| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.2 | Low | 58.3 | Low | 234 Ų | 234 | 139.9 Ų | 139.9 | 100% | 1.153 | 70% | 0.7 | S | S | * | * | 0 | 71.9 | 0 | -71.3 | 168.5 | 93.4 | 0 | 0 | 110.1 | |||||
| 2 | Y | 59.8 | Low | 58.2 | Low | 213 Ų | 213 | 138.8 Ų | 138.8 | 84% | 0.835 | 70% | 0.696 | S | S | * | * | trans | -129.9 | 4 | -176.2 | -84.5 | -79 | 0 | 0 | 0 | 114.6 | ||||
| 3 | V | 57.6 | Low | 58 | Low | 118 Ų | 118 | 142.8 Ų | 142.8 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -19.9 | -170.1 | -168.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 4 | Y | 55.6 | Low | 57.4 | Low | 219 Ų | 219 | 137 Ų | 137 | 86% | 0.859 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -83.3 | -10.8 | -179.2 | -80.1 | -82.2 | 0 | 0 | 0 | 114.9 | ||
| 5 | S | 61.4 | Low | 57.1 | Low | 77 Ų | 77 | 133.4 Ų | 133.4 | 54% | 0.538 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -82 | -22.9 | -178.4 | -167.5 | 0 | 0 | 0 | 0 | 113.5 | I9 | S5-I9 WeakPolarHBondContact O-CG1 3.5Å |
| 6 | A | 58.5 | Low | 56.8 | Low | 59 Ų | 59 | 135.4 Ų | 135.4 | 49% | 0.488 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -80.3 | -31 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I9 L10 | A6-I9 PolarHBondContact O-N 3.07Å; A6-L10 PolarHBondContact O-N 3.46Å |
| 7 | F | 59.7 | Low | 56.5 | Low | 146 Ų | 146 | 132.9 Ų | 132.9 | 64% | 0.64 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -72.1 | -31.6 | 179.6 | -93.2 | -85.7 | 0 | 0 | 0 | 113.3 | I9 L10 L11 | F7-I9 VanDerWaalsContact C-N 3.33Å; F7-I9 PolarHBondContact O-N 2.8Å; F7-L10 PolarHBondContact O-N 2.81Å; F7-L11 PolarHBondContact O-N 2.87Å |
| 8 | L | 57.5 | Low | 56.1 | Low | 120 Ų | 120 | 134.2 Ų | 134.2 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -69.7 | -31 | 177 | -128.8 | 90 | 0 | 0 | 0 | 112.5 | L12 | L8-L12 PolarHBondContact O-N 2.85Å |
| 9 | I | 60.1 | Low | 55.8 | Low | 90 Ų | 90 | 138.7 Ų | 138.7 | 46% | 0.462 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -74.4 | -31.4 | 179.7 | -61.7 | 171.3 | 0 | 0 | 0 | 111.1 | S5 A6 F7 R13 | S5-I9 WeakPolarHBondContact O-CG1 3.5Å; A6-I9 PolarHBondContact O-N 3.07Å; F7-I9 VanDerWaalsContact C-N 3.33Å; F7-I9 PolarHBondContact O-N 2.8Å; I9-R13 PolarHBondContact O-N 3.1Å |
| 10 | L | 59.2 | Low | 55.4 | Low | 125 Ų | 125 | 142.1 Ų | 142.1 | 65% | 0.654 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -73.6 | -32.8 | 176.6 | -85.2 | 156.7 | 0 | 0 | 0 | 112.9 | A6 F7 | A6-L10 PolarHBondContact O-N 3.46Å; F7-L10 PolarHBondContact O-N 2.81Å |
| 11 | L | 57.2 | Low | 55 | Low | 138 Ų | 138 | 140 Ų | 140 | 72% | 0.723 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -73.5 | -29.4 | 176.7 | -70.1 | 172.7 | 0 | 0 | 0 | 113 | F7 | F7-L11 PolarHBondContact O-N 2.87Å |
| 12 | L | 57.4 | Low | 54.4 | Low | 126 Ų | 126 | 134.5 Ų | 134.5 | 66% | 0.66 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -77.4 | -29.7 | 177.5 | -71.9 | 166.4 | 0 | 0 | 0 | 113 | L8 G14 | L8-L12 PolarHBondContact O-N 2.85Å; L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 3.24Å |
| 13 | R | 55.5 | Low | 53.8 | Low | 192 Ų | 192 | 129.8 Ų | 129.8 | 73% | 0.725 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -76.9 | -16 | 177 | -75.7 | -175.7 | 172.4 | 163.6 | -0.8 | 114.4 | I9 | I9-R13 PolarHBondContact O-N 3.1Å |
| 14 | G | 48.6 | Very low | 53.2 | Low | 61 Ų | 61 | 129.4 Ų | 129.4 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -20.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L12 | L12-G14 VanDerWaalsContact C-N 3.34Å; L12-G14 PolarHBondContact O-N 3.24Å |
| 15 | A | 52.8 | Low | 52.5 | Low | 83 Ų | 83 | 127.2 Ų | 127.2 | 69% | 0.686 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -87.1 | -16.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 16 | E | 52.6 | Low | 51.1 | Low | 166 Ų | 166 | 134.6 Ų | 134.6 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -92.7 | -11.6 | -176.2 | -69 | -172.8 | 154.9 | 0 | 0 | 114.1 | N18 | E16-N18 VanDerWaalsContact C-N 3.3Å; E16-N18 PolarHBondContact O-N 2.92Å |
| 17 | A | 51.9 | Low | 50 | Low | 92 Ų | 92 | 140.7 Ų | 140.7 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 18 | N | 49.8 | Very low | 48.9 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 16.8 | -173.6 | -134.7 | -13.7 | 0 | 0 | 0 | 115.1 | E16 | E16-N18 VanDerWaalsContact C-N 3.3Å; E16-N18 PolarHBondContact O-N 2.92Å |
| 19 | R | 49.2 | Very low | 47.8 | Very low | 219 Ų | 219 | 139.9 Ų | 139.9 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | trans | -100.3 | 17.6 | -172.7 | -138.9 | 178.1 | -171.2 | 176.7 | 1.5 | 115.6 | ||||
| 20 | K | 49.5 | Very low | 46.9 | Very low | 207 Ų | 207 | 144.4 Ų | 144.4 | 90% | 0.9 | 76% | 0.756 | S | S | * | * | trans | -131.4 | 32.4 | -173.7 | -71.9 | -169.6 | 178.9 | -179 | 0 | 116.8 | ||||
| 21 | S | 46.3 | Very low | 45.9 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | -121.1 | 78.6 | 165.4 | -160.7 | 0 | 0 | 0 | 0 | 110.9 | V23 | S21-V23 PolarHBondContact O-N 3.18Å; S21-V23 VanDerWaalsContact O-N 3.07Å | ||
| 22 | S | 43.3 | Very low | 45.2 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -75.2 | 78.9 | 161.1 | 54.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 23 | V | 47.3 | Very low | 44.7 | Very low | 114 Ų | 114 | 151 Ų | 151 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | -64.1 | 127.2 | 161.3 | -179.9 | 0 | 0 | 0 | 0 | 106.1 | S21 L25 | S21-V23 PolarHBondContact O-N 3.18Å; S21-V23 VanDerWaalsContact O-N 3.07Å; V23-L25 PolarHBondContact O-N 3.04Å; V23-L25 VanDerWaalsContact O-N 3.17Å | ||
| 24 | P | 43.5 | Very low | 44.6 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -56.5 | 127 | 177.7 | 22.6 | -31.3 | 0 | 0 | 0 | 108.4 | R26 | P24-R26 PolarHBondContact O-N 2.85Š| ||
| 25 | L | 40.4 | Very low | 44.9 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | trans | -53.3 | 101.9 | 175.1 | -147.3 | 104.3 | 0 | 0 | 0 | 107.1 | V23 K27 | V23-L25 PolarHBondContact O-N 3.04Å; V23-L25 VanDerWaalsContact O-N 3.17Å; L25-K27 PolarHBondContact O-N 3.07Å | ||
| 26 | R | 33.5 | Very low | 45.1 | Very low | 232 Ų | 232 | 153.1 Ų | 153.1 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | -64.5 | 108 | 177.1 | -157.5 | 178.9 | -168.3 | -169.8 | 3.1 | 104.8 | P24 V28 | P24-R26 PolarHBondContact O-N 2.85Å; R26-V28 VanDerWaalsContact C-N 3.35Å; R26-V28 PolarHBondContact O-N 3.46Å | ||
| 27 | K | 34.1 | Very low | 45.5 | Very low | 187 Ų | 187 | 155.3 Ų | 155.3 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -49.8 | 102.8 | 172.8 | -126.7 | 178.9 | -178.1 | -178.9 | 0 | 106.5 | L25 I29 | L25-K27 PolarHBondContact O-N 3.07Å; K27-I29 PolarHBondContact O-N 2.8Å | ||
| 28 | V | 36.3 | Very low | 46.1 | Very low | 107 Ų | 107 | 158.1 Ų | 158.1 | 65% | 0.648 | 78% | 0.78 | S | S | * | * | trans | -71.8 | 92.8 | 168 | -179.4 | 0 | 0 | 0 | 0 | 103.9 | R26 F30 | R26-V28 VanDerWaalsContact C-N 3.35Å; R26-V28 PolarHBondContact O-N 3.46Å; V28-F30 VanDerWaalsContact C-N 3.26Å; V28-F30 HydrophobicContact CB-CD2 4.5Å; V28-F30 HydrophobicContact CB-CE2 4.36Å; V28-F30 HydrophobicContact CG1-CD2 3.87Å; V28-F30 HydrophobicContact CG1-CE2 3.76Å; V28-F30 HydrophobicContact CG1-CG 4.41Å; V28-F30 HydrophobicContact CG1-CZ 4.21Å; V28-F30 PolarHBondContact O-N 2.86Å | ||
| 29 | I | 36.4 | Very low | 47 | Very low | 143 Ų | 143 | 158.2 Ų | 158.2 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | -64.7 | 100.6 | 162.6 | -59.7 | 174.2 | 0 | 0 | 0 | 103.5 | K27 E31 | K27-I29 PolarHBondContact O-N 2.8Å; I29-E31 PolarHBondContact O-N 3.28Å | ||
| 30 | F | 39.7 | Very low | 48.3 | Very low | 184 Ų | 184 | 149.9 Ų | 149.9 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | trans | -65.3 | 98.5 | 162.7 | -82.8 | -88 | 0 | 0 | 0 | 105.6 | V28 E32 | V28-F30 VanDerWaalsContact C-N 3.26Å; V28-F30 HydrophobicContact CB-CD2 4.5Å; V28-F30 HydrophobicContact CB-CE2 4.36Å; V28-F30 HydrophobicContact CG1-CD2 3.87Å; V28-F30 HydrophobicContact CG1-CE2 3.76Å; V28-F30 HydrophobicContact CG1-CG 4.41Å; V28-F30 HydrophobicContact CG1-CZ 4.21Å; V28-F30 PolarHBondContact O-N 2.86Å; F30-E32 VanDerWaalsContact C-N 3.35Å; F30-E32 PolarHBondContact O-N 3.05Å | ||
| 31 | E | 39.1 | Very low | 49.2 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -64.8 | 103.4 | 164 | -162.3 | 174.9 | -155.1 | 0 | 0 | 105.8 | I29 K33 | I29-E31 PolarHBondContact O-N 3.28Å; E31-K33 PolarHBondContact O-N 2.83Å | ||
| 32 | E | 42.4 | Very low | 50.1 | Low | 187 Ų | 187 | 149.2 Ų | 149.2 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -62.9 | 85.1 | 171.5 | -172.1 | 174 | -173.5 | 0 | 0 | 107.3 | F30 A34 | F30-E32 VanDerWaalsContact C-N 3.35Å; F30-E32 PolarHBondContact O-N 3.05Å; E32-A34 PolarHBondContact O-N 2.78Å | ||
| 33 | K | 47.3 | Very low | 50.9 | Low | 180 Ų | 180 | 146.3 Ų | 146.3 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | trans | -62.5 | 121.9 | 170.7 | -88.4 | -173.1 | 175.3 | -178.3 | 0 | 107.5 | E31 D35 | E31-K33 PolarHBondContact O-N 2.83Å; K33-D35 PolarHBondContact O-N 2.95Å | ||
| 34 | A | 53.6 | Low | 51.4 | Low | 92 Ų | 92 | 147 Ų | 147 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | trans | -42 | 132.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E32 H36 | E32-A34 PolarHBondContact O-N 2.78Å; A34-H36 VanDerWaalsContact C-N 3.31Å; A34-H36 PolarHBondContact O-N 2.96Å | ||
| 35 | D | 53.3 | Low | 52.1 | Low | 125 Ų | 125 | 144.5 Ų | 144.5 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | trans | -33.1 | 77.7 | 173 | -167.2 | 16.3 | 0 | 0 | 0 | 114.3 | K33 R37 | K33-D35 PolarHBondContact O-N 2.95Å; D35-R37 PolarHBondContact O-N 3.12Å; D35-R37 VanDerWaalsContact O-N 3.16Å; D35-R37 WeakPolarHBondContact OD1-CB 3.42Å; D35-R37 WeakPolarHBondContact OD1-CD 3.43Å; D35-R37 VanDerWaalsContact OD1-CG 3.22Å; D35-R37 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 36 | H | 58.4 | Low | 52.8 | Low | 164 Ų | 164 | 142.1 Ų | 142.1 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | trans | -86.3 | 70.5 | 162.2 | -121.7 | 47 | 0 | 0 | 0 | 108.2 | A34 E38 | A34-H36 VanDerWaalsContact C-N 3.31Å; A34-H36 PolarHBondContact O-N 2.96Å; H36-E38 PolarHBondContact O-N 2.86Å | ||
| 37 | R | 60.8 | Low | 54 | Low | 211 Ų | 211 | 140.4 Ų | 140.4 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | trans | -69.7 | 51 | 164.9 | -109.2 | 178.7 | 179.4 | -167.6 | 3.8 | 110.7 | D35 K39 | D35-R37 PolarHBondContact O-N 3.12Å; D35-R37 VanDerWaalsContact O-N 3.16Å; D35-R37 WeakPolarHBondContact OD1-CB 3.42Å; D35-R37 WeakPolarHBondContact OD1-CD 3.43Å; D35-R37 VanDerWaalsContact OD1-CG 3.22Å; D35-R37 WeakPolarHBondContact OD1-CG 3.4Å; R37-K39 PolarHBondContact O-N 2.89Å | ||
| 38 | E | 64.3 | Low | 55.3 | Low | 152 Ų | 152 | 139 Ų | 139 | 71% | 0.71 | 69% | 0.694 | S | S | * | * | trans | -70.7 | 91.9 | 156.6 | -97 | -176.2 | 156.3 | 0 | 0 | 106.3 | H36 C40 | H36-E38 PolarHBondContact O-N 2.86Å; E38-C40 PolarHBondContact O-N 2.85Å | ||
| 39 | K | 67.3 | Low | 56.6 | Low | 159 Ų | 159 | 136.3 Ų | 136.3 | 69% | 0.691 | 68% | 0.677 | S | S | * | * | trans | -44.5 | 133.5 | 171.8 | -67.8 | 172 | 175 | 178.3 | 0 | 108 | R37 H41 | R37-K39 PolarHBondContact O-N 2.89Å; K39-H41 WeakPolarHBondContact CB-CD2 3.49Å; K39-H41 VanDerWaalsContact CD-CD2 3.47Å; K39-H41 WeakPolarHBondContact CD-CD2 3.46Å; K39-H41 PolarHBondContact O-N 3.23Å | ||
| 40 | C | 76.5 | Confident | 58.6 | Low | 44 Ų | 44 | 137 Ų | 137 | 30% | 0.297 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -65.7 | 44.8 | 179.4 | -32.2 | 0 | 0 | 0 | 0 | 113.4 | E38 V43 K78 C81 | E38-C40 PolarHBondContact O-N 2.85Å; C40-V43 HydrophobicContact CB-CG2 4.07Å; C40-K78 PolarHBondContact SG-O 3.28Å; C40-C81 HydrophobicContact CB-CB 3.98Å; C40-C81 WeakPolarHBondContact CB-SG 3.44Å; C40-C81 VanDerWaalsContact SG-CA 3.55Å; C40-C81 WeakPolarHBondContact SG-CB 3.4Å; C40-C81 CovalentContact SG-SG 2.03Å; C40-C81 PolarHBondContact SG-SG 2.89Å |
| 41 | H | 69.3 | Low | 61 | Low | 146 Ų | 146 | 128.7 Ų | 128.7 | 68% | 0.676 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -15.9 | -168.6 | -87.8 | -53.7 | 0 | 0 | 0 | 114 | K39 | K39-H41 WeakPolarHBondContact CB-CD2 3.49Å; K39-H41 VanDerWaalsContact CD-CD2 3.47Å; K39-H41 WeakPolarHBondContact CD-CD2 3.46Å; K39-H41 PolarHBondContact O-N 3.23Å |
| 42 | D | 65.7 | Low | 63.6 | Low | 146 Ų | 146 | 121 Ų | 121 | 78% | 0.781 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 44 | 179.2 | -74.9 | -40.5 | 0 | 0 | 0 | 112.8 | T44 | D42-T44 PolarHBondContact O-N 3.24Š|
| 43 | V | 58.9 | Low | 66.1 | Low | 56 Ų | 56 | 117 Ų | 117 | 34% | 0.339 | 60% | 0.601 | S | S | . | * | trans | -79.5 | 54.1 | 165.6 | -160.7 | 0 | 0 | 0 | 0 | 109.6 | C40 S45 L46 F76 | C40-V43 HydrophobicContact CB-CG2 4.07Å; V43-S45 PolarHBondContact O-N 2.56Å; V43-L46 HydrophobicContact CG1-CD1 4.05Å; V43-F76 HydrophobicContact CG2-CZ 4.27Å | ||
| 44 | T | 58.7 | Low | 68.3 | Low | 128 Ų | 128 | 109.9 Ų | 109.9 | 79% | 0.785 | 57% | 0.571 | S | S | * | * | trans | -83.8 | 1.2 | 173.8 | -23.2 | 0 | 0 | 0 | 0 | 111.3 | D42 | D42-T44 PolarHBondContact O-N 3.24Š| ||
| 45 | S | 57.6 | Low | 70.1 | Confident | 59 Ų | 59 | 111.4 Ų | 111.4 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | trans | -117 | 67.5 | 169.6 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | V43 E47 | V43-S45 PolarHBondContact O-N 2.56Å; S45-E47 PolarHBondContact O-N 3.27Å | ||
| 46 | L | 56.4 | Low | 72 | Confident | 122 Ų | 122 | 113.9 Ų | 113.9 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -63.8 | -16.8 | 171 | -142.1 | 92.4 | 0 | 0 | 0 | 111.4 | V43 Q48 V49 | V43-L46 HydrophobicContact CG1-CD1 4.05Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 2.9Å; L46-V49 WeakPolarHBondContact O-CB 3.12Å; L46-V49 WeakPolarHBondContact O-CG2 3.43Å; L46-V49 PolarHBondContact O-N 2.92Å |
| 47 | E | 57.5 | Low | 73.8 | Confident | 196 Ų | 196 | 112.6 Ų | 112.6 | 92% | 0.916 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -71.7 | -17.8 | -178.3 | -73.6 | -174.7 | 146.7 | 0 | 0 | 114.6 | S45 | S45-E47 PolarHBondContact O-N 3.27Š|
| 48 | Q | 62 | Low | 75.4 | Confident | 158 Ų | 158 | 107.1 Ų | 107.1 | 74% | 0.738 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -95.2 | 7.1 | 174.9 | -79.4 | -176.8 | -8 | 0 | 0 | 114.2 | L46 L50 | L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 2.9Å; Q48-L50 VanDerWaalsContact C-N 3.29Å; Q48-L50 PolarHBondContact O-N 2.86Å |
| 49 | V | 64 | Low | 76.9 | Confident | 49 Ų | 49 | 102.1 Ų | 102.1 | 30% | 0.297 | 53% | 0.531 | S | S | . | . | trans | -77.8 | 85.7 | 176.7 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | L46 G51 V83 | L46-V49 WeakPolarHBondContact O-CB 3.12Å; L46-V49 WeakPolarHBondContact O-CG2 3.43Å; L46-V49 PolarHBondContact O-N 2.92Å; V49-G51 PolarHBondContact O-N 2.77Å; V49-V83 HydrophobicContact CG1-CB 3.92Å; V49-V83 HydrophobicContact CG1-CG1 3.16Å; V49-V83 HydrophobicContact CG1-CG2 3.51Å | ||
| 50 | L | 77.5 | Confident | 78.2 | Confident | 159 Ų | 159 | 98.1 Ų | 98.1 | 83% | 0.832 | 52% | 0.523 | S | S | * | . | trans | -62.2 | 13.7 | -172.9 | -77.3 | 164.8 | 0 | 0 | 0 | 116 | Q48 T58 | Q48-L50 VanDerWaalsContact C-N 3.29Å; Q48-L50 PolarHBondContact O-N 2.86Å; L50-T58 WeakPolarHBondContact O-CG2 3.49Å | ||
| 51 | G | 91.1 | Very high | 78.9 | Confident | 9 Ų | 9 | 101.7 Ų | 101.7 | 9% | 0.093 | 53% | 0.531 | C | S | . | . | trans | 85.1 | 174.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | V49 P53 Y59 V83 | V49-G51 PolarHBondContact O-N 2.77Å; G51-P53 WeakPolarHBondContact O-CD 3.38Å; G51-Y59 CarbonylContact C-O 3.57Å; G51-Y59 VanDerWaalsContact C-O 3.28Å; G51-Y59 WeakPolarHBondContact CA-O 3.39Å; G51-V83 WeakPolarHBondContact O-CG2 3.4Å | ||
| 52 | C | 93.7 | Very high | 80.1 | Confident | 0 Ų | 0 | 99 Ų | 99 | 0% | 0 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.7 | -178.2 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | F54 T58 Y59 C74 T84 M85 | C52-F54 PolarHBondContact O-N 3.25Å; C52-T58 WeakPolarHBondContact O-CA 3.38Å; C52-Y59 PolarHBondContact N-O 3.49Å; C52-Y59 PolarHBondContact O-N 2.87Å; C52-C74 HydrophobicContact CB-CB 3.73Å; C52-C74 WeakPolarHBondContact CB-SG 3.37Å; C52-C74 PolarHBondContact N-SG 3.32Å; C52-C74 WeakPolarHBondContact SG-CA 3.16Å; C52-C74 WeakPolarHBondContact SG-CB 2.86Å; C52-C74 CovalentContact SG-SG 2.02Å; C52-C74 PolarHBondContact SG-SG 3.49Å; C52-T84 PolarHBondContact SG-N 2.05Å; C52-T84 VanDerWaalsContact SG-N 3.44Å; C52-T84 PolarHBondContact SG-O 2.75Å; C52-T84 VanDerWaalsContact SG-O 3.32Å; C52-M85 HydrophobicContact CB-CG 3.68Å; C52-M85 HydrophobicContact CB-SD 3.55Å; C52-M85 VanDerWaalsContact CB-SD 3.55Å |
| 53 | P | 93.3 | Very high | 81.6 | Confident | 101 Ų | 101 | 95 Ų | 95 | 66% | 0.656 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 126.5 | 170 | 28.7 | -32.8 | 0 | 0 | 0 | 110.2 | G51 | G51-P53 WeakPolarHBondContact O-CD 3.38Å |
| 54 | F | 94 | Very high | 83.4 | Confident | 31 Ų | 31 | 98 Ų | 98 | 14% | 0.136 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 121.4 | -178.6 | -169.3 | -115 | 0 | 0 | 0 | 111.2 | C52 N56 K57 Y59 V65 H67 Y72 M85 | C52-F54 PolarHBondContact O-N 3.25Å; F54-N56 PolarHBondContact O-N 2.92Å; F54-K57 PolarHBondContact N-O 3.06Å; F54-K57 PolarHBondContact O-N 2.79Å; F54-K57 VanDerWaalsContact O-O 3.06Å; F54-Y59 HydrophobicContact CB-CD2 3.8Å; F54-Y59 HydrophobicContact CB-CE2 3.74Å; F54-Y59 AromaticContact CD1-CE2 3.98Å; F54-Y59 HydrophobicContact CD1-CE2 3.98Å; F54-Y59 HydrophobicContact CG-CE2 4.37Å; F54-Y59 WeakPolarHBondContact O-CE2 3.47Å; F54-V65 HydrophobicContact CD1-CB 4.47Å; F54-V65 HydrophobicContact CD1-CG1 4.1Å; F54-V65 HydrophobicContact CE1-CB 4.39Å; F54-V65 HydrophobicContact CE1-CG1 4Å; F54-H67 HydrophobicContact CE1-CB 4Å; F54-H67 HydrophobicContact CZ-CB 4.17Å; F54-Y72 HydrophobicContact CE1-CD2 4.07Å; F54-Y72 HydrophobicContact CE1-CE2 4.44Å; F54-Y72 HydrophobicContact CE1-CG 4.31Å; F54-Y72 HydrophobicContact CE2-CD1 4.13Å; F54-Y72 HydrophobicContact CE2-CE1 4.17Å; F54-Y72 HydrophobicContact CE2-CG 4.33Å; F54-Y72 AromaticContact CZ-CD1 3.95Å; F54-Y72 HydrophobicContact CZ-CD1 3.95Å; F54-Y72 AromaticContact CZ-CD2 3.6Å; F54-Y72 HydrophobicContact CZ-CD2 3.6Å; F54-Y72 HydrophobicContact CZ-CE1 4.03Å; F54-Y72 AromaticContact CZ-CE2 3.68Å; F54-Y72 HydrophobicContact CZ-CE2 3.68Å; F54-Y72 AromaticContact CZ-CG 3.74Å; F54-Y72 HydrophobicContact CZ-CG 3.74Å; F54-Y72 AromaticContact CZ-CZ 3.9Å; F54-M85 HydrophobicContact CB-CE 4.2Å; F54-M85 HydrophobicContact CB-CG 3.68Å; F54-M85 HydrophobicContact CD1-CE 3.72Å; F54-M85 HydrophobicContact CD1-CG 4.48Å; F54-M85 HydrophobicContact CD2-CB 3.92Å; F54-M85 HydrophobicContact CD2-CE 4.44Å; F54-M85 HydrophobicContact CD2-CG 3.65Å; F54-M85 HydrophobicContact CE1-CE 4.13Å; F54-M85 HydrophobicContact CE2-CB 4.24Å; F54-M85 HydrophobicContact CE2-CG 4.35Å; F54-M85 HydrophobicContact CG-CB 4.47Å; F54-M85 HydrophobicContact CG-CE 3.9Å; F54-M85 HydrophobicContact CG-CG 3.72Å |
