| 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 | 38.1 | Very low | 37.4 | Very low | 233 Ų | 233 | 146.7 Ų | 146.7 | 100% | 1.148 | 76% | 0.763 | S | S | * | * | 0 | 114.5 | 0 | -122.1 | 172.6 | 75 | 0 | 0 | 107.7 | |||||
| 2 | F | 37.5 | Very low | 37.3 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | 56.5 | 93.1 | 164.1 | -74.2 | -84.4 | 0 | 0 | 0 | 121.2 | ||||
| 3 | V | 36.4 | Very low | 36.9 | Very low | 120 Ų | 120 | 152.2 Ų | 152.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -48.7 | 129.5 | 137.7 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | L5 | V3-L5 HydrophobicContact CG1-CD1 4.04Å; V3-L5 HydrophobicContact CG1-CG 4.39Å | ||
| 4 | L | 36.8 | Very low | 36.8 | Very low | 125 Ų | 125 | 149.5 Ų | 149.5 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | trans | -137.5 | 86.8 | 163.2 | -106.8 | 141.6 | 0 | 0 | 0 | 108.5 | Y6 | L4-Y6 HydrophobicContact CD2-CD2 4.11Å; L4-Y6 HydrophobicContact CD2-CE2 3.77Å; L4-Y6 PolarHBondContact O-N 3.13Å | ||
| 5 | L | 36.7 | Very low | 36.7 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | -65.9 | 102.4 | 162.8 | -87.7 | 147.5 | 0 | 0 | 0 | 108.2 | V3 I7 | V3-L5 HydrophobicContact CG1-CD1 4.04Å; V3-L5 HydrophobicContact CG1-CG 4.39Å; L5-I7 PolarHBondContact O-N 3.15Å | ||
| 6 | Y | 35.1 | Very low | 36.9 | Very low | 195 Ų | 195 | 148.1 Ų | 148.1 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | -86.6 | 96.8 | 163.8 | -100.8 | -87.4 | 0 | 0 | 0 | 108.5 | L4 T8 | L4-Y6 HydrophobicContact CD2-CD2 4.11Å; L4-Y6 HydrophobicContact CD2-CE2 3.77Å; L4-Y6 PolarHBondContact O-N 3.13Å; Y6-T8 PolarHBondContact O-N 3.35Å | ||
| 7 | I | 40.6 | Very low | 37 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | trans | -74.7 | 99 | 167.1 | -63.2 | 172.4 | 0 | 0 | 0 | 106.5 | L5 S9 | L5-I7 PolarHBondContact O-N 3.15Å; I7-S9 PolarHBondContact O-N 2.51Å | ||
| 8 | T | 40.4 | Very low | 36.8 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | trans | -81.8 | 96 | 166.2 | 51 | 0 | 0 | 0 | 0 | 108.3 | Y6 F10 | Y6-T8 PolarHBondContact O-N 3.35Å; T8-F10 PolarHBondContact O-N 2.94Å | ||
| 9 | S | 37.7 | Very low | 36.6 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -62.4 | 95.3 | 163.6 | -71.3 | 0 | 0 | 0 | 0 | 109.2 | I7 A11 | I7-S9 PolarHBondContact O-N 2.51Å; S9-A11 PolarHBondContact O-N 2.68Å | ||
| 10 | F | 36.8 | Very low | 36.5 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | trans | -76.1 | 100 | 160.7 | -101.2 | -88.6 | 0 | 0 | 0 | 107.6 | T8 I12 | T8-F10 PolarHBondContact O-N 2.94Å; F10-I12 PolarHBondContact O-N 3.37Å | ||
| 11 | A | 35.3 | Very low | 36.5 | Very low | 70 Ų | 70 | 145.9 Ų | 145.9 | 58% | 0.579 | 76% | 0.759 | S | S | * | * | trans | -55.6 | 120.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | S9 Y13 | S9-A11 PolarHBondContact O-N 2.68Å; A11-Y13 VanDerWaalsContact C-N 3.3Å; A11-Y13 HydrophobicContact CB-CD2 4.35Å; A11-Y13 PolarHBondContact O-N 2.86Å | ||
| 12 | I | 36 | Very low | 36.4 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | trans | -66.5 | 95.9 | 165.1 | -59.4 | 172.4 | 0 | 0 | 0 | 105.8 | F10 T14 | F10-I12 PolarHBondContact O-N 3.37Å; I12-T14 VanDerWaalsContact C-N 3.32Å; I12-T14 HydrophobicContact CG2-CG2 3.87Å; I12-T14 PolarHBondContact O-N 3Å; I12-T14 VanDerWaalsContact O-N 3.12Å | ||
| 13 | Y | 32.9 | Very low | 36.5 | Very low | 214 Ų | 214 | 143.8 Ų | 143.8 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | trans | -75.2 | 90.1 | 163.8 | -101.4 | -92.9 | 0 | 0 | 0 | 107.5 | A11 S15 | A11-Y13 VanDerWaalsContact C-N 3.3Å; A11-Y13 HydrophobicContact CB-CD2 4.35Å; A11-Y13 PolarHBondContact O-N 2.86Å; Y13-S15 VanDerWaalsContact C-N 3.26Å; Y13-S15 PolarHBondContact O-N 3.48Å; Y13-S15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | T | 34.8 | Very low | 36.4 | Very low | 114 Ų | 114 | 147 Ų | 147 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | -72.4 | 88.4 | 157.2 | 50 | 0 | 0 | 0 | 0 | 107.3 | I12 E16 | I12-T14 VanDerWaalsContact C-N 3.32Å; I12-T14 HydrophobicContact CG2-CG2 3.87Å; I12-T14 PolarHBondContact O-N 3Å; I12-T14 VanDerWaalsContact O-N 3.12Å; T14-E16 VanDerWaalsContact C-N 3.28Å; T14-E16 PolarHBondContact O-N 2.83Å; T14-E16 VanDerWaalsContact O-N 3.09Å | ||
| 15 | S | 35.6 | Very low | 36.7 | Very low | 90 Ų | 90 | 144.3 Ų | 144.3 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | trans | -74.7 | 92.1 | 160.9 | 66.7 | 0 | 0 | 0 | 0 | 107.3 | Y13 Q17 | Y13-S15 VanDerWaalsContact C-N 3.26Å; Y13-S15 PolarHBondContact O-N 3.48Å; Y13-S15 VanDerWaalsContact O-N 3.09Å; S15-Q17 PolarHBondContact O-N 3.16Å | ||
| 16 | E | 40.3 | Very low | 36.7 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | -62.4 | 82.7 | 157.3 | -73.3 | -175 | 154.9 | 0 | 0 | 107.7 | T14 | T14-E16 VanDerWaalsContact C-N 3.28Å; T14-E16 PolarHBondContact O-N 2.83Å; T14-E16 VanDerWaalsContact O-N 3.09Å | ||
| 17 | Q | 37.5 | Very low | 36.8 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | trans | -80.8 | 118.6 | 158.1 | -71.9 | -171.8 | -37.2 | 0 | 0 | 106.1 | S15 L19 | S15-Q17 PolarHBondContact O-N 3.16Å; Q17-L19 PolarHBondContact O-N 3.08Å | ||
| 18 | P | 33.8 | Very low | 36.8 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -61.1 | 118.3 | 164.1 | 26.2 | -28.9 | 0 | 0 | 0 | 105.5 | Q20 | P18-Q20 PolarHBondContact O-N 2.83Š| ||
| 19 | L | 33 | Very low | 36.8 | Very low | 168 Ų | 168 | 149 Ų | 149 | 88% | 0.88 | 76% | 0.757 | S | S | * | * | trans | -64.7 | 85.3 | 170.9 | -150.5 | 111.2 | 0 | 0 | 0 | 105.7 | Q17 S21 | Q17-L19 PolarHBondContact O-N 3.08Å; L19-S21 PolarHBondContact O-N 3.23Å | ||
| 20 | Q | 34.2 | Very low | 37 | Very low | 176 Ų | 176 | 149 Ų | 149 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -69.2 | 91.1 | 176 | -162.5 | 165.3 | 8.7 | 0 | 0 | 104.6 | P18 Q22 | P18-Q20 PolarHBondContact O-N 2.83Å; Q20-Q22 VanDerWaalsContact C-N 3.33Å; Q20-Q22 PolarHBondContact O-N 3.29Å | ||
| 21 | S | 36.6 | Very low | 37.5 | Very low | 77 Ų | 77 | 148.2 Ų | 148.2 | 54% | 0.538 | 74% | 0.743 | S | S | . | * | trans | -58.9 | 102.3 | 174.5 | 59.3 | 0 | 0 | 0 | 0 | 106.8 | L19 F23 | L19-S21 PolarHBondContact O-N 3.23Å; S21-F23 PolarHBondContact O-N 3.42Å | ||
| 22 | Q | 36.8 | Very low | 37.7 | Very low | 181 Ų | 181 | 153.8 Ų | 153.8 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -67.1 | 75.3 | 155.2 | -83.2 | -173.1 | -21.4 | 0 | 0 | 106.7 | Q20 K24 | Q20-Q22 VanDerWaalsContact C-N 3.33Å; Q20-Q22 PolarHBondContact O-N 3.29Å; Q22-K24 PolarHBondContact O-N 2.81Å | ||
| 23 | F | 38.4 | Very low | 38.4 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | trans | -68.4 | 76.2 | 152 | -91.1 | -82.5 | 0 | 0 | 0 | 106.3 | S21 G25 | S21-F23 PolarHBondContact O-N 3.42Å; F23-G25 PolarHBondContact O-N 3.29Å | ||
| 24 | K | 34.9 | Very low | 39.2 | Very low | 188 Ų | 188 | 148.3 Ų | 148.3 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | trans | -67.9 | 110.2 | 158.6 | -133.9 | -179.6 | -175 | -175.8 | 0 | 104.1 | Q22 E26 | Q22-K24 PolarHBondContact O-N 2.81Å; K24-E26 PolarHBondContact O-N 3.42Å | ||
| 25 | G | 43.4 | Very low | 39.9 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | -56.5 | 102.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F23 | F23-G25 PolarHBondContact O-N 3.29Š| ||
| 26 | E | 37.4 | Very low | 40.8 | Very low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -88.9 | 110.3 | 146.8 | -68.6 | -164.3 | 160.4 | 0 | 0 | 105.6 | K24 Y28 | K24-E26 PolarHBondContact O-N 3.42Å; E26-Y28 VanDerWaalsContact C-N 3.28Å; E26-Y28 PolarHBondContact O-N 3.41Å | ||
| 27 | N | 36.7 | Very low | 41.9 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | trans | -59.3 | 97.8 | 170.7 | -74.7 | -42.6 | 0 | 0 | 0 | 107 | Y29 | N27-Y29 HydrophobicContact CB-CD2 4.24Å; N27-Y29 HydrophobicContact CB-CE2 3.85Å; N27-Y29 WeakPolarHBondContact O-CD2 3.48Å; N27-Y29 PolarHBondContact O-N 2.66Å | ||
| 28 | Y | 41 | Very low | 42.8 | Very low | 216 Ų | 216 | 137.5 Ų | 137.5 | 85% | 0.847 | 70% | 0.703 | S | S | * | * | trans | -60.9 | 94.3 | 157.9 | -79.2 | -92.1 | 0 | 0 | 0 | 106.5 | E26 T30 | E26-Y28 VanDerWaalsContact C-N 3.28Å; E26-Y28 PolarHBondContact O-N 3.41Å; Y28-T30 PolarHBondContact O-N 2.91Å; Y28-T30 VanDerWaalsContact O-N 3.12Å | ||
| 29 | Y | 40.1 | Very low | 44.2 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | trans | -67.2 | 107.4 | 159.5 | -66.2 | -81.4 | 0 | 0 | 0 | 105.3 | N27 R31 | N27-Y29 HydrophobicContact CB-CD2 4.24Å; N27-Y29 HydrophobicContact CB-CE2 3.85Å; N27-Y29 WeakPolarHBondContact O-CD2 3.48Å; N27-Y29 PolarHBondContact O-N 2.66Å; Y29-R31 PolarHBondContact O-N 2.8Å | ||
| 30 | T | 40.9 | Very low | 46.2 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | trans | -56.3 | 92.3 | 154.8 | 7 | 0 | 0 | 0 | 0 | 106.2 | Y28 Y32 | Y28-T30 PolarHBondContact O-N 2.91Å; Y28-T30 VanDerWaalsContact O-N 3.12Å; T30-Y32 VanDerWaalsContact C-N 3.34Å; T30-Y32 VanDerWaalsContact O-CD2 3.27Å; T30-Y32 WeakPolarHBondContact O-CD2 3.36Å; T30-Y32 PolarHBondContact O-N 3.19Å | ||
| 31 | R | 47.2 | Very low | 48 | Very low | 173 Ų | 173 | 126.3 Ų | 126.3 | 65% | 0.653 | 65% | 0.651 | S | S | * | * | trans | -68.8 | 97.8 | 173.4 | -103.4 | -179.2 | 175 | 177.4 | 1.4 | 106.3 | Y29 I33 D281 | Y29-R31 PolarHBondContact O-N 2.8Å; R31-I33 PolarHBondContact O-N 2.92Å; R31-D281 IonicContact CZ-OD1 4Å; R31-D281 IonicContact NH1-OD1 3.64Å; R31-D281 PolarHBondContact NH1-OD1 3.49Å; R31-D281 IonicContact NH1-OD2 2.65Å; R31-D281 PolarHBondContact NH1-OD2 3.47Å | ||
| 32 | Y | 39.9 | Very low | 49.7 | Very low | 186 Ų | 186 | 128.6 Ų | 128.6 | 73% | 0.729 | 66% | 0.663 | S | S | * | * | trans | -58.2 | 118.8 | 175.8 | -67.8 | -84.3 | 0 | 0 | 0 | 109.6 | T30 C34 | T30-Y32 VanDerWaalsContact C-N 3.34Å; T30-Y32 VanDerWaalsContact O-CD2 3.27Å; T30-Y32 WeakPolarHBondContact O-CD2 3.36Å; T30-Y32 PolarHBondContact O-N 3.19Å; Y32-C34 PolarHBondContact O-N 3.32Å | ||
