215 T219 E239 A243 | R215-P217 CarbonylContact O-C 3.53Å; P217-T219 HydrophobicContact CB-CG2 4.34Å; P217-T219 HydrophobicContact CG-CG2 4.07Å; P217-T219 WeakPolarHBondContact O-CG2 3.49Å; P217-T219 PolarHBondContact O-N 3.31Å; P217-T219 PolarHBondContact O-OG1 3.03Å; P217-E239 HydrophobicContact CB-CB 4.12Å; P217-E239 HydrophobicContact CB-CG 4.09Å; P217-E239 HydrophobicContact CG-CB 4.09Å; P217-E239 HydrophobicContact CG-CG 4.47Å; P217-A243 HydrophobicContact CG-CB 3.9Å |
| 218 | R | 96.9 | Very high | 97.3 | Very high | 216 Ų | 216 | 52.7 Ų | 52.7 | 82% | 0.815 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 91.9 | -172.8 | -175.9 | -177.6 | 172.6 | 178.2 | -3.3 | 111.2 | R215 | R215-R218 VanDerWaalsContact O-CA 3.29Å; R215-R218 WeakPolarHBondContact O-CA 3.3Å; R215-R218 WeakPolarHBondContact O-CB 3.46Å; R215-R218 PolarHBondContact O-N 3.44Å; R215-R218 VanDerWaalsContact O-N 3.16Å |
| 219 | T | 98.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 169.1 | -167.9 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | I214 P217 T232 A234 A243 Y247 | I214-T219 VanDerWaalsContact CG1-OG1 3.27Å; I214-T219 WeakPolarHBondContact CG1-OG1 3.09Å; I214-T219 PolarHBondContact N-O 2.9Å; I214-T219 PolarHBondContact O-N 2.57Å; P217-T219 HydrophobicContact CB-CG2 4.34Å; P217-T219 HydrophobicContact CG-CG2 4.07Å; P217-T219 WeakPolarHBondContact O-CG2 3.49Å; P217-T219 PolarHBondContact O-N 3.31Å; P217-T219 PolarHBondContact O-OG1 3.03Å; T219-T232 CarbonylContact C-O 3.54Å; T219-T232 VanDerWaalsContact CA-O 3.25Å; T219-T232 WeakPolarHBondContact CA-O 3.35Å; T219-T232 VanDerWaalsContact CB-O 3.27Å; T219-T232 WeakPolarHBondContact CB-O 3.34Å; T219-A234 HydrophobicContact CG2-CB 3.96Å; T219-A243 HydrophobicContact CG2-CB 3.84Å; T219-Y247 PolarHBondContact O-OH 3Å; T219-Y247 VanDerWaalsContact O-OH 3.05Å; T219-Y247 PolarHBondContact OG1-OH 3.02Å; T219-Y247 VanDerWaalsContact OG1-OH 3.07Å |
| 220 | T | 98.2 | Very high | 97.5 | Very high | 25 Ų | 25 | 50.7 Ų | 50.7 | 15% | 0.153 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 136.7 | 168.6 | -66 | 0 | 0 | 0 | 0 | 109.3 | I211 M212 R213 T232 Y247 | I211-T220 HydrophobicContact CG2-CG2 3.54Å; M212-T220 CarbonylContact O-C 3.51Å; M212-T220 WeakPolarHBondContact O-CA 3.29Å; R213-T220 HydrophobicContact CG-CG2 4.2Å; R213-T220 PolarHBondContact NH1-OG1 2.87Å; T220-T232 PolarHBondContact N-O 2.92Å; T220-T232 PolarHBondContact O-N 3.47Å; T220-T232 PolarHBondContact O-OG1 2.91Å; T220-Y247 WeakPolarHBondContact CA-OH 3.39Å; T220-Y247 PolarHBondContact N-OH 3.1Å |
| 221 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 145.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I211 M212 I223 V229 V230 Y247 | I211-A221 CarbonylContact C-O 3.59Å; I211-A221 WeakPolarHBondContact CA-O 3.21Å; M212-A221 PolarHBondContact N-O 3.25Å; M212-A221 PolarHBondContact O-N 2.76Å; A221-I223 HydrophobicContact CB-CG1 4.36Å; A221-V229 HydrophobicContact CB-CG1 4.02Å; A221-V230 CarbonylContact C-O 3.58Å; A221-V230 WeakPolarHBondContact CA-O 3.23Å; A221-Y247 HydrophobicContact CB-CD1 3.62Å; A221-Y247 HydrophobicContact CB-CD2 3.59Å; A221-Y247 HydrophobicContact CB-CE1 3.59Å; A221-Y247 HydrophobicContact CB-CE2 3.6Å; A221-Y247 HydrophobicContact CB-CG 3.63Å; A221-Y247 PolarHBondContact N-OH 3.11Å |
| 222 | L | 98.3 | Very high | 97.4 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 23% | 0.225 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.8 | 168.7 | -50.4 | 178.2 | 0 | 0 | 0 | 107.7 | F207 I211 F224 V229 V230 | F207-L222 HydrophobicContact CE1-CD1 4.16Å; F207-L222 HydrophobicContact CE1-CD2 4.29Å; F207-L222 HydrophobicContact CZ-CD1 4.33Å; I211-L222 HydrophobicContact CB-CD2 4.42Å; I211-L222 HydrophobicContact CG1-CD2 3.89Å; I211-L222 HydrophobicContact CG2-CD2 4.29Å; L222-F224 HydrophobicContact CB-CE2 3.94Å; L222-F224 HydrophobicContact CB-CZ 4.46Å; L222-V229 WeakPolarHBondContact O-CA 3.41Å; L222-V230 HydrophobicContact CB-CB 4.25Å; L222-V230 HydrophobicContact CD1-CB 4.49Å; L222-V230 PolarHBondContact N-O 2.76Å; L222-V230 PolarHBondContact O-N 2.87Å |
| 223 | I | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 113.9 | -174.1 | -56.1 | 171.5 | 0 | 0 | 0 | 109 | L188 L190 I193 A209 V210 M212 A221 V229 V251 | L188-I223 HydrophobicContact CD1-CG2 3.61Å; L190-I223 WeakPolarHBondContact CD2-O 3.28Å; I193-I223 HydrophobicContact CD1-CG2 4.38Å; A209-I223 CarbonylContact C-O 3.58Å; A209-I223 WeakPolarHBondContact CA-O 3.23Å; A209-I223 WeakPolarHBondContact CB-O 3.38Å; V210-I223 HydrophobicContact CB-CB 4.44Å; V210-I223 PolarHBondContact N-O 3.09Å; V210-I223 PolarHBondContact O-N 3.16Å; M212-I223 HydrophobicContact CB-CD1 4.12Å; M212-I223 HydrophobicContact CE-CD1 3.75Å; M212-I223 HydrophobicContact SD-CD1 4.12Å; A221-I223 HydrophobicContact CB-CG1 4.36Å; I223-V229 HydrophobicContact CG1-CG1 4.38Å; I223-V229 HydrophobicContact CG1-CG2 4.23Å; I223-V229 HydrophobicContact CG2-CG2 4.39Å; I223-V251 HydrophobicContact CD1-CG2 4.03Å |
| 224 | F | 98.3 | Very high | 97.3 | Very high | 53 Ų | 53 | 48.3 Ų | 48.3 | 23% | 0.232 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 152.6 | -177.7 | -64.9 | -97.2 | 0 | 0 | 0 | 111.4 | F207 A209 L222 S226 G227 K228 V230 | F207-F224 HydrophobicContact CE1-CZ 4.44Å; F207-F224 HydrophobicContact CZ-CE1 4.34Å; F207-F224 HydrophobicContact CZ-CZ 4.13Å; A209-F224 HydrophobicContact CB-CD1 3.85Å; A209-F224 HydrophobicContact CB-CD2 4.3Å; A209-F224 HydrophobicContact CB-CE1 3.89Å; A209-F224 HydrophobicContact CB-CE2 4.32Å; A209-F224 HydrophobicContact CB-CG 4.07Å; A209-F224 HydrophobicContact CB-CZ 4.12Å; L222-F224 HydrophobicContact CB-CE2 3.94Å; L222-F224 HydrophobicContact CB-CZ 4.46Å; F224-S226 PolarHBondContact O-N 3.04Å; F224-G227 PolarHBondContact O-N 3.24Å; F224-K228 HydrophobicContact CB-CB 4.44Å; F224-K228 HydrophobicContact CD2-CB 4.46Å; F224-K228 WeakPolarHBondContact CD2-O 3.45Å; F224-K228 PolarHBondContact N-O 2.98Å; F224-V230 HydrophobicContact CE2-CG2 3.98Å |
| 225 | S | 97.7 | Very high | 97.3 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.5 | 178.5 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | K187 L188 G227 | K187-S225 WeakPolarHBondContact CA-O 3.4Å; K187-S225 WeakPolarHBondContact CD-O 3.38Å; L188-S225 PolarHBondContact N-O 3.42Å; S225-G227 VanDerWaalsContact C-N 3.29Å |
| 226 | S | 97.3 | Very high | 97.4 | Very high | 44 Ų | 44 | 42.5 Ų | 42.5 | 31% | 0.308 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13.2 | 172.5 | 58.8 | 0 | 0 | 0 | 0 | 114.6 | F224 K228 | F224-S226 PolarHBondContact O-N 3.04Å; S226-K228 PolarHBondContact OG-N 2.94Å |
| 227 | G | 96.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 89.1 | -6.9 | -170 | 0 | 0 | 0 | 0 | 0 | 114.2 | N183 L184 C186 F224 S225 | N183-G227 CarbonylContact C-O 3.38Å; N183-G227 WeakPolarHBondContact CA-O 3.43Å; N183-G227 PolarHBondContact OD1-O 2.74Å; L184-G227 PolarHBondContact N-O 2.76Å; C186-G227 WeakPolarHBondContact O-CA 3.37Å; F224-G227 PolarHBondContact O-N 3.24Å; S225-G227 VanDerWaalsContact C-N 3.29Å |
| 228 | K | 97.9 | Very high | 97.6 | Very high | 64 Ų | 64 | 43.8 Ų | 43.8 | 28% | 0.278 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 137.6 | 170.3 | -171.8 | 176.3 | -178.5 | 178.9 | 0 | 109.5 | F224 S226 | F224-K228 HydrophobicContact CB-CB 4.44Å; F224-K228 HydrophobicContact CD2-CB 4.46Å; F224-K228 WeakPolarHBondContact CD2-O 3.45Å; F224-K228 PolarHBondContact N-O 2.98Å; S226-K228 PolarHBondContact OG-N 2.94Å |
| 229 | V | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 131.3 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | T181 A182 L184 A221 L222 I223 | T181-V229 CarbonylContact C-O 3.58Å; T181-V229 WeakPolarHBondContact CA-O 3.39Å; A182-V229 PolarHBondContact N-O 2.89Å; A182-V229 PolarHBondContact O-N 2.85Å; L184-V229 HydrophobicContact CD1-CG2 3.62Å; L184-V229 HydrophobicContact CD2-CG2 4.24Å; L184-V229 HydrophobicContact CG-CG2 3.7Å; A221-V229 HydrophobicContact CB-CG1 4.02Å; L222-V229 WeakPolarHBondContact O-CA 3.41Å; I223-V229 HydrophobicContact CG1-CG1 4.38Å; I223-V229 HydrophobicContact CG1-CG2 4.23Å; I223-V229 HydrophobicContact CG2-CG2 4.39Å |
| 230 | V | 98.5 | Very high | 97.7 | Very high | 23 Ų | 23 | 36.6 Ų | 36.6 | 14% | 0.139 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 136.8 | 165 | -177.4 | 0 | 0 | 0 | 0 | 107.3 | V179 S180 T181 A221 L222 F224 T232 | V179-V230 HydrophobicContact CG1-CG1 4.22Å; S180-V230 CarbonylContact O-C 3.55Å; S180-V230 WeakPolarHBondContact O-CA 3.47Å; T181-V230 HydrophobicContact CG2-CG2 4.02Å; A221-V230 CarbonylContact C-O 3.58Å; A221-V230 WeakPolarHBondContact CA-O 3.23Å; L222-V230 HydrophobicContact CB-CB 4.25Å; L222-V230 HydrophobicContact CD1-CB 4.49Å; L222-V230 PolarHBondContact N-O 2.76Å; L222-V230 PolarHBondContact O-N 2.87Å; F224-V230 HydrophobicContact CE2-CG2 3.98Å; V230-T232 HydrophobicContact CG1-CG2 4.23Å |
| 231 | C | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.4 | 178.8 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | V179 S180 | V179-C231 WeakPolarHBondContact CA-O 3.27Å; S180-C231 PolarHBondContact N-O 3.4Å; S180-C231 PolarHBondContact O-N 2.91Å |
| 232 | T | 98 | Very high | 97.7 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 161.9 | -175.6 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | V179 T219 T220 V230 | V179-T232 HydrophobicContact CB-CG2 4.49Å; V179-T232 HydrophobicContact CG1-CG2 4.09Å; V179-T232 HydrophobicContact CG2-CG2 4.05Å; T219-T232 CarbonylContact C-O 3.54Å; T219-T232 VanDerWaalsContact CA-O 3.25Å; T219-T232 WeakPolarHBondContact CA-O 3.35Å; T219-T232 VanDerWaalsContact CB-O 3.27Å; T219-T232 WeakPolarHBondContact CB-O 3.34Å; T220-T232 PolarHBondContact N-O 2.92Å; T220-T232 PolarHBondContact O-N 3.47Å; T220-T232 PolarHBondContact O-OG1 2.91Å; V230-T232 HydrophobicContact CG1-CG2 4.23Å |
| 233 | G | 95.9 | Very high | 97.7 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 37% | 0.371 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.3 | -3.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N177 | N177-G233 WeakPolarHBondContact OD1-CA 3.31Å; N177-G233 PolarHBondContact OD1-N 2.84Å |
| 234 | A | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 145.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | N177 V178 T219 E239 | N177-A234 CarbonylContact C-O 3.57Å; N177-A234 VanDerWaalsContact CA-O 3.31Å; N177-A234 WeakPolarHBondContact CA-O 3.49Å; V178-A234 PolarHBondContact N-O 2.92Å; T219-A234 HydrophobicContact CG2-CB 3.96Å; A234-E239 HydrophobicContact CB-CB 3.86Å |
| 235 | K | 95.7 | Very high | 97.6 | Very high | 125 Ų | 125 | 43.9 Ų | 43.9 | 54% | 0.543 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -92.7 | -13.4 | 177 | -67 | -171.7 | 174.6 | -170.2 | 0 | 113.5 | L175 E239 | L175-K235 VanDerWaalsContact CB-O 3.23Å; L175-K235 WeakPolarHBondContact CB-O 3.5Å; K235-E239 PolarHBondContact N-OE2 3.01Å |
| 236 | S | 97.4 | Very high | 97.7 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 18% | 0.175 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -137.5 | 165.2 | 172.8 | 92.2 | 0 | 0 | 0 | 0 | 113.1 | E238 E239 S240 | S236-E238 VanDerWaalsContact C-N 3.29Å; S236-E238 WeakPolarHBondContact CB-OE2 3.19Å; S236-E238 PolarHBondContact OG-N 3.39Å; S236-E238 PolarHBondContact OG-OE2 3.28Å; S236-E239 PolarHBondContact O-N 2.85Å; S236-E239 PolarHBondContact OG-N 2.82Å; S236-E239 VanDerWaalsContact OG-N 3.11Å; S236-S240 WeakPolarHBondContact O-CB 3.37Å; S236-S240 PolarHBondContact O-N 2.85Å |