| 55 | F | 91.2 | Very high | 85.3 | Confident | 124 Ų | 124 | 92.7 Ų | 92.7 | 54% | 0.544 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 57.9 | -178.8 | -67.2 | -80.7 | 0 | 0 | 0 | 114.5 | K57 H67 | F55-K57 PolarHBondContact O-N 2.85Å; F55-K57 VanDerWaalsContact O-N 3.12Å; F55-H67 AromaticContact CE1-CE1 3.77Å; F55-H67 AromaticContact CE1-NE2 3.44Å; F55-H67 WeakPolarHBondContact CE1-NE2 2.99Å; F55-H67 HydrophobicContact CE2-CB 4.36Å; F55-H67 AromaticContact CE2-CD2 3.25Å; F55-H67 WeakPolarHBondContact CE2-CD2 3.48Å; F55-H67 AromaticContact CE2-CE1 3.93Å; F55-H67 AromaticContact CE2-CG 3.63Å; F55-H67 AromaticContact CE2-NE2 3.48Å; F55-H67 WeakPolarHBondContact CE2-NE2 3.35Å; F55-H67 AromaticContact CZ-CD2 3.27Å; F55-H67 WeakPolarHBondContact CZ-CD2 2.99Å; F55-H67 AromaticContact CZ-CE1 3.69Å; F55-H67 AromaticContact CZ-NE2 3.03Å; F55-H67 WeakPolarHBondContact CZ-NE2 3.24Å |
| 56 | N | 93 | Very high | 87.1 | Confident | 177 Ų | 177 | 94.2 Ų | 94.2 | 95% | 0.947 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 14.8 | 179 | -57.7 | -16.9 | 0 | 0 | 0 | 115.5 | F54 | F54-N56 PolarHBondContact O-N 2.92Š|
| 57 | K | 96.3 | Very high | 89 | Confident | 137 Ų | 137 | 90.8 Ų | 90.8 | 60% | 0.596 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 157.7 | 171.1 | -66.1 | -174.6 | 178.9 | -177.2 | 0 | 109.7 | F54 F55 Y59 | F54-K57 PolarHBondContact N-O 3.06Å; F54-K57 PolarHBondContact O-N 2.79Å; F54-K57 VanDerWaalsContact O-O 3.06Å; F55-K57 PolarHBondContact O-N 2.85Å; F55-K57 VanDerWaalsContact O-N 3.12Å; K57-Y59 HydrophobicContact CB-CE2 3.78Å |
| 58 | T | 95.5 | Very high | 90.7 | Very high | 96 Ų | 96 | 87 Ų | 87 | 59% | 0.589 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.7 | 174.2 | -54 | 0 | 0 | 0 | 0 | 108.2 | L50 C52 | L50-T58 WeakPolarHBondContact O-CG2 3.49Å; C52-T58 WeakPolarHBondContact O-CA 3.38Å |
| 59 | Y | 95.7 | Very high | 92.3 | Very high | 47 Ų | 47 | 86.2 Ų | 86.2 | 18% | 0.184 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 139.3 | -176.5 | -65.1 | -85.5 | 0 | 0 | 0 | 110.1 | G51 C52 F54 K57 D63 V65 M85 | G51-Y59 CarbonylContact C-O 3.57Å; G51-Y59 VanDerWaalsContact C-O 3.28Å; G51-Y59 WeakPolarHBondContact CA-O 3.39Å; C52-Y59 PolarHBondContact N-O 3.49Å; C52-Y59 PolarHBondContact O-N 2.87Å; F54-Y59 HydrophobicContact CB-CD2 3.8Å; F54-Y59 HydrophobicContact CB-CE2 3.74Å; F54-Y59 AromaticContact CD1-CE2 3.98Å; F54-Y59 HydrophobicContact CD1-CE2 3.98Å; F54-Y59 HydrophobicContact CG-CE2 4.37Å; F54-Y59 WeakPolarHBondContact O-CE2 3.47Å; K57-Y59 HydrophobicContact CB-CE2 3.78Å; Y59-D63 HydrophobicContact CD1-CB 4.4Å; Y59-V65 HydrophobicContact CD1-CG2 3.24Å; Y59-V65 HydrophobicContact CD2-CG2 4Å; Y59-V65 HydrophobicContact CE1-CB 4.29Å; Y59-V65 HydrophobicContact CE1-CG1 4.1Å; Y59-V65 HydrophobicContact CE1-CG2 3.18Å; Y59-V65 HydrophobicContact CE2-CG1 4.44Å; Y59-V65 HydrophobicContact CE2-CG2 3.96Å; Y59-V65 HydrophobicContact CG-CG2 3.65Å; Y59-M85 HydrophobicContact CD2-CE 4.34Å |
| 60 | S | 94.1 | Very high | 93.8 | Very high | 75 Ų | 75 | 84.6 Ų | 84.6 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | trans | -66.5 | 159.8 | 178.8 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | N62 D63 C74 | S60-N62 PolarHBondContact O-N 3.03Å; S60-D63 WeakPolarHBondContact CB-OD2 3.13Å; S60-D63 PolarHBondContact N-OD2 2.88Å; S60-D63 VanDerWaalsContact O-CB 3.24Å; S60-D63 WeakPolarHBondContact O-CB 3.34Å; S60-D63 PolarHBondContact O-N 3.45Å; S60-C74 VanDerWaalsContact O-CB 3.28Å; S60-C74 WeakPolarHBondContact O-CB 3.38Å; S60-C74 PolarHBondContact O-SG 3.26Å; S60-C74 VanDerWaalsContact O-SG 3.35Å | ||
| 61 | Y | 92.3 | Very high | 94.7 | Very high | 119 Ų | 119 | 77.4 Ų | 77.4 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 135.6 | 171.8 | 179.4 | -108.7 | 0 | 0 | 0 | 110.6 | D63 F76 V83 | Y61-D63 PolarHBondContact O-N 3.07Å; Y61-F76 HydrophobicContact CE2-CB 4.22Å; Y61-V83 HydrophobicContact CD2-CG1 4.28Å |
| 62 | N | 93.6 | Very high | 95 | Very high | 89 Ų | 89 | 78 Ų | 78 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 0.3 | -172.4 | -61 | -36.1 | 0 | 0 | 0 | 117.2 | S60 L73 C74 | S60-N62 PolarHBondContact O-N 3.03Å; N62-L73 WeakPolarHBondContact O-CD1 3.03Å; N62-C74 WeakPolarHBondContact CA-O 3.19Å; N62-C74 PolarHBondContact N-O 2.98Å |
| 63 | D | 97 | Very high | 95.1 | Very high | 64 Ų | 64 | 79.7 Ų | 79.7 | 34% | 0.342 | 41% | 0.406 | S | S | . | . | trans | -62.4 | 141.6 | 172.2 | -78.6 | -6.5 | 0 | 0 | 0 | 110.7 | Y59 S60 Y61 C74 | Y59-D63 HydrophobicContact CD1-CB 4.4Å; S60-D63 WeakPolarHBondContact CB-OD2 3.13Å; S60-D63 PolarHBondContact N-OD2 2.88Å; S60-D63 VanDerWaalsContact O-CB 3.24Å; S60-D63 WeakPolarHBondContact O-CB 3.34Å; S60-D63 PolarHBondContact O-N 3.45Å; Y61-D63 PolarHBondContact O-N 3.07Å; D63-C74 PolarHBondContact O-N 2.7Å | ||
| 64 | K | 97.5 | Very high | 95.2 | Very high | 118 Ų | 118 | 74.9 Ų | 74.9 | 51% | 0.513 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.9 | 174.1 | -60.8 | -172.1 | -174.2 | 180 | 0 | 110.4 | E71 Y72 L73 I88 | K64-E71 VanDerWaalsContact CD-OE1 3.3Å; K64-E71 WeakPolarHBondContact CD-OE1 3.01Å; K64-Y72 VanDerWaalsContact CA-O 3.27Å; K64-Y72 WeakPolarHBondContact CA-O 3.28Å; K64-L73 HydrophobicContact CG-CD1 3.9Å; K64-I88 HydrophobicContact CD-CD1 4.41Å |
| 65 | V | 97.1 | Very high | 95.2 | Very high | 16 Ų | 16 | 75.1 Ų | 75.1 | 10% | 0.097 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135.6 | -177 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | F54 Y59 Y72 M85 | F54-V65 HydrophobicContact CD1-CB 4.47Å; F54-V65 HydrophobicContact CD1-CG1 4.1Å; F54-V65 HydrophobicContact CE1-CB 4.39Å; F54-V65 HydrophobicContact CE1-CG1 4Å; Y59-V65 HydrophobicContact CD1-CG2 3.24Å; Y59-V65 HydrophobicContact CD2-CG2 4Å; Y59-V65 HydrophobicContact CE1-CB 4.29Å; Y59-V65 HydrophobicContact CE1-CG1 4.1Å; Y59-V65 HydrophobicContact CE1-CG2 3.18Å; Y59-V65 HydrophobicContact CE2-CG1 4.44Å; Y59-V65 HydrophobicContact CE2-CG2 3.96Å; Y59-V65 HydrophobicContact CG-CG2 3.65Å; V65-Y72 PolarHBondContact N-O 3.21Å; V65-Y72 PolarHBondContact O-N 2.98Å; V65-M85 HydrophobicContact CB-CE 3.77Å; V65-M85 HydrophobicContact CG2-CE 3.55Å |
| 66 | V | 96.8 | Very high | 95.1 | Very high | 91 Ų | 91 | 71.7 Ų | 71.7 | 55% | 0.552 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.8 | 172.7 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | I70 E71 L91 | V66-I70 WeakPolarHBondContact CA-O 3.46Å; V66-E71 HydrophobicContact CG2-CG 4.42Å; V66-L91 HydrophobicContact CB-CD1 4.24Å; V66-L91 HydrophobicContact CG1-CD1 3.43Å; V66-L91 VanDerWaalsContact CG1-CD1 3.43Å; V66-L91 HydrophobicContact CG2-CD1 3.76Å |
| 67 | H | 95.3 | Very high | 94.9 | Very high | 51 Ų | 51 | 64.8 Ų | 64.8 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 132 | 173.4 | -175 | 74.5 | 0 | 0 | 0 | 110.1 | F54 F55 H69 I70 Y72 | F54-H67 HydrophobicContact CE1-CB 4Å; F54-H67 HydrophobicContact CZ-CB 4.17Å; F55-H67 AromaticContact CE1-CE1 3.77Å; F55-H67 AromaticContact CE1-NE2 3.44Å; F55-H67 WeakPolarHBondContact CE1-NE2 2.99Å; F55-H67 HydrophobicContact CE2-CB 4.36Å; F55-H67 AromaticContact CE2-CD2 3.25Å; F55-H67 WeakPolarHBondContact CE2-CD2 3.48Å; F55-H67 AromaticContact CE2-CE1 3.93Å; F55-H67 AromaticContact CE2-CG 3.63Å; F55-H67 AromaticContact CE2-NE2 3.48Å; F55-H67 WeakPolarHBondContact CE2-NE2 3.35Å; F55-H67 AromaticContact CZ-CD2 3.27Å; F55-H67 WeakPolarHBondContact CZ-CD2 2.99Å; F55-H67 AromaticContact CZ-CE1 3.69Å; F55-H67 AromaticContact CZ-NE2 3.03Å; F55-H67 WeakPolarHBondContact CZ-NE2 3.24Å; H67-H69 VanDerWaalsContact C-N 3.3Å; H67-H69 PolarHBondContact O-N 3.41Å; H67-I70 PolarHBondContact N-O 3.25Å; H67-I70 PolarHBondContact O-N 3.3Å; H67-Y72 HydrophobicContact CB-CD2 4.37Å; H67-Y72 HydrophobicContact CB-CE2 3.97Å |
| 68 | N | 94.5 | Very high | 94.3 | Very high | 117 Ų | 117 | 66.6 Ų | 66.6 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 47.7 | -179.9 | -62.9 | -18.1 | 0 | 0 | 0 | 114.4 | I70 | N68-I70 PolarHBondContact O-N 3.39Š|
| 69 | H | 95.4 | Very high | 93.7 | Very high | 141 Ų | 141 | 71.2 Ų | 71.2 | 65% | 0.653 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 25.1 | -178.6 | -48.7 | -72.7 | 0 | 0 | 0 | 115.1 | H67 L91 | H67-H69 VanDerWaalsContact C-N 3.3Å; H67-H69 PolarHBondContact O-N 3.41Å; H69-L91 HydrophobicContact CB-CB 4.43Å; H69-L91 WeakPolarHBondContact O-CB 3.19Å; H69-L91 PolarHBondContact O-N 2.78Å |
| 70 | I | 95.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 71.3 Ų | 71.3 | 7% | 0.072 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133.7 | 174.1 | -57 | 153.5 | 0 | 0 | 0 | 107.5 | V66 H67 N68 Y72 P87 F89 M119 | V66-I70 WeakPolarHBondContact CA-O 3.46Å; H67-I70 PolarHBondContact N-O 3.25Å; H67-I70 PolarHBondContact O-N 3.3Å; N68-I70 PolarHBondContact O-N 3.39Å; I70-Y72 HydrophobicContact CB-CD2 4.3Å; I70-Y72 HydrophobicContact CB-CE2 3.56Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.49Å; I70-Y72 HydrophobicContact CG2-CD2 4.02Å; I70-Y72 HydrophobicContact CG2-CE1 4.15Å; I70-Y72 HydrophobicContact CG2-CE2 3.53Å; I70-Y72 WeakPolarHBondContact O-CD2 3.46Å; I70-P87 HydrophobicContact CG2-CB 3.73Å; I70-F89 WeakPolarHBondContact CA-O 3.38Å; I70-M119 WeakPolarHBondContact CD1-O 3.45Å; I70-M119 HydrophobicContact CG2-CB 4.17Å; I70-M119 HydrophobicContact CG2-SD 4.28Å |
| 71 | E | 96.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 70.6 Ų | 70.6 | 4% | 0.042 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 128 | 169.5 | -169.5 | 173.9 | -163.9 | 0 | 0 | 109 | K64 V66 I88 F89 L91 R96 | K64-E71 VanDerWaalsContact CD-OE1 3.3Å; K64-E71 WeakPolarHBondContact CD-OE1 3.01Å; V66-E71 HydrophobicContact CG2-CG 4.42Å; E71-I88 HydrophobicContact CB-CG1 4.17Å; E71-I88 HydrophobicContact CG-CD1 4.02Å; E71-I88 HydrophobicContact CG-CG1 4.08Å; E71-I88 WeakPolarHBondContact O-CG1 3.1Å; E71-I88 PolarHBondContact O-N 3.13Å; E71-F89 HydrophobicContact CB-CB 4.24Å; E71-F89 PolarHBondContact N-O 3.08Å; E71-F89 PolarHBondContact O-N 3.43Å; E71-F89 VanDerWaalsContact OE2-CD2 3.3Å; E71-F89 WeakPolarHBondContact OE2-CD2 3.18Å; E71-L91 HydrophobicContact CB-CD2 4.33Å; E71-R96 IonicContact OE1-CZ 3.05Å; E71-R96 IonicContact OE1-NE 3.47Å; E71-R96 IonicContact OE1-NH2 2.6Å; E71-R96 PolarHBondContact OE1-NH2 2.04Å; E71-R96 IonicContact OE2-CZ 2.83Å; E71-R96 VanDerWaalsContact OE2-CZ 3.22Å; E71-R96 IonicContact OE2-NE 3.22Å; E71-R96 PolarHBondContact OE2-NE 2.79Å; E71-R96 IonicContact OE2-NH2 2.95Å; E71-R96 PolarHBondContact OE2-NH2 3.48Å |
| 72 | Y | 95.7 | Very high | 92.5 | Very high | 21 Ų | 21 | 70.9 Ų | 70.9 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 148.6 | 177.9 | -63 | -97.2 | 0 | 0 | 0 | 109.8 | F54 K64 V65 H67 I70 M85 V86 P87 | F54-Y72 HydrophobicContact CE1-CD2 4.07Å; F54-Y72 HydrophobicContact CE1-CE2 4.44Å; F54-Y72 HydrophobicContact CE1-CG 4.31Å; F54-Y72 HydrophobicContact CE2-CD1 4.13Å; F54-Y72 HydrophobicContact CE2-CE1 4.17Å; F54-Y72 HydrophobicContact CE2-CG 4.33Å; F54-Y72 AromaticContact CZ-CD1 3.95Å; F54-Y72 HydrophobicContact CZ-CD1 3.95Å; F54-Y72 AromaticContact CZ-CD2 3.6Å; F54-Y72 HydrophobicContact CZ-CD2 3.6Å; F54-Y72 HydrophobicContact CZ-CE1 4.03Å; F54-Y72 AromaticContact CZ-CE2 3.68Å; F54-Y72 HydrophobicContact CZ-CE2 3.68Å; F54-Y72 AromaticContact CZ-CG 3.74Å; F54-Y72 HydrophobicContact CZ-CG 3.74Å; F54-Y72 AromaticContact CZ-CZ 3.9Å; K64-Y72 VanDerWaalsContact CA-O 3.27Å; K64-Y72 WeakPolarHBondContact CA-O 3.28Å; V65-Y72 PolarHBondContact N-O 3.21Å; V65-Y72 PolarHBondContact O-N 2.98Å; H67-Y72 HydrophobicContact CB-CD2 4.37Å; H67-Y72 HydrophobicContact CB-CE2 3.97Å; I70-Y72 HydrophobicContact CB-CD2 4.3Å; I70-Y72 HydrophobicContact CB-CE2 3.56Å; I70-Y72 WeakPolarHBondContact CD1-OH 3.49Å; I70-Y72 HydrophobicContact CG2-CD2 4.02Å; I70-Y72 HydrophobicContact CG2-CE1 4.15Å; I70-Y72 HydrophobicContact CG2-CE2 3.53Å; I70-Y72 WeakPolarHBondContact O-CD2 3.46Å; Y72-M85 HydrophobicContact CD1-CB 4.49Å; Y72-V86 CarbonylContact C-O 3.28Å; Y72-V86 VanDerWaalsContact CA-O 3.26Å; Y72-V86 WeakPolarHBondContact CA-O 3.39Å; Y72-P87 HydrophobicContact CD1-CB 3.96Å; Y72-P87 HydrophobicContact CE1-CB 3.82Å; Y72-P87 HydrophobicContact CE1-CG 4.48Å |
| 73 | L | 95.8 | Very high | 92.3 | Very high | 36 Ų | 36 | 67.6 Ų | 67.6 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.3 | 173.2 | 179 | 66.6 | 0 | 0 | 0 | 109.5 | N62 K64 T75 V86 I88 | N62-L73 WeakPolarHBondContact O-CD1 3.03Å; K64-L73 HydrophobicContact CG-CD1 3.9Å; L73-T75 PolarHBondContact O-N 3.37Å; L73-V86 HydrophobicContact CB-CG2 4.21Å; L73-V86 PolarHBondContact N-O 3.5Å; L73-V86 PolarHBondContact O-N 3.16Å; L73-I88 HydrophobicContact CB-CD1 4.05Å; L73-I88 HydrophobicContact CB-CG1 4.36Å; L73-I88 HydrophobicContact CB-CG2 3.74Å; L73-I88 HydrophobicContact CD2-CG2 4.41Å |
| 74 | C | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 112.1 | 167.1 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | C52 S60 N62 D63 M85 | C52-C74 HydrophobicContact CB-CB 3.73Å; C52-C74 WeakPolarHBondContact CB-SG 3.37Å; C52-C74 PolarHBondContact N-SG 3.32Å; C52-C74 WeakPolarHBondContact SG-CA 3.16Å; C52-C74 WeakPolarHBondContact SG-CB 2.86Å; C52-C74 CovalentContact SG-SG 2.02Å; C52-C74 PolarHBondContact SG-SG 3.49Å; S60-C74 VanDerWaalsContact O-CB 3.28Å; S60-C74 WeakPolarHBondContact O-CB 3.38Å; S60-C74 PolarHBondContact O-SG 3.26Å; S60-C74 VanDerWaalsContact O-SG 3.35Å; N62-C74 WeakPolarHBondContact CA-O 3.19Å; N62-C74 PolarHBondContact N-O 2.98Å; D63-C74 PolarHBondContact O-N 2.7Å; C74-M85 VanDerWaalsContact CA-SD 3.58Å; C74-M85 HydrophobicContact CB-SD 3.63Å |
| 75 | T | 94.1 | Very high | 91.9 | Very high | 36 Ų | 36 | 62.3 Ų | 62.3 | 22% | 0.221 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 166.2 | -177.9 | -167.4 | 0 | 0 | 0 | 0 | 112 | L73 V83 T84 V86 | L73-T75 PolarHBondContact O-N 3.37Å; T75-V83 CarbonylContact O-C 3.54Å; T75-V83 VanDerWaalsContact O-CA 3.27Å; T75-V83 WeakPolarHBondContact O-CA 3.49Å; T75-T84 PolarHBondContact N-O 2.99Å; T75-T84 PolarHBondContact O-N 3.22Å; T75-T84 VanDerWaalsContact O-O 3.1Å; T75-V86 HydrophobicContact CG2-CB 4.35Å; T75-V86 HydrophobicContact CG2-CG1 3.8Å; T75-V86 HydrophobicContact CG2-CG2 3.57Å |
| 76 | F | 89.7 | Confident | 91.7 | Very high | 52 Ų | 52 | 63.9 Ų | 63.9 | 23% | 0.228 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.4 | 178 | -174.6 | -95.3 | 0 | 0 | 0 | 110.5 | V43 Y61 K78 V83 | V43-F76 HydrophobicContact CG2-CZ 4.27Å; Y61-F76 HydrophobicContact CE2-CB 4.22Å; F76-K78 HydrophobicContact CD1-CG 4.19Å; F76-K78 HydrophobicContact CE1-CG 4.26Å; F76-V83 HydrophobicContact CB-CG1 4.37Å; F76-V83 HydrophobicContact CD2-CG1 4.24Å |
| 77 | S | 88.3 | Confident | 91.6 | Very high | 31 Ų | 31 | 61 Ų | 61 | 22% | 0.217 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 112.5 | 169.7 | 174.3 | 0 | 0 | 0 | 0 | 109.4 | E79 A80 C81 K82 | S77-E79 PolarHBondContact O-N 3.06Å; S77-E79 PolarHBondContact OG-N 2.91Å; S77-A80 PolarHBondContact O-N 3.35Å; S77-A80 PolarHBondContact OG-N 2.79Å; S77-C81 WeakPolarHBondContact O-CA 3.09Å; S77-C81 PolarHBondContact O-N 2.77Å; S77-K82 PolarHBondContact N-O 3.15Å; S77-K82 PolarHBondContact O-N 3.27Å |
| 78 | K | 85.1 | Confident | 91.5 | Very high | 175 Ų | 175 | 60.2 Ų | 60.2 | 76% | 0.761 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -31.9 | 173.8 | -66.7 | -175.4 | -179.9 | -178.7 | 0 | 112.2 | C40 F76 | C40-K78 PolarHBondContact SG-O 3.28Å; F76-K78 HydrophobicContact CD1-CG 4.19Å; F76-K78 HydrophobicContact CE1-CG 4.26Å |
| 79 | E | 81.7 | Confident | 91.6 | Very high | 193 Ų | 193 | 56.6 Ų | 56.6 | 90% | 0.902 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -36.8 | 179.9 | -64.7 | 178.5 | 179.9 | 0 | 0 | 111.8 | S77 | S77-E79 PolarHBondContact O-N 3.06Å; S77-E79 PolarHBondContact OG-N 2.91Å |
| 80 | A | 84.5 | Confident | 91.7 | Very high | 49 Ų | 49 | 50 Ų | 50 | 41% | 0.405 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S77 K82 | S77-A80 PolarHBondContact O-N 3.35Å; S77-A80 PolarHBondContact OG-N 2.79Å; A80-K82 HydrophobicContact CB-CD 4.27Å; A80-K82 HydrophobicContact CB-CG 3.85Å; A80-K82 WeakPolarHBondContact O-CG 3.46Å; A80-K82 PolarHBondContact O-N 2.78Å; A80-K82 VanDerWaalsContact O-N 3.08Å |
| 81 | C | 84.2 | Confident | 91.7 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 41% | 0.405 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41 | 40.4 | -170.7 | -54.4 | 0 | 0 | 0 | 0 | 113.8 | C40 S77 | C40-C81 HydrophobicContact CB-CB 3.98Å; C40-C81 WeakPolarHBondContact CB-SG 3.44Å; C40-C81 VanDerWaalsContact SG-CA 3.55Å; C40-C81 WeakPolarHBondContact SG-CB 3.4Å; C40-C81 CovalentContact SG-SG 2.03Å; C40-C81 PolarHBondContact SG-SG 2.89Å; S77-C81 WeakPolarHBondContact O-CA 3.09Å; S77-C81 PolarHBondContact O-N 2.77Å |
| 82 | K | 88.5 | Confident | 91.7 | Very high | 125 Ų | 125 | 53.1 Ų | 53.1 | 54% | 0.543 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 159.3 | -177.1 | 71.7 | -176.1 | -178.9 | -177.6 | 0 | 112.7 | S77 A80 | S77-K82 PolarHBondContact N-O 3.15Å; S77-K82 PolarHBondContact O-N 3.27Å; A80-K82 HydrophobicContact CB-CD 4.27Å; A80-K82 HydrophobicContact CB-CG 3.85Å; A80-K82 WeakPolarHBondContact O-CG 3.46Å; A80-K82 PolarHBondContact O-N 2.78Å; A80-K82 VanDerWaalsContact O-N 3.08Å |
| 83 | V | 90.6 | Very high | 91.6 | Very high | 21 Ų | 21 | 55.4 Ų | 55.4 | 13% | 0.127 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 140.3 | 167.8 | -78.1 | 0 | 0 | 0 | 0 | 111.9 | V49 G51 Y61 T75 F76 | V49-V83 HydrophobicContact CG1-CB 3.92Å; V49-V83 HydrophobicContact CG1-CG1 3.16Å; V49-V83 HydrophobicContact CG1-CG2 3.51Å; G51-V83 WeakPolarHBondContact O-CG2 3.4Å; Y61-V83 HydrophobicContact CD2-CG1 4.28Å; T75-V83 CarbonylContact O-C 3.54Å; T75-V83 VanDerWaalsContact O-CA 3.27Å; T75-V83 WeakPolarHBondContact O-CA 3.49Å; F76-V83 HydrophobicContact CB-CG1 4.37Å; F76-V83 HydrophobicContact CD2-CG1 4.24Å |