| 33 | I | 51.1 | Low | 51.7 | Low | 141 Ų | 141 | 122.9 Ų | 122.9 | 72% | 0.723 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -67.2 | 114 | 159.3 | -65.1 | 169.5 | 0 | 0 | 0 | 106.2 | R31 Y274 | R31-I33 PolarHBondContact O-N 2.92Å; I33-Y274 HydrophobicContact CD1-CD1 4.46Å |
| 34 | C | 49.6 | Very low | 53.5 | Low | 110 Ų | 110 | 115 Ų | 115 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | trans | 39.4 | 91.9 | 173.1 | -156 | 0 | 0 | 0 | 0 | 115.9 | Y32 | Y32-C34 PolarHBondContact O-N 3.32Š| ||
| 35 | S | 50.2 | Low | 55.4 | Low | 65 Ų | 65 | 111.5 Ų | 111.5 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | trans | -107.9 | 123.3 | 164.2 | 59.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 36 | I | 53.5 | Low | 57.1 | Low | 152 Ų | 152 | 111 Ų | 111 | 78% | 0.779 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -48 | 143 | 166.1 | -61 | 171.2 | 0 | 0 | 0 | 108.7 | G38 | I36-G38 PolarHBondContact O-N 3.15Š|
| 37 | P | 63.5 | Low | 58.9 | Low | 67 Ų | 67 | 104.8 Ų | 104.8 | 44% | 0.435 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -46.8 | 133.4 | 178.1 | -28.4 | 34.9 | 0 | 0 | 0 | 111.9 | L39 P136 | P37-L39 PolarHBondContact O-N 3.26Å; P37-P136 HydrophobicContact CB-CG 4.44Å; P37-P136 HydrophobicContact CG-CB 4.08Å; P37-P136 HydrophobicContact CG-CG 3.93Å |
| 38 | G | 56.1 | Low | 60.9 | Low | 41 Ų | 41 | 103.4 Ų | 103.4 | 42% | 0.423 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 137.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I36 G134 | I36-G38 PolarHBondContact O-N 3.15Å; G38-G134 PolarHBondContact O-N 2.79Å |
| 39 | L | 63.7 | Low | 62.7 | Low | 159 Ų | 159 | 98.3 Ų | 98.3 | 83% | 0.832 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 143.1 | 177.9 | -69.8 | 172.6 | 0 | 0 | 0 | 110.2 | P37 G41 | P37-L39 PolarHBondContact O-N 3.26Å; L39-G41 PolarHBondContact O-N 2.88Å |
| 40 | P | 75.4 | Confident | 64.2 | Low | 35 Ų | 35 | 91 Ų | 91 | 23% | 0.227 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 139.8 | -179.8 | -10.7 | 18.7 | 0 | 0 | 0 | 110.5 | R130 G131 P133 | P40-R130 HydrophobicContact CB-CG 4.23Å; P40-G131 WeakPolarHBondContact CB-O 3.41Å; P40-P133 HydrophobicContact CB-CG 4.41Å; P40-P133 HydrophobicContact CG-CB 4.34Å; P40-P133 HydrophobicContact CG-CG 4.09Å |
| 41 | G | 72.4 | Confident | 65.8 | Low | 27 Ų | 27 | 90.7 Ų | 90.7 | 28% | 0.278 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 154.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L39 R130 G131 | L39-G41 PolarHBondContact O-N 2.88Å; G41-R130 VanDerWaalsContact O-CG 3.29Å; G41-R130 WeakPolarHBondContact O-CG 3.49Å; G41-G131 PolarHBondContact N-O 3.38Å; G41-G131 PolarHBondContact O-N 3.14Å |
| 42 | P | 70.9 | Confident | 67.3 | Low | 124 Ų | 124 | 86.4 Ų | 86.4 | 81% | 0.805 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 149.7 | 179 | 27.8 | -34.6 | 0 | 0 | 0 | 110.7 | G44 | P42-G44 PolarHBondContact O-N 3.01Š|
| 43 | V | 80.4 | Confident | 68.8 | Low | 62 Ų | 62 | 78.8 Ų | 78.8 | 38% | 0.376 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 131.7 | 177.7 | -170.4 | 0 | 0 | 0 | 0 | 109.7 | K127 G128 R130 | V43-K127 HydrophobicContact CB-CD 4.43Å; V43-K127 HydrophobicContact CG1-CD 3.52Å; V43-K127 HydrophobicContact CG1-CG 3.75Å; V43-G128 WeakPolarHBondContact CG1-O 3.37Å; V43-R130 HydrophobicContact CG2-CB 4.16Å; V43-R130 HydrophobicContact CG2-CG 4.31Å |
| 44 | G | 75.5 | Confident | 69.9 | Low | 21 Ų | 21 | 78 Ų | 78 | 22% | 0.216 | 53% | 0.525 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 152.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P42 K127 G128 | P42-G44 PolarHBondContact O-N 3.01Å; G44-K127 VanDerWaalsContact O-CG 3.23Å; G44-K127 WeakPolarHBondContact O-CG 3.06Å; G44-G128 PolarHBondContact N-O 3Å |
| 45 | P | 74.3 | Confident | 71.2 | Confident | 114 Ų | 114 | 78.8 Ų | 78.8 | 74% | 0.74 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 149.3 | 174.4 | 28.5 | -33.8 | 0 | 0 | 0 | 110.3 | ||
| 46 | P | 80.3 | Confident | 72.1 | Confident | 57 Ų | 57 | 77.2 Ų | 77.2 | 37% | 0.37 | 51% | 0.512 | S | S | . | . | B | Isolated β-bridge | trans | -56.3 | 143.8 | 172.6 | -26 | 35.6 | 0 | 0 | 0 | 112.6 | K124 K127 | P46-K124 HydrophobicContact CB-CD 4.26Å; P46-K127 HydrophobicContact CG-CB 4.5Å; P46-K127 HydrophobicContact CG-CG 4.3Å |
| 47 | G | 75.2 | Confident | 73 | Confident | 30 Ų | 30 | 81.6 Ų | 81.6 | 31% | 0.309 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 157.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K124 G125 D126 | G47-K124 VanDerWaalsContact O-CG 3.29Å; G47-K124 WeakPolarHBondContact O-CG 3.48Å; G47-G125 PolarHBondContact N-O 3.24Å; G47-D126 PolarHBondContact N-O 2.83Å |
| 48 | A | 77.3 | Confident | 73.6 | Confident | 94 Ų | 94 | 82.1 Ų | 82.1 | 78% | 0.777 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 156.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G125 | A48-G125 PolarHBondContact O-N 3.29Š|
| 49 | N | 79.6 | Confident | 74 | Confident | 110 Ų | 110 | 81.7 Ų | 81.7 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | B | Isolated β-bridge | trans | -65.3 | 142.5 | 174.4 | -71 | -1.8 | 0 | 0 | 0 | 110.6 | K124 | N49-K124 WeakPolarHBondContact OD1-CA 3.35Å; N49-K124 WeakPolarHBondContact OD1-CB 3.4Å; N49-K124 VanDerWaalsContact OD1-CG 3.27Å; N49-K124 WeakPolarHBondContact OD1-CG 3.39Å |
| 50 | G | 72.1 | Confident | 74.1 | Confident | 32 Ų | 32 | 82 Ų | 82 | 33% | 0.33 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 145.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G122 P123 | G50-G122 PolarHBondContact N-O 3.14Å; G50-G122 PolarHBondContact O-N 3.26Å; G50-G122 VanDerWaalsContact O-N 3.14Å; G50-P123 PolarHBondContact N-O 3.33Å |
| 51 | S | 73.8 | Confident | 73.8 | Confident | 104 Ų | 104 | 84.1 Ų | 84.1 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -61 | 149.2 | 175.3 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 52 | P | 78.9 | Confident | 73.5 | Confident | 83 Ų | 83 | 84.6 Ų | 84.6 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 143.8 | 173.1 | -24.7 | 34 | 0 | 0 | 0 | 112.6 | P121 | P52-P121 HydrophobicContact CG-CG 4.41Š|
| 53 | G | 71.8 | Confident | 73.1 | Confident | 26 Ų | 26 | 90.4 Ų | 90.4 | 27% | 0.268 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 153.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G119 | G53-G119 PolarHBondContact N-O 3.22Å; G53-G119 PolarHBondContact O-N 2.91Å |
| 54 | P | 72.6 | Confident | 72.6 | Confident | 124 Ų | 124 | 92.4 Ų | 92.4 | 81% | 0.805 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 156.1 | 178.2 | 28.1 | -34.8 | 0 | 0 | 0 | 111.4 | ||
| 55 | H | 77.2 | Confident | 72 | Confident | 128 Ų | 128 | 93.3 Ų | 93.3 | 59% | 0.593 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 145.4 | 177 | -74.4 | 69.5 | 0 | 0 | 0 | 111.5 | V115 | H55-V115 HydrophobicContact CB-CG1 4.09Š|
| 56 | G | 69.1 | Low | 71.3 | Confident | 32 Ų | 32 | 99.9 Ų | 99.9 | 33% | 0.33 | 57% | 0.567 | S | S | . | * | B | Isolated β-bridge | trans | -61 | 145.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V115 G116 | G56-V115 VanDerWaalsContact O-CG1 3.31Å; G56-V115 WeakPolarHBondContact O-CG1 3.46Å; G56-G116 PolarHBondContact N-O 2.84Å; G56-G116 PolarHBondContact O-N 3.5Å |
| 57 | R | 72.6 | Confident | 70.5 | Confident | 243 Ų | 243 | 102 Ų | 102 | 92% | 0.917 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 147.1 | 177 | -65.7 | -174.3 | 178.7 | -148.8 | -0.1 | 110.7 | G59 | R57-G59 PolarHBondContact O-N 2.73Š|
| 58 | I | 75.3 | Confident | 69.8 | Low | 78 Ų | 78 | 103.4 Ų | 103.4 | 40% | 0.4 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 130.8 | 173.9 | -64.9 | 170.6 | 0 | 0 | 0 | 109.5 | K112 G113 V115 | I58-K112 HydrophobicContact CG2-CD 4.26Å; I58-K112 VanDerWaalsContact CG2-CE 3.45Å; I58-K112 HydrophobicContact CG2-CG 3.91Å; I58-G113 WeakPolarHBondContact CG2-O 3.27Å; I58-V115 HydrophobicContact CD1-CG2 4.01Å; I58-V115 HydrophobicContact CG1-CB 4.37Å; I58-V115 HydrophobicContact CG1-CG2 3.48Å; I58-V115 VanDerWaalsContact CG1-CG2 3.48Å |
| 59 | G | 65.4 | Low | 68.9 | Low | 32 Ų | 32 | 110.9 Ų | 110.9 | 33% | 0.33 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 144.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R57 | R57-G59 PolarHBondContact O-N 2.73Š|
| 60 | L | 66.4 | Low | 67.8 | Low | 165 Ų | 165 | 114.5 Ų | 114.5 | 86% | 0.864 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 141.3 | 176.3 | -72.1 | 164.2 | 0 | 0 | 0 | 110.3 | ||
| 61 | P | 69.5 | Low | 67 | Low | 80 Ų | 80 | 116.4 Ų | 116.4 | 52% | 0.519 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 144.7 | 174.8 | -23.6 | 33.4 | 0 | 0 | 0 | 112 | ||
| 62 | G | 65.5 | Low | 66.2 | Low | 38 Ų | 38 | 120.9 Ų | 120.9 | 39% | 0.392 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 142.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 63 | R | 63 | Low | 65.1 | Low | 246 Ų | 246 | 126.6 Ų | 126.6 | 93% | 0.928 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 143.6 | 176.1 | -70.8 | -175.1 | 175.3 | -176.3 | -1.4 | 110.6 | ||
| 64 | D | 69 | Low | 64.2 | Low | 103 Ų | 103 | 128.8 Ų | 128.8 | 55% | 0.551 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 145.6 | 175.8 | -60.9 | -27 | 0 | 0 | 0 | 111.6 | T109 | D64-T109 WeakPolarHBondContact OD1-CA 3.48Š|
| 65 | G | 62.7 | Low | 63.4 | Low | 41 Ų | 41 | 132.2 Ų | 132.2 | 42% | 0.423 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 143.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 66 | R | 59.9 | Low | 62.4 | Low | 251 Ų | 251 | 136.1 Ų | 136.1 | 95% | 0.947 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 140.6 | 177 | -71.8 | -175.6 | -177.6 | 178.9 | 0.9 | 111.4 | ||
| 67 | D | 64.6 | Low | 61.5 | Low | 101 Ų | 101 | 138.3 Ų | 138.3 | 54% | 0.54 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -53 | 138.9 | 172 | -77.8 | 4.3 | 0 | 0 | 0 | 111.8 | K103 | D67-K103 IonicContact OD2-NZ 3.4Š|