| 237 | E | 97.1 | Very high | 97.7 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 17% | 0.168 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -35.4 | 176.8 | -57.3 | 90.5 | 115.8 | 0 | 0 | 111.4 | L175 V178 R241 I265 M268 R328 | L175-E237 WeakPolarHBondContact CD1-OE2 3.29Å; V178-E237 HydrophobicContact CG1-CG 4.47Å; E237-R241 WeakPolarHBondContact O-CB 3.27Å; E237-R241 PolarHBondContact O-N 2.85Å; E237-I265 HydrophobicContact CB-CD1 4.26Å; E237-I265 HydrophobicContact CG-CD1 4.37Å; E237-I265 HydrophobicContact CG-CG1 4.28Å; E237-M268 HydrophobicContact CG-CE 3.84Å; E237-M268 HydrophobicContact CG-SD 4.16Å; E237-M268 WeakPolarHBondContact OE1-CE 3.31Å; E237-R328 IonicContact OE1-CZ 3.68Å; E237-R328 VanDerWaalsContact OE1-CZ 3.3Å; E237-R328 IonicContact OE1-NE 3.42Å; E237-R328 PolarHBondContact OE1-NE 3.21Å; E237-R328 IonicContact OE1-NH2 3.94Å; E237-R328 PolarHBondContact OE1-NH2 2.95Å; E237-R328 IonicContact OE2-CZ 2.64Å; E237-R328 IonicContact OE2-NE 3.61Å; E237-R328 PolarHBondContact OE2-NE 2.95Å; E237-R328 IonicContact OE2-NH2 2.66Å; E237-R328 PolarHBondContact OE2-NH2 3.46Å |
| 238 | E | 97.6 | Very high | 97.7 | Very high | 111 Ų | 111 | 40.5 Ų | 40.5 | 52% | 0.519 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.1 | -46 | 176 | -51.3 | 76.6 | -164.5 | 0 | 0 | 111 | S236 S240 R241 L242 R328 | S236-E238 VanDerWaalsContact C-N 3.29Å; S236-E238 WeakPolarHBondContact CB-OE2 3.19Å; S236-E238 PolarHBondContact OG-N 3.39Å; S236-E238 PolarHBondContact OG-OE2 3.28Å; E238-S240 VanDerWaalsContact C-N 3.32Å; E238-S240 PolarHBondContact O-N 2.83Å; E238-R241 PolarHBondContact O-N 2.75Å; E238-L242 WeakPolarHBondContact O-CB 3.38Å; E238-L242 PolarHBondContact O-N 2.96Å; E238-R328 IonicContact OE1-NH2 2.79Å; E238-R328 PolarHBondContact OE1-NH2 2.83Å; E238-R328 IonicContact OE2-NH2 3.19Å |
| 239 | E | 97.8 | Very high | 97.7 | Very high | 71 Ų | 71 | 40.9 Ų | 40.9 | 33% | 0.332 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.4 | -44.1 | 171.2 | -77.8 | -170.7 | 168.3 | 0 | 0 | 111.5 | P217 A234 K235 S236 R241 L242 A243 | P217-E239 HydrophobicContact CB-CB 4.12Å; P217-E239 HydrophobicContact CB-CG 4.09Å; P217-E239 HydrophobicContact CG-CB 4.09Å; P217-E239 HydrophobicContact CG-CG 4.47Å; A234-E239 HydrophobicContact CB-CB 3.86Å; K235-E239 PolarHBondContact N-OE2 3.01Å; S236-E239 PolarHBondContact O-N 2.85Å; S236-E239 PolarHBondContact OG-N 2.82Å; S236-E239 VanDerWaalsContact OG-N 3.11Å; E239-R241 VanDerWaalsContact C-N 3.31Å; E239-R241 PolarHBondContact O-N 2.95Å; E239-L242 PolarHBondContact O-N 2.84Å; E239-A243 VanDerWaalsContact O-CB 3.3Å; E239-A243 WeakPolarHBondContact O-CB 3.45Å; E239-A243 PolarHBondContact O-N 3.06Å |
| 240 | S | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -38.5 | -180 | -156.8 | 0 | 0 | 0 | 0 | 111.3 | V178 S180 S236 E238 A244 | V178-S240 PolarHBondContact O-OG 3.31Å; S180-S240 WeakPolarHBondContact CB-OG 3.33Å; S180-S240 PolarHBondContact OG-OG 2.92Å; S236-S240 WeakPolarHBondContact O-CB 3.37Å; S236-S240 PolarHBondContact O-N 2.85Å; E238-S240 VanDerWaalsContact C-N 3.32Å; E238-S240 PolarHBondContact O-N 2.83Å; S240-A244 WeakPolarHBondContact O-CB 3.34Å; S240-A244 PolarHBondContact O-N 2.85Å |
| 241 | R | 98.1 | Very high | 97.6 | Very high | 137 Ų | 137 | 42.3 Ų | 42.3 | 52% | 0.517 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68 | -44.1 | 173.8 | -170.4 | -177.4 | -63.7 | -122.1 | 0.9 | 112.5 | E237 E238 E239 A244 R245 F263 | E237-R241 WeakPolarHBondContact O-CB 3.27Å; E237-R241 PolarHBondContact O-N 2.85Å; E238-R241 PolarHBondContact O-N 2.75Å; E239-R241 VanDerWaalsContact C-N 3.31Å; E239-R241 PolarHBondContact O-N 2.95Å; R241-A244 PolarHBondContact O-N 2.97Å; R241-R245 PolarHBondContact O-N 3.37Å; R241-F263 HydrophobicContact CB-CD1 4.47Å; R241-F263 HydrophobicContact CB-CE1 3.87Å; R241-F263 HydrophobicContact CB-CE2 4.08Å; R241-F263 HydrophobicContact CB-CZ 3.64Å; R241-F263 HydrophobicContact CG-CD1 4.22Å; R241-F263 HydrophobicContact CG-CE1 4.11Å; R241-F263 HydrophobicContact CG-CE2 4.43Å; R241-F263 HydrophobicContact CG-CG 4.44Å; R241-F263 HydrophobicContact CG-CZ 4.22Å |
| 242 | L | 98.3 | Very high | 97.5 | Very high | 69 Ų | 69 | 46 Ų | 46 | 36% | 0.361 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 177.2 | 178.2 | 60 | 0 | 0 | 0 | 111.2 | L12 E238 E239 R245 K246 | L12-L242 HydrophobicContact CD2-CD1 3.95Å; E238-L242 WeakPolarHBondContact O-CB 3.38Å; E238-L242 PolarHBondContact O-N 2.96Å; E239-L242 PolarHBondContact O-N 2.84Å; L242-R245 PolarHBondContact O-N 3.32Å; L242-K246 WeakPolarHBondContact O-CG 3.44Å; L242-K246 PolarHBondContact O-N 3.19Å |
| 243 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.2 | -52 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | P217 T219 E239 R245 K246 Y247 | P217-A243 HydrophobicContact CG-CB 3.9Å; T219-A243 HydrophobicContact CG2-CB 3.84Å; E239-A243 VanDerWaalsContact O-CB 3.3Å; E239-A243 WeakPolarHBondContact O-CB 3.45Å; E239-A243 PolarHBondContact O-N 3.06Å; A243-R245 VanDerWaalsContact C-N 3.28Å; A243-R245 PolarHBondContact O-N 2.85Å; A243-K246 PolarHBondContact O-N 2.89Å; A243-Y247 HydrophobicContact CB-CD2 4.41Å; A243-Y247 HydrophobicContact CB-CE2 4.13Å; A243-Y247 WeakPolarHBondContact O-CD2 3.34Å; A243-Y247 PolarHBondContact O-N 3.4Å |
| 244 | A | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -36.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A182 S240 R241 A248 F260 F263 | A182-A244 HydrophobicContact CB-CB 4.46Å; S240-A244 WeakPolarHBondContact O-CB 3.34Å; S240-A244 PolarHBondContact O-N 2.85Å; R241-A244 PolarHBondContact O-N 2.97Å; A244-A248 WeakPolarHBondContact O-CB 3.44Å; A244-A248 PolarHBondContact O-N 3.49Å; A244-F260 HydrophobicContact CB-CE2 3.69Å; A244-F260 HydrophobicContact CB-CZ 3.95Å; A244-F263 HydrophobicContact CB-CD2 4.03Å; A244-F263 HydrophobicContact CB-CE2 3.94Å |
| 245 | R | 97.9 | Very high | 97.4 | Very high | 65 Ų | 65 | 52.8 Ų | 52.8 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 169.6 | -76.5 | 178.4 | 76.5 | 163.8 | 6.6 | 112.5 | E8 D9 R241 L242 A243 Y247 A248 R249 F260 | E8-R245 IonicContact OE1-NH1 3.77Å; E8-R245 IonicContact OE2-CZ 3.7Å; E8-R245 IonicContact OE2-NH1 3.59Å; E8-R245 PolarHBondContact OE2-NH1 3.05Å; E8-R245 IonicContact OE2-NH2 3.97Å; E8-R245 PolarHBondContact OE2-NH2 3.26Å; D9-R245 IonicContact OD1-NH2 2.71Å; R241-R245 PolarHBondContact O-N 3.37Å; L242-R245 PolarHBondContact O-N 3.32Å; A243-R245 VanDerWaalsContact C-N 3.28Å; A243-R245 PolarHBondContact O-N 2.85Å; R245-Y247 VanDerWaalsContact C-N 3.35Å; R245-Y247 PolarHBondContact O-N 3.05Å; R245-A248 WeakPolarHBondContact O-CB 3.43Å; R245-A248 PolarHBondContact O-N 3.1Å; R245-R249 WeakPolarHBondContact O-CB 3.3Å; R245-R249 PolarHBondContact O-N 3.24Å; R245-F260 HydrophobicContact CG-CD1 4.22Å; R245-F260 HydrophobicContact CG-CE1 3.98Å; R245-F260 HydrophobicContact CG-CE2 4.31Å; R245-F260 HydrophobicContact CG-CG 4.48Å; R245-F260 HydrophobicContact CG-CZ 4.02Å |
| 246 | K | 97.8 | Very high | 97.4 | Very high | 31 Ų | 31 | 48 Ų | 48 | 14% | 0.135 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 176.2 | -73.5 | -172.8 | -179.4 | -171.2 | 0 | 111.2 | I214 E216 L242 A243 R249 V250 | I214-K246 HydrophobicContact CD1-CB 3.93Å; I214-K246 HydrophobicContact CD1-CD 4.03Å; E216-K246 WeakPolarHBondContact O-CD 3.37Å; E216-K246 PolarHBondContact O-NZ 2.71Å; L242-K246 WeakPolarHBondContact O-CG 3.44Å; L242-K246 PolarHBondContact O-N 3.19Å; A243-K246 PolarHBondContact O-N 2.89Å; K246-R249 PolarHBondContact O-N 3.02Å; K246-V250 WeakPolarHBondContact O-CG2 3.2Å; K246-V250 PolarHBondContact O-N 2.89Å |
| 247 | Y | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 174 | -70.6 | -64.6 | 0 | 0 | 0 | 112.6 | M212 I214 T219 T220 A221 A243 R245 R249 V250 V251 | M212-Y247 HydrophobicContact CB-CD1 4.18Å; M212-Y247 HydrophobicContact CB-CE1 3.94Å; M212-Y247 HydrophobicContact CG-CD1 4.01Å; M212-Y247 HydrophobicContact CG-CE1 3.84Å; M212-Y247 PolarHBondContact O-OH 2.91Å; M212-Y247 HydrophobicContact SD-CD1 3.68Å; M212-Y247 HydrophobicContact SD-CE1 4.13Å; I214-Y247 HydrophobicContact CD1-CE2 4.12Å; I214-Y247 HydrophobicContact CG1-CE1 4.43Å; I214-Y247 HydrophobicContact CG1-CE2 4.34Å; I214-Y247 HydrophobicContact CG2-CD1 4.45Å; I214-Y247 HydrophobicContact CG2-CE1 3.82Å; I214-Y247 PolarHBondContact N-OH 2.9Å; T219-Y247 PolarHBondContact O-OH 3Å; T219-Y247 VanDerWaalsContact O-OH 3.05Å; T219-Y247 PolarHBondContact OG1-OH 3.02Å; T219-Y247 VanDerWaalsContact OG1-OH 3.07Å; T220-Y247 WeakPolarHBondContact CA-OH 3.39Å; T220-Y247 PolarHBondContact N-OH 3.1Å; A221-Y247 HydrophobicContact CB-CD1 3.62Å; A221-Y247 HydrophobicContact CB-CD2 3.59Å; A221-Y247 HydrophobicContact CB-CE1 3.59Å; A221-Y247 HydrophobicContact CB-CE2 3.6Å; A221-Y247 HydrophobicContact CB-CG 3.63Å; A221-Y247 PolarHBondContact N-OH 3.11Å; A243-Y247 HydrophobicContact CB-CD2 4.41Å; A243-Y247 HydrophobicContact CB-CE2 4.13Å; A243-Y247 WeakPolarHBondContact O-CD2 3.34Å; A243-Y247 PolarHBondContact O-N 3.4Å; R245-Y247 VanDerWaalsContact C-N 3.35Å; R245-Y247 PolarHBondContact O-N 3.05Å; Y247-R249 PolarHBondContact O-N 3.09Å; Y247-V250 PolarHBondContact O-N 3.46Å; Y247-V251 PolarHBondContact O-N 3.25Å; Y247-V251 VanDerWaalsContact O-N 3.13Å |
| 248 | A | 97.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 5% | 0.05 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L184 A244 R245 V251 Q252 V258 F260 | L184-A248 HydrophobicContact CD2-CB 3.49Å; L184-A248 VanDerWaalsContact CD2-CB 3.49Å; A244-A248 WeakPolarHBondContact O-CB 3.44Å; A244-A248 PolarHBondContact O-N 3.49Å; R245-A248 WeakPolarHBondContact O-CB 3.43Å; R245-A248 PolarHBondContact O-N 3.1Å; A248-V251 PolarHBondContact O-N 2.84Å; A248-Q252 WeakPolarHBondContact O-CB 3.35Å; A248-Q252 PolarHBondContact O-N 2.83Å; A248-V258 HydrophobicContact CB-CG1 4.07Å; A248-F260 HydrophobicContact CB-CB 4.47Å; A248-F260 HydrophobicContact CB-CD2 3.91Å |
| 249 | R | 97.1 | Very high | 97.3 | Very high | 71 Ų | 71 | 53.7 Ų | 53.7 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 177.5 | -172.8 | 62.8 | 164.9 | 169.5 | -4.6 | 112.3 | D13 L16 R245 K246 Y247 Q252 K253 | D13-R249 IonicContact OD1-CZ 2.76Å; D13-R249 IonicContact OD1-NE 2.83Å; D13-R249 IonicContact OD1-NH2 3.39Å; D13-R249 PolarHBondContact OD1-NH2 3.18Å; D13-R249 IonicContact OD2-CZ 3.86Å; D13-R249 IonicContact OD2-NH2 3.26Å; D13-R249 PolarHBondContact OD2-NH2 3.23Å; L16-R249 HydrophobicContact CD1-CG 4.49Å; R245-R249 WeakPolarHBondContact O-CB 3.3Å; R245-R249 PolarHBondContact O-N 3.24Å; K246-R249 PolarHBondContact O-N 3.02Å; Y247-R249 PolarHBondContact O-N 3.09Å; R249-Q252 PolarHBondContact O-N 3.13Å; R249-K253 WeakPolarHBondContact O-CG 3.47Å; R249-K253 PolarHBondContact O-N 3.08Å |
| 250 | V | 96.6 | Very high | 97.2 | Very high | 57 Ų | 57 | 53.7 Ų | 53.7 | 35% | 0.345 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 172.9 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | M212 K246 Y247 Q252 K253 L254 | M212-V250 HydrophobicContact CE-CG1 4.01Å; M212-V250 HydrophobicContact SD-CB 4.35Å; M212-V250 HydrophobicContact SD-CG1 3.89Å; K246-V250 WeakPolarHBondContact O-CG2 3.2Å; K246-V250 PolarHBondContact O-N 2.89Å; Y247-V250 PolarHBondContact O-N 3.46Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 2.86Å; V250-K253 PolarHBondContact O-N 2.91Å; V250-L254 PolarHBondContact O-N 3.39Å |