| 84 | T | 92.4 | Very high | 91.6 | Very high | 47 Ų | 47 | 63.2 Ų | 63.2 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 150.1 | -176.6 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | C52 T75 V86 | C52-T84 PolarHBondContact SG-N 2.05Å; C52-T84 VanDerWaalsContact SG-N 3.44Å; C52-T84 PolarHBondContact SG-O 2.75Å; C52-T84 VanDerWaalsContact SG-O 3.32Å; T75-T84 PolarHBondContact N-O 2.99Å; T75-T84 PolarHBondContact O-N 3.22Å; T75-T84 VanDerWaalsContact O-O 3.1Å; T84-V86 HydrophobicContact CG2-CG1 3.94Å |
| 85 | M | 93.7 | Very high | 91.6 | Very high | 24 Ų | 24 | 67.4 Ų | 67.4 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 120.7 | 171.1 | -70 | -58.9 | -94.4 | 0 | 0 | 109.5 | C52 F54 Y59 V65 Y72 C74 | C52-M85 HydrophobicContact CB-CG 3.68Å; C52-M85 HydrophobicContact CB-SD 3.55Å; C52-M85 VanDerWaalsContact CB-SD 3.55Å; F54-M85 HydrophobicContact CB-CE 4.2Å; F54-M85 HydrophobicContact CB-CG 3.68Å; F54-M85 HydrophobicContact CD1-CE 3.72Å; F54-M85 HydrophobicContact CD1-CG 4.48Å; F54-M85 HydrophobicContact CD2-CB 3.92Å; F54-M85 HydrophobicContact CD2-CE 4.44Å; F54-M85 HydrophobicContact CD2-CG 3.65Å; F54-M85 HydrophobicContact CE1-CE 4.13Å; F54-M85 HydrophobicContact CE2-CB 4.24Å; F54-M85 HydrophobicContact CE2-CG 4.35Å; F54-M85 HydrophobicContact CG-CB 4.47Å; F54-M85 HydrophobicContact CG-CE 3.9Å; F54-M85 HydrophobicContact CG-CG 3.72Å; Y59-M85 HydrophobicContact CD2-CE 4.34Å; V65-M85 HydrophobicContact CB-CE 3.77Å; V65-M85 HydrophobicContact CG2-CE 3.55Å; Y72-M85 HydrophobicContact CD1-CB 4.49Å; C74-M85 VanDerWaalsContact CA-SD 3.58Å; C74-M85 HydrophobicContact CB-SD 3.63Å |
| 86 | V | 91.9 | Very high | 91.8 | Very high | 48 Ų | 48 | 72.3 Ų | 72.3 | 29% | 0.291 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.5 | 173.7 | -59.2 | 0 | 0 | 0 | 0 | 109.9 | Y72 L73 T75 T84 I88 | Y72-V86 CarbonylContact C-O 3.28Å; Y72-V86 VanDerWaalsContact CA-O 3.26Å; Y72-V86 WeakPolarHBondContact CA-O 3.39Å; L73-V86 HydrophobicContact CB-CG2 4.21Å; L73-V86 PolarHBondContact N-O 3.5Å; L73-V86 PolarHBondContact O-N 3.16Å; T75-V86 HydrophobicContact CG2-CB 4.35Å; T75-V86 HydrophobicContact CG2-CG1 3.8Å; T75-V86 HydrophobicContact CG2-CG2 3.57Å; T84-V86 HydrophobicContact CG2-CG1 3.94Å; V86-I88 HydrophobicContact CG2-CG2 4Å |
| 87 | P | 93.9 | Very high | 92 | Very high | 32 Ų | 32 | 70.4 Ų | 70.4 | 21% | 0.208 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 133.4 | 171.2 | 30.7 | -34.1 | 0 | 0 | 0 | 109.3 | I70 Y72 M119 | I70-P87 HydrophobicContact CG2-CB 3.73Å; Y72-P87 HydrophobicContact CD1-CB 3.96Å; Y72-P87 HydrophobicContact CE1-CB 3.82Å; Y72-P87 HydrophobicContact CE1-CG 4.48Å; P87-M119 HydrophobicContact CB-CB 3.66Å; P87-M119 HydrophobicContact CB-CE 3.62Å; P87-M119 HydrophobicContact CB-CG 4.39Å; P87-M119 HydrophobicContact CB-SD 3.88Å; P87-M119 HydrophobicContact CG-CB 4Å; P87-M119 HydrophobicContact CG-CE 3.85Å; P87-M119 VanDerWaalsContact O-CE 3.23Å; P87-M119 WeakPolarHBondContact O-CE 3.26Å |
| 88 | I | 94.6 | Very high | 92.3 | Very high | 33 Ų | 33 | 73.7 Ų | 73.7 | 17% | 0.169 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -31 | -175.8 | 55.7 | 162.8 | 0 | 0 | 0 | 113.8 | K64 E71 L73 V86 P99 | K64-I88 HydrophobicContact CD-CD1 4.41Å; E71-I88 HydrophobicContact CB-CG1 4.17Å; E71-I88 HydrophobicContact CG-CD1 4.02Å; E71-I88 HydrophobicContact CG-CG1 4.08Å; E71-I88 WeakPolarHBondContact O-CG1 3.1Å; E71-I88 PolarHBondContact O-N 3.13Å; L73-I88 HydrophobicContact CB-CD1 4.05Å; L73-I88 HydrophobicContact CB-CG1 4.36Å; L73-I88 HydrophobicContact CB-CG2 3.74Å; L73-I88 HydrophobicContact CD2-CG2 4.41Å; V86-I88 HydrophobicContact CG2-CG2 4Å; I88-P99 WeakPolarHBondContact O-CD 3.43Å |
| 89 | F | 96.4 | Very high | 92.6 | Very high | 42 Ų | 42 | 67.2 Ų | 67.2 | 18% | 0.184 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 146.5 | 177.5 | -61.8 | -71.5 | 0 | 0 | 0 | 111.3 | I70 E71 R96 E98 | I70-F89 WeakPolarHBondContact CA-O 3.38Å; E71-F89 HydrophobicContact CB-CB 4.24Å; E71-F89 PolarHBondContact N-O 3.08Å; E71-F89 PolarHBondContact O-N 3.43Å; E71-F89 VanDerWaalsContact OE2-CD2 3.3Å; E71-F89 WeakPolarHBondContact OE2-CD2 3.18Å; F89-R96 HydrophobicContact CB-CB 4.32Å; F89-R96 HydrophobicContact CB-CG 4.43Å; F89-R96 HydrophobicContact CD1-CB 4.22Å; F89-R96 HydrophobicContact CD2-CG 4.49Å; F89-R96 HydrophobicContact CG-CB 4.16Å; F89-R96 HydrophobicContact CG-CG 4.36Å; F89-E98 HydrophobicContact CD1-CB 4.41Å; F89-E98 HydrophobicContact CD1-CG 4.25Å; F89-E98 HydrophobicContact CE1-CB 4.34Å; F89-E98 HydrophobicContact CE1-CG 3.88Å |
| 90 | C | 96.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 147.1 | 157 | -61.9 | 0 | 0 | 0 | 0 | 109.5 | I97 C112 G120 I121 | C90-I97 HydrophobicContact CB-CB 4.28Å; C90-I97 PolarHBondContact N-O 3.4Å; C90-I97 PolarHBondContact O-N 3.11Å; C90-C112 HydrophobicContact CB-CB 3.68Å; C90-C112 WeakPolarHBondContact CB-SG 3.2Å; C90-C112 PolarHBondContact N-SG 2.92Å; C90-C112 VanDerWaalsContact N-SG 3.36Å; C90-C112 WeakPolarHBondContact SG-CA 3.46Å; C90-C112 WeakPolarHBondContact SG-CB 3.41Å; C90-C112 CovalentContact SG-SG 2.03Å; C90-C112 PolarHBondContact SG-SG 3.43Å; C90-G120 VanDerWaalsContact SG-C 3.53Å; C90-I121 HydrophobicContact CB-CD1 4.06Å; C90-I121 HydrophobicContact CB-CG1 3.59Å |
| 91 | L | 96.7 | Very high | 93.2 | Very high | 23 Ų | 23 | 59 Ų | 59 | 12% | 0.12 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 128.7 | 178.1 | -55.5 | 179.2 | 0 | 0 | 0 | 110.4 | V66 H69 E71 T95 R96 | V66-L91 HydrophobicContact CB-CD1 4.24Å; V66-L91 HydrophobicContact CG1-CD1 3.43Å; V66-L91 VanDerWaalsContact CG1-CD1 3.43Å; V66-L91 HydrophobicContact CG2-CD1 3.76Å; H69-L91 HydrophobicContact CB-CB 4.43Å; H69-L91 WeakPolarHBondContact O-CB 3.19Å; H69-L91 PolarHBondContact O-N 2.78Å; E71-L91 HydrophobicContact CB-CD2 4.33Å; L91-T95 WeakPolarHBondContact CA-O 3.46Å; L91-R96 HydrophobicContact CD2-CG 3.77Å |
| 92 | L | 95.6 | Very high | 93.5 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 35% | 0.346 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 93.9 | 170.4 | -173.7 | 65.7 | 0 | 0 | 0 | 108.5 | E94 T95 I97 F103 M105 I121 | L92-E94 PolarHBondContact O-N 3.32Å; L92-T95 PolarHBondContact N-O 3.12Å; L92-T95 WeakPolarHBondContact O-CB 3.3Å; L92-T95 PolarHBondContact O-N 2.88Å; L92-I97 HydrophobicContact CB-CD1 3.82Å; L92-I97 HydrophobicContact CD2-CD1 4.29Å; L92-F103 HydrophobicContact CD2-CD2 4.32Å; L92-F103 HydrophobicContact CD2-CE2 3.56Å; L92-F103 HydrophobicContact CD2-CZ 3.93Å; L92-M105 HydrophobicContact CD2-SD 4.47Å; L92-I121 HydrophobicContact CB-CD1 4.08Å; L92-I121 HydrophobicContact CD1-CD1 4.34Å |
| 93 | G | 94.8 | Very high | 93.8 | Very high | 69 Ų | 69 | 53 Ų | 53 | 71% | 0.711 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | -122.1 | -165.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 94 | E | 95.4 | Very high | 94 | Very high | 201 Ų | 201 | 54.3 Ų | 54.3 | 94% | 0.939 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -6.8 | 175.9 | -60.3 | -177.5 | 170.6 | 0 | 0 | 113 | L92 | L92-E94 PolarHBondContact O-N 3.32Š|
| 95 | T | 95.7 | Very high | 94.1 | Very high | 87 Ų | 87 | 56 Ų | 56 | 53% | 0.534 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 126.2 | -176.9 | -56.7 | 0 | 0 | 0 | 0 | 110.4 | L91 L92 I97 | L91-T95 WeakPolarHBondContact CA-O 3.46Å; L92-T95 PolarHBondContact N-O 3.12Å; L92-T95 WeakPolarHBondContact O-CB 3.3Å; L92-T95 PolarHBondContact O-N 2.88Å; T95-I97 HydrophobicContact CG2-CG1 4.34Å |
| 96 | R | 96.9 | Very high | 94.1 | Very high | 140 Ų | 140 | 58 Ų | 58 | 53% | 0.528 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 132.8 | 169.2 | -71.6 | 176.9 | 169.2 | 156.8 | 1.3 | 110.1 | E71 F89 L91 | E71-R96 IonicContact OE1-CZ 3.05Å; E71-R96 IonicContact OE1-NE 3.47Å; E71-R96 IonicContact OE1-NH2 2.6Å; E71-R96 PolarHBondContact OE1-NH2 2.04Å; E71-R96 IonicContact OE2-CZ 2.83Å; E71-R96 VanDerWaalsContact OE2-CZ 3.22Å; E71-R96 IonicContact OE2-NE 3.22Å; E71-R96 PolarHBondContact OE2-NE 2.79Å; E71-R96 IonicContact OE2-NH2 2.95Å; E71-R96 PolarHBondContact OE2-NH2 3.48Å; F89-R96 HydrophobicContact CB-CB 4.32Å; F89-R96 HydrophobicContact CB-CG 4.43Å; F89-R96 HydrophobicContact CD1-CB 4.22Å; F89-R96 HydrophobicContact CD2-CG 4.49Å; F89-R96 HydrophobicContact CG-CB 4.16Å; F89-R96 HydrophobicContact CG-CG 4.36Å; L91-R96 HydrophobicContact CD2-CG 3.77Å |
| 97 | I | 95.3 | Very high | 94.2 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 118.5 | 179.7 | -49.6 | -176.5 | 0 | 0 | 0 | 107.6 | C90 L92 T95 V101 F103 C112 I121 | C90-I97 HydrophobicContact CB-CB 4.28Å; C90-I97 PolarHBondContact N-O 3.4Å; C90-I97 PolarHBondContact O-N 3.11Å; L92-I97 HydrophobicContact CB-CD1 3.82Å; L92-I97 HydrophobicContact CD2-CD1 4.29Å; T95-I97 HydrophobicContact CG2-CG1 4.34Å; I97-V101 HydrophobicContact CG2-CB 4.15Å; I97-V101 HydrophobicContact CG2-CG1 4.28Å; I97-F103 HydrophobicContact CD1-CD1 3.7Å; I97-F103 HydrophobicContact CD1-CE1 3.24Å; I97-F103 HydrophobicContact CD1-CE2 4.36Å; I97-F103 HydrophobicContact CD1-CG 4.42Å; I97-F103 HydrophobicContact CD1-CZ 3.61Å; I97-F103 HydrophobicContact CG2-CD1 4.14Å; I97-F103 HydrophobicContact CG2-CE1 4.18Å; I97-C112 HydrophobicContact CB-CB 4.36Å; I97-C112 HydrophobicContact CG2-CB 3.88Å; I97-I121 HydrophobicContact CD1-CD1 4.14Å |
| 98 | E | 94.1 | Very high | 94.3 | Very high | 100 Ų | 100 | 59.4 Ų | 59.4 | 47% | 0.467 | 34% | 0.337 | S | S | . | . | trans | -68.1 | 150.4 | 178.9 | -36.2 | -162.3 | 141.5 | 0 | 0 | 110.7 | F89 G100 V101 C112 | F89-E98 HydrophobicContact CD1-CB 4.41Å; F89-E98 HydrophobicContact CD1-CG 4.25Å; F89-E98 HydrophobicContact CE1-CB 4.34Å; F89-E98 HydrophobicContact CE1-CG 3.88Å; E98-G100 PolarHBondContact O-N 2.78Å; E98-V101 HydrophobicContact CB-CB 4.45Å; E98-V101 HydrophobicContact CB-CG2 3.75Å; E98-V101 HydrophobicContact CG-CG2 4.19Å; E98-V101 VanDerWaalsContact O-CB 3.31Å; E98-V101 WeakPolarHBondContact O-CB 3.34Å; E98-V101 PolarHBondContact O-N 3.47Å; E98-C112 WeakPolarHBondContact O-CB 3.37Å | ||
| 99 | P | 91.1 | Very high | 94.4 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 25% | 0.253 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 140.8 | 172.8 | -26.2 | 38.1 | 0 | 0 | 0 | 110.7 | I88 V101 C112 V114 M119 Y270 | I88-P99 WeakPolarHBondContact O-CD 3.43Å; P99-V101 PolarHBondContact O-N 2.75Å; P99-V101 VanDerWaalsContact O-N 3.09Å; P99-C112 CarbonylContact C-O 3.59Å; P99-C112 WeakPolarHBondContact CA-O 3.36Å; P99-V114 HydrophobicContact CB-CG2 3.95Å; P99-V114 HydrophobicContact CG-CG2 4.45Å; P99-M119 HydrophobicContact CB-CE 4.15Å; P99-M119 HydrophobicContact CG-CE 3.34Å; P99-M119 HydrophobicContact CG-SD 4.08Å; P99-Y270 WeakPolarHBondContact O-CE1 3.01Å |
| 100 | G | 88.3 | Confident | 94.4 | Very high | 12 Ų | 12 | 60.2 Ų | 60.2 | 12% | 0.124 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | -17.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | E98 G102 M111 C112 | E98-G100 PolarHBondContact O-N 2.78Å; G100-G102 PolarHBondContact O-N 3.25Å; G100-M111 VanDerWaalsContact O-SD 3.39Å; G100-C112 PolarHBondContact N-O 3.48Å |
| 101 | V | 91 | Very high | 94.3 | Very high | 58 Ų | 58 | 60.4 Ų | 60.4 | 35% | 0.352 | 34% | 0.338 | S | S | . | . | trans | -73.1 | 127.6 | 174.3 | 177.7 | 0 | 0 | 0 | 0 | 109.2 | I97 E98 P99 M111 C112 | I97-V101 HydrophobicContact CG2-CB 4.15Å; I97-V101 HydrophobicContact CG2-CG1 4.28Å; E98-V101 HydrophobicContact CB-CB 4.45Å; E98-V101 HydrophobicContact CB-CG2 3.75Å; E98-V101 HydrophobicContact CG-CG2 4.19Å; E98-V101 VanDerWaalsContact O-CB 3.31Å; E98-V101 WeakPolarHBondContact O-CB 3.34Å; E98-V101 PolarHBondContact O-N 3.47Å; P99-V101 PolarHBondContact O-N 2.75Å; P99-V101 VanDerWaalsContact O-N 3.09Å; V101-M111 WeakPolarHBondContact O-CA 2.95Å; V101-C112 PolarHBondContact O-N 2.05Å | ||
| 102 | G | 90.7 | Very high | 94.1 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 22% | 0.216 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 160.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G100 Y109 Y110 | G100-G102 PolarHBondContact O-N 3.25Å; G102-Y109 WeakPolarHBondContact CA-OH 3.47Å; G102-Y110 CarbonylContact C-O 3.54Å; G102-Y110 WeakPolarHBondContact CA-O 3.34Å |
| 103 | F | 94.5 | Very high | 93.9 | Very high | 39 Ų | 39 | 56.4 Ų | 56.4 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 155.6 | -178.6 | 61.1 | -81.9 | 0 | 0 | 0 | 110.3 | L92 I97 M105 Y110 I121 | L92-F103 HydrophobicContact CD2-CD2 4.32Å; L92-F103 HydrophobicContact CD2-CE2 3.56Å; L92-F103 HydrophobicContact CD2-CZ 3.93Å; I97-F103 HydrophobicContact CD1-CD1 3.7Å; I97-F103 HydrophobicContact CD1-CE1 3.24Å; I97-F103 HydrophobicContact CD1-CE2 4.36Å; I97-F103 HydrophobicContact CD1-CG 4.42Å; I97-F103 HydrophobicContact CD1-CZ 3.61Å; I97-F103 HydrophobicContact CG2-CD1 4.14Å; I97-F103 HydrophobicContact CG2-CE1 4.18Å; F103-M105 HydrophobicContact CD2-CB 4.42Å; F103-M105 HydrophobicContact CE2-CB 4.26Å; F103-M105 HydrophobicContact CE2-CE 4.5Å; F103-Y110 HydrophobicContact CE2-CD2 4.36Å; F103-Y110 HydrophobicContact CE2-CG 4.26Å; F103-Y110 VanDerWaalsContact CZ-CB 3.48Å; F103-Y110 HydrophobicContact CZ-CG 4.23Å; F103-Y110 PolarHBondContact N-O 2.78Å; F103-Y110 PolarHBondContact O-N 3.39Å; F103-I121 HydrophobicContact CE1-CG2 4.11Å; F103-I121 HydrophobicContact CZ-CD1 4.22Å; F103-I121 HydrophobicContact CZ-CG2 3.64Å |
| 104 | V | 95.2 | Very high | 93.5 | Very high | 47 Ų | 47 | 55 Ų | 55 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.7 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 110 | G106 Y109 | V104-G106 WeakPolarHBondContact CG1-O 3.32Å; V104-Y109 HydrophobicContact CG2-CD2 3.59Å; V104-Y109 HydrophobicContact CG2-CE2 4.22Å |
| 105 | M | 93.7 | Very high | 92.8 | Very high | 82 Ų | 82 | 48.7 Ų | 48.7 | 40% | 0.404 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 109.2 | 170.6 | -178.7 | 173.8 | 54.9 | 0 | 0 | 108.5 | L92 F103 K107 L108 Y110 | L92-M105 HydrophobicContact CD2-SD 4.47Å; F103-M105 HydrophobicContact CD2-CB 4.42Å; F103-M105 HydrophobicContact CE2-CB 4.26Å; F103-M105 HydrophobicContact CE2-CE 4.5Å; M105-K107 PolarHBondContact O-N 2.8Å; M105-L108 PolarHBondContact N-O 2.96Å; M105-L108 PolarHBondContact O-N 2.79Å; M105-Y110 HydrophobicContact CB-CD2 3.8Å; M105-Y110 HydrophobicContact CB-CE2 3.76Å; M105-Y110 HydrophobicContact CE-CD1 4.41Å; M105-Y110 HydrophobicContact CE-CD2 3.84Å; M105-Y110 HydrophobicContact CE-CE1 4.08Å; M105-Y110 HydrophobicContact CE-CE2 3.45Å; M105-Y110 VanDerWaalsContact CE-CE2 3.45Å; M105-Y110 HydrophobicContact CE-CG 4.29Å; M105-Y110 HydrophobicContact CG-CE2 4.46Å |
| 106 | G | 93.6 | Very high | 92 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 70% | 0.701 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -129.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V104 L108 | V104-G106 WeakPolarHBondContact CG1-O 3.32Å; G106-L108 VanDerWaalsContact C-N 3.35Å |
| 107 | K | 94.5 | Very high | 90.9 | Very high | 76 Ų | 76 | 49 Ų | 49 | 33% | 0.33 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 2.7 | -179.8 | -63 | 175.7 | -177 | 162.5 | 0 | 113.6 | M105 C126 G127 Y140 F147 A158 E187 | M105-K107 PolarHBondContact O-N 2.8Å; K107-C126 CarbonylContact O-C 3.51Å; K107-C126 WeakPolarHBondContact O-CA 3.33Å; K107-C126 WeakPolarHBondContact O-CB 3.37Å; K107-G127 PolarHBondContact O-N 2.82Å; K107-Y140 PolarHBondContact O-OH 2.78Å; K107-F147 HydrophobicContact CD-CD1 4.14Å; K107-F147 HydrophobicContact CD-CE1 3.76Å; K107-F147 HydrophobicContact CD-CZ 4.05Å; K107-F147 VanDerWaalsContact CE-CE1 3.46Å; K107-F147 VanDerWaalsContact NZ-CE1 3.27Å; K107-A158 HydrophobicContact CB-CB 3.54Å; K107-A158 HydrophobicContact CD-CB 3.97Å; K107-A158 HydrophobicContact CG-CB 4.36Å; K107-E187 IonicContact NZ-OE1 2.67Å; K107-E187 PolarHBondContact NZ-OE1 2.84Å |
| 108 | L | 96.3 | Very high | 90.2 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 145.5 | -173.5 | -63 | -179 | 0 | 0 | 0 | 110.7 | M105 G106 Y110 A123 M156 | M105-L108 PolarHBondContact N-O 2.96Å; M105-L108 PolarHBondContact O-N 2.79Å; G106-L108 VanDerWaalsContact C-N 3.35Å; L108-Y110 HydrophobicContact CB-CD2 4.21Å; L108-Y110 HydrophobicContact CB-CE2 3.52Å; L108-Y110 WeakPolarHBondContact CD1-OH 2.99Å; L108-A123 HydrophobicContact CD1-CB 4.43Å; L108-M156 HydrophobicContact CD2-CB 4.14Å |
| 109 | Y | 96.2 | Very high | 90.1 | Very high | 42 Ų | 42 | 49 Ų | 49 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 119.9 | 173 | -169 | -80.7 | 0 | 0 | 0 | 108.6 | G102 V104 A123 I124 G125 C126 G131 R133 | G102-Y109 WeakPolarHBondContact CA-OH 3.47Å; V104-Y109 HydrophobicContact CG2-CD2 3.59Å; V104-Y109 HydrophobicContact CG2-CE2 4.22Å; Y109-A123 WeakPolarHBondContact O-CA 3.24Å; Y109-I124 HydrophobicContact CD1-CD1 3.93Å; Y109-I124 HydrophobicContact CD1-CG1 3.73Å; Y109-I124 HydrophobicContact CE1-CD1 4Å; Y109-I124 HydrophobicContact CE1-CG1 4.3Å; Y109-I124 PolarHBondContact O-N 3.1Å; Y109-G125 PolarHBondContact N-O 2.81Å; Y109-G125 PolarHBondContact O-N 3.34Å; Y109-C126 WeakPolarHBondContact CB-O 3.3Å; Y109-G131 WeakPolarHBondContact CE2-O 3.37Å; Y109-R133 HydrophobicContact CD1-CB 3.97Å; Y109-R133 HydrophobicContact CD1-CG 3.88Å; Y109-R133 HydrophobicContact CD2-CB 3.64Å; Y109-R133 HydrophobicContact CD2-CG 4.28Å; Y109-R133 HydrophobicContact CE1-CB 4.07Å; Y109-R133 HydrophobicContact CE1-CG 4.31Å; Y109-R133 HydrophobicContact CE2-CB 3.78Å; Y109-R133 HydrophobicContact CG-CB 3.74Å; Y109-R133 HydrophobicContact CG-CG 3.86Å |
| 110 | Y | 95.7 | Very high | 90.2 | Very high | 49 Ų | 49 | 48 Ų | 48 | 19% | 0.192 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 158.4 | -178.9 | -67.5 | -93.9 | 0 | 0 | 0 | 110.7 | G102 F103 M105 L108 I121 K122 A123 | G102-Y110 CarbonylContact C-O 3.54Å; G102-Y110 WeakPolarHBondContact CA-O 3.34Å; F103-Y110 HydrophobicContact CE2-CD2 4.36Å; F103-Y110 HydrophobicContact CE2-CG 4.26Å; F103-Y110 VanDerWaalsContact CZ-CB 3.48Å; F103-Y110 HydrophobicContact CZ-CG 4.23Å; F103-Y110 PolarHBondContact N-O 2.78Å; F103-Y110 PolarHBondContact O-N 3.39Å; M105-Y110 HydrophobicContact CB-CD2 3.8Å; M105-Y110 HydrophobicContact CB-CE2 3.76Å; M105-Y110 HydrophobicContact CE-CD1 4.41Å; M105-Y110 HydrophobicContact CE-CD2 3.84Å; M105-Y110 HydrophobicContact CE-CE1 4.08Å; M105-Y110 HydrophobicContact CE-CE2 3.45Å; M105-Y110 VanDerWaalsContact CE-CE2 3.45Å; M105-Y110 HydrophobicContact CE-CG 4.29Å; M105-Y110 HydrophobicContact CG-CE2 4.46Å; L108-Y110 HydrophobicContact CB-CD2 4.21Å; L108-Y110 HydrophobicContact CB-CE2 3.52Å; L108-Y110 WeakPolarHBondContact CD1-OH 2.99Å; Y110-I121 HydrophobicContact CD1-CG2 3.74Å; Y110-I121 HydrophobicContact CG-CG2 4.14Å; Y110-K122 CarbonylContact C-O 3.5Å; Y110-K122 VanDerWaalsContact CA-O 3.26Å; Y110-K122 WeakPolarHBondContact CA-O 3.39Å; Y110-A123 HydrophobicContact CD1-CB 3.99Å; Y110-A123 HydrophobicContact CE1-CB 3.79Å |