| 68 | G | 59.1 | Low | 60.3 | Low | 60 Ų | 60 | 132.5 Ų | 132.5 | 62% | 0.619 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 138.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 69 | R | 58.7 | Low | 58.9 | Low | 252 Ų | 252 | 134 Ų | 134 | 95% | 0.951 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 143.2 | 178.3 | -76.6 | -175.8 | 173.4 | -176.8 | -1.7 | 111.6 | ||
| 70 | K | 57.4 | Low | 58.1 | Low | 185 Ų | 185 | 136 Ų | 136 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 129.4 | 174.3 | -167.4 | 176.5 | -177 | -180 | 0 | 109.5 | ||
| 71 | G | 55.4 | Low | 56.9 | Low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 143.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 72 | E | 56.6 | Low | 55.7 | Low | 199 Ų | 199 | 144.7 Ų | 144.7 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 154 | 179.6 | -71.1 | -174.5 | 152.3 | 0 | 0 | 112.8 | ||
| 73 | K | 55.5 | Low | 54.6 | Low | 202 Ų | 202 | 146.5 Ų | 146.5 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 128.7 | -175.9 | -171.5 | 179.9 | -175.3 | -178.8 | 0 | 109.9 | ||
| 74 | G | 53.2 | Low | 53.6 | Low | 72 Ų | 72 | 144.7 Ų | 144.7 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 142.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 75 | E | 54.5 | Low | 52.5 | Low | 197 Ų | 197 | 146.6 Ų | 146.6 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 153.6 | -179.3 | -71.3 | -170.4 | 142.4 | 0 | 0 | 113.6 | ||
| 76 | K | 56.1 | Low | 51.5 | Low | 209 Ų | 209 | 147.6 Ų | 147.6 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 124.2 | -175.6 | -169.5 | 179.2 | -175.6 | -176.8 | 0 | 110.7 | ||
| 77 | G | 50.7 | Low | 50.7 | Low | 78 Ų | 78 | 142.4 Ų | 142.4 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 145.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 78 | S | 48.8 | Very low | 49.6 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 85% | 0.853 | 85% | 0.845 | S | S | * | * | trans | -105.3 | 148.6 | 175.9 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 79 | A | 44.3 | Very low | 49.1 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 89% | 0.893 | 84% | 0.842 | S | S | * | * | trans | 161.2 | 155 | 147.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 80 | G | 48.4 | Very low | 48.3 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | cis | -165.7 | -172.9 | 10.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 81 | L | 42.9 | Very low | 47.7 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 93% | 0.927 | 84% | 0.841 | S | S | * | * | trans | -95.4 | 148.8 | -163.6 | -89.4 | 157.2 | 0 | 0 | 0 | 116.2 | ||||
| 82 | R | 43.3 | Very low | 47.6 | Very low | 249 Ų | 249 | 136.6 Ų | 136.6 | 94% | 0.94 | 85% | 0.845 | S | S | * | * | trans | 77.7 | 133.5 | 137.4 | -157 | 177.7 | -164.3 | -179.2 | 4.4 | 122.4 | ||||
| 83 | G | 43.4 | Very low | 47.1 | Very low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 84% | 0.844 | S | S | * | * | trans | 154.9 | 142.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 84 | K | 42 | Very low | 46.8 | Very low | 209 Ų | 209 | 136.6 Ų | 136.6 | 91% | 0.909 | 85% | 0.845 | S | S | * | * | trans | -94.9 | 141.3 | -178.1 | -95.5 | -173.4 | 178.2 | -178 | 0 | 113.4 | ||||
| 85 | T | 44.4 | Very low | 46.7 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 87% | 0.871 | 84% | 0.844 | S | S | * | * | trans | 73.3 | 120.9 | 149.1 | -36.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 86 | G | 41.9 | Very low | 46.6 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 84% | 0.843 | S | S | * | * | trans | 152 | 136.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 87 | P | 43.2 | Very low | 46.5 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 92% | 0.922 | 84% | 0.841 | S | S | * | * | trans | -76.3 | 162 | -161 | 32.1 | -35.6 | 0 | 0 | 0 | 115.5 | ||||
| 88 | L | 40.7 | Very low | 46.6 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | trans | -59.3 | 127.6 | -153.9 | -169.6 | 69.7 | 0 | 0 | 0 | 117.4 | ||||
| 89 | G | 48.8 | Very low | 46.8 | Very low | 55 Ų | 55 | 137 Ų | 137 | 57% | 0.567 | 84% | 0.839 | S | S | * | * | trans | -108.1 | 158.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 90 | P | 43.1 | Very low | 47.3 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 155.5 | -168.5 | 27.8 | -33.5 | 0 | 0 | 0 | 114.5 | ||
| 91 | A | 45.3 | Very low | 47.6 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 136.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 92 | G | 51.5 | Low | 48.2 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 143.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 93 | E | 47.7 | Very low | 48.8 | Very low | 195 Ų | 195 | 134.7 Ų | 134.7 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 154.5 | -169.4 | -68.8 | -171.5 | 131.3 | 0 | 0 | 116 | ||
| 94 | K | 47.8 | Very low | 49.4 | Very low | 205 Ų | 205 | 133 Ų | 133 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 126.1 | 176.3 | -175.4 | -176.4 | -173.6 | -178.1 | 0 | 109.9 | ||
| 95 | G | 52.1 | Low | 50.1 | Low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 146.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 96 | D | 52.8 | Low | 50.8 | Low | 167 Ų | 167 | 125.1 Ų | 125.1 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 148.2 | -176.7 | -74.4 | -38.1 | 0 | 0 | 0 | 114.4 | ||
| 97 | Q | 52.5 | Low | 51.6 | Low | 184 Ų | 184 | 124 Ų | 124 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 123.1 | 177.5 | -177.9 | 175.3 | -18.3 | 0 | 0 | 111 | ||
| 98 | G | 53.8 | Low | 52.3 | Low | 67 Ų | 67 | 125.2 Ų | 125.2 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 141.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 99 | Q | 53.8 | Low | 53.5 | Low | 199 Ų | 199 | 122.3 Ų | 122.3 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 144.7 | 178.9 | -68 | -174.6 | 25.4 | 0 | 0 | 112.2 | ||
| 100 | S | 54 | Low | 54 | Low | 102 Ų | 102 | 120.9 Ų | 120.9 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 134.2 | 174.7 | -81 | 0 | 0 | 0 | 0 | 111.8 | ||
| 101 | G | 54.9 | Low | 54.9 | Low | 72 Ų | 72 | 118.8 Ų | 118.8 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 144.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 102 | K | 55 | Low | 56.1 | Low | 211 Ų | 211 | 121 Ų | 121 | 92% | 0.917 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 144.8 | 178.4 | -68.2 | -175.9 | 178.9 | -179.7 | 0 | 111.6 | ||
| 103 | K | 55.8 | Low | 56.6 | Low | 176 Ų | 176 | 118.5 Ų | 118.5 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 134.2 | 176.1 | -165.8 | -179.1 | -178.9 | -172.6 | 0 | 110 | D67 | D67-K103 IonicContact OD2-NZ 3.4Š|
| 104 | G | 57.1 | Low | 57.7 | Low | 40 Ų | 40 | 117.8 Ų | 117.8 | 41% | 0.412 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 157.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 105 | P | 55.7 | Low | 59 | Low | 129 Ų | 129 | 112.1 Ų | 112.1 | 84% | 0.838 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 148 | 178.1 | 27.8 | -32.7 | 0 | 0 | 0 | 111.4 | ||
| 106 | G | 59.9 | Low | 59.8 | Low | 57 Ų | 57 | 109.9 Ų | 109.9 | 59% | 0.588 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 147.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 107 | G | 57.7 | Low | 60.7 | Low | 41 Ų | 41 | 107.4 Ų | 107.4 | 42% | 0.423 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 149 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 108 | L | 58.5 | Low | 61.8 | Low | 166 Ų | 166 | 101 Ų | 101 | 87% | 0.869 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 144.7 | 177 | -67.6 | 169.5 | 0 | 0 | 0 | 111.7 | ||
| 109 | T | 64.8 | Low | 62.7 | Low | 114 Ų | 114 | 99 Ų | 99 | 70% | 0.699 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 134.5 | 178 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | D64 | D64-T109 WeakPolarHBondContact OD1-CA 3.48Š|
| 110 | G | 59.8 | Low | 63.6 | Low | 25 Ų | 25 | 94.8 Ų | 94.8 | 26% | 0.258 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -68 | 140.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 111 | A | 62.7 | Low | 64.7 | Low | 90 Ų | 90 | 94.1 Ų | 94.1 | 74% | 0.744 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 150.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 112 | K | 69.9 | Low | 65.6 | Low | 151 Ų | 151 | 91.8 Ų | 91.8 | 66% | 0.657 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 134.6 | 176.1 | -172 | 177.9 | 179.8 | -177.4 | 0 | 109.8 | I58 | I58-K112 HydrophobicContact CG2-CD 4.26Å; I58-K112 VanDerWaalsContact CG2-CE 3.45Å; I58-K112 HydrophobicContact CG2-CG 3.91Å |
| 113 | G | 61.9 | Low | 66.5 | Low | 28 Ų | 28 | 87.5 Ų | 87.5 | 29% | 0.289 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 153.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I58 | I58-G113 WeakPolarHBondContact CG2-O 3.27Š|
| 114 | E | 71.4 | Confident | 67.5 | Low | 180 Ų | 180 | 85 Ų | 85 | 84% | 0.841 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -75 | 161 | 177.4 | -64.6 | -171.7 | 159 | 0 | 0 | 112.6 | ||
| 115 | V | 74.1 | Confident | 68.4 | Low | 86 Ų | 86 | 84.5 Ų | 84.5 | 52% | 0.521 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 131.2 | 173.7 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | H55 G56 I58 | H55-V115 HydrophobicContact CB-CG1 4.09Å; G56-V115 VanDerWaalsContact O-CG1 3.31Å; G56-V115 WeakPolarHBondContact O-CG1 3.46Å; I58-V115 HydrophobicContact CD1-CG2 4.01Å; I58-V115 HydrophobicContact CG1-CB 4.37Å; I58-V115 HydrophobicContact CG1-CG2 3.48Å; I58-V115 VanDerWaalsContact CG1-CG2 3.48Å |
| 116 | G | 69.9 | Low | 69.4 | Low | 22 Ų | 22 | 85.7 Ų | 85.7 | 23% | 0.227 | 55% | 0.548 | C | S | . | . | B | Isolated β-bridge | trans | -68.9 | 153.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G56 | G56-G116 PolarHBondContact N-O 2.84Å; G56-G116 PolarHBondContact O-N 3.5Å |