| 251 | V | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.4 | -34.6 | 178.8 | -179 | 0 | 0 | 0 | 0 | 111.4 | L184 L188 I193 I223 Y247 A248 L254 F256 V258 | L184-V251 HydrophobicContact CD1-CB 4.19Å; L184-V251 HydrophobicContact CD1-CG1 4.21Å; L184-V251 HydrophobicContact CD1-CG2 4.18Å; L188-V251 HydrophobicContact CD1-CG1 4.25Å; L188-V251 HydrophobicContact CD2-CG1 3.74Å; I193-V251 HydrophobicContact CD1-CG1 4.14Å; I193-V251 HydrophobicContact CD1-CG2 4.44Å; I223-V251 HydrophobicContact CD1-CG2 4.03Å; Y247-V251 PolarHBondContact O-N 3.25Å; Y247-V251 VanDerWaalsContact O-N 3.13Å; A248-V251 PolarHBondContact O-N 2.84Å; V251-L254 PolarHBondContact O-N 2.76Å; V251-F256 HydrophobicContact CG1-CB 4.06Å; V251-F256 HydrophobicContact CG1-CD2 3.85Å; V251-F256 HydrophobicContact CG1-CG 4.16Å; V251-F256 WeakPolarHBondContact O-CD2 3.26Å; V251-V258 HydrophobicContact CB-CG2 4.05Å; V251-V258 HydrophobicContact CG1-CG2 3.69Å |
| 252 | Q | 97 | Very high | 96.9 | Very high | 79 Ų | 79 | 56.7 Ų | 56.7 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 172.9 | -167 | -172.6 | 46.9 | 0 | 0 | 111.9 | A248 R249 V250 L254 G255 V258 | A248-Q252 WeakPolarHBondContact O-CB 3.35Å; A248-Q252 PolarHBondContact O-N 2.83Å; R249-Q252 PolarHBondContact O-N 3.13Å; V250-Q252 VanDerWaalsContact C-N 3.28Å; V250-Q252 PolarHBondContact O-N 2.86Å; Q252-L254 PolarHBondContact O-N 2.93Å; Q252-L254 VanDerWaalsContact O-N 3.15Å; Q252-G255 PolarHBondContact O-N 3.31Å; Q252-V258 HydrophobicContact CB-CB 4.05Å; Q252-V258 HydrophobicContact CB-CG2 4.32Å; Q252-V258 HydrophobicContact CG-CB 4.37Å |
| 253 | K | 97 | Very high | 96.9 | Very high | 125 Ų | 125 | 55.1 Ų | 55.1 | 54% | 0.543 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.8 | -13.7 | 177 | -72.1 | -173.3 | -178.8 | -175.7 | 0 | 113.1 | D13 R249 V250 G255 | D13-K253 IonicContact OD1-NZ 2.79Å; D13-K253 PolarHBondContact OD1-NZ 3.48Å; R249-K253 WeakPolarHBondContact O-CG 3.47Å; R249-K253 PolarHBondContact O-N 3.08Å; V250-K253 PolarHBondContact O-N 2.91Å; K253-G255 VanDerWaalsContact C-N 3.3Å |
| 254 | L | 96.3 | Very high | 96.9 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 18% | 0.183 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 6.5 | 168.6 | -63 | 179.6 | 0 | 0 | 0 | 114.4 | K192 I193 N196 A197 V250 V251 Q252 F256 | K192-L254 WeakPolarHBondContact CE-O 3.5Å; K192-L254 PolarHBondContact NZ-O 3.27Å; I193-L254 HydrophobicContact CB-CD1 4.46Å; I193-L254 HydrophobicContact CG1-CD1 4.3Å; I193-L254 HydrophobicContact CG2-CD1 4.32Å; N196-L254 HydrophobicContact CB-CD2 3.67Å; A197-L254 HydrophobicContact CB-CD1 4.31Å; V250-L254 PolarHBondContact O-N 3.39Å; V251-L254 PolarHBondContact O-N 2.76Å; Q252-L254 PolarHBondContact O-N 2.93Å; Q252-L254 VanDerWaalsContact O-N 3.15Å; L254-F256 HydrophobicContact CB-CD2 3.98Å; L254-F256 HydrophobicContact CB-CE2 4.12Å |
| 255 | G | 95.9 | Very high | 96.9 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 62% | 0.619 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 31.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q252 K253 | Q252-G255 PolarHBondContact O-N 3.31Å; K253-G255 VanDerWaalsContact C-N 3.3Å |
| 256 | F | 96.8 | Very high | 96.9 | Very high | 24 Ų | 24 | 60.9 Ų | 60.9 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | trans | -96.6 | 143.8 | 167.4 | -68.2 | -84.5 | 0 | 0 | 0 | 110.3 | L188 D189 K192 I193 V251 L254 V258 | L188-F256 HydrophobicContact CD2-CB 3.99Å; L188-F256 HydrophobicContact CD2-CD1 3.63Å; L188-F256 HydrophobicContact CD2-CD2 4.36Å; L188-F256 HydrophobicContact CD2-CE1 4.14Å; L188-F256 HydrophobicContact CD2-CG 3.75Å; D189-F256 HydrophobicContact CB-CE1 4.48Å; D189-F256 HydrophobicContact CB-CZ 4.41Å; K192-F256 HydrophobicContact CB-CZ 4.2Å; K192-F256 HydrophobicContact CD-CE2 4.14Å; K192-F256 HydrophobicContact CD-CZ 3.79Å; K192-F256 HydrophobicContact CG-CE2 4.4Å; K192-F256 HydrophobicContact CG-CZ 4.18Å; I193-F256 HydrophobicContact CD1-CE2 4.17Å; I193-F256 HydrophobicContact CD1-CZ 4.37Å; I193-F256 HydrophobicContact CG1-CD2 4.38Å; I193-F256 HydrophobicContact CG1-CE2 3.54Å; I193-F256 HydrophobicContact CG1-CZ 3.9Å; V251-F256 HydrophobicContact CG1-CB 4.06Å; V251-F256 HydrophobicContact CG1-CD2 3.85Å; V251-F256 HydrophobicContact CG1-CG 4.16Å; V251-F256 WeakPolarHBondContact O-CD2 3.26Å; L254-F256 HydrophobicContact CB-CD2 3.98Å; L254-F256 HydrophobicContact CB-CE2 4.12Å; F256-V258 HydrophobicContact CB-CG2 4.02Å; F256-V258 PolarHBondContact O-N 3.49Å | ||
| 257 | P | 96.4 | Very high | 96.9 | Very high | 101 Ų | 101 | 60.8 Ų | 60.8 | 66% | 0.656 | 30% | 0.304 | S | S | * | . | trans | -77.4 | 63.5 | -179.5 | 33.3 | -35.9 | 0 | 0 | 0 | 111.6 | C186 | C186-P257 HydrophobicContact CB-CG 3.99Š| ||
| 258 | V | 97.1 | Very high | 96.9 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | trans | -72.1 | 134.3 | -176.1 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | L184 A248 V251 Q252 F256 | L184-V258 HydrophobicContact CB-CG1 4.04Å; L184-V258 HydrophobicContact CB-CG2 4.39Å; L184-V258 HydrophobicContact CD2-CG1 3.81Å; L184-V258 HydrophobicContact CG-CG1 4.36Å; L184-V258 WeakPolarHBondContact O-CA 3.47Å; A248-V258 HydrophobicContact CB-CG1 4.07Å; V251-V258 HydrophobicContact CB-CG2 4.05Å; V251-V258 HydrophobicContact CG1-CG2 3.69Å; Q252-V258 HydrophobicContact CB-CB 4.05Å; Q252-V258 HydrophobicContact CB-CG2 4.32Å; Q252-V258 HydrophobicContact CG-CB 4.37Å; F256-V258 HydrophobicContact CB-CG2 4.02Å; F256-V258 PolarHBondContact O-N 3.49Å | ||
| 259 | R | 95.6 | Very high | 96.9 | Very high | 178 Ų | 178 | 60.7 Ų | 60.7 | 67% | 0.672 | 30% | 0.302 | S | S | * | . | trans | -128.3 | 126.7 | 161.6 | -59.2 | 179.8 | -68.9 | 170.6 | -1.1 | 108.9 | N183 L184 A185 F261 | N183-R259 VanDerWaalsContact O-O 3.1Å; L184-R259 CarbonylContact C-O 3.18Å; L184-R259 VanDerWaalsContact CA-O 3.28Å; L184-R259 WeakPolarHBondContact CA-O 3.12Å; L184-R259 PolarHBondContact O-N 3.25Å; A185-R259 HydrophobicContact CB-CB 3.9Å; R259-F261 PolarHBondContact O-N 3.33Å | ||
| 260 | F | 96.3 | Very high | 97 | Very high | 72 Ų | 72 | 57.3 Ų | 57.3 | 32% | 0.316 | 29% | 0.289 | S | S | . | . | trans | -79.1 | 113.7 | 178.9 | -176 | -101.5 | 0 | 0 | 0 | 110.3 | A182 A244 R245 A248 F263 | A182-F260 HydrophobicContact CB-CD2 4.14Å; A182-F260 HydrophobicContact CB-CE2 3.55Å; A182-F260 HydrophobicContact CB-CZ 4.12Å; A244-F260 HydrophobicContact CB-CE2 3.69Å; A244-F260 HydrophobicContact CB-CZ 3.95Å; R245-F260 HydrophobicContact CG-CD1 4.22Å; R245-F260 HydrophobicContact CG-CE1 3.98Å; R245-F260 HydrophobicContact CG-CE2 4.31Å; R245-F260 HydrophobicContact CG-CG 4.48Å; R245-F260 HydrophobicContact CG-CZ 4.02Å; A248-F260 HydrophobicContact CB-CB 4.47Å; A248-F260 HydrophobicContact CB-CD2 3.91Å; F260-F263 HydrophobicContact CE1-CB 3.92Å; F260-F263 HydrophobicContact CE1-CG 4.46Å; F260-F263 HydrophobicContact CZ-CB 3.85Å; F260-F263 AromaticContact CZ-CD2 3.77Å; F260-F263 HydrophobicContact CZ-CD2 3.77Å; F260-F263 HydrophobicContact CZ-CG 4.07Å | ||
| 261 | F | 93.7 | Very high | 97 | Very high | 78 Ų | 78 | 55 Ų | 55 | 34% | 0.342 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 168.6 | 178.5 | 82.6 | -68.7 | 0 | 0 | 0 | 112.6 | N183 A185 R259 F263 | N183-F261 HydrophobicContact CB-CD1 3.86Å; N183-F261 HydrophobicContact CB-CE1 3.34Å; N183-F261 HydrophobicContact CB-CE2 4.46Å; N183-F261 HydrophobicContact CB-CZ 3.69Å; N183-F261 VanDerWaalsContact CG-CZ 3.47Å; N183-F261 PolarHBondContact N-O 3.04Å; N183-F261 VanDerWaalsContact O-CD1 3.23Å; N183-F261 WeakPolarHBondContact O-CD1 3.18Å; N183-F261 PolarHBondContact O-N 3.43Å; N183-F261 WeakPolarHBondContact OD1-CE1 3.4Å; A185-F261 HydrophobicContact CB-CD1 3.79Å; A185-F261 HydrophobicContact CB-CE1 3.54Å; A185-F261 HydrophobicContact CB-CZ 4.49Å; R259-F261 PolarHBondContact O-N 3.33Å; F261-F263 VanDerWaalsContact C-N 3.28Å; F261-F263 PolarHBondContact O-N 2.95Å |
| 262 | N | 96.3 | Very high | 97 | Very high | 121 Ų | 121 | 55.4 Ų | 55.4 | 65% | 0.647 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.7 | 44 | -179.9 | -67.7 | 7.1 | 0 | 0 | 0 | 114 | K264 | N262-K264 PolarHBondContact O-N 3.5Å |
| 263 | F | 98.3 | Very high | 97.1 | Very high | 36 Ų | 36 | 53.2 Ų | 53.2 | 16% | 0.158 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 124.4 | 168.7 | 179.8 | -93.8 | 0 | 0 | 0 | 110.2 | S180 T181 A182 R241 A244 F260 F261 I265 | S180-F263 WeakPolarHBondContact OG-CE2 3.01Å; T181-F263 CarbonylContact O-C 3.57Å; T181-F263 VanDerWaalsContact O-CA 3.28Å; T181-F263 WeakPolarHBondContact O-CA 3.47Å; A182-F263 HydrophobicContact CB-CD2 4.35Å; R241-F263 HydrophobicContact CB-CD1 4.47Å; R241-F263 HydrophobicContact CB-CE1 3.87Å; R241-F263 HydrophobicContact CB-CE2 4.08Å; R241-F263 HydrophobicContact CB-CZ 3.64Å; R241-F263 HydrophobicContact CG-CD1 4.22Å; R241-F263 HydrophobicContact CG-CE1 4.11Å; R241-F263 HydrophobicContact CG-CE2 4.43Å; R241-F263 HydrophobicContact CG-CG 4.44Å; R241-F263 HydrophobicContact CG-CZ 4.22Å; A244-F263 HydrophobicContact CB-CD2 4.03Å; A244-F263 HydrophobicContact CB-CE2 3.94Å; F260-F263 HydrophobicContact CE1-CB 3.92Å; F260-F263 HydrophobicContact CE1-CG 4.46Å; F260-F263 HydrophobicContact CZ-CB 3.85Å; F260-F263 AromaticContact CZ-CD2 3.77Å; F260-F263 HydrophobicContact CZ-CD2 3.77Å; F260-F263 HydrophobicContact CZ-CG 4.07Å; F261-F263 VanDerWaalsContact C-N 3.28Å; F261-F263 PolarHBondContact O-N 2.95Å; F263-I265 HydrophobicContact CE1-CD1 3.78Å; F263-I265 HydrophobicContact CZ-CD1 3.69Å |
| 264 | K | 97.9 | Very high | 97.1 | Very high | 120 Ų | 120 | 47.4 Ų | 47.4 | 52% | 0.522 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 137.9 | -179.1 | 177.3 | 171.1 | 179.9 | -178.3 | 0 | 110.8 | S180 T181 N262 | S180-K264 CarbonylContact C-O 3.58Å; S180-K264 VanDerWaalsContact CA-O 3.3Å; S180-K264 WeakPolarHBondContact CA-O 3.24Å; S180-K264 WeakPolarHBondContact CB-O 3.38Å; T181-K264 PolarHBondContact N-O 3.04Å; T181-K264 PolarHBondContact O-N 2.7Å; N262-K264 PolarHBondContact O-N 3.5Å |
| 265 | I | 98.3 | Very high | 97.1 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 133.3 | 167.8 | -51.9 | -52.6 | 0 | 0 | 0 | 108.9 | V178 E237 F263 M268 | V178-I265 HydrophobicContact CG1-CD1 3.84Å; V178-I265 HydrophobicContact CG1-CG2 4.03Å; E237-I265 HydrophobicContact CB-CD1 4.26Å; E237-I265 HydrophobicContact CG-CD1 4.37Å; E237-I265 HydrophobicContact CG-CG1 4.28Å; F263-I265 HydrophobicContact CE1-CD1 3.78Å; F263-I265 HydrophobicContact CZ-CD1 3.69Å; I265-M268 HydrophobicContact CG2-CG 3.59Å; I265-M268 HydrophobicContact CG2-SD 4.1Å |
| 266 | Q | 97.8 | Very high | 97.1 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -35.8 | -177.4 | -61.9 | -67.4 | 0.8 | 0 | 0 | 112.5 | L78 V179 T181 | L78-Q266 HydrophobicContact CD1-CB 4.17Å; V179-Q266 HydrophobicContact CG1-CB 4.41Å; V179-Q266 PolarHBondContact O-N 3.38Å; T181-Q266 HydrophobicContact CG2-CG 3.81Å; T181-Q266 PolarHBondContact OG1-NE2 3.2Å |