| 111 | M | 94.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.03 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 141.4 | 173.8 | -175.4 | 175.3 | 74.8 | 0 | 0 | 110.1 | G100 V101 S113 K122 I124 | G100-M111 VanDerWaalsContact O-SD 3.39Å; V101-M111 WeakPolarHBondContact O-CA 2.95Å; M111-S113 WeakPolarHBondContact CE-OG 3.34Å; M111-S113 PolarHBondContact O-N 2.98Å; M111-S113 PolarHBondContact O-OG 3.04Å; M111-K122 PolarHBondContact N-O 3.34Å; M111-K122 PolarHBondContact O-N 2.86Å; M111-I124 HydrophobicContact CB-CD1 3.6Å; M111-I124 HydrophobicContact CB-CG1 4.04Å; M111-I124 HydrophobicContact CB-CG2 4.24Å; M111-I124 HydrophobicContact CE-CD1 4.03Å; M111-I124 HydrophobicContact CE-CG2 4.35Å; M111-I124 HydrophobicContact CG-CD1 4.26Å; M111-I124 HydrophobicContact SD-CD1 3.71Å |
| 112 | C | 94.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 99.3 | 167 | -175.5 | 0 | 0 | 0 | 0 | 108.6 | C90 I97 E98 P99 G100 V101 M119 | C90-C112 HydrophobicContact CB-CB 3.68Å; C90-C112 WeakPolarHBondContact CB-SG 3.2Å; C90-C112 PolarHBondContact N-SG 2.92Å; C90-C112 VanDerWaalsContact N-SG 3.36Å; C90-C112 WeakPolarHBondContact SG-CA 3.46Å; C90-C112 WeakPolarHBondContact SG-CB 3.41Å; C90-C112 CovalentContact SG-SG 2.03Å; C90-C112 PolarHBondContact SG-SG 3.43Å; I97-C112 HydrophobicContact CB-CB 4.36Å; I97-C112 HydrophobicContact CG2-CB 3.88Å; E98-C112 WeakPolarHBondContact O-CB 3.37Å; P99-C112 CarbonylContact C-O 3.59Å; P99-C112 WeakPolarHBondContact CA-O 3.36Å; G100-C112 PolarHBondContact N-O 3.48Å; V101-C112 PolarHBondContact O-N 2.05Å; C112-M119 VanDerWaalsContact SG-SD 3.62Å |
| 113 | S | 89.8 | Confident | 90.7 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 138.6 | -173.6 | -57.3 | 0 | 0 | 0 | 0 | 110.5 | M111 M119 G120 | M111-S113 WeakPolarHBondContact CE-OG 3.34Å; M111-S113 PolarHBondContact O-N 2.98Å; M111-S113 PolarHBondContact O-OG 3.04Å; S113-M119 CarbonylContact O-C 3.51Å; S113-M119 WeakPolarHBondContact O-CA 3.14Å; S113-G120 PolarHBondContact N-O 3.47Å; S113-G120 PolarHBondContact O-N 2.77Å |
| 114 | V | 86 | Confident | 90.6 | Very high | 41 Ų | 41 | 51.2 Ų | 51.2 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123 | 169 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | P99 N118 M119 | P99-V114 HydrophobicContact CB-CG2 3.95Å; P99-V114 HydrophobicContact CG-CG2 4.45Å; V114-N118 CarbonylContact C-O 3.53Å; V114-N118 WeakPolarHBondContact CA-O 3.06Å; V114-M119 HydrophobicContact CG2-CE 3.56Å; V114-M119 HydrophobicContact CG2-CG 4.28Å |
| 115 | Y | 81.6 | Confident | 90.6 | Very high | 68 Ų | 68 | 49 Ų | 49 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 111.6 | 175.4 | -176.3 | -91.6 | 0 | 0 | 0 | 109.1 | S117 N118 W273 | Y115-S117 PolarHBondContact O-N 2.6Å; Y115-N118 PolarHBondContact N-O 2.89Å; Y115-N118 PolarHBondContact O-N 2.92Å; Y115-N118 VanDerWaalsContact O-O 3.13Å; Y115-W273 HydrophobicContact CD2-CB 3.68Å; Y115-W273 HydrophobicContact CE2-CB 4.16Å |
| 116 | E | 78.3 | Confident | 90.8 | Very high | 144 Ų | 144 | 45.1 Ų | 45.1 | 67% | 0.673 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | -102.9 | -174.4 | -61.5 | 171.9 | -169.8 | 0 | 0 | 112.3 | ||
| 117 | S | 74.1 | Confident | 90.8 | Very high | 89 Ų | 89 | 42 Ų | 42 | 62% | 0.622 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 1.3 | 178.6 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | Y115 | Y115-S117 PolarHBondContact O-N 2.6Š|
| 118 | N | 81.6 | Confident | 90.8 | Very high | 97 Ų | 97 | 39 Ų | 39 | 52% | 0.519 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 143.3 | -178.4 | -65.7 | -58.7 | 0 | 0 | 0 | 110.5 | V114 Y115 | V114-N118 CarbonylContact C-O 3.53Å; V114-N118 WeakPolarHBondContact CA-O 3.06Å; Y115-N118 PolarHBondContact N-O 2.89Å; Y115-N118 PolarHBondContact O-N 2.92Å; Y115-N118 VanDerWaalsContact O-O 3.13Å |
| 119 | M | 90.8 | Very high | 90.6 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 7% | 0.069 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 150 | 170.8 | -175.7 | 179 | -71.5 | 0 | 0 | 108.1 | I70 P87 P99 C112 S113 V114 | I70-M119 WeakPolarHBondContact CD1-O 3.45Å; I70-M119 HydrophobicContact CG2-CB 4.17Å; I70-M119 HydrophobicContact CG2-SD 4.28Å; P87-M119 HydrophobicContact CB-CB 3.66Å; P87-M119 HydrophobicContact CB-CE 3.62Å; P87-M119 HydrophobicContact CB-CG 4.39Å; P87-M119 HydrophobicContact CB-SD 3.88Å; P87-M119 HydrophobicContact CG-CB 4Å; P87-M119 HydrophobicContact CG-CE 3.85Å; P87-M119 VanDerWaalsContact O-CE 3.23Å; P87-M119 WeakPolarHBondContact O-CE 3.26Å; P99-M119 HydrophobicContact CB-CE 4.15Å; P99-M119 HydrophobicContact CG-CE 3.34Å; P99-M119 HydrophobicContact CG-SD 4.08Å; C112-M119 VanDerWaalsContact SG-SD 3.62Å; S113-M119 CarbonylContact O-C 3.51Å; S113-M119 WeakPolarHBondContact O-CA 3.14Å; V114-M119 HydrophobicContact CG2-CE 3.56Å; V114-M119 HydrophobicContact CG2-CG 4.28Å |
| 120 | G | 93.2 | Very high | 90.5 | Very high | 19 Ų | 19 | 47 Ų | 47 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.4 | 163 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | C90 S113 K122 | C90-G120 VanDerWaalsContact SG-C 3.53Å; S113-G120 PolarHBondContact N-O 3.47Å; S113-G120 PolarHBondContact O-N 2.77Å; G120-K122 PolarHBondContact O-N 3.01Å |
| 121 | I | 93.9 | Very high | 90.3 | Very high | 55 Ų | 55 | 46.5 Ų | 46.5 | 28% | 0.282 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 118.7 | 176.2 | -61.2 | 176.8 | 0 | 0 | 0 | 108.2 | C90 L92 I97 F103 Y110 | C90-I121 HydrophobicContact CB-CD1 4.06Å; C90-I121 HydrophobicContact CB-CG1 3.59Å; L92-I121 HydrophobicContact CB-CD1 4.08Å; L92-I121 HydrophobicContact CD1-CD1 4.34Å; I97-I121 HydrophobicContact CD1-CD1 4.14Å; F103-I121 HydrophobicContact CE1-CG2 4.11Å; F103-I121 HydrophobicContact CZ-CD1 4.22Å; F103-I121 HydrophobicContact CZ-CG2 3.64Å; Y110-I121 HydrophobicContact CD1-CG2 3.74Å; Y110-I121 HydrophobicContact CG-CG2 4.14Å |
| 122 | K | 93.4 | Very high | 90.3 | Very high | 96 Ų | 96 | 51.8 Ų | 51.8 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 142.7 | 177.1 | -66.8 | -172.6 | 178.8 | -178 | 0 | 110.4 | Y110 M111 G120 | Y110-K122 CarbonylContact C-O 3.5Å; Y110-K122 VanDerWaalsContact CA-O 3.26Å; Y110-K122 WeakPolarHBondContact CA-O 3.39Å; M111-K122 PolarHBondContact N-O 3.34Å; M111-K122 PolarHBondContact O-N 2.86Å; G120-K122 PolarHBondContact O-N 3.01Å |
| 123 | A | 94.4 | Very high | 90.4 | Very high | 32 Ų | 32 | 55 Ų | 55 | 26% | 0.264 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 128.4 | 168 | 0 | 0 | 0 | 0 | 0 | 108.9 | L108 Y109 Y110 M156 | L108-A123 HydrophobicContact CD1-CB 4.43Å; Y109-A123 WeakPolarHBondContact O-CA 3.24Å; Y110-A123 HydrophobicContact CD1-CB 3.99Å; Y110-A123 HydrophobicContact CE1-CB 3.79Å; A123-M156 HydrophobicContact CB-CB 3.85Å; A123-M156 HydrophobicContact CB-CG 3.98Å; A123-M156 WeakPolarHBondContact O-CG 3.07Å |
| 124 | I | 92.8 | Very high | 90.6 | Very high | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 1.9 | -177.3 | 63.9 | 161.4 | 0 | 0 | 0 | 113 | Y109 M111 R133 | Y109-I124 HydrophobicContact CD1-CD1 3.93Å; Y109-I124 HydrophobicContact CD1-CG1 3.73Å; Y109-I124 HydrophobicContact CE1-CD1 4Å; Y109-I124 HydrophobicContact CE1-CG1 4.3Å; Y109-I124 PolarHBondContact O-N 3.1Å; M111-I124 HydrophobicContact CB-CD1 3.6Å; M111-I124 HydrophobicContact CB-CG1 4.04Å; M111-I124 HydrophobicContact CB-CG2 4.24Å; M111-I124 HydrophobicContact CE-CD1 4.03Å; M111-I124 HydrophobicContact CE-CG2 4.35Å; M111-I124 HydrophobicContact CG-CD1 4.26Å; M111-I124 HydrophobicContact SD-CD1 3.71Å; I124-R133 PolarHBondContact O-NE 2.8Å; I124-R133 PolarHBondContact O-NH2 2.88Å |
| 125 | G | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178 | -179.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y109 | Y109-G125 PolarHBondContact N-O 2.81Å; Y109-G125 PolarHBondContact O-N 3.34Å |
| 126 | C | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 155.2 | 164.9 | -55.9 | 0 | 0 | 0 | 0 | 109.2 | K107 Y109 I134 Y140 C149 E157 | K107-C126 CarbonylContact O-C 3.51Å; K107-C126 WeakPolarHBondContact O-CA 3.33Å; K107-C126 WeakPolarHBondContact O-CB 3.37Å; Y109-C126 WeakPolarHBondContact CB-O 3.3Å; C126-I134 HydrophobicContact CB-CB 4.08Å; C126-I134 PolarHBondContact N-O 3.09Å; C126-I134 VanDerWaalsContact N-O 3.08Å; C126-I134 PolarHBondContact O-N 3.38Å; C126-Y140 HydrophobicContact CB-CD1 4.38Å; C126-Y140 HydrophobicContact CB-CE1 3.53Å; C126-C149 HydrophobicContact CB-CB 3.72Å; C126-C149 WeakPolarHBondContact CB-SG 3.32Å; C126-C149 PolarHBondContact N-SG 3.21Å; C126-C149 WeakPolarHBondContact SG-CA 3.03Å; C126-C149 WeakPolarHBondContact SG-CB 3.46Å; C126-C149 CovalentContact SG-SG 2.04Å; C126-C149 PolarHBondContact SG-SG 2.98Å; C126-E157 PolarHBondContact SG-O 3.15Å |
| 127 | G | 95.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K107 Y140 | K107-G127 PolarHBondContact O-N 2.82Å; G127-Y140 WeakPolarHBondContact O-CE2 3.41Å |
| 128 | S | 94.6 | Very high | 93.4 | Very high | 15 Ų | 15 | 52.8 Ų | 52.8 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | trans | -85.2 | 164.8 | 165.6 | 49.7 | 0 | 0 | 0 | 0 | 111.2 | N130 G131 M132 | S128-N130 WeakPolarHBondContact CB-OD1 3Å; S128-N130 PolarHBondContact O-N 3.14Å; S128-N130 PolarHBondContact OG-OD1 2.86Å; S128-G131 PolarHBondContact O-N 2.77Å; S128-M132 PolarHBondContact N-O 2.92Å; S128-M132 WeakPolarHBondContact OG-CB 3.39Å; S128-M132 PolarHBondContact OG-N 3.05Å; S128-M132 PolarHBondContact OG-O 2.04Å | ||
| 129 | E | 91.6 | Very high | 94.2 | Very high | 127 Ų | 127 | 54.6 Ų | 54.6 | 59% | 0.593 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.1 | -177.2 | -62.6 | -176.1 | 139.7 | 0 | 0 | 113.7 | G131 V142 | E129-G131 PolarHBondContact O-N 3.5Å; E129-V142 HydrophobicContact CG-CB 4.42Å; E129-V142 HydrophobicContact CG-CG1 3.82Å; E129-V142 HydrophobicContact CG-CG2 4.39Å; E129-V142 WeakPolarHBondContact OE1-CG1 3.41Å |
| 130 | N | 93.2 | Very high | 94.4 | Very high | 115 Ų | 115 | 54.5 Ų | 54.5 | 62% | 0.615 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 8.1 | 176 | 68.3 | -8.3 | 0 | 0 | 0 | 113.7 | S128 M132 | S128-N130 WeakPolarHBondContact CB-OD1 3Å; S128-N130 PolarHBondContact O-N 3.14Å; S128-N130 PolarHBondContact OG-OD1 2.86Å; N130-M132 VanDerWaalsContact C-N 3.34Å; N130-M132 PolarHBondContact ND2-SD 3.33Å; N130-M132 PolarHBondContact O-N 2.89Å; N130-M132 WeakPolarHBondContact OD1-CB 3.32Å; N130-M132 WeakPolarHBondContact OD1-CG 3.25Å; N130-M132 PolarHBondContact OD1-N 2.77Å |
| 131 | G | 93.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 82.7 | 5.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y109 S128 E129 | Y109-G131 WeakPolarHBondContact CE2-O 3.37Å; S128-G131 PolarHBondContact O-N 2.77Å; E129-G131 PolarHBondContact O-N 3.5Å |
| 132 | M | 94 | Very high | 94.4 | Very high | 117 Ų | 117 | 59.9 Ų | 59.9 | 58% | 0.576 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -80.3 | 148.5 | 179.3 | -61.6 | 179.4 | 68 | 0 | 0 | 112.3 | S128 N130 | S128-M132 PolarHBondContact N-O 2.92Å; S128-M132 WeakPolarHBondContact OG-CB 3.39Å; S128-M132 PolarHBondContact OG-N 3.05Å; S128-M132 PolarHBondContact OG-O 2.04Å; N130-M132 VanDerWaalsContact C-N 3.34Å; N130-M132 PolarHBondContact ND2-SD 3.33Å; N130-M132 PolarHBondContact O-N 2.89Å; N130-M132 WeakPolarHBondContact OD1-CB 3.32Å; N130-M132 WeakPolarHBondContact OD1-CG 3.25Å; N130-M132 PolarHBondContact OD1-N 2.77Å |
| 133 | R | 95 | Very high | 94.3 | Very high | 68 Ų | 68 | 61.6 Ų | 61.6 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 127 | 171.7 | -176.6 | -178.8 | 175.5 | -157.8 | -0.6 | 110.1 | Y109 I124 | Y109-R133 HydrophobicContact CD1-CB 3.97Å; Y109-R133 HydrophobicContact CD1-CG 3.88Å; Y109-R133 HydrophobicContact CD2-CB 3.64Å; Y109-R133 HydrophobicContact CD2-CG 4.28Å; Y109-R133 HydrophobicContact CE1-CB 4.07Å; Y109-R133 HydrophobicContact CE1-CG 4.31Å; Y109-R133 HydrophobicContact CE2-CB 3.78Å; Y109-R133 HydrophobicContact CG-CB 3.74Å; Y109-R133 HydrophobicContact CG-CG 3.86Å; I124-R133 PolarHBondContact O-NE 2.8Å; I124-R133 PolarHBondContact O-NH2 2.88Å |
| 134 | I | 95.4 | Very high | 94.2 | Very high | 24 Ų | 24 | 63.5 Ų | 63.5 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.4 | 169.1 | -51.5 | -57.9 | 0 | 0 | 0 | 108.5 | C126 Q138 Y140 C149 | C126-I134 HydrophobicContact CB-CB 4.08Å; C126-I134 PolarHBondContact N-O 3.09Å; C126-I134 VanDerWaalsContact N-O 3.08Å; C126-I134 PolarHBondContact O-N 3.38Å; I134-Q138 HydrophobicContact CG2-CB 3.66Å; I134-Y140 HydrophobicContact CB-CD1 4.24Å; I134-Y140 HydrophobicContact CB-CG 4.41Å; I134-Y140 HydrophobicContact CD1-CG 4.43Å; I134-Y140 HydrophobicContact CG1-CD1 4.14Å; I134-Y140 HydrophobicContact CG1-CD2 4.16Å; I134-Y140 HydrophobicContact CG1-CG 3.81Å; I134-Y140 HydrophobicContact CG2-CD1 3.74Å; I134-Y140 HydrophobicContact CG2-CE1 4.48Å; I134-Y140 HydrophobicContact CG2-CG 4.11Å; I134-C149 HydrophobicContact CG2-CB 4.25Å |
| 135 | Q | 92.1 | Very high | 94.3 | Very high | 73 Ų | 73 | 64.6 Ų | 64.6 | 34% | 0.341 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 157.9 | -178.4 | -57 | -171.5 | 18.4 | 0 | 0 | 111.8 | G137 Q138 C149 | Q135-G137 PolarHBondContact O-N 3.41Å; Q135-Q138 HydrophobicContact CB-CG 4.14Å; Q135-Q138 WeakPolarHBondContact O-CB 3Å; Q135-Q138 PolarHBondContact O-N 3.18Å; Q135-Q138 VanDerWaalsContact O-N 3.16Å; Q135-C149 WeakPolarHBondContact O-CB 3.3Å |
| 136 | I | 94.3 | Very high | 94.4 | Very high | 83 Ų | 83 | 64.8 Ų | 64.8 | 43% | 0.426 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 135.8 | 170.7 | -60.1 | 164.3 | 0 | 0 | 0 | 108.7 | Q138 L151 M156 | I136-Q138 VanDerWaalsContact C-N 3.33Å; I136-L151 HydrophobicContact CD1-CB 4.05Å; I136-L151 HydrophobicContact CG2-CB 4.44Å; I136-M156 HydrophobicContact CD1-CE 4.21Å; I136-M156 HydrophobicContact CD1-SD 3.86Å; I136-M156 HydrophobicContact CG1-CE 3.51Å; I136-M156 HydrophobicContact CG1-SD 3.85Å |
| 137 | G | 95.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 64.8 Ų | 64.8 | 39% | 0.392 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -4.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q135 Y148 C149 | Q135-G137 PolarHBondContact O-N 3.41Å; G137-Y148 VanDerWaalsContact C-CE2 3.47Å; G137-Y148 WeakPolarHBondContact CA-OH 3.38Å; G137-Y148 WeakPolarHBondContact O-CE2 3.2Å; G137-C149 PolarHBondContact N-O 2.76Å |
| 138 | Q | 96.9 | Very high | 94.6 | Very high | 82 Ų | 82 | 68.4 Ų | 68.4 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | trans | -92.6 | 146.8 | 178.5 | -65.9 | -177.3 | -29 | 0 | 0 | 112 | I134 Q135 I136 C149 | I134-Q138 HydrophobicContact CG2-CB 3.66Å; Q135-Q138 HydrophobicContact CB-CG 4.14Å; Q135-Q138 WeakPolarHBondContact O-CB 3Å; Q135-Q138 PolarHBondContact O-N 3.18Å; Q135-Q138 VanDerWaalsContact O-N 3.16Å; I136-Q138 VanDerWaalsContact C-N 3.33Å; Q138-C149 PolarHBondContact O-N 3.14Å | ||
| 139 | K | 97 | Very high | 94.7 | Very high | 134 Ų | 134 | 67.7 Ų | 67.7 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 143.7 | 167.4 | -62.6 | 176.5 | -177.5 | 178.9 | 0 | 109.1 | V146 F147 Y148 I161 I169 | K139-V146 HydrophobicContact CB-CG1 4.45Å; K139-F147 CarbonylContact C-O 3.48Å; K139-F147 WeakPolarHBondContact CA-O 3.41Å; K139-Y148 HydrophobicContact CG-CD2 4Å; K139-I161 HydrophobicContact CD-CD1 3.7Å; K139-I161 HydrophobicContact CG-CD1 3.83Å; K139-I169 HydrophobicContact CD-CD1 4.14Å |
| 140 | Y | 96.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 65.2 Ų | 65.2 | 5% | 0.051 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 160 | 175.2 | 69 | -78 | 0 | 0 | 0 | 110.8 | K107 C126 G127 I134 V142 V146 F147 C149 A158 | K107-Y140 PolarHBondContact O-OH 2.78Å; C126-Y140 HydrophobicContact CB-CD1 4.38Å; C126-Y140 HydrophobicContact CB-CE1 3.53Å; G127-Y140 WeakPolarHBondContact O-CE2 3.41Å; I134-Y140 HydrophobicContact CB-CD1 4.24Å; I134-Y140 HydrophobicContact CB-CG 4.41Å; I134-Y140 HydrophobicContact CD1-CG 4.43Å; I134-Y140 HydrophobicContact CG1-CD1 4.14Å; I134-Y140 HydrophobicContact CG1-CD2 4.16Å; I134-Y140 HydrophobicContact CG1-CG 3.81Å; I134-Y140 HydrophobicContact CG2-CD1 3.74Å; I134-Y140 HydrophobicContact CG2-CE1 4.48Å; I134-Y140 HydrophobicContact CG2-CG 4.11Å; Y140-V142 HydrophobicContact CD2-CG2 3.99Å; Y140-V142 HydrophobicContact CE2-CG2 3.73Å; Y140-V146 WeakPolarHBondContact O-CA 2.94Å; Y140-F147 HydrophobicContact CD1-CB 3.85Å; Y140-F147 HydrophobicContact CD2-CB 4.46Å; Y140-F147 HydrophobicContact CE1-CB 3.35Å; Y140-F147 HydrophobicContact CE1-CG 4.4Å; Y140-F147 HydrophobicContact CE2-CB 4.03Å; Y140-F147 HydrophobicContact CE2-CD2 4.27Å; Y140-F147 HydrophobicContact CE2-CG 4.38Å; Y140-F147 HydrophobicContact CG-CB 4.39Å; Y140-F147 VanDerWaalsContact CZ-CB 3.45Å; Y140-F147 PolarHBondContact N-O 3.05Å; Y140-F147 PolarHBondContact O-N 3.46Å; Y140-C149 HydrophobicContact CE1-CB 4.46Å; Y140-A158 WeakPolarHBondContact OH-CB 3.44Å |
| 141 | R | 94.3 | Very high | 95 | Very high | 162 Ų | 162 | 64 Ų | 64 | 61% | 0.611 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 145.7 | -176.4 | -60.4 | 178.8 | -174.4 | 169 | -8.1 | 110.3 | L145 V146 D164 | R141-L145 WeakPolarHBondContact CA-O 3.31Å; R141-V146 HydrophobicContact CG-CG2 4.36Å; R141-D164 IonicContact CZ-OD2 3.26Å; R141-D164 IonicContact NE-OD2 3.73Å; R141-D164 PolarHBondContact NE-OD2 3.26Å; R141-D164 IonicContact NH1-OD2 2.71Å; R141-D164 PolarHBondContact NH1-OD2 3.05Å; R141-D164 IonicContact NH2-OD2 2.74Å; R141-D164 PolarHBondContact NH2-OD2 3.26Å |
| 142 | V | 93 | Very high | 95.1 | Very high | 25 Ų | 25 | 68.8 Ų | 68.8 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 105.9 | 172.8 | 177.6 | 0 | 0 | 0 | 0 | 104.3 | E129 Y140 T144 L145 F147 | E129-V142 HydrophobicContact CG-CB 4.42Å; E129-V142 HydrophobicContact CG-CG1 3.82Å; E129-V142 HydrophobicContact CG-CG2 4.39Å; E129-V142 WeakPolarHBondContact OE1-CG1 3.41Å; Y140-V142 HydrophobicContact CD2-CG2 3.99Å; Y140-V142 HydrophobicContact CE2-CG2 3.73Å; V142-T144 PolarHBondContact O-N 2.86Å; V142-L145 PolarHBondContact N-O 2.77Å; V142-L145 WeakPolarHBondContact O-CB 3.34Å; V142-L145 PolarHBondContact O-N 2.89Å; V142-F147 HydrophobicContact CB-CD2 4.22Å; V142-F147 HydrophobicContact CB-CE2 3.93Å; V142-F147 HydrophobicContact CG2-CD2 3.9Å; V142-F147 HydrophobicContact CG2-CE2 4.01Å |