| 117 | P | 71.1 | Confident | 70.3 | Confident | 116 Ų | 116 | 89 Ų | 89 | 75% | 0.753 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 159.9 | -178.5 | 27.5 | -35.1 | 0 | 0 | 0 | 112.4 | ||
| 118 | A | 76.9 | Confident | 71.1 | Confident | 49 Ų | 49 | 88.6 Ų | 88.6 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 143.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 119 | G | 71.8 | Confident | 72.1 | Confident | 24 Ų | 24 | 87.9 Ų | 87.9 | 25% | 0.247 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 154.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G53 | G53-G119 PolarHBondContact N-O 3.22Å; G53-G119 PolarHBondContact O-N 2.91Å |
| 120 | P | 73.2 | Confident | 72.7 | Confident | 112 Ų | 112 | 89.7 Ų | 89.7 | 73% | 0.727 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 157.4 | 177.2 | 27.5 | -34.6 | 0 | 0 | 0 | 111.6 | ||
| 121 | P | 76.9 | Confident | 73.3 | Confident | 88 Ų | 88 | 90 Ų | 90 | 57% | 0.571 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 141.8 | 170.2 | -22.9 | 33 | 0 | 0 | 0 | 111.5 | P52 | P52-P121 HydrophobicContact CG-CG 4.41Š|
| 122 | G | 73.3 | Confident | 73.9 | Confident | 23 Ų | 23 | 93.6 Ų | 93.6 | 24% | 0.237 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 156.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G50 | G50-G122 PolarHBondContact N-O 3.14Å; G50-G122 PolarHBondContact O-N 3.26Å; G50-G122 VanDerWaalsContact O-N 3.14Å |
| 123 | P | 74.1 | Confident | 74 | Confident | 120 Ų | 120 | 89.9 Ų | 89.9 | 78% | 0.779 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 155.7 | 178.6 | 27 | -34.5 | 0 | 0 | 0 | 111.3 | G50 G125 | G50-P123 PolarHBondContact N-O 3.33Å; P123-G125 PolarHBondContact O-N 2.94Å |
| 124 | K | 77.4 | Confident | 74.2 | Confident | 123 Ų | 123 | 90.2 Ų | 90.2 | 54% | 0.535 | 53% | 0.532 | S | S | . | . | B | Isolated β-bridge | trans | -62.3 | 134.1 | 172.7 | -168.4 | 176.7 | -168.1 | -166.4 | 0 | 109.2 | P46 G47 N49 | P46-K124 HydrophobicContact CB-CD 4.26Å; G47-K124 VanDerWaalsContact O-CG 3.29Å; G47-K124 WeakPolarHBondContact O-CG 3.48Å; N49-K124 WeakPolarHBondContact OD1-CA 3.35Å; N49-K124 WeakPolarHBondContact OD1-CB 3.4Å; N49-K124 VanDerWaalsContact OD1-CG 3.27Å; N49-K124 WeakPolarHBondContact OD1-CG 3.39Å |
| 125 | G | 74.7 | Confident | 73.9 | Confident | 31 Ų | 31 | 85.9 Ų | 85.9 | 32% | 0.32 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 150.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | G47 A48 P123 | G47-G125 PolarHBondContact N-O 3.24Å; A48-G125 PolarHBondContact O-N 3.29Å; P123-G125 PolarHBondContact O-N 2.94Å |
| 126 | D | 77.9 | Confident | 73 | Confident | 154 Ų | 154 | 86 Ų | 86 | 82% | 0.824 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 160.3 | -179.8 | -67.7 | -41.7 | 0 | 0 | 0 | 112.1 | G47 G128 | G47-D126 PolarHBondContact N-O 2.83Å; D126-G128 PolarHBondContact O-N 3.23Å |
| 127 | K | 77.9 | Confident | 72.2 | Confident | 127 Ų | 127 | 87.2 Ų | 87.2 | 55% | 0.552 | 54% | 0.543 | S | S | * | . | B | Isolated β-bridge | trans | -67 | 128.8 | 174.4 | -162.9 | -177.9 | -175.1 | -165.7 | 0 | 108.6 | V43 G44 P46 | V43-K127 HydrophobicContact CB-CD 4.43Å; V43-K127 HydrophobicContact CG1-CD 3.52Å; V43-K127 HydrophobicContact CG1-CG 3.75Å; G44-K127 VanDerWaalsContact O-CG 3.23Å; G44-K127 WeakPolarHBondContact O-CG 3.06Å; P46-K127 HydrophobicContact CG-CB 4.5Å; P46-K127 HydrophobicContact CG-CG 4.3Å |
| 128 | G | 74.4 | Confident | 71.1 | Confident | 32 Ų | 32 | 92.1 Ų | 92.1 | 33% | 0.33 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 150.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V43 G44 D126 | V43-G128 WeakPolarHBondContact CG1-O 3.37Å; G44-G128 PolarHBondContact N-O 3Å; D126-G128 PolarHBondContact O-N 3.23Å |
| 129 | D | 79.5 | Confident | 69.6 | Low | 151 Ų | 151 | 93.4 Ų | 93.4 | 81% | 0.807 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 162.8 | -176.9 | -66.9 | -45.1 | 0 | 0 | 0 | 112.8 | G131 | D129-G131 PolarHBondContact O-N 3.24Š|
| 130 | R | 77.7 | Confident | 68.8 | Low | 151 Ų | 151 | 99 Ų | 99 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.3 | 170.1 | -168.7 | 177.9 | -175.4 | -175.9 | -5.6 | 108.2 | P40 G41 V43 | P40-R130 HydrophobicContact CB-CG 4.23Å; G41-R130 VanDerWaalsContact O-CG 3.29Å; G41-R130 WeakPolarHBondContact O-CG 3.49Å; V43-R130 HydrophobicContact CG2-CB 4.16Å; V43-R130 HydrophobicContact CG2-CG 4.31Å |
| 131 | G | 73.1 | Confident | 67.6 | Low | 32 Ų | 32 | 98.7 Ų | 98.7 | 33% | 0.33 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 143.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P40 G41 D129 | P40-G131 WeakPolarHBondContact CB-O 3.41Å; G41-G131 PolarHBondContact N-O 3.38Å; G41-G131 PolarHBondContact O-N 3.14Å; D129-G131 PolarHBondContact O-N 3.24Å |
| 132 | E | 74.1 | Confident | 66.3 | Low | 165 Ų | 165 | 97.3 Ų | 97.3 | 77% | 0.771 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 149.9 | 176.9 | -70.4 | -63.2 | 149.8 | 0 | 0 | 111.1 | G134 | E132-G134 PolarHBondContact O-N 2.85Š|
| 133 | P | 72.8 | Confident | 65.4 | Low | 74 Ų | 74 | 104.9 Ų | 104.9 | 48% | 0.481 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 139.4 | 168 | -19.3 | 28.9 | 0 | 0 | 0 | 110.4 | P40 A135 | P40-P133 HydrophobicContact CB-CG 4.41Å; P40-P133 HydrophobicContact CG-CB 4.34Å; P40-P133 HydrophobicContact CG-CG 4.09Å; P133-A135 PolarHBondContact O-N 2.88Å |
| 134 | G | 66.5 | Low | 64.7 | Low | 34 Ų | 34 | 102.4 Ų | 102.4 | 35% | 0.351 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 137.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | G38 E132 | G38-G134 PolarHBondContact O-N 2.79Å; E132-G134 PolarHBondContact O-N 2.85Å |
| 135 | A | 64 | Low | 64.3 | Low | 90 Ų | 90 | 102.1 Ų | 102.1 | 74% | 0.744 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 134.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109 | P133 G137 | P133-A135 PolarHBondContact O-N 2.88Å; A135-G137 PolarHBondContact O-N 3.04Å |
| 136 | P | 56 | Low | 64.6 | Low | 87 Ų | 87 | 102.8 Ų | 102.8 | 57% | 0.565 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 137.9 | 169.1 | -19.2 | 28.4 | 0 | 0 | 0 | 108.8 | P37 F138 | P37-P136 HydrophobicContact CB-CG 4.44Å; P37-P136 HydrophobicContact CG-CB 4.08Å; P37-P136 HydrophobicContact CG-CG 3.93Å; P136-F138 PolarHBondContact O-N 3.02Å |
| 137 | G | 53.3 | Low | 65.1 | Low | 49 Ų | 49 | 101 Ų | 101 | 51% | 0.505 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 139.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | A135 C139 | A135-G137 PolarHBondContact O-N 3.04Å; G137-C139 PolarHBondContact O-N 2.85Å |
| 138 | F | 47.3 | Very low | 65.9 | Low | 219 Ų | 219 | 95.1 Ų | 95.1 | 96% | 0.961 | 55% | 0.547 | S | S | * | . | trans | -63.2 | 100.5 | 174.5 | -101.4 | -91.5 | 0 | 0 | 0 | 108.6 | P136 | P136-F138 PolarHBondContact O-N 3.02Š| ||
| 139 | C | 46.8 | Very low | 67 | Low | 75 Ų | 75 | 94.6 Ų | 94.6 | 51% | 0.507 | 54% | 0.54 | S | S | . | . | trans | -82.3 | 115.8 | 165.1 | -162.4 | 0 | 0 | 0 | 0 | 107.4 | G137 C141 | G137-C139 PolarHBondContact O-N 2.85Å; C139-C141 HydrophobicContact CB-CB 3.83Å; C139-C141 WeakPolarHBondContact CB-SG 3.33Å; C139-C141 PolarHBondContact O-N 3.42Å; C139-C141 WeakPolarHBondContact SG-CA 3.03Å; C139-C141 WeakPolarHBondContact SG-CB 3.47Å; C139-C141 PolarHBondContact SG-N 2.94Å; C139-C141 CovalentContact SG-SG 2.05Å; C139-C141 PolarHBondContact SG-SG 3.28Å | ||
| 140 | K | 53.4 | Low | 67.8 | Low | 141 Ų | 141 | 87.5 Ų | 87.5 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | trans | -71.1 | 57.6 | 152.3 | -70.1 | -172.8 | 174.7 | -174.3 | 0 | 107.8 | G142 E288 | K140-G142 PolarHBondContact O-N 2.87Å; K140-E288 IonicContact NZ-OE1 3.31Å; K140-E288 PolarHBondContact NZ-OE1 3.36Å | ||
| 141 | C | 47.8 | Very low | 68.8 | Low | 106 Ų | 106 | 80.9 Ų | 80.9 | 72% | 0.716 | 48% | 0.478 | S | S | * | . | trans | -74.6 | 86.1 | 175.8 | -84 | 0 | 0 | 0 | 0 | 107 | C139 | C139-C141 HydrophobicContact CB-CB 3.83Å; C139-C141 WeakPolarHBondContact CB-SG 3.33Å; C139-C141 PolarHBondContact O-N 3.42Å; C139-C141 WeakPolarHBondContact SG-CA 3.03Å; C139-C141 WeakPolarHBondContact SG-CB 3.47Å; C139-C141 PolarHBondContact SG-N 2.94Å; C139-C141 CovalentContact SG-SG 2.05Å; C139-C141 PolarHBondContact SG-SG 3.28Å | ||
| 142 | G | 51.1 | Low | 70 | Confident | 60 Ų | 60 | 79.3 Ų | 79.3 | 62% | 0.619 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 129.4 | 83.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | K140 | K140-G142 PolarHBondContact O-N 2.87Š|
| 143 | K | 54.4 | Low | 71.1 | Confident | 181 Ų | 181 | 71.5 Ų | 71.5 | 79% | 0.787 | 43% | 0.426 | S | S | * | . | S | Bend | -172.6 | -16.6 | 126.5 | -102.8 | 174.9 | 178.2 | -164.8 | 0 | 116.3 | |||
| 144 | I | 58.1 | Low | 72.3 | Confident | 68 Ų | 68 | 68 Ų | 68 | 35% | 0.349 | 40% | 0.403 | S | S | . | . | trans | -133.4 | 94.8 | 177.1 | -60.3 | 177.4 | 0 | 0 | 0 | 109.8 | L146 L283 | I144-L146 HydrophobicContact CG2-CD1 4.18Å; I144-L146 HydrophobicContact CG2-CD2 3.94Å; I144-L146 HydrophobicContact CG2-CG 3.61Å; I144-L283 HydrophobicContact CD1-CB 3.8Å; I144-L283 HydrophobicContact CG2-CD1 4.33Å | ||
| 145 | V | 69.1 | Low | 73.6 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 71% | 0.709 | 41% | 0.405 | S | S | * | . | trans | -95.2 | 89.5 | 167.6 | -173 | 0 | 0 | 0 | 0 | 106.8 | K147 | V145-K147 HydrophobicContact CG1-CD 4.33Å; V145-K147 HydrophobicContact CG1-CG 3.86Å; V145-K147 PolarHBondContact O-N 3.37Å | ||