| 267 | N | 97.8 | Very high | 97.2 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 144.5 | 173.8 | -175.3 | 26.3 | 0 | 0 | 0 | 110.3 | V179 T323 G324 A325 | V179-N267 HydrophobicContact CB-CB 4.16Å; V179-N267 HydrophobicContact CG2-CB 4.41Å; V179-N267 PolarHBondContact N-O 2.99Å; V179-N267 PolarHBondContact O-N 2.88Å; N267-T323 PolarHBondContact ND2-OG1 2.91Å; N267-T323 PolarHBondContact OD1-OG1 2.94Å; N267-G324 VanDerWaalsContact OD1-CA 3.31Å; N267-G324 WeakPolarHBondContact OD1-CA 3.48Å; N267-G324 PolarHBondContact OD1-N 3.31Å; N267-A325 CarbonylContact C-O 3.57Å; N267-A325 VanDerWaalsContact CA-O 3.3Å; N267-A325 WeakPolarHBondContact CA-O 3.38Å |
| 268 | M | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.9 | 172 | -62.3 | -175.9 | 65.7 | 0 | 0 | 109.1 | L175 V178 E237 I265 A325 R328 I331 | L175-M268 HydrophobicContact CD1-CE 3.59Å; L175-M268 HydrophobicContact CD2-CE 3.71Å; L175-M268 HydrophobicContact CG-CE 4.33Å; V178-M268 HydrophobicContact CG1-CG 4.37Å; V178-M268 HydrophobicContact CG2-CE 4.19Å; V178-M268 HydrophobicContact CG2-CG 4.43Å; E237-M268 HydrophobicContact CG-CE 3.84Å; E237-M268 HydrophobicContact CG-SD 4.16Å; E237-M268 WeakPolarHBondContact OE1-CE 3.31Å; I265-M268 HydrophobicContact CG2-CG 3.59Å; I265-M268 HydrophobicContact CG2-SD 4.1Å; M268-A325 HydrophobicContact CB-CB 4.42Å; M268-A325 PolarHBondContact N-O 3.19Å; M268-R328 HydrophobicContact CE-CB 3.97Å; M268-R328 HydrophobicContact CE-CG 4.17Å; M268-I331 HydrophobicContact CB-CD1 3.77Å |
| 269 | V | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 118 | 178.1 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | L71 Q176 N177 V321 L322 | L71-V269 HydrophobicContact CD1-CG1 4.25Å; Q176-V269 PolarHBondContact N-O 2.99Å; N177-V269 HydrophobicContact CB-CB 4.21Å; N177-V269 HydrophobicContact CB-CG2 4.33Å; N177-V269 PolarHBondContact N-O 3.37Å; N177-V269 PolarHBondContact O-N 3.2Å; V269-V321 HydrophobicContact CG1-CG1 3.72Å; V269-L322 CarbonylContact C-O 3.54Å; V269-L322 VanDerWaalsContact CA-O 3.31Å; V269-L322 WeakPolarHBondContact CA-O 3.5Å |
| 270 | G | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 159.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q174 V321 L322 | Q174-G270 CarbonylContact O-C 3.51Å; Q174-G270 WeakPolarHBondContact O-CA 3.3Å; G270-V321 CarbonylContact O-C 3.55Å; G270-V321 WeakPolarHBondContact O-CA 3.48Å; G270-L322 PolarHBondContact N-O 3.36Å; G270-L322 PolarHBondContact O-N 2.85Å |
| 271 | S | 97.8 | Very high | 97.3 | Very high | 8 Ų | 8 | 44 Ų | 44 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 151.5 | 167.4 | 68.9 | 0 | 0 | 0 | 0 | 112.6 | Q174 Q176 V320 | Q174-S271 PolarHBondContact N-O 3.01Å; Q174-S271 PolarHBondContact O-N 3.25Å; Q176-S271 VanDerWaalsContact CG-OG 3.26Å; Q176-S271 WeakPolarHBondContact CG-OG 3.37Å; Q176-S271 PolarHBondContact NE2-OG 3.22Å; Q176-S271 VanDerWaalsContact NE2-OG 3.09Å; S271-V320 CarbonylContact C-O 3.59Å; S271-V320 VanDerWaalsContact CA-O 3.26Å; S271-V320 WeakPolarHBondContact CA-O 3.5Å; S271-V320 WeakPolarHBondContact CB-O 3.25Å |
| 272 | C | 97.5 | Very high | 97.5 | Very high | 10 Ų | 10 | 44 Ų | 44 | 7% | 0.068 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 179 | 174.2 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | I171 P173 V320 F335 | I171-C272 HydrophobicContact CG2-CB 4.04Å; P173-C272 HydrophobicContact CG-CB 4.41Å; C272-V320 PolarHBondContact N-O 2.88Å; C272-V320 PolarHBondContact O-N 2.91Å; C272-V320 VanDerWaalsContact O-O 3.12Å; C272-F335 HydrophobicContact CB-CE2 4.26Å; C272-F335 HydrophobicContact CB-CZ 4.46Å; C272-F335 WeakPolarHBondContact SG-CD2 3.44Å; C272-F335 WeakPolarHBondContact SG-CE2 3.49Å |
| 273 | D | 97.7 | Very high | 97.6 | Very high | 33 Ų | 33 | 38.2 Ų | 38.2 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 112.5 | 179.2 | 169.7 | 5.2 | 0 | 0 | 0 | 107.2 | K275 G318 K319 | D273-K275 HydrophobicContact CB-CD 4.47Å; D273-K275 VanDerWaalsContact CG-NZ 3.31Å; D273-K275 VanDerWaalsContact O-CE 3.32Å; D273-K275 WeakPolarHBondContact O-CE 3.25Å; D273-K275 PolarHBondContact O-N 3.11Å; D273-K275 PolarHBondContact OD1-N 2.9Å; D273-K275 WeakPolarHBondContact OD2-CE 3.4Å; D273-K275 IonicContact OD2-NZ 3.18Å; D273-K275 PolarHBondContact OD2-NZ 2.83Å; D273-G318 CarbonylContact C-O 3.57Å; D273-G318 WeakPolarHBondContact CA-O 3.22Å; D273-K319 HydrophobicContact CB-CG 4.32Å |
| 274 | V | 96.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | trans | -74 | -1.8 | -175.2 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | F276 I278 G318 F335 Y339 L342 | V274-F276 HydrophobicContact CB-CD1 4.22Å; V274-F276 HydrophobicContact CB-CE1 3.76Å; V274-F276 HydrophobicContact CB-CE2 4.42Å; V274-F276 HydrophobicContact CB-CZ 3.87Å; V274-F276 HydrophobicContact CG2-CD1 3.98Å; V274-F276 HydrophobicContact CG2-CD2 3.84Å; V274-F276 HydrophobicContact CG2-CE1 3.75Å; V274-F276 HydrophobicContact CG2-CE2 3.59Å; V274-F276 HydrophobicContact CG2-CG 4.02Å; V274-F276 HydrophobicContact CG2-CZ 3.54Å; V274-F276 WeakPolarHBondContact O-CD1 3.32Å; V274-F276 WeakPolarHBondContact O-CE1 3.47Å; V274-F276 PolarHBondContact O-N 3.34Å; V274-I278 HydrophobicContact CG2-CD1 4.02Å; V274-G318 PolarHBondContact N-O 2.99Å; V274-F335 HydrophobicContact CG1-CE2 3.93Å; V274-F335 HydrophobicContact CG1-CZ 4.08Å; V274-Y339 HydrophobicContact CB-CE2 4.29Å; V274-Y339 HydrophobicContact CG1-CD2 4.14Å; V274-Y339 HydrophobicContact CG1-CE2 4.27Å; V274-L342 HydrophobicContact CG1-CD1 3.98Å | ||
| 275 | K | 96.3 | Very high | 97.4 | Very high | 156 Ų | 156 | 37.2 Ų | 37.2 | 68% | 0.678 | 19% | 0.186 | S | C | * | . | S | Bend | trans | 63.8 | 14.6 | 176.3 | -46.8 | -59.6 | 168.8 | -176 | 0 | 115.4 | D273 | D273-K275 HydrophobicContact CB-CD 4.47Å; D273-K275 VanDerWaalsContact CG-NZ 3.31Å; D273-K275 VanDerWaalsContact O-CE 3.32Å; D273-K275 WeakPolarHBondContact O-CE 3.25Å; D273-K275 PolarHBondContact O-N 3.11Å; D273-K275 PolarHBondContact OD1-N 2.9Å; D273-K275 WeakPolarHBondContact OD2-CE 3.4Å; D273-K275 IonicContact OD2-NZ 3.18Å; D273-K275 PolarHBondContact OD2-NZ 2.83Å |
| 276 | F | 96.8 | Very high | 97.4 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -139.5 | 146 | 170.6 | 57.1 | -101.4 | 0 | 0 | 0 | 112.3 | V274 I278 G318 Y339 L342 E343 K346 | V274-F276 HydrophobicContact CB-CD1 4.22Å; V274-F276 HydrophobicContact CB-CE1 3.76Å; V274-F276 HydrophobicContact CB-CE2 4.42Å; V274-F276 HydrophobicContact CB-CZ 3.87Å; V274-F276 HydrophobicContact CG2-CD1 3.98Å; V274-F276 HydrophobicContact CG2-CD2 3.84Å; V274-F276 HydrophobicContact CG2-CE1 3.75Å; V274-F276 HydrophobicContact CG2-CE2 3.59Å; V274-F276 HydrophobicContact CG2-CG 4.02Å; V274-F276 HydrophobicContact CG2-CZ 3.54Å; V274-F276 WeakPolarHBondContact O-CD1 3.32Å; V274-F276 WeakPolarHBondContact O-CE1 3.47Å; V274-F276 PolarHBondContact O-N 3.34Å; F276-I278 HydrophobicContact CD2-CG1 4.21Å; F276-I278 HydrophobicContact CE2-CG1 4.19Å; F276-G318 VanDerWaalsContact O-CA 3.23Å; F276-G318 WeakPolarHBondContact O-CA 3.05Å; F276-Y339 HydrophobicContact CE1-CE2 4.14Å; F276-Y339 HydrophobicContact CZ-CE2 4.45Å; F276-L342 HydrophobicContact CE2-CB 4.49Å; F276-L342 WeakPolarHBondContact CE2-O 3.39Å; F276-L342 HydrophobicContact CZ-CB 4.47Å; F276-E343 HydrophobicContact CZ-CB 4.02Å; F276-E343 HydrophobicContact CZ-CG 4.42Å; F276-K346 HydrophobicContact CB-CD 3.93Å; F276-K346 HydrophobicContact CB-CG 4.02Å; F276-K346 HydrophobicContact CD1-CD 4.13Å; F276-K346 HydrophobicContact CD2-CB 3.71Å; F276-K346 HydrophobicContact CD2-CD 3.85Å; F276-K346 HydrophobicContact CD2-CG 3.62Å; F276-K346 HydrophobicContact CE2-CB 3.91Å; F276-K346 HydrophobicContact CE2-CD 4.39Å; F276-K346 HydrophobicContact CE2-CG 4.29Å; F276-K346 HydrophobicContact CG-CB 4.43Å; F276-K346 HydrophobicContact CG-CD 3.71Å; F276-K346 HydrophobicContact CG-CG 3.9Å |
| 277 | P | 97.9 | Very high | 97.3 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 42% | 0.422 | 21% | 0.205 | S | C | . | . | trans | -71.5 | 150.6 | 176.2 | 26.8 | -31.8 | 0 | 0 | 0 | 112.4 | A316 K346 K347 | P277-A316 CarbonylContact C-O 3.59Å; P277-A316 VanDerWaalsContact CA-O 3.24Å; P277-A316 WeakPolarHBondContact CA-O 3.45Å; P277-A316 WeakPolarHBondContact CB-O 3.26Å; P277-K346 WeakPolarHBondContact O-CA 3.45Å; P277-K347 HydrophobicContact CB-CB 4.3Å; P277-K347 HydrophobicContact CB-CD 4.31Å; P277-K347 HydrophobicContact CG-CB 4.09Å; P277-K347 PolarHBondContact O-N 2.88Å | ||
| 278 | I | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -124 | 144 | -168.1 | -50.3 | -179.9 | 0 | 0 | 0 | 111.2 | V274 F276 L280 I314 A316 L342 F345 K347 | V274-I278 HydrophobicContact CG2-CD1 4.02Å; F276-I278 HydrophobicContact CD2-CG1 4.21Å; F276-I278 HydrophobicContact CE2-CG1 4.19Å; I278-L280 HydrophobicContact CB-CD2 4.29Å; I278-L280 HydrophobicContact CG2-CD2 4.1Å; I278-L280 PolarHBondContact O-N 3.01Å; I278-I314 HydrophobicContact CD1-CG2 3.97Å; I278-A316 PolarHBondContact N-O 2.87Å; I278-L342 HydrophobicContact CD1-CB 4.21Å; I278-L342 HydrophobicContact CD1-CD1 4.42Å; I278-L342 HydrophobicContact CD1-CD2 4.15Å; I278-L342 HydrophobicContact CD1-CG 4.47Å; I278-F345 HydrophobicContact CG2-CB 4.02Å; I278-K347 WeakPolarHBondContact O-CE 3.21Å; I278-K347 PolarHBondContact O-NZ 3.21Å |
| 279 | R | 97.6 | Very high | 97.2 | Very high | 96 Ų | 96 | 56.4 Ų | 56.4 | 36% | 0.362 | 27% | 0.272 | S | S | . | . | trans | -83.5 | 77.2 | 170.5 | -67 | 176.9 | -87.8 | -176.6 | -1.8 | 111 | E281 I282 L283 F345 K346 K347 | R279-E281 WeakPolarHBondContact CA-OE2 3.26Å; R279-E281 PolarHBondContact O-N 2.82Å; R279-I282 HydrophobicContact CB-CB 4.29Å; R279-I282 HydrophobicContact CB-CG1 4.09Å; R279-I282 PolarHBondContact O-N 3.08Å; R279-L283 PolarHBondContact O-N 3.48Å; R279-F345 WeakPolarHBondContact CB-O 3.29Å; R279-F345 PolarHBondContact N-O 2.94Å; R279-F345 PolarHBondContact NE-O 2.9Å; R279-K346 VanDerWaalsContact CZ-O 3.28Å; R279-K346 PolarHBondContact NE-O 3.17Å; R279-K346 VanDerWaalsContact NE-O 3.1Å; R279-K346 PolarHBondContact NH2-O 3.32Å; R279-K347 HydrophobicContact CG-CD 4.24Å; R279-K347 HydrophobicContact CG-CG 3.45Å; R279-K347 VanDerWaalsContact CG-CG 3.45Å | ||
| 280 | L | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.1 | -32 | 179.3 | -61.7 | -169.8 | 0 | 0 | 0 | 112.4 | I278 I282 L283 A284 Y293 L301 I314 A316 | I278-L280 HydrophobicContact CB-CD2 4.29Å; I278-L280 HydrophobicContact CG2-CD2 4.1Å; I278-L280 PolarHBondContact O-N 3.01Å; L280-I282 PolarHBondContact O-N 3.09Å; L280-L283 HydrophobicContact CD2-CD2 4.46Å; L280-L283 PolarHBondContact O-N 3.33Å; L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.36Å; L280-A284 PolarHBondContact O-N 3.44Å; L280-Y293 HydrophobicContact CB-CD1 4.13Å; L280-Y293 HydrophobicContact CB-CE1 3.69Å; L280-Y293 HydrophobicContact CB-CE2 4.12Å; L280-Y293 HydrophobicContact CD1-CD2 4.26Å; L280-Y293 HydrophobicContact CD1-CE2 3.63Å; L280-L301 HydrophobicContact CB-CB 4.5Å; L280-L301 HydrophobicContact CB-CD1 4.42Å; L280-L301 HydrophobicContact CD1-CB 4.2Å; L280-L301 HydrophobicContact CD2-CB 4.04Å; L280-L301 HydrophobicContact CG-CB 4.48Å; L280-L301 WeakPolarHBondContact O-CD1 3.44Å; L280-I314 HydrophobicContact CD2-CG2 3.84Å; L280-A316 HydrophobicContact CD1-CB 3.91Å; L280-A316 HydrophobicContact CG-CB 4.03Å |