| 143 | D | 90.6 | Very high | 95.1 | Very high | 132 Ų | 132 | 70.6 Ų | 70.6 | 71% | 0.706 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | -122.1 | -161.9 | -61.4 | -45 | 0 | 0 | 0 | 112.2 | ||
| 144 | T | 92.6 | Very high | 94.8 | Very high | 71 Ų | 71 | 70.6 Ų | 70.6 | 44% | 0.436 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -2.9 | 175.8 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | V142 C163 D164 | V142-T144 PolarHBondContact O-N 2.86Å; T144-C163 CarbonylContact O-C 3.57Å; T144-C163 WeakPolarHBondContact O-CA 3.44Å; T144-D164 PolarHBondContact O-N 3.39Å |
| 145 | L | 94.9 | Very high | 94.7 | Very high | 38 Ų | 38 | 76.4 Ų | 76.4 | 20% | 0.199 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 137.8 | -178.4 | -53.3 | 179 | 0 | 0 | 0 | 110.2 | R141 V142 F147 F160 | R141-L145 WeakPolarHBondContact CA-O 3.31Å; V142-L145 PolarHBondContact N-O 2.77Å; V142-L145 WeakPolarHBondContact O-CB 3.34Å; V142-L145 PolarHBondContact O-N 2.89Å; L145-F147 HydrophobicContact CB-CD2 4.44Å; L145-F147 HydrophobicContact CB-CE2 3.6Å; L145-F147 HydrophobicContact CB-CZ 4.06Å; L145-F147 HydrophobicContact CD1-CE2 4.36Å; L145-F147 HydrophobicContact CD1-CZ 4.21Å; L145-F160 HydrophobicContact CB-CD2 4.4Å; L145-F160 HydrophobicContact CB-CE2 4.05Å; L145-F160 HydrophobicContact CD2-CE2 3.69Å; L145-F160 HydrophobicContact CD2-CZ 4.22Å; L145-F160 HydrophobicContact CG-CE2 4.37Å |
| 146 | V | 96.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.6 | 178.2 | -166.5 | 0 | 0 | 0 | 0 | 109.8 | K139 Y140 R141 I161 G162 D164 I169 | K139-V146 HydrophobicContact CB-CG1 4.45Å; Y140-V146 WeakPolarHBondContact O-CA 2.94Å; R141-V146 HydrophobicContact CG-CG2 4.36Å; V146-I161 HydrophobicContact CB-CG1 4.07Å; V146-I161 HydrophobicContact CG1-CD1 3.85Å; V146-I161 HydrophobicContact CG1-CG1 3.9Å; V146-I161 VanDerWaalsContact O-CG1 3.3Å; V146-I161 WeakPolarHBondContact O-CG1 3.47Å; V146-I161 PolarHBondContact O-N 2.85Å; V146-G162 PolarHBondContact N-O 2.86Å; V146-G162 PolarHBondContact O-N 2.03Å; V146-D164 HydrophobicContact CG2-CB 3.77Å; V146-I169 HydrophobicContact CB-CG2 4.45Å; V146-I169 HydrophobicContact CG1-CD1 3.92Å; V146-I169 HydrophobicContact CG1-CG1 4.46Å; V146-I169 HydrophobicContact CG2-CG1 4.25Å; V146-I169 HydrophobicContact CG2-CG2 4.45Å |
| 147 | F | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 73 Ų | 73 | 0% | 0.004 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 153.7 | 179.5 | -66.3 | -84.4 | 0 | 0 | 0 | 111 | K107 K139 Y140 V142 L145 A158 I159 F160 E187 | K107-F147 HydrophobicContact CD-CD1 4.14Å; K107-F147 HydrophobicContact CD-CE1 3.76Å; K107-F147 HydrophobicContact CD-CZ 4.05Å; K107-F147 VanDerWaalsContact CE-CE1 3.46Å; K107-F147 VanDerWaalsContact NZ-CE1 3.27Å; K139-F147 CarbonylContact C-O 3.48Å; K139-F147 WeakPolarHBondContact CA-O 3.41Å; Y140-F147 HydrophobicContact CD1-CB 3.85Å; Y140-F147 HydrophobicContact CD2-CB 4.46Å; Y140-F147 HydrophobicContact CE1-CB 3.35Å; Y140-F147 HydrophobicContact CE1-CG 4.4Å; Y140-F147 HydrophobicContact CE2-CB 4.03Å; Y140-F147 HydrophobicContact CE2-CD2 4.27Å; Y140-F147 HydrophobicContact CE2-CG 4.38Å; Y140-F147 HydrophobicContact CG-CB 4.39Å; Y140-F147 VanDerWaalsContact CZ-CB 3.45Å; Y140-F147 PolarHBondContact N-O 3.05Å; Y140-F147 PolarHBondContact O-N 3.46Å; V142-F147 HydrophobicContact CB-CD2 4.22Å; V142-F147 HydrophobicContact CB-CE2 3.93Å; V142-F147 HydrophobicContact CG2-CD2 3.9Å; V142-F147 HydrophobicContact CG2-CE2 4.01Å; L145-F147 HydrophobicContact CB-CD2 4.44Å; L145-F147 HydrophobicContact CB-CE2 3.6Å; L145-F147 HydrophobicContact CB-CZ 4.06Å; L145-F147 HydrophobicContact CD1-CE2 4.36Å; L145-F147 HydrophobicContact CD1-CZ 4.21Å; F147-A158 HydrophobicContact CD1-CB 4.4Å; F147-I159 CarbonylContact C-O 3.42Å; F147-I159 WeakPolarHBondContact CA-O 3.35Å; F147-F160 HydrophobicContact CD1-CB 4.17Å; F147-F160 HydrophobicContact CE1-CB 3.8Å; F147-F160 HydrophobicContact CE1-CD2 4.13Å; F147-F160 HydrophobicContact CE1-CG 4.46Å; F147-F160 HydrophobicContact CZ-CD2 4.18Å; F147-E187 WeakPolarHBondContact CE1-OE1 3.26Å |
| 148 | Y | 97.6 | Very high | 95 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 31% | 0.306 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 128.6 | 169.2 | -178.9 | -106.2 | 0 | 0 | 0 | 109.2 | G137 K139 Q150 I159 | G137-Y148 VanDerWaalsContact C-CE2 3.47Å; G137-Y148 WeakPolarHBondContact CA-OH 3.38Å; G137-Y148 WeakPolarHBondContact O-CE2 3.2Å; K139-Y148 HydrophobicContact CG-CD2 4Å; Y148-Q150 HydrophobicContact CD1-CB 4.09Å; Y148-Q150 HydrophobicContact CE1-CB 4.06Å; Y148-Q150 HydrophobicContact CE1-CG 4.48Å; Y148-I159 PolarHBondContact N-O 2.81Å; Y148-I159 PolarHBondContact O-N 2.88Å |
| 149 | C | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.7 | 179.1 | -161.2 | 0 | 0 | 0 | 0 | 111.2 | C126 I134 Q135 G137 Q138 Y140 M156 | C126-C149 HydrophobicContact CB-CB 3.72Å; C126-C149 WeakPolarHBondContact CB-SG 3.32Å; C126-C149 PolarHBondContact N-SG 3.21Å; C126-C149 WeakPolarHBondContact SG-CA 3.03Å; C126-C149 WeakPolarHBondContact SG-CB 3.46Å; C126-C149 CovalentContact SG-SG 2.04Å; C126-C149 PolarHBondContact SG-SG 2.98Å; I134-C149 HydrophobicContact CG2-CB 4.25Å; Q135-C149 WeakPolarHBondContact O-CB 3.3Å; G137-C149 PolarHBondContact N-O 2.76Å; Q138-C149 PolarHBondContact O-N 3.14Å; Y140-C149 HydrophobicContact CE1-CB 4.46Å; C149-M156 VanDerWaalsContact SG-CE 3.52Å |
| 150 | Q | 96 | Very high | 95 | Very high | 75 Ų | 75 | 65.6 Ų | 65.6 | 35% | 0.35 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 150.6 | -176.7 | -174.4 | 167.6 | 14 | 0 | 0 | 112 | Y148 E157 I159 | Y148-Q150 HydrophobicContact CD1-CB 4.09Å; Y148-Q150 HydrophobicContact CE1-CB 4.06Å; Y148-Q150 HydrophobicContact CE1-CG 4.48Å; Q150-E157 PolarHBondContact N-O 3.46Å; Q150-E157 PolarHBondContact O-N 2.93Å; Q150-I159 HydrophobicContact CB-CD1 3.88Å; Q150-I159 HydrophobicContact CG-CD1 4.43Å |
| 151 | L | 95.4 | Very high | 95.1 | Very high | 88 Ų | 88 | 67.1 Ų | 67.1 | 46% | 0.461 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 118.8 | 164.1 | -174.5 | 73.4 | 0 | 0 | 0 | 108.6 | I136 K155 M156 | I136-L151 HydrophobicContact CD1-CB 4.05Å; I136-L151 HydrophobicContact CG2-CB 4.44Å; L151-K155 WeakPolarHBondContact CA-O 3.5Å; L151-M156 HydrophobicContact CB-SD 4.25Å; L151-M156 HydrophobicContact CD1-CG 4.32Å; L151-M156 HydrophobicContact CD1-SD 3.66Å |
| 152 | R | 93.9 | Very high | 95.3 | Very high | 139 Ų | 139 | 59.4 Ų | 59.4 | 53% | 0.525 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.8 | 178.8 | -173.8 | -179.9 | -179.1 | 177.3 | 1.3 | 109.4 | G154 K155 E157 | R152-G154 PolarHBondContact O-N 2.92Å; R152-G154 VanDerWaalsContact O-N 3.14Å; R152-K155 PolarHBondContact N-O 2.82Å; R152-K155 PolarHBondContact O-N 3.07Å; R152-E157 WeakPolarHBondContact CD-OE2 3.37Å |
| 153 | E | 93.8 | Very high | 95.4 | Very high | 155 Ų | 155 | 58.3 Ų | 58.3 | 72% | 0.724 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 37.9 | -179.5 | -61 | 176.7 | -159.9 | 0 | 0 | 113.4 | K155 | E153-K155 VanDerWaalsContact C-N 3.26Å; E153-K155 PolarHBondContact O-N 2.95Å |
| 154 | G | 89 | Confident | 95.6 | Very high | 69 Ų | 69 | 53.1 Ų | 53.1 | 71% | 0.711 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 9.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | R152 | R152-G154 PolarHBondContact O-N 2.92Å; R152-G154 VanDerWaalsContact O-N 3.14Å |
| 155 | K | 93.4 | Very high | 95.7 | Very high | 146 Ų | 146 | 52.6 Ų | 52.6 | 64% | 0.635 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 139.4 | 177 | -62.3 | 180 | -177.7 | 175.8 | 0 | 111 | L151 R152 E153 | L151-K155 WeakPolarHBondContact CA-O 3.5Å; R152-K155 PolarHBondContact N-O 2.82Å; R152-K155 PolarHBondContact O-N 3.07Å; E153-K155 VanDerWaalsContact C-N 3.26Å; E153-K155 PolarHBondContact O-N 2.95Å |
| 156 | M | 95 | Very high | 95.5 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 131.4 | 174.3 | -67.6 | -60.5 | -57.2 | 0 | 0 | 110.3 | L108 A123 I136 C149 L151 | L108-M156 HydrophobicContact CD2-CB 4.14Å; A123-M156 HydrophobicContact CB-CB 3.85Å; A123-M156 HydrophobicContact CB-CG 3.98Å; A123-M156 WeakPolarHBondContact O-CG 3.07Å; I136-M156 HydrophobicContact CD1-CE 4.21Å; I136-M156 HydrophobicContact CD1-SD 3.86Å; I136-M156 HydrophobicContact CG1-CE 3.51Å; I136-M156 HydrophobicContact CG1-SD 3.85Å; C149-M156 VanDerWaalsContact SG-CE 3.52Å; L151-M156 HydrophobicContact CB-SD 4.25Å; L151-M156 HydrophobicContact CD1-CG 4.32Å; L151-M156 HydrophobicContact CD1-SD 3.66Å |
| 157 | E | 96.6 | Very high | 95.4 | Very high | 65 Ų | 65 | 59.6 Ų | 59.6 | 30% | 0.304 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.3 | -179.7 | -65.6 | -175.3 | 175.4 | 0 | 0 | 110.9 | C126 Q150 R152 I159 | C126-E157 PolarHBondContact SG-O 3.15Å; Q150-E157 PolarHBondContact N-O 3.46Å; Q150-E157 PolarHBondContact O-N 2.93Å; R152-E157 WeakPolarHBondContact CD-OE2 3.37Å; E157-I159 HydrophobicContact CB-CG1 4.37Å |
| 158 | A | 97 | Very high | 95.3 | Very high | 21 Ų | 21 | 61.2 Ų | 61.2 | 17% | 0.174 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 104.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | K107 Y140 F147 | K107-A158 HydrophobicContact CB-CB 3.54Å; K107-A158 HydrophobicContact CD-CB 3.97Å; K107-A158 HydrophobicContact CG-CB 4.36Å; Y140-A158 WeakPolarHBondContact OH-CB 3.44Å; F147-A158 HydrophobicContact CD1-CB 4.4Å |
| 159 | I | 97.1 | Very high | 95.3 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 28% | 0.282 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121.6 | -173.1 | -58.5 | 177.2 | 0 | 0 | 0 | 109.1 | F147 Y148 Q150 E157 I161 | F147-I159 CarbonylContact C-O 3.42Å; F147-I159 WeakPolarHBondContact CA-O 3.35Å; Y148-I159 PolarHBondContact N-O 2.81Å; Y148-I159 PolarHBondContact O-N 2.88Å; Q150-I159 HydrophobicContact CB-CD1 3.88Å; Q150-I159 HydrophobicContact CG-CD1 4.43Å; E157-I159 HydrophobicContact CB-CG1 4.37Å; I159-I161 HydrophobicContact CG2-CG2 4.27Å; I159-I161 PolarHBondContact O-N 3.05Å |
| 160 | F | 97.3 | Very high | 95.2 | Very high | 24 Ų | 24 | 61.6 Ų | 61.6 | 11% | 0.105 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 122.2 | 171 | 177.3 | -114.8 | 0 | 0 | 0 | 110.6 | L145 F147 G162 P172 C185 E187 | L145-F160 HydrophobicContact CB-CD2 4.4Å; L145-F160 HydrophobicContact CB-CE2 4.05Å; L145-F160 HydrophobicContact CD2-CE2 3.69Å; L145-F160 HydrophobicContact CD2-CZ 4.22Å; L145-F160 HydrophobicContact CG-CE2 4.37Å; F147-F160 HydrophobicContact CD1-CB 4.17Å; F147-F160 HydrophobicContact CE1-CB 3.8Å; F147-F160 HydrophobicContact CE1-CD2 4.13Å; F147-F160 HydrophobicContact CE1-CG 4.46Å; F147-F160 HydrophobicContact CZ-CD2 4.18Å; F160-G162 WeakPolarHBondContact CE2-O 3.44Å; F160-P172 HydrophobicContact CD1-CB 4.15Å; F160-P172 HydrophobicContact CD1-CG 3.69Å; F160-P172 HydrophobicContact CE1-CB 3.73Å; F160-P172 HydrophobicContact CE1-CG 3.55Å; F160-C185 VanDerWaalsContact CZ-SG 3.57Å; F160-E187 HydrophobicContact CB-CB 4.12Å; F160-E187 HydrophobicContact CB-CG 3.97Å; F160-E187 WeakPolarHBondContact CB-OE2 3.5Å; F160-E187 HydrophobicContact CD1-CB 3.61Å; F160-E187 HydrophobicContact CD1-CG 4.38Å; F160-E187 HydrophobicContact CD2-CB 4.17Å; F160-E187 HydrophobicContact CD2-CG 4.3Å; F160-E187 HydrophobicContact CE1-CB 3.91Å; F160-E187 HydrophobicContact CE2-CB 4.46Å; F160-E187 HydrophobicContact CG-CB 3.71Å; F160-E187 HydrophobicContact CG-CG 3.98Å; F160-E187 HydrophobicContact CZ-CB 4.32Å |
| 161 | I | 97.7 | Very high | 95.3 | Very high | 45 Ų | 45 | 64.3 Ų | 64.3 | 23% | 0.231 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -6.5 | -178.4 | 61.3 | 163.6 | 0 | 0 | 0 | 113.4 | K139 V146 I159 I169 P172 | K139-I161 HydrophobicContact CD-CD1 3.7Å; K139-I161 HydrophobicContact CG-CD1 3.83Å; V146-I161 HydrophobicContact CB-CG1 4.07Å; V146-I161 HydrophobicContact CG1-CD1 3.85Å; V146-I161 HydrophobicContact CG1-CG1 3.9Å; V146-I161 VanDerWaalsContact O-CG1 3.3Å; V146-I161 WeakPolarHBondContact O-CG1 3.47Å; V146-I161 PolarHBondContact O-N 2.85Å; I159-I161 HydrophobicContact CG2-CG2 4.27Å; I159-I161 PolarHBondContact O-N 3.05Å; I161-I169 HydrophobicContact CD1-CD1 4.13Å; I161-P172 WeakPolarHBondContact O-CD 3.41Å |
| 162 | G | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.4 | -166.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V146 F160 V170 | V146-G162 PolarHBondContact N-O 2.86Å; V146-G162 PolarHBondContact O-N 2.03Å; F160-G162 WeakPolarHBondContact CE2-O 3.44Å; G162-V170 CarbonylContact C-O 3.59Å; G162-V170 WeakPolarHBondContact CA-O 3.47Å |
| 163 | C | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.014 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.9 | -178.5 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | T144 I169 V170 Y176 C185 | T144-C163 CarbonylContact O-C 3.57Å; T144-C163 WeakPolarHBondContact O-CA 3.44Å; C163-I169 CarbonylContact O-C 3.47Å; C163-I169 WeakPolarHBondContact O-CA 3.4Å; C163-V170 PolarHBondContact N-O 3.47Å; C163-V170 PolarHBondContact O-N 3.32Å; C163-Y176 HydrophobicContact CB-CE1 3.99Å; C163-C185 HydrophobicContact CB-CB 3.83Å; C163-C185 WeakPolarHBondContact CB-SG 3.16Å; C163-C185 PolarHBondContact N-SG 3.02Å; C163-C185 WeakPolarHBondContact SG-CA 3.2Å; C163-C185 WeakPolarHBondContact SG-CB 3.35Å; C163-C185 CovalentContact SG-SG 2.05Å; C163-C185 PolarHBondContact SG-SG 3.36Å |
| 164 | D | 94.7 | Very high | 95.7 | Very high | 23 Ų | 23 | 56.5 Ų | 56.5 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 120.1 | 173.3 | -173.6 | 8.8 | 0 | 0 | 0 | 110.2 | R141 T144 V146 G166 G168 | R141-D164 IonicContact CZ-OD2 3.26Å; R141-D164 IonicContact NE-OD2 3.73Å; R141-D164 PolarHBondContact NE-OD2 3.26Å; R141-D164 IonicContact NH1-OD2 2.71Å; R141-D164 PolarHBondContact NH1-OD2 3.05Å; R141-D164 IonicContact NH2-OD2 2.74Å; R141-D164 PolarHBondContact NH2-OD2 3.26Å; T144-D164 PolarHBondContact O-N 3.39Å; V146-D164 HydrophobicContact CG2-CB 3.77Å; D164-G166 PolarHBondContact OD1-N 2.71Å; D164-G168 WeakPolarHBondContact CA-O 3.47Å |
| 165 | N | 93.4 | Very high | 96 | Very high | 60 Ų | 60 | 57 Ų | 57 | 32% | 0.321 | 34% | 0.343 | S | S | . | . | trans | -104.6 | 13.2 | 175.8 | 72.7 | -7 | 0 | 0 | 0 | 113 | S167 G168 V170 Y176 | N165-S167 PolarHBondContact O-N 3.26Å; N165-S167 WeakPolarHBondContact OD1-CA 3.49Å; N165-S167 WeakPolarHBondContact OD1-CB 3.27Å; N165-S167 PolarHBondContact OD1-N 3.39Å; N165-G168 PolarHBondContact N-O 3.31Å; N165-G168 PolarHBondContact OD1-N 2.81Å; N165-G168 VanDerWaalsContact OD1-N 3.1Å; N165-G168 PolarHBondContact OD1-O 2.74Å; N165-V170 HydrophobicContact CB-CG2 4.19Å; N165-Y176 HydrophobicContact CB-CD2 3.58Å; N165-Y176 HydrophobicContact CB-CE2 4.06Å; N165-Y176 HydrophobicContact CB-CG 4.3Å | ||
| 166 | G | 92.3 | Very high | 96 | Very high | 71 Ų | 71 | 51.5 Ų | 51.5 | 73% | 0.732 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 82 | -19.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D164 | D164-G166 PolarHBondContact OD1-N 2.71Š|
| 167 | S | 94.3 | Very high | 95.8 | Very high | 117 Ų | 117 | 55.6 Ų | 55.6 | 82% | 0.818 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -99.2 | -13.2 | 173.5 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | N165 | N165-S167 PolarHBondContact O-N 3.26Å; N165-S167 WeakPolarHBondContact OD1-CA 3.49Å; N165-S167 WeakPolarHBondContact OD1-CB 3.27Å; N165-S167 PolarHBondContact OD1-N 3.39Å |
| 168 | G | 95.3 | Very high | 95.4 | Very high | 34 Ų | 34 | 56 Ų | 56 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 156.8 | -172.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D164 N165 | D164-G168 WeakPolarHBondContact CA-O 3.47Å; N165-G168 PolarHBondContact N-O 3.31Å; N165-G168 PolarHBondContact OD1-N 2.81Å; N165-G168 VanDerWaalsContact OD1-N 3.1Å; N165-G168 PolarHBondContact OD1-O 2.74Å |
| 169 | I | 97 | Very high | 95 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 113.2 | 177.9 | -55.4 | 174.3 | 0 | 0 | 0 | 108.9 | K139 V146 I161 C163 | K139-I169 HydrophobicContact CD-CD1 4.14Å; V146-I169 HydrophobicContact CB-CG2 4.45Å; V146-I169 HydrophobicContact CG1-CD1 3.92Å; V146-I169 HydrophobicContact CG1-CG1 4.46Å; V146-I169 HydrophobicContact CG2-CG1 4.25Å; V146-I169 HydrophobicContact CG2-CG2 4.45Å; I161-I169 HydrophobicContact CD1-CD1 4.13Å; C163-I169 CarbonylContact O-C 3.47Å; C163-I169 WeakPolarHBondContact O-CA 3.4Å |
| 170 | V | 97.1 | Very high | 94.7 | Very high | 15 Ų | 15 | 63.8 Ų | 63.8 | 9% | 0.091 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 131 | 171.7 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | G162 C163 N165 E174 Y176 C185 | G162-V170 CarbonylContact C-O 3.59Å; G162-V170 WeakPolarHBondContact CA-O 3.47Å; C163-V170 PolarHBondContact N-O 3.47Å; C163-V170 PolarHBondContact O-N 3.32Å; N165-V170 HydrophobicContact CB-CG2 4.19Å; V170-E174 HydrophobicContact CG1-CB 3.61Å; V170-Y176 HydrophobicContact CB-CD1 4.27Å; V170-Y176 HydrophobicContact CG1-CD1 3.94Å; V170-Y176 HydrophobicContact CG1-CG 4.38Å; V170-Y176 HydrophobicContact CG2-CD1 4.22Å; V170-Y176 HydrophobicContact CG2-CG 3.98Å; V170-C185 HydrophobicContact CB-CB 4.45Å; V170-C185 HydrophobicContact CG1-CB 3.99Å; V170-C185 PolarHBondContact O-SG 3.31Å |
| 171 | K | 97.5 | Very high | 94.5 | Very high | 133 Ų | 133 | 66.3 Ų | 66.3 | 58% | 0.578 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 155.5 | -174.9 | -64.1 | 177.4 | -175.7 | 166.4 | 0 | 111.6 | G173 E174 C185 | K171-G173 PolarHBondContact O-N 2.78Å; K171-E174 HydrophobicContact CB-CG 4.17Å; K171-E174 PolarHBondContact N-OE2 2.9Å; K171-E174 VanDerWaalsContact N-OE2 3.12Å; K171-E174 WeakPolarHBondContact O-CB 3.34Å; K171-E174 PolarHBondContact O-N 3.36Å; K171-C185 WeakPolarHBondContact O-CB 3.3Å |
| 172 | P | 97.1 | Very high | 94.3 | Very high | 72 Ų | 72 | 70.5 Ų | 70.5 | 47% | 0.468 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 128.1 | 172.3 | -25.8 | 35.4 | 0 | 0 | 0 | 111.6 | F160 I161 | F160-P172 HydrophobicContact CD1-CB 4.15Å; F160-P172 HydrophobicContact CD1-CG 3.69Å; F160-P172 HydrophobicContact CE1-CB 3.73Å; F160-P172 HydrophobicContact CE1-CG 3.55Å; I161-P172 WeakPolarHBondContact O-CD 3.41Å |