| 146 | L | 81.6 | Confident | 75 | Confident | 45 Ų | 45 | 68.8 Ų | 68.8 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | trans | -68.2 | 117.2 | 172.3 | -73.3 | 172.3 | 0 | 0 | 0 | 108.9 | I144 I189 V275 Y279 L280 L283 | I144-L146 HydrophobicContact CG2-CD1 4.18Å; I144-L146 HydrophobicContact CG2-CD2 3.94Å; I144-L146 HydrophobicContact CG2-CG 3.61Å; L146-I189 HydrophobicContact CB-CD1 4Å; L146-I189 HydrophobicContact CB-CG2 4.36Å; L146-I189 HydrophobicContact CD1-CG2 3.95Å; L146-I189 HydrophobicContact CD2-CD1 3.97Å; L146-I189 HydrophobicContact CD2-CG1 4.43Å; L146-I189 HydrophobicContact CG-CD1 4.43Å; L146-V275 HydrophobicContact CB-CG2 4.01Å; L146-V275 HydrophobicContact CD1-CG1 3.73Å; L146-V275 HydrophobicContact CD1-CG2 4.09Å; L146-Y279 HydrophobicContact CD1-CD1 4Å; L146-Y279 HydrophobicContact CD1-CE1 3.69Å; L146-L280 HydrophobicContact CD1-CD2 3.7Å; L146-L283 HydrophobicContact CD1-CD1 3.88Å; L146-L283 HydrophobicContact CD2-CD1 4.39Å | ||
| 147 | K | 87.3 | Confident | 76.9 | Confident | 117 Ų | 117 | 66.2 Ų | 66.2 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | trans | -120.9 | 131.3 | 176.8 | -59.9 | 179.6 | -174.4 | 172.8 | 0 | 108.7 | V145 E174 | V145-K147 HydrophobicContact CG1-CD 4.33Å; V145-K147 HydrophobicContact CG1-CG 3.86Å; V145-K147 PolarHBondContact O-N 3.37Å; K147-E174 HydrophobicContact CB-CG 3.66Å; K147-E174 HydrophobicContact CD-CG 4.13Å; K147-E174 WeakPolarHBondContact CD-OE1 3.18Å; K147-E174 IonicContact NZ-OE1 3.87Å | ||
| 148 | S | 95.3 | Very high | 78.9 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | trans | -141.5 | 109.6 | 169.5 | 172.6 | 0 | 0 | 0 | 0 | 106.9 | H177 Y193 F271 L272 | S148-H177 WeakPolarHBondContact CB-ND1 3.37Å; S148-H177 PolarHBondContact OG-ND1 2.99Å; S148-Y193 WeakPolarHBondContact OG-CE1 3.19Å; S148-F271 CarbonylContact O-C 3.58Å; S148-F271 WeakPolarHBondContact O-CA 3.41Å; S148-L272 PolarHBondContact O-N 2.05Å | ||
| 149 | A | 97 | Very high | 81.2 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 140.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F172 N173 E174 G270 F271 | A149-F172 VanDerWaalsContact C-CE2 3.48Å; A149-F172 HydrophobicContact CB-CE2 3.67Å; A149-F172 HydrophobicContact CB-CZ 4.39Å; A149-F172 WeakPolarHBondContact O-CE2 3.32Å; A149-N173 CarbonylContact O-C 3.52Å; A149-E174 PolarHBondContact N-O 2.82Å; A149-E174 VanDerWaalsContact N-O 3.13Å; A149-E174 PolarHBondContact O-N 2.56Å; A149-G270 CarbonylContact C-O 3.56Å; A149-G270 VanDerWaalsContact CA-O 3.29Å; A149-G270 WeakPolarHBondContact CA-O 3.5Å; A149-F271 HydrophobicContact CB-CB 3.6Å |
| 150 | F | 98.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 153.7 | 174.3 | 71.3 | -80.6 | 0 | 0 | 0 | 110.5 | V152 F172 Y178 F185 F195 F268 S269 G270 | F150-V152 HydrophobicContact CD2-CG1 4.24Å; F150-V152 HydrophobicContact CD2-CG2 4.03Å; F150-V152 HydrophobicContact CE2-CG2 4.17Å; F150-F172 WeakPolarHBondContact CA-O 3.23Å; F150-Y178 AromaticContact CD2-CD2 3.74Å; F150-Y178 HydrophobicContact CD2-CD2 3.74Å; F150-Y178 AromaticContact CD2-CG 3.81Å; F150-Y178 HydrophobicContact CD2-CG 3.81Å; F150-Y178 AromaticContact CE2-CD2 3.69Å; F150-Y178 HydrophobicContact CE2-CD2 3.69Å; F150-Y178 HydrophobicContact CE2-CE2 4.27Å; F150-Y178 HydrophobicContact CE2-CG 4.25Å; F150-Y178 HydrophobicContact CG-CD2 4.37Å; F150-Y178 HydrophobicContact CG-CG 4.17Å; F150-Y178 HydrophobicContact CZ-CD2 4.28Å; F150-F185 AromaticContact CD1-CD2 3.38Å; F150-F185 HydrophobicContact CD1-CD2 3.38Å; F150-F185 AromaticContact CD1-CE2 3.86Å; F150-F185 HydrophobicContact CD1-CE2 3.86Å; F150-F185 HydrophobicContact CD1-CG 4.25Å; F150-F185 HydrophobicContact CE1-CB 3.83Å; F150-F185 AromaticContact CE1-CD2 3.25Å; F150-F185 HydrophobicContact CE1-CD2 3.25Å; F150-F185 AromaticContact CE1-CE2 3.94Å; F150-F185 HydrophobicContact CE1-CE2 3.94Å; F150-F185 AromaticContact CE1-CG 3.67Å; F150-F185 HydrophobicContact CE1-CG 3.67Å; F150-F185 HydrophobicContact CG-CD2 4.44Å; F150-F185 HydrophobicContact CZ-CB 4.01Å; F150-F185 HydrophobicContact CZ-CD2 4.24Å; F150-F185 HydrophobicContact CZ-CG 4.34Å; F150-F195 HydrophobicContact CE1-CD1 4.22Å; F150-F195 AromaticContact CE1-CE1 3.79Å; F150-F195 HydrophobicContact CE1-CE1 3.79Å; F150-F195 HydrophobicContact CZ-CD1 4.09Å; F150-F195 AromaticContact CZ-CE1 3.99Å; F150-F195 HydrophobicContact CZ-CE1 3.99Å; F150-F268 AromaticContact CE2-CD1 3.64Å; F150-F268 HydrophobicContact CE2-CD1 3.64Å; F150-F268 AromaticContact CE2-CE1 3.65Å; F150-F268 HydrophobicContact CE2-CE1 3.65Å; F150-F268 HydrophobicContact CE2-CG 4.09Å; F150-F268 HydrophobicContact CE2-CZ 4.11Å; F150-F268 HydrophobicContact CZ-CD1 4.07Å; F150-F268 AromaticContact CZ-CE1 3.61Å; F150-F268 HydrophobicContact CZ-CE1 3.61Å; F150-F268 HydrophobicContact CZ-CE2 4.17Å; F150-F268 AromaticContact CZ-CZ 3.66Å; F150-F268 HydrophobicContact CZ-CZ 3.66Å; F150-S269 WeakPolarHBondContact O-CA 3.23Å; F150-G270 WeakPolarHBondContact CD1-O 3.4Å; F150-G270 PolarHBondContact N-O 2.82Å; F150-G270 PolarHBondContact O-N 2.86Å |
| 151 | S | 98.3 | Very high | 85.4 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 127.4 | 164.7 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | L171 F172 S269 | S151-L171 WeakPolarHBondContact O-CA 3.25Å; S151-L171 VanDerWaalsContact O-CB 3.29Å; S151-L171 WeakPolarHBondContact O-CB 3.26Å; S151-L171 PolarHBondContact O-N 2.92Å; S151-F172 PolarHBondContact N-O 2.98Å; S151-F172 PolarHBondContact O-N 3.37Å; S151-S269 WeakPolarHBondContact CB-OG 3.29Å; S151-S269 PolarHBondContact OG-OG 3.26Å |
| 152 | V | 98.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 144.4 | -171.6 | -64.5 | 0 | 0 | 0 | 0 | 110 | F150 F167 K169 V170 Y178 L267 F268 | F150-V152 HydrophobicContact CD2-CG1 4.24Å; F150-V152 HydrophobicContact CD2-CG2 4.03Å; F150-V152 HydrophobicContact CE2-CG2 4.17Å; V152-F167 HydrophobicContact CB-CB 3.75Å; V152-F167 HydrophobicContact CG2-CB 3.38Å; V152-F167 HydrophobicContact CG2-CG 3.98Å; V152-K169 CarbonylContact C-O 3.58Å; V152-K169 WeakPolarHBondContact CA-O 3.37Å; V152-V170 HydrophobicContact CG1-CG1 4.49Å; V152-V170 HydrophobicContact CG1-CG2 4.25Å; V152-Y178 HydrophobicContact CB-CE1 4.11Å; V152-Y178 HydrophobicContact CG1-CD1 3.58Å; V152-Y178 HydrophobicContact CG1-CE1 3.57Å; V152-Y178 HydrophobicContact CG1-CG 4.22Å; V152-Y178 HydrophobicContact CG2-CD1 4.45Å; V152-Y178 HydrophobicContact CG2-CD2 4.47Å; V152-Y178 HydrophobicContact CG2-CE1 3.96Å; V152-Y178 HydrophobicContact CG2-CE2 4Å; V152-L267 CarbonylContact O-C 3.57Å; V152-L267 WeakPolarHBondContact O-CA 3.29Å; V152-F268 HydrophobicContact CG2-CB 4.11Å; V152-F268 HydrophobicContact CG2-CD1 4.36Å; V152-F268 VanDerWaalsContact CG2-O 3.28Å; V152-F268 WeakPolarHBondContact CG2-O 3.34Å; V152-F268 PolarHBondContact N-O 2.96Å; V152-F268 PolarHBondContact O-N 2.77Å |
| 153 | G | 97.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 165.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F167 N168 K169 S266 | G153-F167 CarbonylContact O-C 3.5Å; G153-F167 VanDerWaalsContact O-C 3.24Å; G153-F167 WeakPolarHBondContact O-CA 3.49Å; G153-F167 WeakPolarHBondContact O-CB 3.49Å; G153-N168 PolarHBondContact O-N 2.86Å; G153-N168 VanDerWaalsContact O-N 3.14Å; G153-K169 PolarHBondContact N-O 3.18Å; G153-K169 WeakPolarHBondContact O-CA 3.35Å; G153-K169 WeakPolarHBondContact O-CB 3.31Å; G153-K169 PolarHBondContact O-N 2.85Å; G153-S266 WeakPolarHBondContact CA-O 3.26Å |
| 154 | I | 96.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | trans | -104.2 | 146.2 | 170.9 | -163.1 | 171.3 | 0 | 0 | 0 | 109.3 | T156 P159 I165 F167 L257 S259 S266 | I154-T156 WeakPolarHBondContact CD1-O 3.41Å; I154-T156 WeakPolarHBondContact CG1-O 3.47Å; I154-P159 HydrophobicContact CD1-CB 4.15Å; I154-P159 HydrophobicContact CD1-CG 4.17Å; I154-I165 HydrophobicContact CD1-CG2 3.73Å; I154-F167 HydrophobicContact CB-CD1 3.79Å; I154-F167 HydrophobicContact CB-CE1 4.17Å; I154-F167 HydrophobicContact CB-CG 4.4Å; I154-F167 HydrophobicContact CG2-CD1 4.4Å; I154-F167 HydrophobicContact CG2-CE1 4.37Å; I154-L257 HydrophobicContact CD1-CD2 4Å; I154-L257 HydrophobicContact CG2-CD2 3.8Å; I154-S259 PolarHBondContact O-OG 3.31Å; I154-S266 PolarHBondContact N-O 3.16Å | ||
| 155 | T | 94.6 | Very high | 93.7 | Very high | 63 Ų | 63 | 51 Ų | 51 | 39% | 0.387 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -107.8 | -1.3 | 175.6 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | N168 K169 | T155-N168 PolarHBondContact N-OD1 2.77Å; T155-N168 PolarHBondContact OG1-ND2 3.41Å; T155-N168 PolarHBondContact OG1-OD1 3.34Å; T155-K169 HydrophobicContact CG2-CB 3.76Å; T155-K169 HydrophobicContact CG2-CD 4.34Å; T155-K169 HydrophobicContact CG2-CG 4.48Å |
| 156 | T | 94.1 | Very high | 95 | Very high | 78 Ų | 78 | 48 Ų | 48 | 48% | 0.479 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -122.1 | 138.9 | -178.3 | 58.7 | 0 | 0 | 0 | 0 | 109.2 | I154 | I154-T156 WeakPolarHBondContact CD1-O 3.41Å; I154-T156 WeakPolarHBondContact CG1-O 3.47Å |
| 157 | S | 95 | Very high | 95.8 | Very high | 33 Ų | 33 | 45.9 Ų | 45.9 | 23% | 0.231 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -85.7 | 154.1 | 172.7 | -65.7 | 0 | 0 | 0 | 0 | 109.9 | F258 S259 | S157-F258 WeakPolarHBondContact OG-CD2 3.44Å; S157-S259 PolarHBondContact OG-N 2.83Å; S157-S259 PolarHBondContact OG-O 2.87Å |
| 158 | Y | 95.1 | Very high | 96.1 | Very high | 85 Ų | 85 | 43.7 Ų | 43.7 | 33% | 0.333 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 56.7 | 59 | 174.3 | -41.7 | -66.7 | 0 | 0 | 0 | 113.7 | A202 N203 N255 L257 | Y158-A202 PolarHBondContact OH-O 2.81Å; Y158-N203 PolarHBondContact OH-ND2 3.1Å; Y158-N255 VanDerWaalsContact C-ND2 3.27Å; Y158-N255 WeakPolarHBondContact CA-ND2 3.4Å; Y158-N255 WeakPolarHBondContact CD1-O 3.39Å; Y158-L257 PolarHBondContact N-O 2.91Å |
| 159 | P | 95.3 | Very high | 96 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 10% | 0.104 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 162.1 | 176.9 | 29 | -37 | 0 | 0 | 0 | 111.6 | I154 E161 I165 N255 L257 | I154-P159 HydrophobicContact CD1-CB 4.15Å; I154-P159 HydrophobicContact CD1-CG 4.17Å; P159-E161 PolarHBondContact O-N 3.48Å; P159-I165 HydrophobicContact CB-CG1 4.41Å; P159-I165 HydrophobicContact CB-CG2 4.11Å; P159-I165 HydrophobicContact CG-CD1 4.45Å; P159-I165 HydrophobicContact CG-CG1 3.99Å; P159-I165 HydrophobicContact CG-CG2 3.91Å; P159-N255 PolarHBondContact O-ND2 2.58Å; P159-L257 HydrophobicContact CG-CD1 4.17Å; P159-L257 HydrophobicContact CG-CD2 4.27Å |