| 281 | E | 96.4 | Very high | 97.1 | Very high | 82 Ų | 82 | 60.5 Ų | 60.5 | 38% | 0.383 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | -178.6 | -51.6 | 70.7 | -151.8 | 0 | 0 | 110.9 | R279 L285 Y293 K347 | R279-E281 WeakPolarHBondContact CA-OE2 3.26Å; R279-E281 PolarHBondContact O-N 2.82Å; E281-L285 WeakPolarHBondContact O-CG 3.47Å; E281-L285 PolarHBondContact O-N 2.84Å; E281-Y293 HydrophobicContact CG-CE1 4.21Å; E281-Y293 PolarHBondContact OE1-OH 3.22Å; E281-K347 IonicContact OE1-NZ 2.74Å; E281-K347 IonicContact OE2-NZ 3.56Å |
| 282 | I | 96.9 | Very high | 97.1 | Very high | 78 Ų | 78 | 63.1 Ų | 63.1 | 40% | 0.4 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -80.5 | -39.9 | 179.3 | -47.6 | -55.7 | 0 | 0 | 0 | 110.4 | R279 L280 A284 L285 T286 F345 | R279-I282 HydrophobicContact CB-CB 4.29Å; R279-I282 HydrophobicContact CB-CG1 4.09Å; R279-I282 PolarHBondContact O-N 3.08Å; L280-I282 PolarHBondContact O-N 3.09Å; I282-A284 VanDerWaalsContact C-N 3.31Å; I282-A284 PolarHBondContact O-N 3.06Å; I282-L285 PolarHBondContact O-N 2.92Å; I282-L285 VanDerWaalsContact O-N 3.17Å; I282-T286 PolarHBondContact O-N 3.2Å; I282-T286 PolarHBondContact O-OG1 3.46Å; I282-F345 HydrophobicContact CB-CD1 4.18Å; I282-F345 HydrophobicContact CB-CE1 4.34Å; I282-F345 HydrophobicContact CG2-CD1 4.07Å; I282-F345 HydrophobicContact CG2-CE1 3.82Å |
| 283 | L | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.7 | -43.9 | 173.6 | 173.9 | 59.3 | 0 | 0 | 0 | 111.4 | R279 L280 H287 L301 I314 M338 I341 L342 F345 | R279-L283 PolarHBondContact O-N 3.48Å; L280-L283 HydrophobicContact CD2-CD2 4.46Å; L280-L283 PolarHBondContact O-N 3.33Å; L283-H287 HydrophobicContact CD1-CB 4.32Å; L283-H287 WeakPolarHBondContact O-CB 3.38Å; L283-H287 PolarHBondContact O-N 2.81Å; L283-L301 HydrophobicContact CB-CD1 4.16Å; L283-L301 HydrophobicContact CD2-CD1 3.97Å; L283-L301 HydrophobicContact CD2-CD2 4.31Å; L283-L301 HydrophobicContact CG-CD1 3.81Å; L283-I314 HydrophobicContact CD2-CD1 4.38Å; L283-M338 HydrophobicContact CD1-CE 4.15Å; L283-M338 HydrophobicContact CD2-CE 4.46Å; L283-I341 HydrophobicContact CD1-CG2 4.01Å; L283-L342 HydrophobicContact CD2-CD2 4.05Å; L283-F345 HydrophobicContact CB-CB 4.49Å; L283-F345 HydrophobicContact CB-CD1 4.43Å; L283-F345 HydrophobicContact CB-CD2 3.98Å; L283-F345 HydrophobicContact CB-CE2 4.35Å; L283-F345 HydrophobicContact CB-CG 4.04Å; L283-F345 HydrophobicContact CD1-CD2 3.61Å; L283-F345 HydrophobicContact CD1-CE2 3.58Å; L283-F345 HydrophobicContact CD1-CZ 4.44Å; L283-F345 HydrophobicContact CG-CD2 4.29Å |
| 284 | A | 97.1 | Very high | 97 | Very high | 19 Ų | 19 | 69.3 Ų | 69.3 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L280 I282 R288 Y293 L301 | L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.36Å; L280-A284 PolarHBondContact O-N 3.44Å; I282-A284 VanDerWaalsContact C-N 3.31Å; I282-A284 PolarHBondContact O-N 3.06Å; A284-R288 WeakPolarHBondContact O-CA 3.31Å; A284-R288 WeakPolarHBondContact O-CB 3.32Å; A284-R288 PolarHBondContact O-N 2.96Å; A284-Y293 HydrophobicContact CB-CD1 4.17Å; A284-Y293 HydrophobicContact CB-CG 4.47Å; A284-L301 HydrophobicContact CB-CD1 3.78Å |
| 285 | L | 96.6 | Very high | 96.9 | Very high | 115 Ų | 115 | 72.1 Ų | 72.1 | 60% | 0.602 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.1 | -45.9 | 176.7 | -79.2 | 166.9 | 0 | 0 | 0 | 112 | E281 I282 | E281-L285 WeakPolarHBondContact O-CG 3.47Å; E281-L285 PolarHBondContact O-N 2.84Å; I282-L285 PolarHBondContact O-N 2.92Å; I282-L285 VanDerWaalsContact O-N 3.17Å |
| 286 | T | 97.1 | Very high | 96.9 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 57% | 0.571 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -72.7 | -40.7 | -178.8 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | I282 F345 | I282-T286 PolarHBondContact O-N 3.2Å; I282-T286 PolarHBondContact O-OG1 3.46Å; T286-F345 HydrophobicContact CG2-CZ 4.03Å |
| 287 | H | 96.6 | Very high | 96.8 | Very high | 38 Ų | 38 | 80.2 Ų | 80.2 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 33.7 | -179.2 | -67.3 | -113.4 | 0 | 0 | 0 | 112.7 | L283 Q289 F290 S291 Y303 I341 F345 | L283-H287 HydrophobicContact CD1-CB 4.32Å; L283-H287 WeakPolarHBondContact O-CB 3.38Å; L283-H287 PolarHBondContact O-N 2.81Å; H287-Q289 PolarHBondContact O-N 3.12Å; H287-F290 PolarHBondContact O-N 3.44Å; H287-S291 WeakPolarHBondContact CB-OG 3.49Å; H287-S291 VanDerWaalsContact O-CB 3.29Å; H287-S291 WeakPolarHBondContact O-CB 3.13Å; H287-S291 PolarHBondContact O-N 3.01Å; H287-S291 PolarHBondContact O-OG 3.22Å; H287-Y303 HydrophobicContact CB-CE2 3.69Å; H287-Y303 AromaticContact CG-CE2 3.89Å; H287-Y303 AromaticContact ND1-CE2 3.67Å; H287-Y303 AromaticContact ND1-CZ 3.82Å; H287-Y303 PolarHBondContact ND1-OH 3.21Å; H287-I341 WeakPolarHBondContact NE2-CG2 3.5Å; H287-F345 AromaticContact CD2-CE2 3.9Å; H287-F345 AromaticContact NE2-CE2 3.76Å |
| 288 | R | 96.2 | Very high | 96.7 | Very high | 193 Ų | 193 | 80.3 Ų | 80.3 | 73% | 0.728 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -26.4 | -172.8 | -170.6 | 177.4 | 179.8 | 118.1 | 5.8 | 115.2 | A284 F290 | A284-R288 WeakPolarHBondContact O-CA 3.31Å; A284-R288 WeakPolarHBondContact O-CB 3.32Å; A284-R288 PolarHBondContact O-N 2.96Å; R288-F290 VanDerWaalsContact C-N 3.33Å |
| 289 | Q | 96.6 | Very high | 96.6 | Very high | 180 Ų | 180 | 84.7 Ų | 84.7 | 84% | 0.841 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -25.7 | 177 | -69.5 | 179 | -24.6 | 0 | 0 | 113.4 | H287 | H287-Q289 PolarHBondContact O-N 3.12Š|
| 290 | F | 96.6 | Very high | 96.6 | Very high | 78 Ų | 78 | 80.1 Ų | 80.1 | 34% | 0.342 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -18 | -176.7 | -53.2 | -66.5 | 0 | 0 | 0 | 112.8 | H287 R288 Y303 K304 V306 | H287-F290 PolarHBondContact O-N 3.44Å; R288-F290 VanDerWaalsContact C-N 3.33Å; F290-Y303 HydrophobicContact CB-CD1 4.42Å; F290-Y303 HydrophobicContact CB-CD2 4.46Å; F290-Y303 HydrophobicContact CB-CE1 3.99Å; F290-Y303 HydrophobicContact CB-CE2 4.06Å; F290-Y303 WeakPolarHBondContact O-CA 3.46Å; F290-K304 PolarHBondContact O-N 2.95Å; F290-V306 HydrophobicContact CD1-CG2 4.18Å; F290-V306 HydrophobicContact CE1-CG2 3.83Å |
| 291 | S | 97.5 | Very high | 96.7 | Very high | 11 Ų | 11 | 80.1 Ų | 80.1 | 8% | 0.077 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 146.9 | -172.1 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | H287 I302 Y303 | H287-S291 WeakPolarHBondContact CB-OG 3.49Å; H287-S291 VanDerWaalsContact O-CB 3.29Å; H287-S291 WeakPolarHBondContact O-CB 3.13Å; H287-S291 PolarHBondContact O-N 3.01Å; H287-S291 PolarHBondContact O-OG 3.22Å; S291-I302 CarbonylContact C-O 3.55Å; S291-I302 WeakPolarHBondContact CA-O 3.39Å; S291-Y303 WeakPolarHBondContact OG-CD2 3.23Å |
| 292 | S | 97.7 | Very high | 96.8 | Very high | 63 Ų | 63 | 78.3 Ų | 78.3 | 44% | 0.441 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 123.7 | 165.3 | -55.6 | 0 | 0 | 0 | 0 | 108.3 | I302 | S292-I302 PolarHBondContact N-O 3.17Å; S292-I302 PolarHBondContact O-N 3.13Å |
| 293 | Y | 98 | Very high | 96.8 | Very high | 44 Ų | 44 | 75.4 Ų | 75.4 | 17% | 0.173 | 38% | 0.379 | C | S | . | . | trans | -144.8 | 105.4 | -175.1 | 178.5 | -128.9 | 0 | 0 | 0 | 109.1 | L280 E281 A284 P295 L301 | L280-Y293 HydrophobicContact CB-CD1 4.13Å; L280-Y293 HydrophobicContact CB-CE1 3.69Å; L280-Y293 HydrophobicContact CB-CE2 4.12Å; L280-Y293 HydrophobicContact CD1-CD2 4.26Å; L280-Y293 HydrophobicContact CD1-CE2 3.63Å; E281-Y293 HydrophobicContact CG-CE1 4.21Å; E281-Y293 PolarHBondContact OE1-OH 3.22Å; A284-Y293 HydrophobicContact CB-CD1 4.17Å; A284-Y293 HydrophobicContact CB-CG 4.47Å; Y293-P295 HydrophobicContact CE2-CB 4.11Å; Y293-L301 HydrophobicContact CD2-CB 4.11Å; Y293-L301 HydrophobicContact CG-CB 4.29Å; Y293-L301 HydrophobicContact CG-CD1 4.46Å | ||
| 294 | E | 95.9 | Very high | 96.9 | Very high | 129 Ų | 129 | 81.2 Ų | 81.2 | 60% | 0.603 | 41% | 0.405 | S | S | * | . | trans | -129.1 | 87.3 | 179.8 | -64.6 | -64.4 | 166.5 | 0 | 0 | 106.2 | E296 L297 F298 | E294-E296 PolarHBondContact O-N 3.46Å; E294-E296 VanDerWaalsContact O-N 3.14Å; E294-L297 HydrophobicContact CB-CB 4.16Å; E294-L297 HydrophobicContact CB-CD1 3.96Å; E294-L297 HydrophobicContact CB-CG 4.16Å; E294-L297 HydrophobicContact CG-CD1 4.4Å; E294-L297 PolarHBondContact O-N 3.07Å; E294-F298 PolarHBondContact O-N 3.22Å | ||
| 295 | P | 93.9 | Very high | 96.9 | Very high | 63 Ų | 63 | 81.3 Ų | 81.3 | 41% | 0.409 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.6 | -165.2 | 21.6 | -32.8 | 0 | 0 | 0 | 114 | Y293 L297 | Y293-P295 HydrophobicContact CE2-CB 4.11Å; P295-L297 VanDerWaalsContact C-N 3.27Å; P295-L297 PolarHBondContact O-N 2.89Å |
| 296 | E | 95.9 | Very high | 96.8 | Very high | 184 Ų | 184 | 81.1 Ų | 81.1 | 86% | 0.86 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -21.9 | 173.8 | -54.8 | -56.3 | 136.8 | 0 | 0 | 113.3 | E294 | E294-E296 PolarHBondContact O-N 3.46Å; E294-E296 VanDerWaalsContact O-N 3.14Å |
| 297 | L | 95.6 | Very high | 96.6 | Very high | 154 Ų | 154 | 84 Ų | 84 | 81% | 0.806 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -39.1 | 177.6 | -59.6 | -179.7 | 0 | 0 | 0 | 112 | E294 P295 | E294-L297 HydrophobicContact CB-CB 4.16Å; E294-L297 HydrophobicContact CB-CD1 3.96Å; E294-L297 HydrophobicContact CB-CG 4.16Å; E294-L297 HydrophobicContact CG-CD1 4.4Å; E294-L297 PolarHBondContact O-N 3.07Å; P295-L297 VanDerWaalsContact C-N 3.27Å; P295-L297 PolarHBondContact O-N 2.89Å |
| 298 | F | 96.3 | Very high | 96.6 | Very high | 67 Ų | 67 | 82.7 Ų | 82.7 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | trans | -153.8 | 127.2 | 179.2 | -179.1 | -113.1 | 0 | 0 | 0 | 111.3 | E294 G300 I302 L313 F315 | E294-F298 PolarHBondContact O-N 3.22Å; F298-G300 WeakPolarHBondContact CD1-O 3.24Å; F298-G300 PolarHBondContact O-N 3.36Å; F298-G300 VanDerWaalsContact O-N 3.08Å; F298-I302 HydrophobicContact CD1-CD1 4.34Å; F298-I302 HydrophobicContact CD1-CG1 4.06Å; F298-I302 HydrophobicContact CE1-CG1 4.23Å; F298-L313 HydrophobicContact CE1-CD2 4.01Å; F298-L313 HydrophobicContact CZ-CD1 4.5Å; F298-L313 HydrophobicContact CZ-CD2 4.29Å; F298-F315 HydrophobicContact CZ-CE1 4.02Å; F298-F315 AromaticContact CZ-CZ 3.91Å; F298-F315 HydrophobicContact CZ-CZ 3.91Å | ||
| 299 | P | 96.1 | Very high | 96.7 | Very high | 91 Ų | 91 | 80.8 Ų | 80.8 | 59% | 0.591 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -76.2 | 5.5 | -172.2 | 31.2 | -38 | 0 | 0 | 0 | 115.3 | ||
| 300 | G | 97.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 156.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F298 I314 | F298-G300 WeakPolarHBondContact CD1-O 3.24Å; F298-G300 PolarHBondContact O-N 3.36Å; F298-G300 VanDerWaalsContact O-N 3.08Å; G300-I314 CarbonylContact C-O 3.58Å; G300-I314 WeakPolarHBondContact CA-O 3.3Å |
| 301 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127.6 | 168.6 | -177.4 | 151.8 | 0 | 0 | 0 | 109 | L280 L283 A284 Y293 Y303 I314 | L280-L301 HydrophobicContact CB-CB 4.5Å; L280-L301 HydrophobicContact CB-CD1 4.42Å; L280-L301 HydrophobicContact CD1-CB 4.2Å; L280-L301 HydrophobicContact CD2-CB 4.04Å; L280-L301 HydrophobicContact CG-CB 4.48Å; L280-L301 WeakPolarHBondContact O-CD1 3.44Å; L283-L301 HydrophobicContact CB-CD1 4.16Å; L283-L301 HydrophobicContact CD2-CD1 3.97Å; L283-L301 HydrophobicContact CD2-CD2 4.31Å; L283-L301 HydrophobicContact CG-CD1 3.81Å; A284-L301 HydrophobicContact CB-CD1 3.78Å; Y293-L301 HydrophobicContact CD2-CB 4.11Å; Y293-L301 HydrophobicContact CG-CB 4.29Å; Y293-L301 HydrophobicContact CG-CD1 4.46Å; L301-Y303 HydrophobicContact CD2-CD2 4.15Å; L301-I314 HydrophobicContact CB-CB 4.48Å; L301-I314 HydrophobicContact CD2-CD1 4.04Å; L301-I314 PolarHBondContact N-O 2.8Å; L301-I314 PolarHBondContact O-N 3.27Å |