| 173 | G | 96.4 | Very high | 94.1 | Very high | 52 Ų | 52 | 71.4 Ų | 71.4 | 54% | 0.536 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -15.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | K171 C185 | K171-G173 PolarHBondContact O-N 2.78Å; G173-C185 PolarHBondContact N-O 2.95Å |
| 174 | E | 96.9 | Very high | 94 | Very high | 94 Ų | 94 | 75 Ų | 75 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | trans | -77.8 | 147.7 | 176.4 | -68.5 | 177.3 | 173.2 | 0 | 0 | 111.1 | V170 K171 C185 | V170-E174 HydrophobicContact CG1-CB 3.61Å; K171-E174 HydrophobicContact CB-CG 4.17Å; K171-E174 PolarHBondContact N-OE2 2.9Å; K171-E174 VanDerWaalsContact N-OE2 3.12Å; K171-E174 WeakPolarHBondContact O-CB 3.34Å; K171-E174 PolarHBondContact O-N 3.36Å; E174-C185 PolarHBondContact O-N 2.94Å | ||
| 175 | S | 95.5 | Very high | 94.1 | Very high | 80 Ų | 80 | 73.9 Ų | 73.9 | 56% | 0.559 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 147.9 | 173.4 | 58.3 | 0 | 0 | 0 | 0 | 111.5 | A183 | S175-A183 CarbonylContact C-O 3.56Å; S175-A183 WeakPolarHBondContact CA-O 3.35Å; S175-A183 WeakPolarHBondContact CB-O 3.47Å |
| 176 | Y | 94 | Very high | 94.2 | Very high | 29 Ų | 29 | 75.4 Ų | 75.4 | 11% | 0.114 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 156 | 175.9 | 66.9 | -81.4 | 0 | 0 | 0 | 110.6 | C163 N165 V170 D178 I182 A183 C185 | C163-Y176 HydrophobicContact CB-CE1 3.99Å; N165-Y176 HydrophobicContact CB-CD2 3.58Å; N165-Y176 HydrophobicContact CB-CE2 4.06Å; N165-Y176 HydrophobicContact CB-CG 4.3Å; V170-Y176 HydrophobicContact CB-CD1 4.27Å; V170-Y176 HydrophobicContact CG1-CD1 3.94Å; V170-Y176 HydrophobicContact CG1-CG 4.38Å; V170-Y176 HydrophobicContact CG2-CD1 4.22Å; V170-Y176 HydrophobicContact CG2-CG 3.98Å; Y176-D178 HydrophobicContact CE2-CB 4.06Å; Y176-I182 CarbonylContact O-C 3.45Å; Y176-I182 WeakPolarHBondContact O-CA 3.48Å; Y176-A183 HydrophobicContact CD1-CB 4.47Å; Y176-A183 HydrophobicContact CE1-CB 4.02Å; Y176-A183 HydrophobicContact CE2-CB 4.38Å; Y176-A183 PolarHBondContact N-O 2.97Å; Y176-A183 PolarHBondContact O-N 2.94Å; Y176-C185 HydrophobicContact CD1-CB 4.22Å; Y176-C185 HydrophobicContact CE1-CB 3.98Å |
| 177 | N | 91.5 | Very high | 93.9 | Very high | 105 Ų | 105 | 76.6 Ų | 76.6 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 121.5 | 172.3 | -169.7 | -18.5 | 0 | 0 | 0 | 108.8 | G179 K181 | N177-G179 VanDerWaalsContact C-N 3.26Å; N177-G179 WeakPolarHBondContact OD1-CA 3.01Å; N177-G179 PolarHBondContact OD1-N 2.85Å; N177-K181 WeakPolarHBondContact CA-O 3.44Å; N177-K181 PolarHBondContact OD1-O 2.96Å |
| 178 | D | 87.3 | Confident | 92.9 | Very high | 72 Ų | 72 | 74.3 Ų | 74.3 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | trans | -86.2 | 3.6 | 176.6 | 68.1 | 6.9 | 0 | 0 | 0 | 113.2 | Y176 Q180 K181 | Y176-D178 HydrophobicContact CE2-CB 4.06Å; D178-Q180 WeakPolarHBondContact OD1-CA 3.44Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.03Å; D178-Q180 PolarHBondContact OD1-N 3Å; D178-K181 PolarHBondContact N-O 2.79Å; D178-K181 VanDerWaalsContact N-O 3.07Å; D178-K181 PolarHBondContact OD1-N 2.89Å; D178-K181 VanDerWaalsContact OD1-O 3.06Å | ||
| 179 | G | 89.2 | Confident | 91 | Very high | 68 Ų | 68 | 79.9 Ų | 79.9 | 70% | 0.701 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 96.8 | -17 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N177 | N177-G179 VanDerWaalsContact C-N 3.26Å; N177-G179 WeakPolarHBondContact OD1-CA 3.01Å; N177-G179 PolarHBondContact OD1-N 2.85Å |
| 180 | Q | 91.1 | Very high | 88.9 | Confident | 172 Ų | 172 | 86.2 Ų | 86.2 | 80% | 0.804 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -116.9 | -37.2 | 178.3 | -60.8 | -176.7 | 6.9 | 0 | 0 | 112.3 | D178 | D178-Q180 WeakPolarHBondContact OD1-CA 3.44Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.03Å; D178-Q180 PolarHBondContact OD1-N 3Å |
| 181 | K | 92.6 | Very high | 86.2 | Confident | 78 Ų | 78 | 88.6 Ų | 88.6 | 34% | 0.339 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -154.6 | 167.5 | -176.1 | 61.6 | -174.6 | 178.6 | -175.5 | 0 | 111.4 | N177 D178 A183 | N177-K181 WeakPolarHBondContact CA-O 3.44Å; N177-K181 PolarHBondContact OD1-O 2.96Å; D178-K181 PolarHBondContact N-O 2.79Å; D178-K181 VanDerWaalsContact N-O 3.07Å; D178-K181 PolarHBondContact OD1-N 2.89Å; D178-K181 VanDerWaalsContact OD1-O 3.06Å; K181-A183 PolarHBondContact O-N 2.85Å |
| 182 | I | 93.8 | Very high | 83.3 | Confident | 132 Ų | 132 | 86.3 Ų | 86.3 | 68% | 0.677 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 117.3 | 167.7 | -59.1 | 174.7 | 0 | 0 | 0 | 107.9 | Y176 | Y176-I182 CarbonylContact O-C 3.45Å; Y176-I182 WeakPolarHBondContact O-CA 3.48Å |
| 183 | A | 92.7 | Very high | 80.6 | Confident | 20 Ų | 20 | 89.9 Ų | 89.9 | 17% | 0.165 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 159.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S175 Y176 K181 | S175-A183 CarbonylContact C-O 3.56Å; S175-A183 WeakPolarHBondContact CA-O 3.35Å; S175-A183 WeakPolarHBondContact CB-O 3.47Å; Y176-A183 HydrophobicContact CD1-CB 4.47Å; Y176-A183 HydrophobicContact CE1-CB 4.02Å; Y176-A183 HydrophobicContact CE2-CB 4.38Å; Y176-A183 PolarHBondContact N-O 2.97Å; Y176-A183 PolarHBondContact O-N 2.94Å; K181-A183 PolarHBondContact O-N 2.85Å |
| 184 | V | 94.9 | Very high | 78 | Confident | 76 Ų | 76 | 94.3 Ų | 94.3 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130 | 170.9 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | Q186 | V184-Q186 HydrophobicContact CG1-CG 4.02Å; V184-Q186 PolarHBondContact O-N 2.79Å |
| 185 | C | 96.5 | Very high | 75.1 | Confident | 1 Ų | 1 | 94.7 Ų | 94.7 | 1% | 0.007 | 53% | 0.528 | C | S | . | . | trans | -72.2 | 112.1 | -179.5 | -179.7 | 0 | 0 | 0 | 0 | 111.6 | F160 C163 V170 K171 G173 E174 Y176 | F160-C185 VanDerWaalsContact CZ-SG 3.57Å; C163-C185 HydrophobicContact CB-CB 3.83Å; C163-C185 WeakPolarHBondContact CB-SG 3.16Å; C163-C185 PolarHBondContact N-SG 3.02Å; C163-C185 WeakPolarHBondContact SG-CA 3.2Å; C163-C185 WeakPolarHBondContact SG-CB 3.35Å; C163-C185 CovalentContact SG-SG 2.05Å; C163-C185 PolarHBondContact SG-SG 3.36Å; V170-C185 HydrophobicContact CB-CB 4.45Å; V170-C185 HydrophobicContact CG1-CB 3.99Å; V170-C185 PolarHBondContact O-SG 3.31Å; K171-C185 WeakPolarHBondContact O-CB 3.3Å; G173-C185 PolarHBondContact N-O 2.95Å; E174-C185 PolarHBondContact O-N 2.94Å; Y176-C185 HydrophobicContact CD1-CB 4.22Å; Y176-C185 HydrophobicContact CE1-CB 3.98Å | ||
| 186 | Q | 94.9 | Very high | 72.7 | Confident | 92 Ų | 92 | 97 Ų | 97 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | trans | -144.5 | 142.9 | -178.4 | -63.6 | -173.2 | -18.1 | 0 | 0 | 111.9 | V184 G188 | V184-Q186 HydrophobicContact CG1-CG 4.02Å; V184-Q186 PolarHBondContact O-N 2.79Å; Q186-G188 PolarHBondContact O-N 3.21Å | ||
| 187 | E | 87.4 | Confident | 70.2 | Confident | 96 Ų | 96 | 104 Ų | 104 | 45% | 0.449 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -77.8 | 108.9 | 171.9 | -166.6 | 177.1 | -167.6 | 0 | 0 | 109.5 | K107 F147 F160 | K107-E187 IonicContact NZ-OE1 2.67Å; K107-E187 PolarHBondContact NZ-OE1 2.84Å; F147-E187 WeakPolarHBondContact CE1-OE1 3.26Å; F160-E187 HydrophobicContact CB-CB 4.12Å; F160-E187 HydrophobicContact CB-CG 3.97Å; F160-E187 WeakPolarHBondContact CB-OE2 3.5Å; F160-E187 HydrophobicContact CD1-CB 3.61Å; F160-E187 HydrophobicContact CD1-CG 4.38Å; F160-E187 HydrophobicContact CD2-CB 4.17Å; F160-E187 HydrophobicContact CD2-CG 4.3Å; F160-E187 HydrophobicContact CE1-CB 3.91Å; F160-E187 HydrophobicContact CE2-CB 4.46Å; F160-E187 HydrophobicContact CG-CB 3.71Å; F160-E187 HydrophobicContact CG-CG 3.98Å; F160-E187 HydrophobicContact CZ-CB 4.32Å |
| 188 | G | 72.3 | Confident | 67.9 | Low | 69 Ų | 69 | 106.5 Ų | 106.5 | 71% | 0.711 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 96.7 | 15.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q186 | Q186-G188 PolarHBondContact O-N 3.21Š|
| 189 | K | 55 | Low | 65.7 | Low | 151 Ų | 151 | 110.3 Ų | 110.3 | 66% | 0.657 | 60% | 0.601 | S | S | * | * | trans | -90.6 | 103.7 | 147.6 | -77.5 | -174.3 | -179.7 | 178.4 | 0 | 107.5 | S191 | K189-S191 PolarHBondContact O-N 3.37Š| ||
| 190 | K | 52.9 | Low | 63.2 | Low | 204 Ų | 204 | 116.2 Ų | 116.2 | 89% | 0.887 | 60% | 0.604 | S | S | * | * | trans | -42.9 | 118.4 | 149.5 | -106.1 | -176 | 177.9 | 179.6 | 0 | 104.3 | S192 | K190-S192 VanDerWaalsContact C-N 3.33Å; K190-S192 PolarHBondContact O-N 3.49Å | ||
| 191 | S | 41 | Very low | 60.8 | Low | 65 Ų | 65 | 113.9 Ų | 113.9 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | trans | -39.9 | 101.9 | -178.7 | 158.2 | 0 | 0 | 0 | 0 | 108.3 | K189 F193 | K189-S191 PolarHBondContact O-N 3.37Å; S191-F193 WeakPolarHBondContact O-CD2 3.44Å; S191-F193 PolarHBondContact O-N 3.47Å; S191-F193 WeakPolarHBondContact OG-CD2 3.2Å; S191-F193 VanDerWaalsContact OG-CE2 3.24Å; S191-F193 WeakPolarHBondContact OG-CE2 3.43Å | ||
| 192 | S | 36 | Very low | 58.3 | Low | 84 Ų | 84 | 113.4 Ų | 113.4 | 59% | 0.587 | 62% | 0.621 | S | S | * | * | trans | -73.5 | 94.9 | 170.8 | 64.4 | 0 | 0 | 0 | 0 | 102.6 | K190 N194 | K190-S192 VanDerWaalsContact C-N 3.33Å; K190-S192 PolarHBondContact O-N 3.49Å; S192-N194 VanDerWaalsContact C-N 3.26Å; S192-N194 PolarHBondContact O-N 3.42Å | ||
| 193 | F | 40.1 | Very low | 56.1 | Low | 147 Ų | 147 | 115.5 Ų | 115.5 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | trans | -59.6 | 101.9 | 167.2 | -73.4 | -89.3 | 0 | 0 | 0 | 105.6 | S191 S195 | S191-F193 WeakPolarHBondContact O-CD2 3.44Å; S191-F193 PolarHBondContact O-N 3.47Å; S191-F193 WeakPolarHBondContact OG-CD2 3.2Å; S191-F193 VanDerWaalsContact OG-CE2 3.24Å; S191-F193 WeakPolarHBondContact OG-CE2 3.43Å; F193-S195 PolarHBondContact O-N 3.46Å | ||
| 194 | N | 42.6 | Very low | 54 | Low | 145 Ų | 145 | 124 Ų | 124 | 78% | 0.775 | 67% | 0.669 | S | S | * | * | trans | -61.2 | 97 | 152.1 | -79.1 | -9.4 | 0 | 0 | 0 | 104 | S192 T196 | S192-N194 VanDerWaalsContact C-N 3.26Å; S192-N194 PolarHBondContact O-N 3.42Å; N194-T196 PolarHBondContact O-N 2.79Å | ||
| 195 | S | 36.5 | Very low | 51.5 | Low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | trans | -64.2 | 91.9 | 168.4 | 64 | 0 | 0 | 0 | 0 | 106.2 | F193 Q197 | F193-S195 PolarHBondContact O-N 3.46Å; S195-Q197 PolarHBondContact O-N 2.97Å | ||
| 196 | T | 45.3 | Very low | 49 | Very low | 128 Ų | 128 | 128 Ų | 128 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | -63.2 | 109.9 | 155 | -36.2 | 0 | 0 | 0 | 0 | 104.5 | N194 Q198 | N194-T196 PolarHBondContact O-N 2.79Å; T196-Q198 PolarHBondContact O-N 3.36Å | ||
| 197 | Q | 41.3 | Very low | 46.6 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -45.3 | 100.4 | 177.4 | -78.7 | 173.6 | -41.2 | 0 | 0 | 110 | S195 | S195-Q197 PolarHBondContact O-N 2.97Š| ||
| 198 | Q | 42.1 | Very low | 44.6 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | trans | -90.7 | 103.3 | 152.6 | -78.6 | -169.8 | -16 | 0 | 0 | 106.3 | T196 Y200 | T196-Q198 PolarHBondContact O-N 3.36Å; Q198-Y200 HydrophobicContact CB-CD2 4.28Å; Q198-Y200 HydrophobicContact CB-CE2 4.17Å; Q198-Y200 PolarHBondContact O-N 2.95Å | ||
| 199 | N | 41 | Very low | 43 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -50.1 | 106.5 | 163.8 | -91.3 | -38.8 | 0 | 0 | 0 | 109.1 | ||||
| 200 | Y | 37.1 | Very low | 42.7 | Very low | 191 Ų | 191 | 136.8 Ų | 136.8 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -115.1 | 124.3 | 156.3 | -81.2 | -81.4 | 0 | 0 | 0 | 107.7 | Q198 | Q198-Y200 HydrophobicContact CB-CD2 4.28Å; Q198-Y200 HydrophobicContact CB-CE2 4.17Å; Q198-Y200 PolarHBondContact O-N 2.95Å | ||
| 201 | P | 40.2 | Very low | 42 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -71.6 | 148.8 | 173.6 | 31.2 | -30.5 | 0 | 0 | 0 | 109.5 | ||||
| 202 | G | 40.7 | Very low | 42 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -76.9 | 170.7 | -157.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 203 | N | 47.8 | Very low | 42 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | -149.9 | 137 | 142.7 | -95.7 | -29.2 | 0 | 0 | 0 | 110.3 | ||||
| 204 | Q | 47.9 | Very low | 41.7 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -81.5 | 158.2 | -173.3 | -62.5 | 178.1 | -0 | 0 | 0 | 112.4 | ||||
| 205 | G | 42.6 | Very low | 41.3 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | 111.9 | 126.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 206 | G | 44.4 | Very low | 41.2 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | cis | -168.8 | 165.8 | 10.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 207 | K | 43.9 | Very low | 40.6 | Very low | 226 Ų | 226 | 137.9 Ų | 137.9 | 98% | 0.983 | 81% | 0.807 | S | S | * | * | trans | -61.7 | 137.1 | 179.1 | -81 | 169.5 | 167.7 | 173.9 | 0 | 112.6 | ||||
| 208 | G | 45.1 | Very low | 40.2 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -154.4 | 108 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 209 | S | 39.9 | Very low | 39.8 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -102.7 | 122.7 | 176.2 | 174.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 210 | H | 48.5 | Very low | 39.3 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | trans | -138.6 | 114.8 | 162 | -74.1 | -67.3 | 0 | 0 | 0 | 110.1 | ||||
| 211 | T | 38 | Very low | 39.3 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -73.5 | 166.8 | 162.5 | 15.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 212 | V | 41.5 | Very low | 39 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 70% | 0.697 | 82% | 0.815 | S | S | * | * | trans | 109.9 | 114.6 | 145.7 | -165.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 213 | H | 34.5 | Very low | 39.1 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | 45.4 | 127.8 | 148.8 | -57.6 | -47.3 | 0 | 0 | 0 | 122.9 | ||||
| 214 | S | 34.9 | Very low | 38.3 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -139.1 | 101.1 | 146.5 | -169 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 215 | T | 34.2 | Very low | 37.7 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -84.4 | 111.4 | 164.6 | 19.9 | 0 | 0 | 0 | 0 | 108.6 | T217 | T215-T217 PolarHBondContact O-N 3.32Š| ||
| 216 | S | 33.9 | Very low | 37.5 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -82.7 | 111.4 | 172.2 | -81.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 217 | T | 33.4 | Very low | 37 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 117.2 | 170.5 | -21.2 | 0 | 0 | 0 | 0 | 109 | T215 | T215-T217 PolarHBondContact O-N 3.32Š|
| 218 | V | 32.9 | Very low | 36.7 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 118.6 | 169.3 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | ||
| 219 | R | 32.6 | Very low | 36.3 | Very low | 232 Ų | 232 | 134 Ų | 134 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 128 | 173.9 | -76.6 | -178.1 | -178.7 | 176.2 | 0.6 | 110.3 | ||
| 220 | N | 32.1 | Very low | 35.9 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72 | 135.6 | 164.5 | -94.3 | -32.6 | 0 | 0 | 0 | 110.7 | ||
| 221 | P | 37 | Very low | 35.3 | Very low | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83 | 120 | 163.8 | 4.9 | 11.9 | 0 | 0 | 0 | 110.5 | ||
| 222 | T | 32.4 | Very low | 35.1 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 118.4 | 165.9 | -39.9 | 0 | 0 | 0 | 0 | 107.7 | ||
| 223 | N | 42.8 | Very low | 34.7 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | 174.6 | 121.8 | 143 | -83 | -20.7 | 0 | 0 | 0 | 109.9 | ||||
| 224 | G | 32.5 | Very low | 34.9 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | -79.7 | 144.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 225 | M | 35.1 | Very low | 35 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -117.2 | 146 | 173 | -161.4 | 165.5 | 174.6 | 0 | 0 | 109.5 | ||||
| 226 | P | 38.6 | Very low | 35.4 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -77.2 | 145.8 | -169.6 | -7.1 | 24.6 | 0 | 0 | 0 | 112.7 | ||||
| 227 | S | 33.9 | Very low | 36.1 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -66.3 | 126.6 | 176.5 | -173.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 228 | A | 38 | Very low | 37 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -106.3 | 133.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 229 | G | 36.4 | Very low | 37.7 | Very low | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -72.1 | 140.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 230 | G | 31.2 | Very low | 38.7 | Very low | 89 Ų | 89 | 119.2 Ų | 119.2 | 92% | 0.918 | 74% | 0.742 | S | S | * | * | 63.8 | 64.1 | 120.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 231 | A | 34.7 | Very low | 39.6 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | trans | -129.3 | 121.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L233 | A231-L233 PolarHBondContact O-N 3.5Š| ||
| 232 | Q | 35.8 | Very low | 40.9 | Very low | 211 Ų | 211 | 123.5 Ų | 123.5 | 99% | 0.986 | 74% | 0.737 | S | S | * | * | trans | -67.8 | 96.5 | 170 | -86.8 | -176.7 | -10.1 | 0 | 0 | 108.5 | ||||
| 233 | L | 33.1 | Very low | 42.6 | Very low | 145 Ų | 145 | 123 Ų | 123 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -78 | 124.9 | 168.7 | -70.9 | 167.8 | 0 | 0 | 0 | 108.8 | A231 | A231-L233 PolarHBondContact O-N 3.5Š|
| 234 | K | 37.3 | Very low | 44.3 | Very low | 188 Ų | 188 | 117 Ų | 117 | 82% | 0.817 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129.2 | 173.5 | -156 | 173.7 | -173.6 | 179.3 | 0 | 107.6 | T236 | K234-T236 PolarHBondContact O-N 3.4Š|
| 235 | P | 37.3 | Very low | 46.5 | Very low | 81 Ų | 81 | 115.8 Ų | 115.8 | 53% | 0.526 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 125.3 | -176.8 | 21.6 | -30.6 | 0 | 0 | 0 | 109.9 | M247 | P235-M247 HydrophobicContact CB-CB 4.34Å; P235-M247 HydrophobicContact CB-CG 4.31Å; P235-M247 HydrophobicContact CB-SD 4.17Å |
| 236 | T | 42.4 | Very low | 48.8 | Very low | 92 Ų | 92 | 108 Ų | 108 | 56% | 0.564 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 132 | 173.7 | -57.4 | 0 | 0 | 0 | 0 | 108.2 | K234 I238 | K234-T236 PolarHBondContact O-N 3.4Å; T236-I238 HydrophobicContact CG2-CG1 4.23Å; T236-I238 PolarHBondContact O-N 3.28Å |
| 237 | V | 48.7 | Very low | 50.9 | Low | 79 Ų | 79 | 104.4 Ų | 104.4 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | B | Isolated β-bridge | trans | -80.7 | 115.6 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | F245 | V237-F245 HydrophobicContact CB-CE2 4.28Å; V237-F245 HydrophobicContact CG1-CD2 4.19Å; V237-F245 HydrophobicContact CG1-CE2 3.72Å; V237-F245 HydrophobicContact CG2-CE2 3.56Å; V237-F245 HydrophobicContact CG2-CZ 3.73Å |