| 160 | E | 94.8 | Very high | 95.9 | Very high | 145 Ų | 145 | 49.2 Ų | 49.2 | 68% | 0.678 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 134.9 | -178.7 | -164.8 | 170.3 | 176.5 | 0 | 0 | 112.4 | L163 | E160-L163 HydrophobicContact CB-CD1 4.24Å; E160-L163 VanDerWaalsContact CD-CD1 3.4Å; E160-L163 HydrophobicContact CG-CD1 3.87Å; E160-L163 WeakPolarHBondContact OE2-CD1 3.28Å |
| 161 | E | 94.8 | Very high | 95.7 | Very high | 50 Ų | 50 | 53.4 Ų | 53.4 | 23% | 0.234 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 152.8 | -178.5 | -61.7 | 177.4 | 177.8 | 0 | 0 | 111.3 | P159 L163 I249 T252 D253 N255 | P159-E161 PolarHBondContact O-N 3.48Å; E161-L163 PolarHBondContact O-N 2.8Å; E161-L163 VanDerWaalsContact O-N 3.15Å; E161-I249 HydrophobicContact CG-CB 4.38Å; E161-I249 HydrophobicContact CG-CG2 4.05Å; E161-T252 VanDerWaalsContact OE2-CA 3.27Å; E161-T252 WeakPolarHBondContact OE2-CA 3.22Å; E161-D253 WeakPolarHBondContact OE1-CA 3.18Å; E161-D253 PolarHBondContact OE1-N 3.31Å; E161-D253 VanDerWaalsContact OE1-N 3.08Å; E161-D253 PolarHBondContact OE2-N 3.14Å; E161-D253 VanDerWaalsContact OE2-N 3.16Å; E161-N255 HydrophobicContact CG-CB 3.99Å; E161-N255 WeakPolarHBondContact OE1-CB 3.33Å |
| 162 | R | 93.4 | Very high | 95.5 | Very high | 167 Ų | 167 | 57.6 Ų | 57.6 | 63% | 0.63 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 17.5 | 179.6 | -51 | -170.9 | -177.8 | -167.8 | 3.7 | 115.4 | I249 T252 | R162-I249 WeakPolarHBondContact CA-O 3.41Å; R162-I249 PolarHBondContact N-O 2.92Å; R162-T252 PolarHBondContact NH2-OG1 2.83Å |
| 163 | L | 95.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 59.4 Ų | 59.4 | 40% | 0.403 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -123.9 | 158.5 | 171.3 | -65.8 | 179.7 | 0 | 0 | 0 | 109.7 | E160 E161 I165 E248 | E160-L163 HydrophobicContact CB-CD1 4.24Å; E160-L163 VanDerWaalsContact CD-CD1 3.4Å; E160-L163 HydrophobicContact CG-CD1 3.87Å; E160-L163 WeakPolarHBondContact OE2-CD1 3.28Å; E161-L163 PolarHBondContact O-N 2.8Å; E161-L163 VanDerWaalsContact O-N 3.15Å; L163-I165 PolarHBondContact O-N 2.85Å; L163-E248 WeakPolarHBondContact O-CB 3.39Å |
| 164 | P | 97.7 | Very high | 94.9 | Very high | 37 Ų | 37 | 63.9 Ų | 63.9 | 24% | 0.24 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -54.5 | 128.2 | 169.2 | -24.9 | 34.7 | 0 | 0 | 0 | 111.2 | V166 T182 K184 W246 | P164-V166 PolarHBondContact O-N 2.91Å; P164-T182 WeakPolarHBondContact CB-O 3.33Å; P164-K184 HydrophobicContact CB-CG 4.42Å; P164-W246 HydrophobicContact CB-CB 4.35Å; P164-W246 HydrophobicContact CB-CG 4.05Å; P164-W246 HydrophobicContact CG-CG 4.26Å |
| 165 | I | 97.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | trans | -73.5 | 124 | 176.8 | -63.2 | 162.2 | 0 | 0 | 0 | 108.4 | I154 P159 L163 F167 G183 I208 L247 I249 L257 | I154-I165 HydrophobicContact CD1-CG2 3.73Å; P159-I165 HydrophobicContact CB-CG1 4.41Å; P159-I165 HydrophobicContact CB-CG2 4.11Å; P159-I165 HydrophobicContact CG-CD1 4.45Å; P159-I165 HydrophobicContact CG-CG1 3.99Å; P159-I165 HydrophobicContact CG-CG2 3.91Å; L163-I165 PolarHBondContact O-N 2.85Å; I165-F167 HydrophobicContact CB-CD2 4.39Å; I165-F167 HydrophobicContact CB-CE2 3.82Å; I165-F167 HydrophobicContact CG2-CD2 3.91Å; I165-F167 HydrophobicContact CG2-CE2 3.44Å; I165-F167 VanDerWaalsContact CG2-CE2 3.44Å; I165-F167 HydrophobicContact CG2-CZ 3.85Å; I165-F167 WeakPolarHBondContact O-CD2 3.44Å; I165-F167 PolarHBondContact O-N 3.48Å; I165-G183 WeakPolarHBondContact O-CA 3.36Å; I165-I208 HydrophobicContact CD1-CD1 3.77Å; I165-I208 HydrophobicContact CD1-CG1 4.09Å; I165-L247 WeakPolarHBondContact CB-O 3.39Å; I165-L247 HydrophobicContact CD1-CB 4.11Å; I165-L247 PolarHBondContact N-O 3.25Å; I165-I249 HydrophobicContact CD1-CD1 3.91Å; I165-I249 HydrophobicContact CD1-CG1 3.96Å; I165-I249 HydrophobicContact CG1-CG1 4.46Å; I165-L257 HydrophobicContact CD1-CD1 4.01Å; I165-L257 HydrophobicContact CG2-CD1 4.34Å | ||
| 166 | V | 97.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 71 Ų | 71 | 33% | 0.333 | 36% | 0.359 | S | S | . | . | trans | -88.2 | 98 | -179.9 | -175.5 | 0 | 0 | 0 | 0 | 110 | P164 N168 P180 | P164-V166 PolarHBondContact O-N 2.91Å; V166-N168 HydrophobicContact CG1-CB 4.46Å; V166-N168 PolarHBondContact O-N 2.88Å; V166-P180 WeakPolarHBondContact CG1-O 3.44Å | ||
| 167 | F | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -80.1 | 100.9 | 167.8 | -62.4 | -101.6 | 0 | 0 | 0 | 108.5 | V152 G153 I154 I165 Y178 I199 L247 F268 | V152-F167 HydrophobicContact CB-CB 3.75Å; V152-F167 HydrophobicContact CG2-CB 3.38Å; V152-F167 HydrophobicContact CG2-CG 3.98Å; G153-F167 CarbonylContact O-C 3.5Å; G153-F167 VanDerWaalsContact O-C 3.24Å; G153-F167 WeakPolarHBondContact O-CA 3.49Å; G153-F167 WeakPolarHBondContact O-CB 3.49Å; I154-F167 HydrophobicContact CB-CD1 3.79Å; I154-F167 HydrophobicContact CB-CE1 4.17Å; I154-F167 HydrophobicContact CB-CG 4.4Å; I154-F167 HydrophobicContact CG2-CD1 4.4Å; I154-F167 HydrophobicContact CG2-CE1 4.37Å; I165-F167 HydrophobicContact CB-CD2 4.39Å; I165-F167 HydrophobicContact CB-CE2 3.82Å; I165-F167 HydrophobicContact CG2-CD2 3.91Å; I165-F167 HydrophobicContact CG2-CE2 3.44Å; I165-F167 VanDerWaalsContact CG2-CE2 3.44Å; I165-F167 HydrophobicContact CG2-CZ 3.85Å; I165-F167 WeakPolarHBondContact O-CD2 3.44Å; I165-F167 PolarHBondContact O-N 3.48Å; F167-Y178 WeakPolarHBondContact CA-OH 3.41Å; F167-Y178 VanDerWaalsContact CB-OH 3.3Å; F167-Y178 WeakPolarHBondContact CB-OH 3.28Å; F167-Y178 PolarHBondContact N-OH 2.73Å; F167-Y178 VanDerWaalsContact N-OH 3.15Å; F167-Y178 WeakPolarHBondContact O-CE1 3.47Å; F167-Y178 PolarHBondContact O-OH 3.37Å; F167-I199 HydrophobicContact CE1-CD1 4.24Å; F167-I199 HydrophobicContact CZ-CD1 4.1Å; F167-L247 HydrophobicContact CE2-CB 4.18Å; F167-L247 HydrophobicContact CE2-CD1 3.77Å; F167-L247 HydrophobicContact CE2-CG 4.41Å; F167-L247 HydrophobicContact CZ-CD1 3.7Å; F167-F268 HydrophobicContact CD1-CB 4.17Å; F167-F268 HydrophobicContact CD2-CB 4.07Å; F167-F268 HydrophobicContact CD2-CD1 4.33Å; F167-F268 HydrophobicContact CE1-CB 4.06Å; F167-F268 HydrophobicContact CE2-CB 3.95Å; F167-F268 HydrophobicContact CE2-CD1 4.44Å; F167-F268 HydrophobicContact CG-CB 4.21Å; F167-F268 HydrophobicContact CZ-CB 3.96Å | ||
| 168 | N | 93.6 | Very high | 94.5 | Very high | 72 Ų | 72 | 67.2 Ų | 67.2 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | trans | -93 | -14.4 | -170.3 | 65.8 | -57.1 | 0 | 0 | 0 | 114.3 | G153 T155 V166 V170 | G153-N168 PolarHBondContact O-N 2.86Å; G153-N168 VanDerWaalsContact O-N 3.14Å; T155-N168 PolarHBondContact N-OD1 2.77Å; T155-N168 PolarHBondContact OG1-ND2 3.41Å; T155-N168 PolarHBondContact OG1-OD1 3.34Å; V166-N168 HydrophobicContact CG1-CB 4.46Å; V166-N168 PolarHBondContact O-N 2.88Å; N168-V170 PolarHBondContact O-N 3.14Å | ||
| 169 | K | 94.3 | Very high | 94.5 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 92.8 | 177.2 | 179.1 | -177.1 | 172 | -173.1 | 0 | 109 | V152 G153 T155 L171 D265 | V152-K169 CarbonylContact C-O 3.58Å; V152-K169 WeakPolarHBondContact CA-O 3.37Å; G153-K169 PolarHBondContact N-O 3.18Å; G153-K169 WeakPolarHBondContact O-CA 3.35Å; G153-K169 WeakPolarHBondContact O-CB 3.31Å; G153-K169 PolarHBondContact O-N 2.85Å; T155-K169 HydrophobicContact CG2-CB 3.76Å; T155-K169 HydrophobicContact CG2-CD 4.34Å; T155-K169 HydrophobicContact CG2-CG 4.48Å; K169-L171 HydrophobicContact CG-CD2 4.28Å; K169-L171 PolarHBondContact O-N 2.9Å; K169-D265 IonicContact NZ-OD1 2.8Å; K169-D265 PolarHBondContact NZ-OD1 3.41Å; K169-D265 IonicContact NZ-OD2 3Å |
| 170 | V | 94.7 | Very high | 94.4 | Very high | 66 Ų | 66 | 67.4 Ų | 67.4 | 40% | 0.4 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 117.5 | 177.9 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | V152 N168 N173 P180 | V152-V170 HydrophobicContact CG1-CG1 4.49Å; V152-V170 HydrophobicContact CG1-CG2 4.25Å; N168-V170 PolarHBondContact O-N 3.14Å; V170-N173 HydrophobicContact CG1-CB 3.8Å; V170-P180 HydrophobicContact CG2-CB 3.98Å; V170-P180 HydrophobicContact CG2-CG 4.24Å |
| 171 | L | 94.1 | Very high | 94.4 | Very high | 90 Ų | 90 | 65.4 Ų | 65.4 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -46.3 | 172.1 | -54 | 179 | 0 | 0 | 0 | 109.9 | S151 K169 L267 | S151-L171 WeakPolarHBondContact O-CA 3.25Å; S151-L171 VanDerWaalsContact O-CB 3.29Å; S151-L171 WeakPolarHBondContact O-CB 3.26Å; S151-L171 PolarHBondContact O-N 2.92Å; K169-L171 HydrophobicContact CG-CD2 4.28Å; K169-L171 PolarHBondContact O-N 2.9Å; L171-L267 HydrophobicContact CD1-CD2 3.96Å |
| 172 | F | 93.6 | Very high | 94.4 | Very high | 100 Ų | 100 | 65.8 Ų | 65.8 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 157.4 | 165.5 | 72.8 | -89.1 | 0 | 0 | 0 | 110.3 | A149 F150 S151 | A149-F172 VanDerWaalsContact C-CE2 3.48Å; A149-F172 HydrophobicContact CB-CE2 3.67Å; A149-F172 HydrophobicContact CB-CZ 4.39Å; A149-F172 WeakPolarHBondContact O-CE2 3.32Å; F150-F172 WeakPolarHBondContact CA-O 3.23Å; S151-F172 PolarHBondContact N-O 2.98Å; S151-F172 PolarHBondContact O-N 3.37Å |
| 173 | N | 92.8 | Very high | 94.6 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 20% | 0.203 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 69.7 | -178.4 | -170.7 | 20.6 | 0 | 0 | 0 | 110.6 | A149 V170 G175 E176 Y178 | A149-N173 CarbonylContact O-C 3.52Å; V170-N173 HydrophobicContact CG1-CB 3.8Å; N173-G175 PolarHBondContact O-N 2.93Å; N173-E176 PolarHBondContact O-N 2.79Å; N173-E176 VanDerWaalsContact O-N 3.14Å; N173-Y178 PolarHBondContact ND2-O 3.4Å; N173-Y178 WeakPolarHBondContact OD1-CB 3.45Å; N173-Y178 PolarHBondContact OD1-N 2.8Å; N173-Y178 VanDerWaalsContact OD1-N 3.14Å |