| 302 | I | 98.4 | Very high | 96.8 | Very high | 44 Ų | 44 | 70.3 Ų | 70.3 | 23% | 0.226 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 116.4 | 173.5 | -53 | 178.1 | 0 | 0 | 0 | 107.7 | S291 S292 F298 V311 L313 | S291-I302 CarbonylContact C-O 3.55Å; S291-I302 WeakPolarHBondContact CA-O 3.39Å; S292-I302 PolarHBondContact N-O 3.17Å; S292-I302 PolarHBondContact O-N 3.13Å; F298-I302 HydrophobicContact CD1-CD1 4.34Å; F298-I302 HydrophobicContact CD1-CG1 4.06Å; F298-I302 HydrophobicContact CE1-CG1 4.23Å; I302-V311 HydrophobicContact CG2-CG1 3.69Å; I302-L313 HydrophobicContact CB-CD2 4.48Å; I302-L313 HydrophobicContact CG1-CD2 3.94Å; I302-L313 HydrophobicContact CG2-CD2 4.36Å |
| 303 | Y | 98.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 122.3 | 178.1 | -165.2 | -79.1 | 0 | 0 | 0 | 110.2 | H287 F290 S291 L301 M305 V311 L312 I314 M338 | H287-Y303 HydrophobicContact CB-CE2 3.69Å; H287-Y303 AromaticContact CG-CE2 3.89Å; H287-Y303 AromaticContact ND1-CE2 3.67Å; H287-Y303 AromaticContact ND1-CZ 3.82Å; H287-Y303 PolarHBondContact ND1-OH 3.21Å; F290-Y303 HydrophobicContact CB-CD1 4.42Å; F290-Y303 HydrophobicContact CB-CD2 4.46Å; F290-Y303 HydrophobicContact CB-CE1 3.99Å; F290-Y303 HydrophobicContact CB-CE2 4.06Å; F290-Y303 WeakPolarHBondContact O-CA 3.46Å; S291-Y303 WeakPolarHBondContact OG-CD2 3.23Å; L301-Y303 HydrophobicContact CD2-CD2 4.15Å; Y303-M305 HydrophobicContact CD1-CB 4.45Å; Y303-M305 HydrophobicContact CE1-CB 4.47Å; Y303-V311 WeakPolarHBondContact O-CA 3.48Å; Y303-L312 HydrophobicContact CD1-CD1 4.19Å; Y303-L312 PolarHBondContact N-O 2.94Å; Y303-L312 PolarHBondContact O-N 2.68Å; Y303-I314 HydrophobicContact CG-CD1 4.42Å; Y303-M338 HydrophobicContact CD1-SD 4.09Å; Y303-M338 HydrophobicContact CD2-CE 3.83Å; Y303-M338 HydrophobicContact CD2-SD 4.33Å; Y303-M338 HydrophobicContact CE1-SD 3.94Å; Y303-M338 HydrophobicContact CE2-CE 3.75Å; Y303-M338 HydrophobicContact CE2-SD 4.16Å; Y303-M338 HydrophobicContact CG-CE 4.29Å; Y303-M338 HydrophobicContact CG-SD 4.29Å |
| 304 | K | 98 | Very high | 96.9 | Very high | 123 Ų | 123 | 65.8 Ų | 65.8 | 54% | 0.535 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 100.7 | 178.8 | -63.1 | -179.1 | -178.4 | 178.2 | 0 | 109.3 | F290 V311 | F290-K304 PolarHBondContact O-N 2.95Å; K304-V311 HydrophobicContact CG-CG2 4.5Å |
| 305 | M | 97.3 | Very high | 97 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 134.2 | 176.1 | -170.8 | 169.8 | -75.9 | 0 | 0 | 110.1 | Y303 K307 P308 V310 L312 A334 N337 M338 | Y303-M305 HydrophobicContact CD1-CB 4.45Å; Y303-M305 HydrophobicContact CE1-CB 4.47Å; M305-K307 WeakPolarHBondContact CG-O 3.47Å; M305-P308 CarbonylContact C-O 3.5Å; M305-P308 WeakPolarHBondContact CG-O 3.36Å; M305-V310 HydrophobicContact CB-CG2 3.99Å; M305-V310 PolarHBondContact N-O 2.97Å; M305-V310 PolarHBondContact O-N 2.64Å; M305-V310 HydrophobicContact SD-CG2 4.39Å; M305-L312 HydrophobicContact CB-CD1 3.91Å; M305-L312 HydrophobicContact CE-CD1 4.22Å; M305-A334 WeakPolarHBondContact CE-O 3.16Å; M305-A334 HydrophobicContact SD-CB 3.75Å; M305-N337 HydrophobicContact CE-CB 4.07Å; M305-N337 HydrophobicContact SD-CB 4.36Å; M305-M338 HydrophobicContact CE-CB 4.07Å; M305-M338 HydrophobicContact CE-SD 4.2Å |
| 306 | V | 95.4 | Very high | 97.2 | Very high | 111 Ų | 111 | 60.2 Ų | 60.2 | 67% | 0.673 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -35.6 | -178.3 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | F290 P308 | F290-V306 HydrophobicContact CD1-CG2 4.18Å; F290-V306 HydrophobicContact CE1-CG2 3.83Å; V306-P308 CarbonylContact C-O 3.6Å |
| 307 | K | 93.8 | Very high | 97.3 | Very high | 155 Ų | 155 | 54.9 Ų | 54.9 | 67% | 0.674 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.4 | 119.8 | 175.6 | -172.4 | -174.9 | 172.8 | -170.7 | 0 | 110.8 | M305 | M305-K307 WeakPolarHBondContact CG-O 3.47Š|
| 308 | P | 96.3 | Very high | 97.3 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 7% | 0.065 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -61.4 | 163.2 | -16.8 | 29.5 | -34.8 | 0 | 0 | 0 | 110.7 | M305 V306 V310 E330 E333 A334 | M305-P308 CarbonylContact C-O 3.5Å; M305-P308 WeakPolarHBondContact CG-O 3.36Å; V306-P308 CarbonylContact C-O 3.6Å; P308-V310 HydrophobicContact CG-CG1 4.42Å; P308-V310 PolarHBondContact O-N 2.91Å; P308-E330 HydrophobicContact CB-CB 3.89Å; P308-E330 HydrophobicContact CB-CG 4Å; P308-E330 HydrophobicContact CG-CB 4.07Å; P308-E330 VanDerWaalsContact CG-O 3.24Å; P308-E330 WeakPolarHBondContact CG-O 3.47Å; P308-E333 HydrophobicContact CG-CB 4.26Å; P308-E333 HydrophobicContact CG-CG 4.43Å; P308-A334 HydrophobicContact CG-CB 3.92Å |
| 309 | Q | 96.7 | Very high | 97.4 | Very high | 152 Ų | 152 | 47.2 Ų | 47.2 | 71% | 0.71 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | 81.9 | -174.1 | -169.9 | -171.9 | 4.4 | 0 | 0 | 111 | ||
| 310 | V | 97.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 159.3 | -176.9 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | M305 P308 L312 A325 E330 A334 | M305-V310 HydrophobicContact CB-CG2 3.99Å; M305-V310 PolarHBondContact N-O 2.97Å; M305-V310 PolarHBondContact O-N 2.64Å; M305-V310 HydrophobicContact SD-CG2 4.39Å; P308-V310 HydrophobicContact CG-CG1 4.42Å; P308-V310 PolarHBondContact O-N 2.91Å; V310-L312 HydrophobicContact CG2-CD1 3.96Å; V310-A325 HydrophobicContact CG1-CB 4Å; V310-E330 HydrophobicContact CG1-CB 4.46Å; V310-A334 HydrophobicContact CG2-CB 3.46Å; V310-A334 VanDerWaalsContact CG2-CB 3.46Å |
| 311 | V | 98.4 | Very high | 97.6 | Very high | 45 Ų | 45 | 43.4 Ų | 43.4 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.1 | 172.8 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | I302 Y303 K304 T323 | I302-V311 HydrophobicContact CG2-CG1 3.69Å; Y303-V311 WeakPolarHBondContact O-CA 3.48Å; K304-V311 HydrophobicContact CG-CG2 4.5Å; V311-T323 HydrophobicContact CB-CG2 4.24Å; V311-T323 PolarHBondContact N-O 2.86Å; V311-T323 PolarHBondContact O-N 2.91Å |
| 312 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.4 | 174.4 | -54.8 | 87.9 | 0 | 0 | 0 | 109.8 | Y303 M305 V310 I314 V320 V321 L322 M338 | Y303-L312 HydrophobicContact CD1-CD1 4.19Å; Y303-L312 PolarHBondContact N-O 2.94Å; Y303-L312 PolarHBondContact O-N 2.68Å; M305-L312 HydrophobicContact CB-CD1 3.91Å; M305-L312 HydrophobicContact CE-CD1 4.22Å; V310-L312 HydrophobicContact CG2-CD1 3.96Å; L312-I314 HydrophobicContact CB-CD1 4.3Å; L312-I314 HydrophobicContact CB-CG1 4.16Å; L312-V320 HydrophobicContact CB-CG1 4.34Å; L312-V320 HydrophobicContact CD2-CG1 4.22Å; L312-V321 CarbonylContact C-O 3.39Å; L312-V321 VanDerWaalsContact CA-O 3.3Å; L312-V321 WeakPolarHBondContact CA-O 3.41Å; L312-L322 HydrophobicContact CD2-CD2 3.66Å; L312-L322 HydrophobicContact CD2-CG 3.96Å; L312-L322 HydrophobicContact CG-CD2 4.01Å; L312-L322 HydrophobicContact CG-CG 4.03Å; L312-M338 HydrophobicContact CD2-CB 4Å; L312-M338 HydrophobicContact CD2-CG 3.95Å |
| 313 | L | 98.4 | Very high | 97.5 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 105.3 | 172.1 | -54.8 | 172.9 | 0 | 0 | 0 | 107.2 | L71 F298 I302 F315 V320 V321 | L71-L313 HydrophobicContact CD2-CD1 4.16Å; F298-L313 HydrophobicContact CE1-CD2 4.01Å; F298-L313 HydrophobicContact CZ-CD1 4.5Å; F298-L313 HydrophobicContact CZ-CD2 4.29Å; I302-L313 HydrophobicContact CB-CD2 4.48Å; I302-L313 HydrophobicContact CG1-CD2 3.94Å; I302-L313 HydrophobicContact CG2-CD2 4.36Å; L313-F315 HydrophobicContact CB-CE2 4.19Å; L313-V320 WeakPolarHBondContact O-CA 3.32Å; L313-V321 HydrophobicContact CB-CB 4.28Å; L313-V321 HydrophobicContact CD1-CB 4.5Å; L313-V321 PolarHBondContact N-O 3.04Å; L313-V321 PolarHBondContact O-N 3.11Å |
| 314 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.7 | -170.2 | -59.5 | 157 | 0 | 0 | 0 | 108.7 | I278 L280 L283 G300 L301 Y303 L312 V320 M338 L342 | I278-I314 HydrophobicContact CD1-CG2 3.97Å; L280-I314 HydrophobicContact CD2-CG2 3.84Å; L283-I314 HydrophobicContact CD2-CD1 4.38Å; G300-I314 CarbonylContact C-O 3.58Å; G300-I314 WeakPolarHBondContact CA-O 3.3Å; L301-I314 HydrophobicContact CB-CB 4.48Å; L301-I314 HydrophobicContact CD2-CD1 4.04Å; L301-I314 PolarHBondContact N-O 2.8Å; L301-I314 PolarHBondContact O-N 3.27Å; Y303-I314 HydrophobicContact CG-CD1 4.42Å; L312-I314 HydrophobicContact CB-CD1 4.3Å; L312-I314 HydrophobicContact CB-CG1 4.16Å; I314-V320 HydrophobicContact CG1-CG1 4.06Å; I314-V320 HydrophobicContact CG1-CG2 4.29Å; I314-V320 HydrophobicContact CG2-CG2 4.31Å; I314-M338 HydrophobicContact CD1-CE 3.93Å; I314-L342 HydrophobicContact CD1-CD2 4Å; I314-L342 HydrophobicContact CG1-CD2 4.44Å; I314-L342 HydrophobicContact CG2-CD2 3.89Å |
| 315 | F | 98.4 | Very high | 97.4 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 17% | 0.171 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 147.6 | -178.6 | -62.2 | -87 | 0 | 0 | 0 | 111.2 | F298 L313 S317 G318 K319 V321 | F298-F315 HydrophobicContact CZ-CE1 4.02Å; F298-F315 AromaticContact CZ-CZ 3.91Å; F298-F315 HydrophobicContact CZ-CZ 3.91Å; L313-F315 HydrophobicContact CB-CE2 4.19Å; F315-S317 PolarHBondContact O-N 2.84Å; F315-G318 PolarHBondContact O-N 3.06Å; F315-K319 HydrophobicContact CB-CB 4.37Å; F315-K319 HydrophobicContact CD2-CB 4.28Å; F315-K319 WeakPolarHBondContact CD2-O 3.19Å; F315-K319 PolarHBondContact N-O 3.48Å; F315-V321 HydrophobicContact CE2-CG2 4.42Å |
| 316 | A | 97.6 | Very high | 97.3 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P277 I278 L280 | P277-A316 CarbonylContact C-O 3.59Å; P277-A316 VanDerWaalsContact CA-O 3.24Å; P277-A316 WeakPolarHBondContact CA-O 3.45Å; P277-A316 WeakPolarHBondContact CB-O 3.26Å; I278-A316 PolarHBondContact N-O 2.87Å; L280-A316 HydrophobicContact CD1-CB 3.91Å; L280-A316 HydrophobicContact CG-CB 4.03Å |
| 317 | S | 97.6 | Very high | 97.4 | Very high | 72 Ų | 72 | 41.1 Ų | 41.1 | 50% | 0.503 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.3 | 174.8 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | F315 | F315-S317 PolarHBondContact O-N 2.84Š|
| 318 | G | 97.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 95.8 | -7.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D273 V274 F276 F315 | D273-G318 CarbonylContact C-O 3.57Å; D273-G318 WeakPolarHBondContact CA-O 3.22Å; V274-G318 PolarHBondContact N-O 2.99Å; F276-G318 VanDerWaalsContact O-CA 3.23Å; F276-G318 WeakPolarHBondContact O-CA 3.05Å; F315-G318 PolarHBondContact O-N 3.06Å |
| 319 | K | 98.1 | Very high | 97.6 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 26% | 0.261 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 138.1 | 170 | -67.9 | -173 | 172.3 | -156.4 | 0 | 110.4 | F66 D273 F315 | F66-K319 HydrophobicContact CE1-CD 3.62Å; F66-K319 HydrophobicContact CE1-CG 4.15Å; F66-K319 HydrophobicContact CZ-CD 3.67Å; F66-K319 HydrophobicContact CZ-CG 4.1Å; F66-K319 VanDerWaalsContact CZ-NZ 3.25Å; D273-K319 HydrophobicContact CB-CG 4.32Å; F315-K319 HydrophobicContact CB-CB 4.37Å; F315-K319 HydrophobicContact CD2-CB 4.28Å; F315-K319 WeakPolarHBondContact CD2-O 3.19Å; F315-K319 PolarHBondContact N-O 3.48Å |