| 238 | I | 51.6 | Low | 53.2 | Low | 88 Ų | 88 | 102.3 Ų | 102.3 | 45% | 0.451 | 58% | 0.581 | S | S | . | * | trans | -105.8 | -16.7 | -167 | -68.6 | 160.5 | 0 | 0 | 0 | 114.1 | T236 D248 | T236-I238 HydrophobicContact CG2-CG1 4.23Å; T236-I238 PolarHBondContact O-N 3.28Å; I238-D248 HydrophobicContact CD1-CB 4.28Å; I238-D248 WeakPolarHBondContact CD1-OD1 3.3Å; I238-D248 WeakPolarHBondContact CD1-OD2 3.27Å | ||
| 239 | S | 48.5 | Very low | 55.1 | Low | 47 Ų | 47 | 98.6 Ų | 98.6 | 33% | 0.329 | 55% | 0.549 | S | S | . | . | trans | -165.6 | 140.3 | 175.3 | 177.5 | 0 | 0 | 0 | 0 | 111 | E241 | S239-E241 WeakPolarHBondContact OG-CG 3.23Š| ||
| 240 | L | 52.6 | Low | 56.8 | Low | 152 Ų | 152 | 99.4 Ų | 99.4 | 80% | 0.796 | 54% | 0.542 | S | S | * | . | trans | -106.9 | 62.2 | 174 | -145.2 | 114.9 | 0 | 0 | 0 | 108.7 | R242 | L240-R242 PolarHBondContact O-N 3.42Å; L240-R242 VanDerWaalsContact O-N 3.13Å | ||
| 241 | E | 52.3 | Low | 58.8 | Low | 132 Ų | 132 | 97.3 Ų | 97.3 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | trans | -78.1 | 95.7 | 173.7 | -85.8 | -178.8 | -166.1 | 0 | 0 | 110 | S239 N243 W244 | S239-E241 WeakPolarHBondContact OG-CG 3.23Å; E241-N243 PolarHBondContact O-N 3Å; E241-W244 PolarHBondContact O-N 3.5Å | ||
| 242 | R | 62.9 | Low | 60.7 | Low | 234 Ų | 234 | 99.6 Ų | 99.6 | 88% | 0.883 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 21.2 | 66.7 | 167.1 | -62.2 | -171.4 | -166.5 | -168.7 | 3.4 | 117.1 | L240 | L240-R242 PolarHBondContact O-N 3.42Å; L240-R242 VanDerWaalsContact O-N 3.13Å |
| 243 | N | 70 | Confident | 62.7 | Low | 114 Ų | 114 | 94.3 Ų | 94.3 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.9 | 3.7 | 173.5 | -53.5 | -1.6 | 0 | 0 | 0 | 115.2 | E241 N293 F294 | E241-N243 PolarHBondContact O-N 3Å; N243-N293 WeakPolarHBondContact O-CA 2.95Å; N243-N293 PolarHBondContact O-ND2 3.38Å; N243-F294 PolarHBondContact O-N 3.25Å; N243-F294 VanDerWaalsContact O-N 3.1Å |
| 244 | W | 77.9 | Confident | 65.2 | Low | 34 Ų | 34 | 87.8 Ų | 87.8 | 13% | 0.129 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.9 | 168.6 | -67.4 | 90.2 | 0 | 0 | 0 | 111.3 | E241 L278 F280 C291 I292 N293 | E241-W244 PolarHBondContact O-N 3.5Å; W244-L278 HydrophobicContact CH2-CB 4.5Å; W244-L278 HydrophobicContact CH2-CD2 3.83Å; W244-L278 HydrophobicContact CH2-CG 4.06Å; W244-F280 HydrophobicContact CH2-CB 4.26Å; W244-F280 HydrophobicContact CZ3-CB 3.99Å; W244-C291 HydrophobicContact CE3-CB 3.63Å; W244-C291 HydrophobicContact CZ3-CB 4.09Å; W244-I292 CarbonylContact C-O 3.53Å; W244-I292 WeakPolarHBondContact CA-O 3.5Å; W244-I292 VanDerWaalsContact CE3-C 3.46Å; W244-N293 HydrophobicContact CD2-CB 3.91Å; W244-N293 VanDerWaalsContact CE2-ND2 3.26Å; W244-N293 HydrophobicContact CE3-CB 3.76Å; W244-N293 HydrophobicContact CH2-CB 3.67Å; W244-N293 HydrophobicContact CZ2-CB 3.76Å; W244-N293 HydrophobicContact CZ3-CB 3.65Å; W244-N293 PolarHBondContact NE1-ND2 2.84Å |
| 245 | F | 78.6 | Confident | 67.5 | Low | 60 Ų | 60 | 78.8 Ų | 78.8 | 26% | 0.263 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 109.2 | 168.5 | 179.6 | -101.2 | 0 | 0 | 0 | 108.7 | V237 M247 C291 I292 F294 | V237-F245 HydrophobicContact CB-CE2 4.28Å; V237-F245 HydrophobicContact CG1-CD2 4.19Å; V237-F245 HydrophobicContact CG1-CE2 3.72Å; V237-F245 HydrophobicContact CG2-CE2 3.56Å; V237-F245 HydrophobicContact CG2-CZ 3.73Å; F245-M247 HydrophobicContact CD1-CE 4.15Å; F245-M247 HydrophobicContact CD1-CG 4.04Å; F245-M247 HydrophobicContact CD1-SD 4.39Å; F245-M247 HydrophobicContact CE1-CE 3.79Å; F245-M247 HydrophobicContact CE1-CG 3.37Å; F245-M247 HydrophobicContact CE1-SD 3.51Å; F245-M247 VanDerWaalsContact CE1-SD 3.51Å; F245-M247 HydrophobicContact CZ-CG 3.94Å; F245-M247 HydrophobicContact CZ-SD 4.24Å; F245-C291 CarbonylContact O-C 3.53Å; F245-C291 WeakPolarHBondContact O-CA 3.46Å; F245-I292 HydrophobicContact CD1-CD1 4.36Å; F245-I292 PolarHBondContact N-O 2.65Å; F245-I292 PolarHBondContact O-N 3.34Å; F245-F294 HydrophobicContact CB-CD2 4.15Å; F245-F294 HydrophobicContact CB-CE2 3.53Å; F245-F294 HydrophobicContact CG-CE2 4.21Å |
| 246 | C | 83.5 | Confident | 70 | Confident | 21 Ų | 21 | 79.1 Ų | 79.1 | 14% | 0.142 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.2 | -177 | -64.3 | 0 | 0 | 0 | 0 | 110.8 | T289 L290 C291 | C246-T289 HydrophobicContact CB-CG2 3.63Å; C246-L290 CarbonylContact C-O 3.52Å; C246-L290 VanDerWaalsContact CA-O 3.26Å; C246-L290 WeakPolarHBondContact CA-O 3.49Å; C246-C291 HydrophobicContact CB-CB 4.2Å; C246-C291 WeakPolarHBondContact CB-SG 3.41Å; C246-C291 WeakPolarHBondContact SG-CB 3.49Å; C246-C291 CovalentContact SG-SG 2.05Å; C246-C291 PolarHBondContact SG-SG 3.06Å |
| 247 | M | 82.6 | Confident | 72.2 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 22% | 0.217 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.6 | 174.6 | -66.5 | 179.6 | -78.3 | 0 | 0 | 109.2 | P235 F245 S249 T289 L290 I292 | P235-M247 HydrophobicContact CB-CB 4.34Å; P235-M247 HydrophobicContact CB-CG 4.31Å; P235-M247 HydrophobicContact CB-SD 4.17Å; F245-M247 HydrophobicContact CD1-CE 4.15Å; F245-M247 HydrophobicContact CD1-CG 4.04Å; F245-M247 HydrophobicContact CD1-SD 4.39Å; F245-M247 HydrophobicContact CE1-CE 3.79Å; F245-M247 HydrophobicContact CE1-CG 3.37Å; F245-M247 HydrophobicContact CE1-SD 3.51Å; F245-M247 VanDerWaalsContact CE1-SD 3.51Å; F245-M247 HydrophobicContact CZ-CG 3.94Å; F245-M247 HydrophobicContact CZ-SD 4.24Å; M247-S249 PolarHBondContact O-N 3.01Å; M247-T289 CarbonylContact O-C 3.59Å; M247-T289 WeakPolarHBondContact O-CA 2.96Å; M247-T289 WeakPolarHBondContact O-CG2 3.49Å; M247-L290 HydrophobicContact CE-CD2 4.22Å; M247-L290 PolarHBondContact N-O 2.81Å; M247-L290 PolarHBondContact O-N 3.45Å; M247-I292 HydrophobicContact CE-CD1 3.75Å |
| 248 | D | 81.7 | Confident | 73.9 | Confident | 81 Ų | 81 | 76.3 Ų | 76.3 | 43% | 0.433 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 133.7 | 170.4 | -78.7 | -11.7 | 0 | 0 | 0 | 110.8 | I238 T289 | I238-D248 HydrophobicContact CD1-CB 4.28Å; I238-D248 WeakPolarHBondContact CD1-OD1 3.3Å; I238-D248 WeakPolarHBondContact CD1-OD2 3.27Å; D248-T289 PolarHBondContact OD1-OG1 2.89Å |
| 249 | S | 78.3 | Confident | 75.5 | Confident | 20 Ų | 20 | 73.7 Ų | 73.7 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | trans | -82.4 | 139.3 | 165.9 | -160.8 | 0 | 0 | 0 | 0 | 109 | M247 I251 A254 C255 Q256 A288 | M247-S249 PolarHBondContact O-N 3.01Å; S249-I251 PolarHBondContact O-N 2.93Å; S249-I251 VanDerWaalsContact O-N 3.12Å; S249-A254 PolarHBondContact OG-O 3.39Å; S249-A254 VanDerWaalsContact OG-O 3.11Å; S249-C255 WeakPolarHBondContact OG-CA 3.44Å; S249-Q256 PolarHBondContact OG-N 2.03Å; S249-A288 WeakPolarHBondContact CB-O 3.45Å; S249-A288 PolarHBondContact N-O 3.41Å | ||
| 250 | S | 71.3 | Confident | 77.2 | Confident | 97 Ų | 97 | 77.6 Ų | 77.6 | 68% | 0.678 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -65.9 | -7.6 | 171.2 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 251 | I | 73.9 | Confident | 78.9 | Confident | 45 Ų | 45 | 73.9 Ų | 73.9 | 23% | 0.231 | 41% | 0.41 | C | S | . | . | trans | -115.7 | 124.5 | -174.6 | -61.7 | 166.9 | 0 | 0 | 0 | 108.6 | S249 T253 A254 Q256 A288 | S249-I251 PolarHBondContact O-N 2.93Å; S249-I251 VanDerWaalsContact O-N 3.12Å; I251-T253 PolarHBondContact O-N 3.16Å; I251-A254 WeakPolarHBondContact CB-O 3.26Å; I251-A254 HydrophobicContact CG2-CB 4.46Å; I251-Q256 HydrophobicContact CD1-CB 4.09Å; I251-Q256 HydrophobicContact CD1-CG 3.58Å; I251-Q256 VanDerWaalsContact CD1-OE1 3.22Å; I251-A288 VanDerWaalsContact O-CB 3.24Å; I251-A288 WeakPolarHBondContact O-CB 3.37Å | ||
| 252 | L | 74.5 | Confident | 80.5 | Confident | 126 Ų | 126 | 73.9 Ų | 73.9 | 66% | 0.66 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.9 | -177.4 | -70.6 | 169.6 | 0 | 0 | 0 | 113.5 | ||
| 253 | T | 78.7 | Confident | 81.7 | Confident | 101 Ų | 101 | 69 Ų | 69 | 62% | 0.62 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -7.7 | -168.4 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | I251 L268 | I251-T253 PolarHBondContact O-N 3.16Å; T253-L268 WeakPolarHBondContact O-CG 3.28Å |
| 254 | A | 84.1 | Confident | 82.5 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 158.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | S249 I251 T265 L266 | S249-A254 PolarHBondContact OG-O 3.39Å; S249-A254 VanDerWaalsContact OG-O 3.11Å; I251-A254 WeakPolarHBondContact CB-O 3.26Å; I251-A254 HydrophobicContact CG2-CB 4.46Å; A254-T265 HydrophobicContact CB-CG2 3.83Å; A254-L266 CarbonylContact C-O 3.44Å; A254-L266 VanDerWaalsContact CA-O 3.25Å; A254-L266 WeakPolarHBondContact CA-O 3.39Å; A254-L266 WeakPolarHBondContact CB-O 3.45Å |
| 255 | C | 87.2 | Confident | 83 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 109.7 | 172 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | S249 T265 L266 C281 T289 L290 | S249-C255 WeakPolarHBondContact OG-CA 3.44Å; C255-T265 CarbonylContact O-C 3.48Å; C255-T265 WeakPolarHBondContact O-CA 3.49Å; C255-L266 HydrophobicContact CB-CB 4.42Å; C255-L266 PolarHBondContact N-O 3.08Å; C255-L266 PolarHBondContact O-N 3.38Å; C255-C281 HydrophobicContact CB-CB 3.55Å; C255-C281 WeakPolarHBondContact CB-SG 3.44Å; C255-C281 PolarHBondContact N-SG 2.81Å; C255-C281 WeakPolarHBondContact SG-CA 3.27Å; C255-C281 WeakPolarHBondContact SG-CB 3.39Å; C255-C281 CovalentContact SG-SG 2.04Å; C255-C281 PolarHBondContact SG-SG 3.35Å; C255-T289 VanDerWaalsContact SG-C 3.56Å; C255-L290 HydrophobicContact CB-CB 3.9Å; C255-L290 HydrophobicContact CB-CD1 3.87Å; C255-L290 HydrophobicContact CB-CG 4.42Å; C255-L290 PolarHBondContact SG-N 3.02Å |
| 256 | Q | 88.4 | Confident | 83.3 | Confident | 88 Ų | 88 | 65 Ų | 65 | 41% | 0.411 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.5 | 169.8 | -69.9 | -172.6 | -1.9 | 0 | 0 | 110.9 | S249 I251 Y264 T265 | S249-Q256 PolarHBondContact OG-N 2.03Å; I251-Q256 HydrophobicContact CD1-CB 4.09Å; I251-Q256 HydrophobicContact CD1-CG 3.58Å; I251-Q256 VanDerWaalsContact CD1-OE1 3.22Å; Q256-Y264 WeakPolarHBondContact CA-O 3.44Å; Q256-T265 HydrophobicContact CG-CG2 3.96Å |
| 257 | F | 88.2 | Confident | 83.3 | Confident | 21 Ų | 21 | 68.4 Ų | 68.4 | 9% | 0.092 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 164.8 | 178.9 | 58.6 | -79.1 | 0 | 0 | 0 | 111.4 | V259 Q263 Y264 L266 I274 F279 L290 | F257-V259 HydrophobicContact CD2-CG2 3.65Å; F257-V259 HydrophobicContact CE2-CG2 3.68Å; F257-Q263 CarbonylContact O-C 3.59Å; F257-Y264 HydrophobicContact CD2-CD2 4.46Å; F257-Y264 HydrophobicContact CE2-CD2 4.14Å; F257-Y264 HydrophobicContact CE2-CG 4.1Å; F257-Y264 HydrophobicContact CZ-CG 4.24Å; F257-Y264 PolarHBondContact N-O 3.45Å; F257-Y264 PolarHBondContact O-N 2.92Å; F257-L266 HydrophobicContact CE1-CB 4.42Å; F257-L266 HydrophobicContact CE1-CD1 3.58Å; F257-L266 HydrophobicContact CE1-CG 3.72Å; F257-L266 HydrophobicContact CZ-CD1 3.77Å; F257-L266 HydrophobicContact CZ-CG 4.11Å; F257-I274 HydrophobicContact CE2-CD1 3.5Å; F257-I274 HydrophobicContact CZ-CD1 3.75Å; F257-F279 AromaticContact CD2-CD1 3.69Å; F257-F279 HydrophobicContact CD2-CD1 3.69Å; F257-F279 AromaticContact CD2-CE1 3.84Å; F257-F279 HydrophobicContact CD2-CE1 3.84Å; F257-F279 HydrophobicContact CE1-CB 4.45Å; F257-F279 HydrophobicContact CE1-CD1 4.48Å; F257-F279 HydrophobicContact CE2-CB 4.07Å; F257-F279 AromaticContact CE2-CD1 3.14Å; F257-F279 HydrophobicContact CE2-CD1 3.14Å; F257-F279 HydrophobicContact CE2-CD2 4.37Å; F257-F279 AromaticContact CE2-CE1 3.57Å; F257-F279 HydrophobicContact CE2-CE1 3.57Å; F257-F279 AromaticContact CE2-CG 3.6Å; F257-F279 HydrophobicContact CE2-CG 3.6Å; F257-F279 HydrophobicContact CE2-CZ 4.37Å; F257-F279 HydrophobicContact CZ-CB 3.65Å; F257-F279 AromaticContact CZ-CD1 3.62Å; F257-F279 HydrophobicContact CZ-CD1 3.62Å; F257-F279 HydrophobicContact CZ-CE1 4.47Å; F257-F279 AromaticContact CZ-CG 3.74Å; F257-F279 HydrophobicContact CZ-CG 3.74Å; F257-L290 HydrophobicContact CB-CD2 3.36Å; F257-L290 HydrophobicContact CD1-CD1 3.61Å; F257-L290 HydrophobicContact CD1-CD2 3.33Å; F257-L290 HydrophobicContact CD1-CG 4.1Å; F257-L290 HydrophobicContact CD2-CD2 3.91Å; F257-L290 HydrophobicContact CE1-CD1 3.53Å; F257-L290 HydrophobicContact CE1-CD2 4.06Å; F257-L290 HydrophobicContact CE1-CG 4.46Å; F257-L290 HydrophobicContact CG-CD1 4.3Å; F257-L290 HydrophobicContact CG-CD2 3.25Å; F257-L290 HydrophobicContact CG-CG 4.41Å; F257-L290 HydrophobicContact CZ-CD1 4.16Å |
| 258 | T | 85.7 | Confident | 83.2 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.1 | -178.7 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | K262 | T258-K262 CarbonylContact C-O 3.56Å; T258-K262 VanDerWaalsContact CA-O 3.27Å; T258-K262 WeakPolarHBondContact CA-O 3.47Å; T258-K262 WeakPolarHBondContact CG2-O 3.24Å |
| 259 | V | 84.9 | Confident | 83 | Confident | 33 Ų | 33 | 67.3 Ų | 67.3 | 20% | 0.2 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.3 | 173.5 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | F257 G261 K262 Y264 I274 F279 | F257-V259 HydrophobicContact CD2-CG2 3.65Å; F257-V259 HydrophobicContact CE2-CG2 3.68Å; V259-G261 VanDerWaalsContact C-N 3.27Å; V259-G261 PolarHBondContact O-N 3.34Å; V259-K262 PolarHBondContact N-O 3.5Å; V259-K262 PolarHBondContact O-N 2.02Å; V259-Y264 HydrophobicContact CB-CD2 4.26Å; V259-Y264 HydrophobicContact CB-CE2 3.8Å; V259-Y264 HydrophobicContact CG2-CD2 4.15Å; V259-Y264 HydrophobicContact CG2-CE2 4.14Å; V259-I274 HydrophobicContact CB-CG2 4.21Å; V259-I274 HydrophobicContact CG1-CG2 4.01Å; V259-I274 HydrophobicContact CG2-CD1 4.21Å; V259-I274 HydrophobicContact CG2-CG2 4.44Å; V259-F279 HydrophobicContact CG1-CZ 4.45Å; V259-F279 HydrophobicContact CG2-CE1 3.68Å; V259-F279 HydrophobicContact CG2-CE2 4.32Å; V259-F279 HydrophobicContact CG2-CZ 3.56Å |
| 260 | S | 85.2 | Confident | 83.1 | Confident | 129 Ų | 129 | 69.7 Ų | 69.7 | 90% | 0.902 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 42.5 | -179.4 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | K262 | S260-K262 PolarHBondContact O-N 3.44Š|
| 261 | G | 86.7 | Confident | 83.6 | Confident | 74 Ų | 74 | 65.6 Ų | 65.6 | 76% | 0.763 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -10 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V259 | V259-G261 VanDerWaalsContact C-N 3.27Å; V259-G261 PolarHBondContact O-N 3.34Å |
| 262 | K | 85.6 | Confident | 84 | Confident | 132 Ų | 132 | 66 Ų | 66 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128.9 | 176 | -174.6 | 167.7 | 176.5 | -179.2 | 0 | 110.8 | T258 V259 S260 Y264 | T258-K262 CarbonylContact C-O 3.56Å; T258-K262 VanDerWaalsContact CA-O 3.27Å; T258-K262 WeakPolarHBondContact CA-O 3.47Å; T258-K262 WeakPolarHBondContact CG2-O 3.24Å; V259-K262 PolarHBondContact N-O 3.5Å; V259-K262 PolarHBondContact O-N 2.02Å; S260-K262 PolarHBondContact O-N 3.44Å; K262-Y264 HydrophobicContact CB-CE2 3.84Å; K262-Y264 HydrophobicContact CD-CE1 4.46Å; K262-Y264 HydrophobicContact CD-CE2 4.38Å; K262-Y264 HydrophobicContact CG-CE2 3.9Å; K262-Y264 WeakPolarHBondContact O-CD2 3.15Å; K262-Y264 WeakPolarHBondContact O-CE2 3.12Å |
| 263 | Q | 88.9 | Confident | 84.4 | Confident | 132 Ų | 132 | 63.6 Ų | 63.6 | 62% | 0.617 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.3 | 176.8 | -164.1 | 178.4 | 28.7 | 0 | 0 | 110.5 | F257 | F257-Q263 CarbonylContact O-C 3.59Å |
| 264 | Y | 87.3 | Confident | 84.6 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 17% | 0.165 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 149.2 | 177.3 | -63.3 | -93.4 | 0 | 0 | 0 | 109.3 | Q256 F257 V259 K262 I274 | Q256-Y264 WeakPolarHBondContact CA-O 3.44Å; F257-Y264 HydrophobicContact CD2-CD2 4.46Å; F257-Y264 HydrophobicContact CE2-CD2 4.14Å; F257-Y264 HydrophobicContact CE2-CG 4.1Å; F257-Y264 HydrophobicContact CZ-CG 4.24Å; F257-Y264 PolarHBondContact N-O 3.45Å; F257-Y264 PolarHBondContact O-N 2.92Å; V259-Y264 HydrophobicContact CB-CD2 4.26Å; V259-Y264 HydrophobicContact CB-CE2 3.8Å; V259-Y264 HydrophobicContact CG2-CD2 4.15Å; V259-Y264 HydrophobicContact CG2-CE2 4.14Å; K262-Y264 HydrophobicContact CB-CE2 3.84Å; K262-Y264 HydrophobicContact CD-CE1 4.46Å; K262-Y264 HydrophobicContact CD-CE2 4.38Å; K262-Y264 HydrophobicContact CG-CE2 3.9Å; K262-Y264 WeakPolarHBondContact O-CD2 3.15Å; K262-Y264 WeakPolarHBondContact O-CE2 3.12Å; Y264-I274 HydrophobicContact CD1-CD1 3.52Å; Y264-I274 HydrophobicContact CD1-CG1 4.25Å; Y264-I274 HydrophobicContact CD2-CD1 3.88Å; Y264-I274 HydrophobicContact CE1-CD1 3.61Å; Y264-I274 HydrophobicContact CE1-CG1 3.93Å; Y264-I274 HydrophobicContact CE1-CG2 4.5Å; Y264-I274 HydrophobicContact CE2-CD1 3.97Å; Y264-I274 HydrophobicContact CE2-CG2 4.39Å; Y264-I274 HydrophobicContact CG-CD1 3.67Å |
| 265 | T | 88 | Confident | 84.6 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 120.1 | 172.4 | -57 | 0 | 0 | 0 | 0 | 108.2 | A254 C255 Q256 | A254-T265 HydrophobicContact CB-CG2 3.83Å; C255-T265 CarbonylContact O-C 3.48Å; C255-T265 WeakPolarHBondContact O-CA 3.49Å; Q256-T265 HydrophobicContact CG-CG2 3.96Å |
| 266 | L | 85.4 | Confident | 84.4 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 5% | 0.047 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 128.2 | 174.3 | -68.4 | 176.2 | 0 | 0 | 0 | 110.1 | A254 C255 F257 Q272 F279 C281 L290 | A254-L266 CarbonylContact C-O 3.44Å; A254-L266 VanDerWaalsContact CA-O 3.25Å; A254-L266 WeakPolarHBondContact CA-O 3.39Å; A254-L266 WeakPolarHBondContact CB-O 3.45Å; C255-L266 HydrophobicContact CB-CB 4.42Å; C255-L266 PolarHBondContact N-O 3.08Å; C255-L266 PolarHBondContact O-N 3.38Å; F257-L266 HydrophobicContact CE1-CB 4.42Å; F257-L266 HydrophobicContact CE1-CD1 3.58Å; F257-L266 HydrophobicContact CE1-CG 3.72Å; F257-L266 HydrophobicContact CZ-CD1 3.77Å; F257-L266 HydrophobicContact CZ-CG 4.11Å; L266-Q272 HydrophobicContact CD1-CB 4.46Å; L266-Q272 HydrophobicContact CD2-CB 3.53Å; L266-F279 HydrophobicContact CD1-CB 3.81Å; L266-C281 HydrophobicContact CB-CB 3.75Å; L266-L290 HydrophobicContact CD1-CD1 4.13Å |