| 174 | E | 90.4 | Very high | 94.7 | Very high | 94 Ų | 94 | 56.1 Ų | 56.1 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 122.1 | 179.8 | -173.1 | 76.3 | 173.2 | 0 | 0 | 110.3 | K147 A149 | K147-E174 HydrophobicContact CB-CG 3.66Å; K147-E174 HydrophobicContact CD-CG 4.13Å; K147-E174 WeakPolarHBondContact CD-OE1 3.18Å; K147-E174 IonicContact NZ-OE1 3.87Å; A149-E174 PolarHBondContact N-O 2.82Å; A149-E174 VanDerWaalsContact N-O 3.13Å; A149-E174 PolarHBondContact O-N 2.56Å |
| 175 | G | 87.1 | Confident | 94.7 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | -5.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | N173 H177 | N173-G175 PolarHBondContact O-N 2.93Å; G175-H177 PolarHBondContact O-CD2 3.28Å; G175-H177 PolarHBondContact O-N 3.42Å; G175-H177 VanDerWaalsContact O-N 3.1Å; G175-H177 PolarHBondContact O-NE2 3.19Å; G175-H177 VanDerWaalsContact O-NE2 3.16Å |
| 176 | E | 92.3 | Very high | 94.7 | Very high | 172 Ų | 172 | 57.5 Ų | 57.5 | 80% | 0.804 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 56.5 | 23.9 | -179.1 | -55.4 | -168.7 | 142.4 | 0 | 0 | 114.3 | N173 Y178 | N173-E176 PolarHBondContact O-N 2.79Å; N173-E176 VanDerWaalsContact O-N 3.14Å; E176-Y178 VanDerWaalsContact C-N 3.35Å; E176-Y178 PolarHBondContact O-N 2.87Å |
| 177 | H | 95.1 | Very high | 94.6 | Very high | 30 Ų | 30 | 55 Ų | 55 | 14% | 0.139 | 30% | 0.298 | C | S | . | . | trans | -78.7 | -15.7 | -176 | -60.9 | 152.6 | 0 | 0 | 0 | 113.6 | S148 G175 F185 I186 A188 | S148-H177 WeakPolarHBondContact CB-ND1 3.37Å; S148-H177 PolarHBondContact OG-ND1 2.99Å; G175-H177 PolarHBondContact O-CD2 3.28Å; G175-H177 PolarHBondContact O-N 3.42Å; G175-H177 VanDerWaalsContact O-N 3.1Å; G175-H177 PolarHBondContact O-NE2 3.19Å; G175-H177 VanDerWaalsContact O-NE2 3.16Å; H177-F185 HydrophobicContact CB-CD2 3.93Å; H177-F185 HydrophobicContact CB-CE2 3.42Å; H177-F185 VanDerWaalsContact CB-CE2 3.42Å; H177-F185 HydrophobicContact CB-CZ 4.09Å; H177-F185 CarbonylContact O-C 3.51Å; H177-F185 WeakPolarHBondContact O-CA 3.48Å; H177-I186 WeakPolarHBondContact CB-O 3.32Å; H177-I186 PolarHBondContact O-N 3.05Å; H177-A188 VanDerWaalsContact NE2-CB 3.28Å; H177-A188 WeakPolarHBondContact NE2-CB 3.46Å | ||
| 178 | Y | 97.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.2 | 168.4 | 178 | -90.6 | 0 | 0 | 0 | 111 | F150 V152 F167 N173 E176 P180 G183 F185 F268 | F150-Y178 AromaticContact CD2-CD2 3.74Å; F150-Y178 HydrophobicContact CD2-CD2 3.74Å; F150-Y178 AromaticContact CD2-CG 3.81Å; F150-Y178 HydrophobicContact CD2-CG 3.81Å; F150-Y178 AromaticContact CE2-CD2 3.69Å; F150-Y178 HydrophobicContact CE2-CD2 3.69Å; F150-Y178 HydrophobicContact CE2-CE2 4.27Å; F150-Y178 HydrophobicContact CE2-CG 4.25Å; F150-Y178 HydrophobicContact CG-CD2 4.37Å; F150-Y178 HydrophobicContact CG-CG 4.17Å; F150-Y178 HydrophobicContact CZ-CD2 4.28Å; V152-Y178 HydrophobicContact CB-CE1 4.11Å; V152-Y178 HydrophobicContact CG1-CD1 3.58Å; V152-Y178 HydrophobicContact CG1-CE1 3.57Å; V152-Y178 HydrophobicContact CG1-CG 4.22Å; V152-Y178 HydrophobicContact CG2-CD1 4.45Å; V152-Y178 HydrophobicContact CG2-CD2 4.47Å; V152-Y178 HydrophobicContact CG2-CE1 3.96Å; V152-Y178 HydrophobicContact CG2-CE2 4Å; F167-Y178 WeakPolarHBondContact CA-OH 3.41Å; F167-Y178 VanDerWaalsContact CB-OH 3.3Å; F167-Y178 WeakPolarHBondContact CB-OH 3.28Å; F167-Y178 PolarHBondContact N-OH 2.73Å; F167-Y178 VanDerWaalsContact N-OH 3.15Å; F167-Y178 WeakPolarHBondContact O-CE1 3.47Å; F167-Y178 PolarHBondContact O-OH 3.37Å; N173-Y178 PolarHBondContact ND2-O 3.4Å; N173-Y178 WeakPolarHBondContact OD1-CB 3.45Å; N173-Y178 PolarHBondContact OD1-N 2.8Å; N173-Y178 VanDerWaalsContact OD1-N 3.14Å; E176-Y178 VanDerWaalsContact C-N 3.35Å; E176-Y178 PolarHBondContact O-N 2.87Å; Y178-P180 HydrophobicContact CD1-CB 4.47Å; Y178-P180 HydrophobicContact CE1-CB 3.99Å; Y178-P180 WeakPolarHBondContact O-CD 3.3Å; Y178-G183 WeakPolarHBondContact OH-CA 3.34Å; Y178-F185 HydrophobicContact CD2-CB 4.4Å; Y178-F268 HydrophobicContact CE2-CD1 4.26Å; Y178-F268 HydrophobicContact CE2-CE1 4.38Å |
| 179 | N | 95.2 | Very high | 94.4 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 31% | 0.31 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 105.6 | 179 | -178.4 | -25.8 | 0 | 0 | 0 | 111 | S181 T182 G183 K184 | N179-S181 PolarHBondContact O-N 3.33Å; N179-S181 WeakPolarHBondContact OD1-CA 3.36Å; N179-S181 WeakPolarHBondContact OD1-CB 3.33Å; N179-S181 PolarHBondContact OD1-N 3.03Å; N179-T182 WeakPolarHBondContact CB-OG1 3.14Å; N179-T182 PolarHBondContact O-N 3Å; N179-T182 VanDerWaalsContact O-N 3.13Å; N179-T182 PolarHBondContact O-OG1 2.78Å; N179-T182 PolarHBondContact OD1-N 3.4Å; N179-G183 PolarHBondContact O-N 3.35Å; N179-K184 PolarHBondContact N-O 3.45Å |
| 180 | P | 93.4 | Very high | 94.4 | Very high | 47 Ų | 47 | 51 Ų | 51 | 31% | 0.305 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -7.2 | -177.2 | 31.3 | -36.7 | 0 | 0 | 0 | 114.2 | V166 V170 Y178 | V166-P180 WeakPolarHBondContact CG1-O 3.44Å; V170-P180 HydrophobicContact CG2-CB 3.98Å; V170-P180 HydrophobicContact CG2-CG 4.24Å; Y178-P180 HydrophobicContact CD1-CB 4.47Å; Y178-P180 HydrophobicContact CE1-CB 3.99Å; Y178-P180 WeakPolarHBondContact O-CD 3.3Å |
| 181 | S | 93.8 | Very high | 94.4 | Very high | 104 Ų | 104 | 47.9 Ų | 47.9 | 73% | 0.727 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -21.2 | 171.8 | -54.9 | 0 | 0 | 0 | 0 | 112.7 | N179 | N179-S181 PolarHBondContact O-N 3.33Å; N179-S181 WeakPolarHBondContact OD1-CA 3.36Å; N179-S181 WeakPolarHBondContact OD1-CB 3.33Å; N179-S181 PolarHBondContact OD1-N 3.03Å |
| 182 | T | 95.7 | Very high | 94.6 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 35% | 0.35 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -18.4 | -176.6 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | P164 N179 K184 | P164-T182 WeakPolarHBondContact CB-O 3.33Å; N179-T182 WeakPolarHBondContact CB-OG1 3.14Å; N179-T182 PolarHBondContact O-N 3Å; N179-T182 VanDerWaalsContact O-N 3.13Å; N179-T182 PolarHBondContact O-OG1 2.78Å; N179-T182 PolarHBondContact OD1-N 3.4Å; T182-K184 VanDerWaalsContact C-N 3.29Å; T182-K184 PolarHBondContact OG1-N 3.33Å |
| 183 | G | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 7.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I165 Y178 N179 | I165-G183 WeakPolarHBondContact O-CA 3.36Å; Y178-G183 WeakPolarHBondContact OH-CA 3.34Å; N179-G183 PolarHBondContact O-N 3.35Å |
| 184 | K | 97.9 | Very high | 95.1 | Very high | 41 Ų | 41 | 43.1 Ų | 43.1 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.1 | -172.9 | -59.2 | -171.4 | 177.7 | -175 | 0 | 112.2 | P164 N179 T182 E244 W246 | P164-K184 HydrophobicContact CB-CG 4.42Å; N179-K184 PolarHBondContact N-O 3.45Å; T182-K184 VanDerWaalsContact C-N 3.29Å; T182-K184 PolarHBondContact OG1-N 3.33Å; K184-E244 HydrophobicContact CD-CB 4.48Å; K184-E244 HydrophobicContact CD-CG 4.44Å; K184-E244 WeakPolarHBondContact CD-OE1 3.24Å; K184-E244 IonicContact NZ-OE1 4Å; K184-E244 PolarHBondContact NZ-OE1 2.88Å; K184-E244 IonicContact NZ-OE2 3.93Å; K184-E244 PolarHBondContact NZ-OE2 2.96Å; K184-W246 HydrophobicContact CD-CE3 4.38Å; K184-W246 HydrophobicContact CG-CB 4.06Å; K184-W246 HydrophobicContact CG-CE3 4.49Å; K184-W246 HydrophobicContact CG-CG 4.44Å |
| 185 | F | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 130.9 | 158.7 | 174.6 | -94 | 0 | 0 | 0 | 109.1 | F150 H177 Y178 C187 Y193 F195 L239 E244 V245 | F150-F185 AromaticContact CD1-CD2 3.38Å; F150-F185 HydrophobicContact CD1-CD2 3.38Å; F150-F185 AromaticContact CD1-CE2 3.86Å; F150-F185 HydrophobicContact CD1-CE2 3.86Å; F150-F185 HydrophobicContact CD1-CG 4.25Å; F150-F185 HydrophobicContact CE1-CB 3.83Å; F150-F185 AromaticContact CE1-CD2 3.25Å; F150-F185 HydrophobicContact CE1-CD2 3.25Å; F150-F185 AromaticContact CE1-CE2 3.94Å; F150-F185 HydrophobicContact CE1-CE2 3.94Å; F150-F185 AromaticContact CE1-CG 3.67Å; F150-F185 HydrophobicContact CE1-CG 3.67Å; F150-F185 HydrophobicContact CG-CD2 4.44Å; F150-F185 HydrophobicContact CZ-CB 4.01Å; F150-F185 HydrophobicContact CZ-CD2 4.24Å; F150-F185 HydrophobicContact CZ-CG 4.34Å; H177-F185 HydrophobicContact CB-CD2 3.93Å; H177-F185 HydrophobicContact CB-CE2 3.42Å; H177-F185 VanDerWaalsContact CB-CE2 3.42Å; H177-F185 HydrophobicContact CB-CZ 4.09Å; H177-F185 CarbonylContact O-C 3.51Å; H177-F185 WeakPolarHBondContact O-CA 3.48Å; Y178-F185 HydrophobicContact CD2-CB 4.4Å; F185-C187 HydrophobicContact CE1-CB 4.02Å; F185-Y193 HydrophobicContact CE1-CD1 4.27Å; F185-Y193 HydrophobicContact CE1-CE1 4.08Å; F185-Y193 HydrophobicContact CE2-CE1 4.5Å; F185-Y193 HydrophobicContact CZ-CD1 4.01Å; F185-Y193 AromaticContact CZ-CE1 3.53Å; F185-Y193 HydrophobicContact CZ-CE1 3.53Å; F185-F195 HydrophobicContact CB-CE1 4.42Å; F185-F195 AromaticContact CD1-CE1 3.95Å; F185-F195 HydrophobicContact CD1-CE1 3.95Å; F185-F195 AromaticContact CD1-CZ 3.77Å; F185-F195 HydrophobicContact CD1-CZ 3.77Å; F185-F195 HydrophobicContact CE1-CE1 4.44Å; F185-F195 AromaticContact CE1-CZ 3.98Å; F185-F195 HydrophobicContact CE1-CZ 3.98Å; F185-F195 HydrophobicContact CG-CE1 4.12Å; F185-F195 HydrophobicContact CG-CZ 4.4Å; F185-L239 HydrophobicContact CD1-CD1 4.23Å; F185-L239 HydrophobicContact CE1-CD1 3.73Å; F185-E244 CarbonylContact O-C 3.53Å; F185-E244 WeakPolarHBondContact O-CA 3.43Å; F185-V245 HydrophobicContact CB-CB 4.42Å; F185-V245 HydrophobicContact CD1-CB 4.33Å; F185-V245 HydrophobicContact CD1-CG2 4.5Å; F185-V245 PolarHBondContact N-O 3.2Å; F185-V245 PolarHBondContact O-N 3.01Å |
| 186 | I | 97.3 | Very high | 96 | Very high | 67 Ų | 67 | 37.9 Ų | 37.9 | 34% | 0.344 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 118 | 176.1 | -55.6 | 175 | 0 | 0 | 0 | 107.1 | H177 A188 | H177-I186 WeakPolarHBondContact CB-O 3.32Å; H177-I186 PolarHBondContact O-N 3.05Å; I186-A188 PolarHBondContact O-N 3.11Å |