| 320 | V | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 136.8 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | S271 C272 L312 L313 I314 L322 L342 | S271-V320 CarbonylContact C-O 3.59Å; S271-V320 VanDerWaalsContact CA-O 3.26Å; S271-V320 WeakPolarHBondContact CA-O 3.5Å; S271-V320 WeakPolarHBondContact CB-O 3.25Å; C272-V320 PolarHBondContact N-O 2.88Å; C272-V320 PolarHBondContact O-N 2.91Å; C272-V320 VanDerWaalsContact O-O 3.12Å; L312-V320 HydrophobicContact CB-CG1 4.34Å; L312-V320 HydrophobicContact CD2-CG1 4.22Å; L313-V320 WeakPolarHBondContact O-CA 3.32Å; I314-V320 HydrophobicContact CG1-CG1 4.06Å; I314-V320 HydrophobicContact CG1-CG2 4.29Å; I314-V320 HydrophobicContact CG2-CG2 4.31Å; V320-L322 HydrophobicContact CG1-CD1 4.12Å; V320-L322 HydrophobicContact CG1-CG 4.42Å; V320-L342 HydrophobicContact CG2-CD1 3.93Å |
| 321 | V | 98.5 | Very high | 97.6 | Very high | 11 Ų | 11 | 35 Ų | 35 | 7% | 0.067 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.4 | 169.9 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | V269 G270 L312 L313 F315 | V269-V321 HydrophobicContact CG1-CG1 3.72Å; G270-V321 CarbonylContact O-C 3.55Å; G270-V321 WeakPolarHBondContact O-CA 3.48Å; L312-V321 CarbonylContact C-O 3.39Å; L312-V321 VanDerWaalsContact CA-O 3.3Å; L312-V321 WeakPolarHBondContact CA-O 3.41Å; L313-V321 HydrophobicContact CB-CB 4.28Å; L313-V321 HydrophobicContact CD1-CB 4.5Å; L313-V321 PolarHBondContact N-O 3.04Å; L313-V321 PolarHBondContact O-N 3.11Å; F315-V321 HydrophobicContact CE2-CG2 4.42Å |
| 322 | L | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135 | 179.2 | -57.6 | 92.2 | 0 | 0 | 0 | 109 | V269 G270 L312 V320 I331 A334 F335 | V269-L322 CarbonylContact C-O 3.54Å; V269-L322 VanDerWaalsContact CA-O 3.31Å; V269-L322 WeakPolarHBondContact CA-O 3.5Å; G270-L322 PolarHBondContact N-O 3.36Å; G270-L322 PolarHBondContact O-N 2.85Å; L312-L322 HydrophobicContact CD2-CD2 3.66Å; L312-L322 HydrophobicContact CD2-CG 3.96Å; L312-L322 HydrophobicContact CG-CD2 4.01Å; L312-L322 HydrophobicContact CG-CG 4.03Å; V320-L322 HydrophobicContact CG1-CD1 4.12Å; V320-L322 HydrophobicContact CG1-CG 4.42Å; L322-I331 HydrophobicContact CB-CG2 4.35Å; L322-I331 HydrophobicContact CD2-CG2 4.41Å; L322-A334 HydrophobicContact CD2-CB 3.83Å; L322-F335 HydrophobicContact CD2-CB 4.29Å |
| 323 | T | 97.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 40 Ų | 40 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 160 | -178.4 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | L74 N267 V311 | L74-T323 HydrophobicContact CD1-CG2 4.27Å; L74-T323 HydrophobicContact CD2-CG2 4.09Å; N267-T323 PolarHBondContact ND2-OG1 2.91Å; N267-T323 PolarHBondContact OD1-OG1 2.94Å; V311-T323 HydrophobicContact CB-CG2 4.24Å; V311-T323 PolarHBondContact N-O 2.86Å; V311-T323 PolarHBondContact O-N 2.91Å |
| 324 | G | 95.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 32% | 0.32 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 101.6 | -15.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N267 | N267-G324 VanDerWaalsContact OD1-CA 3.31Å; N267-G324 WeakPolarHBondContact OD1-CA 3.48Å; N267-G324 PolarHBondContact OD1-N 3.31Å |
| 325 | A | 97.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 145.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N267 M268 V310 E330 I331 | N267-A325 CarbonylContact C-O 3.57Å; N267-A325 VanDerWaalsContact CA-O 3.3Å; N267-A325 WeakPolarHBondContact CA-O 3.38Å; M268-A325 HydrophobicContact CB-CB 4.42Å; M268-A325 PolarHBondContact N-O 3.19Å; V310-A325 HydrophobicContact CG1-CB 4Å; A325-E330 WeakPolarHBondContact CA-OE2 3.24Å; A325-E330 HydrophobicContact CB-CB 3.93Å; A325-I331 HydrophobicContact CB-CD1 4.09Å; A325-I331 HydrophobicContact CB-CG1 3.55Å |
| 326 | K | 96.6 | Very high | 97.3 | Very high | 102 Ų | 102 | 43.1 Ų | 43.1 | 44% | 0.443 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -108.4 | -18.9 | 171.3 | -69.7 | 148.9 | -169.5 | 150.3 | 0 | 111.7 | E330 | K326-E330 PolarHBondContact N-OE2 3.33Š|
| 327 | E | 97 | Very high | 97.2 | Very high | 124 Ų | 124 | 45.2 Ų | 45.2 | 58% | 0.579 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -124.4 | 150.5 | 175.1 | -59.9 | -171.6 | 177.6 | 0 | 0 | 112 | S329 E330 | E327-S329 VanDerWaalsContact CB-OG 3.22Å; E327-S329 WeakPolarHBondContact CB-OG 3.43Å; E327-S329 PolarHBondContact O-N 3.27Å; E327-S329 PolarHBondContact OE2-OG 2.87Å; E327-E330 HydrophobicContact CB-CG 4.4Å; E327-E330 PolarHBondContact N-OE2 3.1Å; E327-E330 PolarHBondContact O-N 2.83Å |
| 328 | R | 96.3 | Very high | 97.1 | Very high | 83 Ų | 83 | 41.8 Ų | 41.8 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63 | -32.7 | -179.5 | -156.5 | -174.9 | -65.1 | 179 | -3.9 | 112.5 | L175 E237 E238 M268 E330 I331 Y332 | L175-R328 HydrophobicContact CD1-CG 4.16Å; L175-R328 HydrophobicContact CD2-CG 4.39Å; L175-R328 HydrophobicContact CG-CG 4.5Å; E237-R328 IonicContact OE1-CZ 3.68Å; E237-R328 VanDerWaalsContact OE1-CZ 3.3Å; E237-R328 IonicContact OE1-NE 3.42Å; E237-R328 PolarHBondContact OE1-NE 3.21Å; E237-R328 IonicContact OE1-NH2 3.94Å; E237-R328 PolarHBondContact OE1-NH2 2.95Å; E237-R328 IonicContact OE2-CZ 2.64Å; E237-R328 IonicContact OE2-NE 3.61Å; E237-R328 PolarHBondContact OE2-NE 2.95Å; E237-R328 IonicContact OE2-NH2 2.66Å; E237-R328 PolarHBondContact OE2-NH2 3.46Å; E238-R328 IonicContact OE1-NH2 2.79Å; E238-R328 PolarHBondContact OE1-NH2 2.83Å; E238-R328 IonicContact OE2-NH2 3.19Å; M268-R328 HydrophobicContact CE-CB 3.97Å; M268-R328 HydrophobicContact CE-CG 4.17Å; R328-E330 PolarHBondContact O-N 3.08Å; R328-I331 PolarHBondContact O-N 3.43Å; R328-Y332 HydrophobicContact CG-CE2 3.69Å; R328-Y332 VanDerWaalsContact O-CD2 3.27Å; R328-Y332 WeakPolarHBondContact O-CD2 3.46Å; R328-Y332 PolarHBondContact O-N 3.21Å |
| 329 | S | 97 | Very high | 97.1 | Very high | 60 Ų | 60 | 43 Ų | 43 | 42% | 0.42 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -53 | -47.1 | 173.4 | 38.5 | 0 | 0 | 0 | 0 | 112.7 | E327 I331 Y332 E333 | E327-S329 VanDerWaalsContact CB-OG 3.22Å; E327-S329 WeakPolarHBondContact CB-OG 3.43Å; E327-S329 PolarHBondContact O-N 3.27Å; E327-S329 PolarHBondContact OE2-OG 2.87Å; S329-I331 VanDerWaalsContact C-N 3.25Å; S329-I331 PolarHBondContact O-N 3.16Å; S329-Y332 PolarHBondContact O-N 3.43Å; S329-Y332 VanDerWaalsContact O-N 3.08Å; S329-E333 PolarHBondContact O-N 3.36Å |
| 330 | E | 97.6 | Very high | 97 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.6 | -31.7 | -177.6 | -62 | 174.8 | 122.7 | 0 | 0 | 112.3 | P308 V310 A325 K326 E327 R328 A334 | P308-E330 HydrophobicContact CB-CB 3.89Å; P308-E330 HydrophobicContact CB-CG 4Å; P308-E330 HydrophobicContact CG-CB 4.07Å; P308-E330 VanDerWaalsContact CG-O 3.24Å; P308-E330 WeakPolarHBondContact CG-O 3.47Å; V310-E330 HydrophobicContact CG1-CB 4.46Å; A325-E330 WeakPolarHBondContact CA-OE2 3.24Å; A325-E330 HydrophobicContact CB-CB 3.93Å; K326-E330 PolarHBondContact N-OE2 3.33Å; E327-E330 HydrophobicContact CB-CG 4.4Å; E327-E330 PolarHBondContact N-OE2 3.1Å; E327-E330 PolarHBondContact O-N 2.83Å; R328-E330 PolarHBondContact O-N 3.08Å; E330-A334 WeakPolarHBondContact O-CB 3.14Å; E330-A334 PolarHBondContact O-N 2.71Å |
| 331 | I | 97.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.6 | -36.8 | 176.7 | -62.1 | 175.8 | 0 | 0 | 0 | 110.9 | P173 L175 M268 L322 A325 R328 S329 F335 | P173-I331 HydrophobicContact CB-CG2 3.8Å; P173-I331 HydrophobicContact CG-CG2 4.44Å; L175-I331 HydrophobicContact CD2-CD1 3.62Å; M268-I331 HydrophobicContact CB-CD1 3.77Å; L322-I331 HydrophobicContact CB-CG2 4.35Å; L322-I331 HydrophobicContact CD2-CG2 4.41Å; A325-I331 HydrophobicContact CB-CD1 4.09Å; A325-I331 HydrophobicContact CB-CG1 3.55Å; R328-I331 PolarHBondContact O-N 3.43Å; S329-I331 VanDerWaalsContact C-N 3.25Å; S329-I331 PolarHBondContact O-N 3.16Å; I331-F335 WeakPolarHBondContact O-CB 3.34Å; I331-F335 PolarHBondContact O-N 2.82Å |
| 332 | Y | 96.9 | Very high | 96.9 | Very high | 79 Ų | 79 | 44.6 Ų | 44.6 | 31% | 0.31 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.5 | -49.7 | 177.2 | -59.7 | -47.3 | 0 | 0 | 0 | 111.5 | V172 P173 R328 S329 A334 F335 E336 | V172-Y332 HydrophobicContact CG1-CE1 3.83Å; P173-Y332 HydrophobicContact CB-CD1 4.29Å; P173-Y332 HydrophobicContact CB-CE1 4.2Å; P173-Y332 HydrophobicContact CG-CD1 4.15Å; P173-Y332 HydrophobicContact CG-CE1 4.48Å; P173-Y332 WeakPolarHBondContact O-CE1 3.37Å; R328-Y332 HydrophobicContact CG-CE2 3.69Å; R328-Y332 VanDerWaalsContact O-CD2 3.27Å; R328-Y332 WeakPolarHBondContact O-CD2 3.46Å; R328-Y332 PolarHBondContact O-N 3.21Å; S329-Y332 PolarHBondContact O-N 3.43Å; S329-Y332 VanDerWaalsContact O-N 3.08Å; Y332-A334 VanDerWaalsContact C-N 3.3Å; Y332-A334 PolarHBondContact O-N 3.18Å; Y332-F335 PolarHBondContact O-N 2.85Å; Y332-F335 VanDerWaalsContact O-N 3.09Å; Y332-E336 WeakPolarHBondContact O-CG 3.18Å; Y332-E336 PolarHBondContact O-N 3.46Å |
| 333 | E | 96.9 | Very high | 96.8 | Very high | 73 Ų | 73 | 48.9 Ų | 48.9 | 34% | 0.341 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.8 | -43.5 | 176.2 | -174.5 | -173.5 | 167.4 | 0 | 0 | 111.2 | P308 S329 F335 E336 N337 | P308-E333 HydrophobicContact CG-CB 4.26Å; P308-E333 HydrophobicContact CG-CG 4.43Å; S329-E333 PolarHBondContact O-N 3.36Å; E333-F335 PolarHBondContact O-N 2.82Å; E333-E336 PolarHBondContact O-N 2.88Å; E333-N337 VanDerWaalsContact O-CB 3.32Å; E333-N337 WeakPolarHBondContact O-CB 3.44Å; E333-N337 VanDerWaalsContact O-CG 3.26Å; E333-N337 PolarHBondContact O-N 2.78Å; E333-N337 PolarHBondContact O-ND2 3.03Å |
| 334 | A | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M305 P308 V310 L322 E330 Y332 M338 | M305-A334 WeakPolarHBondContact CE-O 3.16Å; M305-A334 HydrophobicContact SD-CB 3.75Å; P308-A334 HydrophobicContact CG-CB 3.92Å; V310-A334 HydrophobicContact CG2-CB 3.46Å; V310-A334 VanDerWaalsContact CG2-CB 3.46Å; L322-A334 HydrophobicContact CD2-CB 3.83Å; E330-A334 WeakPolarHBondContact O-CB 3.14Å; E330-A334 PolarHBondContact O-N 2.71Å; Y332-A334 VanDerWaalsContact C-N 3.3Å; Y332-A334 PolarHBondContact O-N 3.18Å; A334-M338 VanDerWaalsContact O-CB 3.25Å; A334-M338 WeakPolarHBondContact O-CB 3.21Å; A334-M338 PolarHBondContact O-N 3.1Å |
| 335 | F | 97.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.1 | -40.8 | 178.3 | -178.1 | -107.8 | 0 | 0 | 0 | 112.2 | I171 P173 C272 V274 L322 I331 Y332 E333 M338 Y339 | I171-F335 HydrophobicContact CB-CE1 3.99Å; I171-F335 HydrophobicContact CB-CZ 4.06Å; I171-F335 HydrophobicContact CG2-CE1 4.03Å; I171-F335 HydrophobicContact CG2-CZ 3.82Å; I171-F335 WeakPolarHBondContact O-CE1 3.47Å; P173-F335 HydrophobicContact CG-CB 3.56Å; P173-F335 HydrophobicContact CG-CD1 3.72Å; P173-F335 HydrophobicContact CG-CD2 4.36Å; P173-F335 HydrophobicContact CG-CG 3.59Å; C272-F335 HydrophobicContact CB-CE2 4.26Å; C272-F335 HydrophobicContact CB-CZ 4.46Å; C272-F335 WeakPolarHBondContact SG-CD2 3.44Å; C272-F335 WeakPolarHBondContact SG-CE2 3.49Å; V274-F335 HydrophobicContact CG1-CE2 3.93Å; V274-F335 HydrophobicContact CG1-CZ 4.08Å; L322-F335 HydrophobicContact CD2-CB 4.29Å; I331-F335 WeakPolarHBondContact O-CB 3.34Å; I331-F335 PolarHBondContact O-N 2.82Å; Y332-F335 PolarHBondContact O-N 2.85Å; Y332-F335 VanDerWaalsContact O-N 3.09Å; E333-F335 PolarHBondContact O-N 2.82Å; F335-M338 PolarHBondContact O-N 2.83Å; F335-Y339 HydrophobicContact CE1-CD2 4.3Å; F335-Y339 HydrophobicContact CE2-CD2 4.43Å; F335-Y339 AromaticContact CZ-CD2 3.77Å; F335-Y339 HydrophobicContact CZ-CD2 3.77Å; F335-Y339 WeakPolarHBondContact O-CB 3.5Å; F335-Y339 PolarHBondContact O-N 3.48Å |