| 267 | N | 82.1 | Confident | 84.2 | Confident | 93 Ų | 93 | 68.2 Ų | 68.2 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 156.9 | 171.4 | -68.5 | -29.6 | 0 | 0 | 0 | 110.7 | G269 Y270 C281 | N267-G269 PolarHBondContact O-N 3.29Å; N267-Y270 HydrophobicContact CB-CD2 3.49Å; N267-Y270 VanDerWaalsContact CB-CD2 3.49Å; N267-Y270 HydrophobicContact CB-CE2 3.84Å; N267-Y270 HydrophobicContact CB-CG 4.04Å; N267-Y270 VanDerWaalsContact O-CB 3.3Å; N267-Y270 WeakPolarHBondContact O-CB 3.22Å; N267-Y270 PolarHBondContact O-N 2.89Å; N267-C281 WeakPolarHBondContact O-CB 3.37Å |
| 268 | L | 81.7 | Confident | 84.1 | Confident | 64 Ų | 64 | 67.5 Ų | 67.5 | 34% | 0.335 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 128.4 | 176 | -66.6 | 177.4 | 0 | 0 | 0 | 112.3 | T253 Y270 T283 A288 | T253-L268 WeakPolarHBondContact O-CG 3.28Å; L268-Y270 VanDerWaalsContact C-N 3.29Å; L268-Y270 VanDerWaalsContact O-CD2 3.3Å; L268-Y270 WeakPolarHBondContact O-CD2 3.24Å; L268-T283 HydrophobicContact CB-CG2 3.56Å; L268-T283 HydrophobicContact CD1-CG2 3.57Å; L268-T283 HydrophobicContact CD2-CG2 3.38Å; L268-T283 HydrophobicContact CG-CG2 3.63Å; L268-A288 HydrophobicContact CD2-CB 3.36Å |
| 269 | G | 78 | Confident | 84.3 | Confident | 37 Ų | 37 | 63.6 Ų | 63.6 | 38% | 0.381 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -1.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N267 F280 C281 | N267-G269 PolarHBondContact O-N 3.29Å; G269-F280 WeakPolarHBondContact O-CE2 3.03Å; G269-C281 WeakPolarHBondContact CA-O 3.48Å; G269-C281 PolarHBondContact N-O 2.94Å |
| 270 | Y | 79.3 | Confident | 84.4 | Confident | 71 Ų | 71 | 63.9 Ų | 63.9 | 28% | 0.278 | 36% | 0.359 | S | S | . | . | trans | -94.4 | 142.7 | -179.6 | -70.3 | -114.9 | 0 | 0 | 0 | 110.9 | P99 N267 L268 C281 | P99-Y270 WeakPolarHBondContact O-CE1 3.01Å; N267-Y270 HydrophobicContact CB-CD2 3.49Å; N267-Y270 VanDerWaalsContact CB-CD2 3.49Å; N267-Y270 HydrophobicContact CB-CE2 3.84Å; N267-Y270 HydrophobicContact CB-CG 4.04Å; N267-Y270 VanDerWaalsContact O-CB 3.3Å; N267-Y270 WeakPolarHBondContact O-CB 3.22Å; N267-Y270 PolarHBondContact O-N 2.89Å; L268-Y270 VanDerWaalsContact C-N 3.29Å; L268-Y270 VanDerWaalsContact O-CD2 3.3Å; L268-Y270 WeakPolarHBondContact O-CD2 3.24Å; Y270-C281 PolarHBondContact O-N 3.07Å | ||
| 271 | G | 81.5 | Confident | 84.6 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F279 | G271-F279 CarbonylContact C-O 3.57Å; G271-F279 WeakPolarHBondContact CA-O 3.17Å |
| 272 | Q | 83.2 | Confident | 84.6 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 136.8 | 174 | -173.6 | 173.5 | 17.2 | 0 | 0 | 109.7 | L266 I274 F279 | L266-Q272 HydrophobicContact CD1-CB 4.46Å; L266-Q272 HydrophobicContact CD2-CB 3.53Å; Q272-I274 HydrophobicContact CG-CG1 4.37Å; Q272-F279 PolarHBondContact N-O 2.99Å; Q272-F279 WeakPolarHBondContact O-CB 3Å; Q272-F279 PolarHBondContact O-N 2.81Å |
| 273 | W | 81.9 | Confident | 84.3 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 29% | 0.288 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130 | 170.7 | -73.3 | 91.8 | 0 | 0 | 0 | 109.5 | Y115 E276 N277 L278 | Y115-W273 HydrophobicContact CD2-CB 3.68Å; Y115-W273 HydrophobicContact CE2-CB 4.16Å; W273-E276 WeakPolarHBondContact CZ3-O 3.27Å; W273-N277 WeakPolarHBondContact CA-O 3.27Å; W273-L278 HydrophobicContact CD2-CB 3.95Å; W273-L278 HydrophobicContact CD2-CD1 4.15Å; W273-L278 HydrophobicContact CE3-CB 3.94Å; W273-L278 HydrophobicContact CG-CD1 4.12Å; W273-L278 HydrophobicContact CH2-CB 3.85Å; W273-L278 HydrophobicContact CZ2-CB 3.86Å; W273-L278 HydrophobicContact CZ2-CD2 4.06Å; W273-L278 HydrophobicContact CZ2-CG 4.37Å; W273-L278 HydrophobicContact CZ3-CB 3.89Å |
| 274 | I | 83 | Confident | 83.9 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 11% | 0.108 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 106 | 173.8 | -58.1 | 163.7 | 0 | 0 | 0 | 107 | F257 V259 Y264 Q272 N277 F279 | F257-I274 HydrophobicContact CE2-CD1 3.5Å; F257-I274 HydrophobicContact CZ-CD1 3.75Å; V259-I274 HydrophobicContact CB-CG2 4.21Å; V259-I274 HydrophobicContact CG1-CG2 4.01Å; V259-I274 HydrophobicContact CG2-CD1 4.21Å; V259-I274 HydrophobicContact CG2-CG2 4.44Å; Y264-I274 HydrophobicContact CD1-CD1 3.52Å; Y264-I274 HydrophobicContact CD1-CG1 4.25Å; Y264-I274 HydrophobicContact CD2-CD1 3.88Å; Y264-I274 HydrophobicContact CE1-CD1 3.61Å; Y264-I274 HydrophobicContact CE1-CG1 3.93Å; Y264-I274 HydrophobicContact CE1-CG2 4.5Å; Y264-I274 HydrophobicContact CE2-CD1 3.97Å; Y264-I274 HydrophobicContact CE2-CG2 4.39Å; Y264-I274 HydrophobicContact CG-CD1 3.67Å; Q272-I274 HydrophobicContact CG-CG1 4.37Å; I274-N277 PolarHBondContact N-O 3.42Å; I274-N277 PolarHBondContact O-N 2.76Å; I274-F279 HydrophobicContact CB-CD2 3.8Å; I274-F279 HydrophobicContact CB-CE2 3.63Å; I274-F279 HydrophobicContact CD1-CD2 3.75Å; I274-F279 HydrophobicContact CD1-CE2 4.08Å; I274-F279 HydrophobicContact CD1-CG 4.08Å; I274-F279 HydrophobicContact CG1-CD2 3.98Å; I274-F279 HydrophobicContact CG1-CE2 4.26Å; I274-F279 HydrophobicContact CG2-CE2 4.45Å |
| 275 | G | 85.7 | Confident | 83.5 | Confident | 44 Ų | 44 | 59.9 Ų | 59.9 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -130.9 | -166 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 276 | E | 82.6 | Confident | 83 | Confident | 180 Ų | 180 | 60 Ų | 60 | 84% | 0.841 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -1.7 | -179.2 | -61.1 | -175.2 | 163.2 | 0 | 0 | 113.7 | W273 | W273-E276 WeakPolarHBondContact CZ3-O 3.27Š|
| 277 | N | 83.4 | Confident | 82.8 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.5 | -175.8 | -56.5 | -69.5 | 0 | 0 | 0 | 111.2 | W273 I274 F279 I292 N293 | W273-N277 WeakPolarHBondContact CA-O 3.27Å; I274-N277 PolarHBondContact N-O 3.42Å; I274-N277 PolarHBondContact O-N 2.76Å; N277-F279 HydrophobicContact CB-CD2 4.47Å; N277-F279 HydrophobicContact CB-CE2 3.81Å; N277-F279 HydrophobicContact CB-CZ 4.4Å; N277-I292 HydrophobicContact CB-CG2 4.09Å; N277-N293 PolarHBondContact OD1-O 3.12Å |
| 278 | L | 86.6 | Confident | 82.7 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 117.9 | 172.4 | 176.7 | 58.5 | 0 | 0 | 0 | 109.6 | W244 W273 I292 N293 | W244-L278 HydrophobicContact CH2-CB 4.5Å; W244-L278 HydrophobicContact CH2-CD2 3.83Å; W244-L278 HydrophobicContact CH2-CG 4.06Å; W273-L278 HydrophobicContact CD2-CB 3.95Å; W273-L278 HydrophobicContact CD2-CD1 4.15Å; W273-L278 HydrophobicContact CE3-CB 3.94Å; W273-L278 HydrophobicContact CG-CD1 4.12Å; W273-L278 HydrophobicContact CH2-CB 3.85Å; W273-L278 HydrophobicContact CZ2-CB 3.86Å; W273-L278 HydrophobicContact CZ2-CD2 4.06Å; W273-L278 HydrophobicContact CZ2-CG 4.37Å; W273-L278 HydrophobicContact CZ3-CB 3.89Å; L278-I292 WeakPolarHBondContact O-CA 2.92Å; L278-N293 HydrophobicContact CB-CB 4.17Å; L278-N293 PolarHBondContact O-N 3.36Å |
| 279 | F | 89 | Confident | 82.9 | Confident | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 131.9 | 171.9 | -65 | -102.2 | 0 | 0 | 0 | 108.2 | F257 V259 L266 G271 Q272 I274 N277 L290 C291 I292 | F257-F279 AromaticContact CD2-CD1 3.69Å; F257-F279 HydrophobicContact CD2-CD1 3.69Å; F257-F279 AromaticContact CD2-CE1 3.84Å; F257-F279 HydrophobicContact CD2-CE1 3.84Å; F257-F279 HydrophobicContact CE1-CB 4.45Å; F257-F279 HydrophobicContact CE1-CD1 4.48Å; F257-F279 HydrophobicContact CE2-CB 4.07Å; F257-F279 AromaticContact CE2-CD1 3.14Å; F257-F279 HydrophobicContact CE2-CD1 3.14Å; F257-F279 HydrophobicContact CE2-CD2 4.37Å; F257-F279 AromaticContact CE2-CE1 3.57Å; F257-F279 HydrophobicContact CE2-CE1 3.57Å; F257-F279 AromaticContact CE2-CG 3.6Å; F257-F279 HydrophobicContact CE2-CG 3.6Å; F257-F279 HydrophobicContact CE2-CZ 4.37Å; F257-F279 HydrophobicContact CZ-CB 3.65Å; F257-F279 AromaticContact CZ-CD1 3.62Å; F257-F279 HydrophobicContact CZ-CD1 3.62Å; F257-F279 HydrophobicContact CZ-CE1 4.47Å; F257-F279 AromaticContact CZ-CG 3.74Å; F257-F279 HydrophobicContact CZ-CG 3.74Å; V259-F279 HydrophobicContact CG1-CZ 4.45Å; V259-F279 HydrophobicContact CG2-CE1 3.68Å; V259-F279 HydrophobicContact CG2-CE2 4.32Å; V259-F279 HydrophobicContact CG2-CZ 3.56Å; L266-F279 HydrophobicContact CD1-CB 3.81Å; G271-F279 CarbonylContact C-O 3.57Å; G271-F279 WeakPolarHBondContact CA-O 3.17Å; Q272-F279 PolarHBondContact N-O 2.99Å; Q272-F279 WeakPolarHBondContact O-CB 3Å; Q272-F279 PolarHBondContact O-N 2.81Å; I274-F279 HydrophobicContact CB-CD2 3.8Å; I274-F279 HydrophobicContact CB-CE2 3.63Å; I274-F279 HydrophobicContact CD1-CD2 3.75Å; I274-F279 HydrophobicContact CD1-CE2 4.08Å; I274-F279 HydrophobicContact CD1-CG 4.08Å; I274-F279 HydrophobicContact CG1-CD2 3.98Å; I274-F279 HydrophobicContact CG1-CE2 4.26Å; I274-F279 HydrophobicContact CG2-CE2 4.45Å; N277-F279 HydrophobicContact CB-CD2 4.47Å; N277-F279 HydrophobicContact CB-CE2 3.81Å; N277-F279 HydrophobicContact CB-CZ 4.4Å; F279-L290 HydrophobicContact CB-CD1 4.25Å; F279-L290 HydrophobicContact CD1-CD1 4.39Å; F279-L290 HydrophobicContact CD1-CD2 4.42Å; F279-C291 CarbonylContact C-O 3.39Å; F279-C291 WeakPolarHBondContact CA-O 3.25Å; F279-I292 HydrophobicContact CD1-CD1 4Å; F279-I292 HydrophobicContact CD1-CG1 3.68Å; F279-I292 HydrophobicContact CD1-CG2 4.35Å; F279-I292 HydrophobicContact CE1-CB 4.48Å; F279-I292 HydrophobicContact CE1-CD1 3.52Å; F279-I292 HydrophobicContact CE1-CG1 3.69Å; F279-I292 HydrophobicContact CE1-CG2 4.03Å; F279-I292 HydrophobicContact CE2-CG2 4.47Å; F279-I292 HydrophobicContact CZ-CD1 4.37Å; F279-I292 HydrophobicContact CZ-CG2 4.08Å |
| 280 | F | 86.6 | Confident | 83.4 | Confident | 38 Ų | 38 | 51.5 Ų | 51.5 | 17% | 0.167 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 127 | -177.7 | -179.7 | -101.5 | 0 | 0 | 0 | 109.7 | W244 G269 H282 C291 | W244-F280 HydrophobicContact CH2-CB 4.26Å; W244-F280 HydrophobicContact CZ3-CB 3.99Å; G269-F280 WeakPolarHBondContact O-CE2 3.03Å; F280-H282 HydrophobicContact CD1-CB 3.95Å; F280-H282 HydrophobicContact CE1-CB 3.74Å; F280-H282 AromaticContact CE1-ND1 3.72Å; F280-H282 PolarHBondContact O-N 3.17Å; F280-C291 PolarHBondContact N-O 2.95Å; F280-C291 PolarHBondContact O-N 2.82Å |
| 281 | C | 90.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 104.1 | 174.9 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | C255 L266 N267 G269 Y270 | C255-C281 HydrophobicContact CB-CB 3.55Å; C255-C281 WeakPolarHBondContact CB-SG 3.44Å; C255-C281 PolarHBondContact N-SG 2.81Å; C255-C281 WeakPolarHBondContact SG-CA 3.27Å; C255-C281 WeakPolarHBondContact SG-CB 3.39Å; C255-C281 CovalentContact SG-SG 2.04Å; C255-C281 PolarHBondContact SG-SG 3.35Å; L266-C281 HydrophobicContact CB-CB 3.75Å; N267-C281 WeakPolarHBondContact O-CB 3.37Å; G269-C281 WeakPolarHBondContact CA-O 3.48Å; G269-C281 PolarHBondContact N-O 2.94Å; Y270-C281 PolarHBondContact O-N 3.07Å |
| 282 | H | 86 | Confident | 83.9 | Confident | 75 Ų | 75 | 49 Ų | 49 | 35% | 0.347 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 154.9 | 176.8 | -168 | 55.3 | 0 | 0 | 0 | 111.1 | F280 N284 A288 T289 | F280-H282 HydrophobicContact CD1-CB 3.95Å; F280-H282 HydrophobicContact CE1-CB 3.74Å; F280-H282 AromaticContact CE1-ND1 3.72Å; F280-H282 PolarHBondContact O-N 3.17Å; H282-N284 PolarHBondContact CD2-OD1 3.05Å; H282-N284 VanDerWaalsContact CD2-OD1 3.3Å; H282-N284 PolarHBondContact NE2-OD1 2.93Å; H282-A288 CarbonylContact O-C 3.4Å; H282-A288 WeakPolarHBondContact O-CA 3.5Å; H282-T289 PolarHBondContact N-O 3.22Å; H282-T289 PolarHBondContact O-N 3.21Å |
| 283 | T | 81 | Confident | 83.9 | Confident | 69 Ų | 69 | 48.2 Ų | 48.2 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.7 | 171 | 50.8 | 0 | 0 | 0 | 0 | 108.9 | L268 | L268-T283 HydrophobicContact CB-CG2 3.56Å; L268-T283 HydrophobicContact CD1-CG2 3.57Å; L268-T283 HydrophobicContact CD2-CG2 3.38Å; L268-T283 HydrophobicContact CG-CG2 3.63Å |
| 284 | N | 79 | Confident | 83.6 | Confident | 84 Ų | 84 | 52.3 Ų | 52.3 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 165.5 | 163.7 | -78.4 | -32.2 | 0 | 0 | 0 | 109.5 | H282 G286 G287 T289 | H282-N284 PolarHBondContact CD2-OD1 3.05Å; H282-N284 VanDerWaalsContact CD2-OD1 3.3Å; H282-N284 PolarHBondContact NE2-OD1 2.93Å; N284-G286 PolarHBondContact O-N 2.96Å; N284-G287 PolarHBondContact N-O 2.75Å; N284-G287 PolarHBondContact O-N 2.74Å; N284-G287 VanDerWaalsContact O-O 3.12Å; N284-T289 PolarHBondContact ND2-OG1 2.79Å |
| 285 | L | 79.1 | Confident | 83.6 | Confident | 198 Ų | 198 | 53.9 Ų | 53.9 | 100% | 1.037 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -21 | 175.9 | -79.6 | 156.4 | 0 | 0 | 0 | 113.4 | ||
| 286 | G | 76.9 | Confident | 83.5 | Confident | 75 Ų | 75 | 54.4 Ų | 54.4 | 77% | 0.773 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -1.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | N284 | N284-G286 PolarHBondContact O-N 2.96Š|
| 287 | G | 81.3 | Confident | 83.5 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.5 | -168.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N284 | N284-G287 PolarHBondContact N-O 2.75Å; N284-G287 PolarHBondContact O-N 2.74Å; N284-G287 VanDerWaalsContact O-O 3.12Å |
| 288 | A | 81.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 132.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S249 I251 L268 H282 | S249-A288 WeakPolarHBondContact CB-O 3.45Å; S249-A288 PolarHBondContact N-O 3.41Å; I251-A288 VanDerWaalsContact O-CB 3.24Å; I251-A288 WeakPolarHBondContact O-CB 3.37Å; L268-A288 HydrophobicContact CD2-CB 3.36Å; H282-A288 CarbonylContact O-C 3.4Å; H282-A288 WeakPolarHBondContact O-CA 3.5Å |
| 289 | T | 85.3 | Confident | 83.4 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.4 | 176.2 | -53.2 | 0 | 0 | 0 | 0 | 108.5 | C246 M247 D248 C255 H282 N284 C291 | C246-T289 HydrophobicContact CB-CG2 3.63Å; M247-T289 CarbonylContact O-C 3.59Å; M247-T289 WeakPolarHBondContact O-CA 2.96Å; M247-T289 WeakPolarHBondContact O-CG2 3.49Å; D248-T289 PolarHBondContact OD1-OG1 2.89Å; C255-T289 VanDerWaalsContact SG-C 3.56Å; H282-T289 PolarHBondContact N-O 3.22Å; H282-T289 PolarHBondContact O-N 3.21Å; N284-T289 PolarHBondContact ND2-OG1 2.79Å; T289-C291 PolarHBondContact O-N 3.36Å |
| 290 | L | 88.5 | Confident | 83 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 116.7 | 173 | 179.7 | 68.4 | 0 | 0 | 0 | 109.7 | C246 M247 C255 F257 L266 F279 | C246-L290 CarbonylContact C-O 3.52Å; C246-L290 VanDerWaalsContact CA-O 3.26Å; C246-L290 WeakPolarHBondContact CA-O 3.49Å; M247-L290 HydrophobicContact CE-CD2 4.22Å; M247-L290 PolarHBondContact N-O 2.81Å; M247-L290 PolarHBondContact O-N 3.45Å; C255-L290 HydrophobicContact CB-CB 3.9Å; C255-L290 HydrophobicContact CB-CD1 3.87Å; C255-L290 HydrophobicContact CB-CG 4.42Å; C255-L290 PolarHBondContact SG-N 3.02Å; F257-L290 HydrophobicContact CB-CD2 3.36Å; F257-L290 HydrophobicContact CD1-CD1 3.61Å; F257-L290 HydrophobicContact CD1-CD2 3.33Å; F257-L290 HydrophobicContact CD1-CG 4.1Å; F257-L290 HydrophobicContact CD2-CD2 3.91Å; F257-L290 HydrophobicContact CE1-CD1 3.53Å; F257-L290 HydrophobicContact CE1-CD2 4.06Å; F257-L290 HydrophobicContact CE1-CG 4.46Å; F257-L290 HydrophobicContact CG-CD1 4.3Å; F257-L290 HydrophobicContact CG-CD2 3.25Å; F257-L290 HydrophobicContact CG-CG 4.41Å; F257-L290 HydrophobicContact CZ-CD1 4.16Å; L266-L290 HydrophobicContact CD1-CD1 4.13Å; F279-L290 HydrophobicContact CB-CD1 4.25Å; F279-L290 HydrophobicContact CD1-CD1 4.39Å; F279-L290 HydrophobicContact CD1-CD2 4.42Å |
| 291 | C | 85.6 | Confident | 82.7 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.1 | 174.8 | -63.9 | 0 | 0 | 0 | 0 | 110.7 | W244 F245 C246 F279 F280 T289 | W244-C291 HydrophobicContact CE3-CB 3.63Å; W244-C291 HydrophobicContact CZ3-CB 4.09Å; F245-C291 CarbonylContact O-C 3.53Å; F245-C291 WeakPolarHBondContact O-CA 3.46Å; C246-C291 HydrophobicContact CB-CB 4.2Å; C246-C291 WeakPolarHBondContact CB-SG 3.41Å; C246-C291 WeakPolarHBondContact SG-CB 3.49Å; C246-C291 CovalentContact SG-SG 2.05Å; C246-C291 PolarHBondContact SG-SG 3.06Å; F279-C291 CarbonylContact C-O 3.39Å; F279-C291 WeakPolarHBondContact CA-O 3.25Å; F280-C291 PolarHBondContact N-O 2.95Å; F280-C291 PolarHBondContact O-N 2.82Å; T289-C291 PolarHBondContact O-N 3.36Å |
| 292 | I | 86.2 | Confident | 82.2 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 9% | 0.087 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125 | 178.2 | -49.8 | 176.8 | 0 | 0 | 0 | 107.7 | W244 F245 M247 N277 L278 F279 F294 | W244-I292 CarbonylContact C-O 3.53Å; W244-I292 WeakPolarHBondContact CA-O 3.5Å; W244-I292 VanDerWaalsContact CE3-C 3.46Å; F245-I292 HydrophobicContact CD1-CD1 4.36Å; F245-I292 PolarHBondContact N-O 2.65Å; F245-I292 PolarHBondContact O-N 3.34Å; M247-I292 HydrophobicContact CE-CD1 3.75Å; N277-I292 HydrophobicContact CB-CG2 4.09Å; L278-I292 WeakPolarHBondContact O-CA 2.92Å; F279-I292 HydrophobicContact CD1-CD1 4Å; F279-I292 HydrophobicContact CD1-CG1 3.68Å; F279-I292 HydrophobicContact CD1-CG2 4.35Å; F279-I292 HydrophobicContact CE1-CB 4.48Å; F279-I292 HydrophobicContact CE1-CD1 3.52Å; F279-I292 HydrophobicContact CE1-CG1 3.69Å; F279-I292 HydrophobicContact CE1-CG2 4.03Å; F279-I292 HydrophobicContact CE2-CG2 4.47Å; F279-I292 HydrophobicContact CZ-CD1 4.37Å; F279-I292 HydrophobicContact CZ-CG2 4.08Å; I292-F294 HydrophobicContact CG2-CE1 4.39Å; I292-F294 HydrophobicContact CG2-CE2 4.49Å; I292-F294 HydrophobicContact CG2-CZ 4.26Å |
| 293 | N | 81.7 | Confident | 81.8 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 20% | 0.198 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.2 | 171.3 | -167.1 | -109.6 | 0 | 0 | 0 | 109.8 | N243 W244 N277 L278 | N243-N293 WeakPolarHBondContact O-CA 2.95Å; N243-N293 PolarHBondContact O-ND2 3.38Å; W244-N293 HydrophobicContact CD2-CB 3.91Å; W244-N293 VanDerWaalsContact CE2-ND2 3.26Å; W244-N293 HydrophobicContact CE3-CB 3.76Å; W244-N293 HydrophobicContact CH2-CB 3.67Å; W244-N293 HydrophobicContact CZ2-CB 3.76Å; W244-N293 HydrophobicContact CZ3-CB 3.65Å; W244-N293 PolarHBondContact NE1-ND2 2.84Å; N277-N293 PolarHBondContact OD1-O 3.12Å; L278-N293 HydrophobicContact CB-CB 4.17Å; L278-N293 PolarHBondContact O-N 3.36Å |
| 294 | F | 75.9 | Confident | 81.9 | Confident | 162 Ų | 162 | 55.4 Ų | 55.4 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | trans | -101.6 | 0 | 171.6 | -64.9 | -74.2 | 0 | 0 | 0 | 111.2 | N243 F245 I292 | N243-F294 PolarHBondContact O-N 3.25Å; N243-F294 VanDerWaalsContact O-N 3.1Å; F245-F294 HydrophobicContact CB-CD2 4.15Å; F245-F294 HydrophobicContact CB-CE2 3.53Å; F245-F294 HydrophobicContact CG-CE2 4.21Å; I292-F294 HydrophobicContact CG2-CE1 4.39Å; I292-F294 HydrophobicContact CG2-CE2 4.49Å; I292-F294 HydrophobicContact CG2-CZ 4.26Å |
Retrieved 294 of 294 residues in 92.5 ms
(Link to these results)