| 336 | E | 95.9 | Very high | 96.7 | Very high | 113 Ų | 113 | 55.7 Ų | 55.7 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 175.3 | -71.7 | -179.5 | 173.3 | 0 | 0 | 111.5 | Y332 E333 M338 P340 | Y332-E336 WeakPolarHBondContact O-CG 3.18Å; Y332-E336 PolarHBondContact O-N 3.46Å; E333-E336 PolarHBondContact O-N 2.88Å; E336-M338 PolarHBondContact O-N 3.34Å; E336-P340 WeakPolarHBondContact O-CD 3.39Å |
| 337 | N | 95.7 | Very high | 96.5 | Very high | 78 Ų | 78 | 54.5 Ų | 54.5 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.3 | -36.3 | 173.5 | -75 | -28.7 | 0 | 0 | 0 | 112.8 | M305 E333 | M305-N337 HydrophobicContact CE-CB 4.07Å; M305-N337 HydrophobicContact SD-CB 4.36Å; E333-N337 VanDerWaalsContact O-CB 3.32Å; E333-N337 WeakPolarHBondContact O-CB 3.44Å; E333-N337 VanDerWaalsContact O-CG 3.26Å; E333-N337 PolarHBondContact O-N 2.78Å; E333-N337 PolarHBondContact O-ND2 3.03Å |
| 338 | M | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -84.5 | -32.7 | -176.5 | -162 | 69.7 | -154.8 | 0 | 0 | 113.5 | L283 Y303 M305 L312 I314 A334 F335 E336 I341 L342 | L283-M338 HydrophobicContact CD1-CE 4.15Å; L283-M338 HydrophobicContact CD2-CE 4.46Å; Y303-M338 HydrophobicContact CD1-SD 4.09Å; Y303-M338 HydrophobicContact CD2-CE 3.83Å; Y303-M338 HydrophobicContact CD2-SD 4.33Å; Y303-M338 HydrophobicContact CE1-SD 3.94Å; Y303-M338 HydrophobicContact CE2-CE 3.75Å; Y303-M338 HydrophobicContact CE2-SD 4.16Å; Y303-M338 HydrophobicContact CG-CE 4.29Å; Y303-M338 HydrophobicContact CG-SD 4.29Å; M305-M338 HydrophobicContact CE-CB 4.07Å; M305-M338 HydrophobicContact CE-SD 4.2Å; L312-M338 HydrophobicContact CD2-CB 4Å; L312-M338 HydrophobicContact CD2-CG 3.95Å; I314-M338 HydrophobicContact CD1-CE 3.93Å; A334-M338 VanDerWaalsContact O-CB 3.25Å; A334-M338 WeakPolarHBondContact O-CB 3.21Å; A334-M338 PolarHBondContact O-N 3.1Å; F335-M338 PolarHBondContact O-N 2.83Å; E336-M338 PolarHBondContact O-N 3.34Å; M338-I341 HydrophobicContact CE-CB 4.02Å; M338-I341 HydrophobicContact CE-CD1 4.4Å; M338-I341 HydrophobicContact CE-CG2 3.74Å; M338-I341 WeakPolarHBondContact O-CA 3.38Å; M338-I341 VanDerWaalsContact O-CB 3.32Å; M338-I341 WeakPolarHBondContact O-CB 3.4Å; M338-I341 PolarHBondContact O-N 2.9Å; M338-I341 HydrophobicContact SD-CB 4.48Å; M338-I341 HydrophobicContact SD-CD1 4.04Å; M338-L342 HydrophobicContact CE-CD2 3.67Å; M338-L342 HydrophobicContact CE-CG 4.33Å; M338-L342 HydrophobicContact CG-CD1 4.16Å; M338-L342 HydrophobicContact CG-CD2 4.12Å; M338-L342 HydrophobicContact CG-CG 3.95Å; M338-L342 WeakPolarHBondContact O-CG 3.39Å; M338-L342 PolarHBondContact O-N 2.94Å |
| 339 | Y | 96.9 | Very high | 95.6 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -50.9 | -52.6 | -174.4 | -178.6 | -89.2 | 0 | 0 | 0 | 114.7 | S169 I171 V274 F276 F335 I341 L342 E343 | S169-Y339 VanDerWaalsContact CB-CE2 3.43Å; I171-Y339 HydrophobicContact CD1-CE2 4.35Å; V274-Y339 HydrophobicContact CB-CE2 4.29Å; V274-Y339 HydrophobicContact CG1-CD2 4.14Å; V274-Y339 HydrophobicContact CG1-CE2 4.27Å; F276-Y339 HydrophobicContact CE1-CE2 4.14Å; F276-Y339 HydrophobicContact CZ-CE2 4.45Å; F335-Y339 HydrophobicContact CE1-CD2 4.3Å; F335-Y339 HydrophobicContact CE2-CD2 4.43Å; F335-Y339 AromaticContact CZ-CD2 3.77Å; F335-Y339 HydrophobicContact CZ-CD2 3.77Å; F335-Y339 WeakPolarHBondContact O-CB 3.5Å; F335-Y339 PolarHBondContact O-N 3.48Å; Y339-I341 PolarHBondContact O-N 3.28Å; Y339-L342 PolarHBondContact O-N 3.24Å; Y339-L342 VanDerWaalsContact O-N 3.11Å; Y339-E343 HydrophobicContact CE1-CB 4.24Å; Y339-E343 PolarHBondContact O-N 3.25Å; Y339-E343 PolarHBondContact OH-OE1 3.39Å |
| 340 | P | 96.4 | Very high | 95.5 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.2 | -27.7 | -179.3 | 26.4 | -34.8 | 0 | 0 | 0 | 112.6 | E336 S344 | E336-P340 WeakPolarHBondContact O-CD 3.39Å; P340-S344 PolarHBondContact O-N 2.86Å |
| 341 | I | 96.4 | Very high | 95.4 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 21% | 0.205 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.2 | -51.4 | 172.5 | -55.9 | 172.1 | 0 | 0 | 0 | 109.1 | L283 H287 M338 Y339 E343 S344 F345 | L283-I341 HydrophobicContact CD1-CG2 4.01Å; H287-I341 WeakPolarHBondContact NE2-CG2 3.5Å; M338-I341 HydrophobicContact CE-CB 4.02Å; M338-I341 HydrophobicContact CE-CD1 4.4Å; M338-I341 HydrophobicContact CE-CG2 3.74Å; M338-I341 WeakPolarHBondContact O-CA 3.38Å; M338-I341 VanDerWaalsContact O-CB 3.32Å; M338-I341 WeakPolarHBondContact O-CB 3.4Å; M338-I341 PolarHBondContact O-N 2.9Å; M338-I341 HydrophobicContact SD-CB 4.48Å; M338-I341 HydrophobicContact SD-CD1 4.04Å; Y339-I341 PolarHBondContact O-N 3.28Å; I341-E343 VanDerWaalsContact C-N 3.31Å; I341-E343 PolarHBondContact O-N 2.84Å; I341-S344 PolarHBondContact O-N 3.45Å; I341-S344 PolarHBondContact O-OG 3.02Å; I341-F345 HydrophobicContact CG2-CD2 4.11Å; I341-F345 HydrophobicContact CG2-CE2 3.81Å; I341-F345 WeakPolarHBondContact O-CD2 3.24Å; I341-F345 PolarHBondContact O-N 2.91Å |
| 342 | L | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 179.6 | -59 | 179.8 | 0 | 0 | 0 | 112.1 | V274 F276 I278 L283 I314 V320 M338 Y339 S344 F345 K346 | V274-L342 HydrophobicContact CG1-CD1 3.98Å; F276-L342 HydrophobicContact CE2-CB 4.49Å; F276-L342 WeakPolarHBondContact CE2-O 3.39Å; F276-L342 HydrophobicContact CZ-CB 4.47Å; I278-L342 HydrophobicContact CD1-CB 4.21Å; I278-L342 HydrophobicContact CD1-CD1 4.42Å; I278-L342 HydrophobicContact CD1-CD2 4.15Å; I278-L342 HydrophobicContact CD1-CG 4.47Å; L283-L342 HydrophobicContact CD2-CD2 4.05Å; I314-L342 HydrophobicContact CD1-CD2 4Å; I314-L342 HydrophobicContact CG1-CD2 4.44Å; I314-L342 HydrophobicContact CG2-CD2 3.89Å; V320-L342 HydrophobicContact CG2-CD1 3.93Å; M338-L342 HydrophobicContact CE-CD2 3.67Å; M338-L342 HydrophobicContact CE-CG 4.33Å; M338-L342 HydrophobicContact CG-CD1 4.16Å; M338-L342 HydrophobicContact CG-CD2 4.12Å; M338-L342 HydrophobicContact CG-CG 3.95Å; M338-L342 WeakPolarHBondContact O-CG 3.39Å; M338-L342 PolarHBondContact O-N 2.94Å; Y339-L342 PolarHBondContact O-N 3.24Å; Y339-L342 VanDerWaalsContact O-N 3.11Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 3.05Å; L342-F345 CarbonylContact O-C 3.48Å; L342-F345 PolarHBondContact O-N 2.9Å; L342-F345 VanDerWaalsContact O-N 3.1Å; L342-K346 PolarHBondContact O-N 3.14Å; L342-K346 VanDerWaalsContact O-N 3.16Å |
| 343 | E | 96.1 | Very high | 95.2 | Very high | 90 Ų | 90 | 59.4 Ų | 59.4 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -38 | 178.3 | -169.7 | 161.8 | -113.7 | 0 | 0 | 112.2 | F276 Y339 I341 F345 K346 | F276-E343 HydrophobicContact CZ-CB 4.02Å; F276-E343 HydrophobicContact CZ-CG 4.42Å; Y339-E343 HydrophobicContact CE1-CB 4.24Å; Y339-E343 PolarHBondContact O-N 3.25Å; Y339-E343 PolarHBondContact OH-OE1 3.39Å; I341-E343 VanDerWaalsContact C-N 3.31Å; I341-E343 PolarHBondContact O-N 2.84Å; E343-F345 VanDerWaalsContact C-N 3.27Å; E343-F345 PolarHBondContact O-N 3.04Å; E343-K346 WeakPolarHBondContact O-CB 3.44Å; E343-K346 PolarHBondContact O-N 3.48Å |
| 344 | S | 96.4 | Very high | 95.1 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.1 | -29.3 | 174.2 | 79.3 | 0 | 0 | 0 | 0 | 113.6 | P340 I341 L342 | P340-S344 PolarHBondContact O-N 2.86Å; I341-S344 PolarHBondContact O-N 3.45Å; I341-S344 PolarHBondContact O-OG 3.02Å; L342-S344 VanDerWaalsContact C-N 3.32Å; L342-S344 PolarHBondContact O-N 3.05Å |
| 345 | F | 96.6 | Very high | 94.9 | Very high | 19 Ų | 19 | 62.6 Ų | 62.6 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.9 | 178.6 | -64.1 | -67.5 | 0 | 0 | 0 | 114.6 | I278 R279 I282 L283 T286 H287 I341 L342 E343 K347 | I278-F345 HydrophobicContact CG2-CB 4.02Å; R279-F345 WeakPolarHBondContact CB-O 3.29Å; R279-F345 PolarHBondContact N-O 2.94Å; R279-F345 PolarHBondContact NE-O 2.9Å; I282-F345 HydrophobicContact CB-CD1 4.18Å; I282-F345 HydrophobicContact CB-CE1 4.34Å; I282-F345 HydrophobicContact CG2-CD1 4.07Å; I282-F345 HydrophobicContact CG2-CE1 3.82Å; L283-F345 HydrophobicContact CB-CB 4.49Å; L283-F345 HydrophobicContact CB-CD1 4.43Å; L283-F345 HydrophobicContact CB-CD2 3.98Å; L283-F345 HydrophobicContact CB-CE2 4.35Å; L283-F345 HydrophobicContact CB-CG 4.04Å; L283-F345 HydrophobicContact CD1-CD2 3.61Å; L283-F345 HydrophobicContact CD1-CE2 3.58Å; L283-F345 HydrophobicContact CD1-CZ 4.44Å; L283-F345 HydrophobicContact CG-CD2 4.29Å; T286-F345 HydrophobicContact CG2-CZ 4.03Å; H287-F345 AromaticContact CD2-CE2 3.9Å; H287-F345 AromaticContact NE2-CE2 3.76Å; I341-F345 HydrophobicContact CG2-CD2 4.11Å; I341-F345 HydrophobicContact CG2-CE2 3.81Å; I341-F345 WeakPolarHBondContact O-CD2 3.24Å; I341-F345 PolarHBondContact O-N 2.91Å; L342-F345 CarbonylContact O-C 3.48Å; L342-F345 PolarHBondContact O-N 2.9Å; L342-F345 VanDerWaalsContact O-N 3.1Å; E343-F345 VanDerWaalsContact C-N 3.27Å; E343-F345 PolarHBondContact O-N 3.04Å; F345-K347 PolarHBondContact O-N 3.24Å |
| 346 | K | 96.3 | Very high | 94.7 | Very high | 90 Ų | 90 | 67.2 Ų | 67.2 | 39% | 0.391 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -46.1 | 136.2 | 172 | 179.4 | 167.9 | 178.4 | 176.2 | 0 | 111.8 | F276 P277 R279 L342 E343 | F276-K346 HydrophobicContact CB-CD 3.93Å; F276-K346 HydrophobicContact CB-CG 4.02Å; F276-K346 HydrophobicContact CD1-CD 4.13Å; F276-K346 HydrophobicContact CD2-CB 3.71Å; F276-K346 HydrophobicContact CD2-CD 3.85Å; F276-K346 HydrophobicContact CD2-CG 3.62Å; F276-K346 HydrophobicContact CE2-CB 3.91Å; F276-K346 HydrophobicContact CE2-CD 4.39Å; F276-K346 HydrophobicContact CE2-CG 4.29Å; F276-K346 HydrophobicContact CG-CB 4.43Å; F276-K346 HydrophobicContact CG-CD 3.71Å; F276-K346 HydrophobicContact CG-CG 3.9Å; P277-K346 WeakPolarHBondContact O-CA 3.45Å; R279-K346 VanDerWaalsContact CZ-O 3.28Å; R279-K346 PolarHBondContact NE-O 3.17Å; R279-K346 VanDerWaalsContact NE-O 3.1Å; R279-K346 PolarHBondContact NH2-O 3.32Å; L342-K346 PolarHBondContact O-N 3.14Å; L342-K346 VanDerWaalsContact O-N 3.16Å; E343-K346 WeakPolarHBondContact O-CB 3.44Å; E343-K346 PolarHBondContact O-N 3.48Å |
| 347 | K | 91.3 | Very high | 94.6 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 33% | 0.33 | 34% | 0.343 | S | S | . | . | trans | -75.3 | 128.4 | 168.5 | -72.8 | 173.2 | 168 | 148.2 | 0 | 107.9 | P277 I278 R279 E281 F345 | P277-K347 HydrophobicContact CB-CB 4.3Å; P277-K347 HydrophobicContact CB-CD 4.31Å; P277-K347 HydrophobicContact CG-CB 4.09Å; P277-K347 PolarHBondContact O-N 2.88Å; I278-K347 WeakPolarHBondContact O-CE 3.21Å; I278-K347 PolarHBondContact O-NZ 3.21Å; R279-K347 HydrophobicContact CG-CD 4.24Å; R279-K347 HydrophobicContact CG-CG 3.45Å; R279-K347 VanDerWaalsContact CG-CG 3.45Å; E281-K347 IonicContact OE1-NZ 2.74Å; E281-K347 IonicContact OE2-NZ 3.56Å; F345-K347 PolarHBondContact O-N 3.24Å | ||
| 348 | V | 79.7 | Confident | 94.5 | Very high | 200 Ų | 200 | 62 Ų | 62 | 100% | 1.212 | 34% | 0.336 | S | S | * | . | trans | -88.2 | 0 | 175.3 | -177 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 348 of 348 residues in 54.2 ms
(Link to these results)