| 187 | C | 95.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | trans | -68.3 | 126.2 | -179.4 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | F185 I189 L239 Q240 P241 E242 D243 | F185-C187 HydrophobicContact CE1-CB 4.02Å; C187-I189 PolarHBondContact SG-O 2.88Å; C187-L239 HydrophobicContact CB-CB 3.94Å; C187-L239 HydrophobicContact CB-CD1 4.07Å; C187-L239 VanDerWaalsContact SG-CB 3.56Å; C187-Q240 VanDerWaalsContact CB-O 3.26Å; C187-Q240 WeakPolarHBondContact CB-O 3.32Å; C187-P241 CarbonylContact O-C 3.57Å; C187-P241 WeakPolarHBondContact O-CA 3.48Å; C187-E242 PolarHBondContact O-N 3.26Å; C187-D243 HydrophobicContact CB-CB 4.28Å; C187-D243 PolarHBondContact N-O 3.48Å | ||
| 188 | A | 92.2 | Very high | 96.4 | Very high | 44 Ų | 44 | 31.7 Ų | 31.7 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | trans | -104.7 | -22.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H177 I186 | H177-A188 VanDerWaalsContact NE2-CB 3.28Å; H177-A188 WeakPolarHBondContact NE2-CB 3.46Å; I186-A188 PolarHBondContact O-N 3.11Å | ||
| 189 | I | 93.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.062 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -119.9 | 113 | -171.8 | -56.1 | 170.7 | 0 | 0 | 0 | 107.9 | L146 C187 Y193 L272 V275 Y279 | L146-I189 HydrophobicContact CB-CD1 4Å; L146-I189 HydrophobicContact CB-CG2 4.36Å; L146-I189 HydrophobicContact CD1-CG2 3.95Å; L146-I189 HydrophobicContact CD2-CD1 3.97Å; L146-I189 HydrophobicContact CD2-CG1 4.43Å; L146-I189 HydrophobicContact CG-CD1 4.43Å; C187-I189 PolarHBondContact SG-O 2.88Å; I189-Y193 VanDerWaalsContact O-CE2 3.25Å; I189-Y193 WeakPolarHBondContact O-CE2 3.2Å; I189-Y193 PolarHBondContact O-OH 2.82Å; I189-L272 HydrophobicContact CB-CD2 4.34Å; I189-L272 HydrophobicContact CG2-CD2 3.79Å; I189-V275 HydrophobicContact CG2-CG1 3.83Å; I189-V275 HydrophobicContact CG2-CG2 4.48Å; I189-Y279 HydrophobicContact CG2-CD1 4.35Å; I189-Y279 HydrophobicContact CG2-CE1 4.07Å |
| 190 | P | 95.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | trans | -62.7 | 141 | 179.8 | 25.2 | -30.9 | 0 | 0 | 0 | 110.7 | L239 P241 D276 Y279 | P190-L239 VanDerWaalsContact CA-O 3.3Å; P190-L239 WeakPolarHBondContact CA-O 3.36Å; P190-P241 HydrophobicContact CB-CG 4.47Å; P190-P241 HydrophobicContact CG-CG 4.42Å; P190-D276 HydrophobicContact CB-CB 3.97Å; P190-D276 HydrophobicContact CG-CB 4.11Å; P190-D276 PolarHBondContact O-N 3.41Å; P190-Y279 HydrophobicContact CG-CD1 3.91Å; P190-Y279 HydrophobicContact CG-CD2 3.58Å; P190-Y279 HydrophobicContact CG-CE2 4.25Å; P190-Y279 HydrophobicContact CG-CG 3.38Å | ||
| 191 | G | 95.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156 | -166.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y193 Y238 L239 Y274 | G191-Y193 WeakPolarHBondContact O-CD2 3.39Å; G191-Y238 CarbonylContact O-C 3.57Å; G191-Y238 WeakPolarHBondContact O-CA 3.45Å; G191-L239 PolarHBondContact N-O 3.49Å; G191-L239 PolarHBondContact O-N 2.75Å; G191-Y274 CarbonylContact C-O 3.54Å; G191-Y274 VanDerWaalsContact CA-O 3.26Å; G191-Y274 WeakPolarHBondContact CA-O 3.27Å |
| 192 | I | 96.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 22.4 Ų | 22.4 | 31% | 0.313 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120.4 | -178.3 | -58.3 | 176.9 | 0 | 0 | 0 | 109.1 | V236 Y238 L273 Y274 | I192-V236 HydrophobicContact CG2-CG1 3.26Å; I192-Y238 HydrophobicContact CG1-CD2 4.09Å; I192-L273 HydrophobicContact CG2-CB 4.44Å; I192-L273 HydrophobicContact CG2-CD1 4.21Å; I192-L273 WeakPolarHBondContact O-CB 3.45Å; I192-L273 PolarHBondContact O-N 3.01Å; I192-Y274 HydrophobicContact CB-CD2 4.48Å; I192-Y274 HydrophobicContact CD1-CD2 4.26Å; I192-Y274 PolarHBondContact N-O 2.87Å; I192-Y274 PolarHBondContact O-N 2.9Å |
| 193 | Y | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 143.2 | 179.2 | -73.5 | -99 | 0 | 0 | 0 | 111.3 | S148 F185 I189 G191 F195 V236 I237 L239 F271 L272 | S148-Y193 WeakPolarHBondContact OG-CE1 3.19Å; F185-Y193 HydrophobicContact CE1-CD1 4.27Å; F185-Y193 HydrophobicContact CE1-CE1 4.08Å; F185-Y193 HydrophobicContact CE2-CE1 4.5Å; F185-Y193 HydrophobicContact CZ-CD1 4.01Å; F185-Y193 AromaticContact CZ-CE1 3.53Å; F185-Y193 HydrophobicContact CZ-CE1 3.53Å; I189-Y193 VanDerWaalsContact O-CE2 3.25Å; I189-Y193 WeakPolarHBondContact O-CE2 3.2Å; I189-Y193 PolarHBondContact O-OH 2.82Å; G191-Y193 WeakPolarHBondContact O-CD2 3.39Å; Y193-F195 VanDerWaalsContact CB-CE2 3.45Å; Y193-F195 HydrophobicContact CD1-CZ 4.39Å; Y193-F195 HydrophobicContact CG-CE2 4.29Å; Y193-F195 HydrophobicContact CG-CZ 4.37Å; Y193-V236 CarbonylContact O-C 3.59Å; Y193-V236 VanDerWaalsContact O-CA 3.24Å; Y193-V236 WeakPolarHBondContact O-CA 3.49Å; Y193-I237 PolarHBondContact N-O 3.22Å; Y193-I237 PolarHBondContact O-N 3.41Å; Y193-L239 HydrophobicContact CD1-CD1 4.45Å; Y193-L239 HydrophobicContact CD2-CB 3.86Å; Y193-L239 HydrophobicContact CD2-CD1 3.66Å; Y193-L239 HydrophobicContact CD2-CG 3.84Å; Y193-L239 HydrophobicContact CE2-CB 4.02Å; Y193-L239 HydrophobicContact CE2-CD1 4.15Å; Y193-L239 HydrophobicContact CE2-CG 4.42Å; Y193-L239 HydrophobicContact CG-CD1 3.83Å; Y193-L239 HydrophobicContact CG-CG 4.36Å; Y193-F271 WeakPolarHBondContact CA-O 3.41Å; Y193-L272 HydrophobicContact CD1-CB 4.17Å; Y193-L272 HydrophobicContact CD2-CD1 4.1Å; Y193-L272 HydrophobicContact CE1-CB 3.72Å; Y193-L272 HydrophobicContact CE1-CD1 4.13Å; Y193-L272 HydrophobicContact CE1-CG 4.48Å; Y193-L272 HydrophobicContact CE2-CD1 3.65Å |
| 194 | Y | 98.6 | Very high | 96.1 | Very high | 68 Ų | 68 | 30 Ų | 30 | 27% | 0.267 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 133 | 165.4 | 178.4 | -95.6 | 0 | 0 | 0 | 109.2 | S234 V236 G270 F271 | Y194-S234 WeakPolarHBondContact OH-CB 3.45Å; Y194-S234 PolarHBondContact OH-OG 3.44Å; Y194-V236 HydrophobicContact CD2-CG2 3.92Å; Y194-G270 CarbonylContact O-C 3.24Å; Y194-G270 WeakPolarHBondContact O-CA 3.49Å; Y194-F271 HydrophobicContact CD1-CD1 4.23Å; Y194-F271 AromaticContact CD1-CE1 3.42Å; Y194-F271 HydrophobicContact CD1-CE1 3.42Å; Y194-F271 VanDerWaalsContact CD1-CE1 3.42Å; Y194-F271 AromaticContact CD1-CZ 3.65Å; Y194-F271 HydrophobicContact CD1-CZ 3.65Å; Y194-F271 HydrophobicContact CE1-CE1 4.13Å; Y194-F271 HydrophobicContact CE1-CZ 4.42Å; Y194-F271 HydrophobicContact CG-CE1 4.25Å; Y194-F271 HydrophobicContact CG-CZ 4.11Å; Y194-F271 PolarHBondContact N-O 3.29Å; Y194-F271 PolarHBondContact O-N 3.35Å |
| 195 | F | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.7 | 172.6 | -65.9 | -85.8 | 0 | 0 | 0 | 109.9 | F150 F185 Y193 L210 S234 T235 I237 L239 V245 F268 S269 | F150-F195 HydrophobicContact CE1-CD1 4.22Å; F150-F195 AromaticContact CE1-CE1 3.79Å; F150-F195 HydrophobicContact CE1-CE1 3.79Å; F150-F195 HydrophobicContact CZ-CD1 4.09Å; F150-F195 AromaticContact CZ-CE1 3.99Å; F150-F195 HydrophobicContact CZ-CE1 3.99Å; F185-F195 HydrophobicContact CB-CE1 4.42Å; F185-F195 AromaticContact CD1-CE1 3.95Å; F185-F195 HydrophobicContact CD1-CE1 3.95Å; F185-F195 AromaticContact CD1-CZ 3.77Å; F185-F195 HydrophobicContact CD1-CZ 3.77Å; F185-F195 HydrophobicContact CE1-CE1 4.44Å; F185-F195 AromaticContact CE1-CZ 3.98Å; F185-F195 HydrophobicContact CE1-CZ 3.98Å; F185-F195 HydrophobicContact CG-CE1 4.12Å; F185-F195 HydrophobicContact CG-CZ 4.4Å; Y193-F195 VanDerWaalsContact CB-CE2 3.45Å; Y193-F195 HydrophobicContact CD1-CZ 4.39Å; Y193-F195 HydrophobicContact CG-CE2 4.29Å; Y193-F195 HydrophobicContact CG-CZ 4.37Å; F195-L210 HydrophobicContact CB-CD1 3.65Å; F195-L210 HydrophobicContact CG-CD1 4.28Å; F195-S234 CarbonylContact O-C 3.52Å; F195-S234 WeakPolarHBondContact O-CA 3.44Å; F195-S234 VanDerWaalsContact O-CB 3.3Å; F195-S234 WeakPolarHBondContact O-CB 3.31Å; F195-T235 PolarHBondContact N-O 3.05Å; F195-T235 PolarHBondContact O-N 3.09Å; F195-I237 HydrophobicContact CD2-CD1 4.07Å; F195-I237 HydrophobicContact CD2-CG1 4.42Å; F195-I237 HydrophobicContact CE2-CD1 4.36Å; F195-L239 HydrophobicContact CE2-CD1 3.84Å; F195-L239 HydrophobicContact CZ-CD1 3.73Å; F195-V245 HydrophobicContact CD1-CG1 4.1Å; F195-V245 HydrophobicContact CD2-CG1 4.36Å; F195-V245 HydrophobicContact CE1-CB 4.11Å; F195-V245 HydrophobicContact CE1-CG1 3.9Å; F195-V245 HydrophobicContact CE2-CB 4.48Å; F195-V245 HydrophobicContact CE2-CG1 4.19Å; F195-V245 HydrophobicContact CE2-CG2 4.1Å; F195-V245 HydrophobicContact CG-CG1 4.33Å; F195-V245 HydrophobicContact CZ-CB 3.96Å; F195-V245 HydrophobicContact CZ-CG1 3.97Å; F195-V245 HydrophobicContact CZ-CG2 3.87Å; F195-F268 HydrophobicContact CB-CE2 4.35Å; F195-F268 AromaticContact CD1-CE2 3.93Å; F195-F268 HydrophobicContact CD1-CE2 3.93Å; F195-F268 AromaticContact CD1-CZ 3.92Å; F195-F268 HydrophobicContact CD1-CZ 3.92Å; F195-F268 HydrophobicContact CE1-CZ 4.44Å; F195-S269 WeakPolarHBondContact CA-O 3.3Å |
| 196 | S | 98.4 | Very high | 95.8 | Very high | 23 Ų | 23 | 32.3 Ų | 32.3 | 16% | 0.161 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 150 | 172.6 | 60.9 | 0 | 0 | 0 | 0 | 111.4 | G233 S269 | S196-G233 CarbonylContact C-O 3.57Å; S196-G233 VanDerWaalsContact CA-O 3.29Å; S196-G233 WeakPolarHBondContact CA-O 3.42Å; S196-S269 PolarHBondContact N-O 2.62Å; S196-S269 PolarHBondContact O-N 3.18Å; S196-S269 VanDerWaalsContact O-O 3.06Å |
| 197 | Y | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 147 | 171.8 | 52.1 | -90.6 | 0 | 0 | 0 | 110.2 | I199 I208 L210 I218 T220 S232 G233 L247 L267 | Y197-I199 HydrophobicContact CD2-CG1 3.95Å; Y197-I208 HydrophobicContact CE2-CG2 3.94Å; Y197-L210 HydrophobicContact CD1-CD1 4.26Å; Y197-L210 HydrophobicContact CE1-CB 3.99Å; Y197-L210 HydrophobicContact CE1-CD1 4.12Å; Y197-I218 HydrophobicContact CE1-CD1 4.02Å; Y197-I218 WeakPolarHBondContact OH-CG2 3.44Å; Y197-T220 PolarHBondContact OH-OG1 2.75Å; Y197-S232 WeakPolarHBondContact O-CA 3.29Å; Y197-S232 WeakPolarHBondContact O-CB 3.49Å; Y197-G233 WeakPolarHBondContact CD1-O 3.39Å; Y197-G233 PolarHBondContact N-O 2.6Å; Y197-G233 PolarHBondContact O-N 2.96Å; Y197-L247 HydrophobicContact CD1-CD1 4.16Å; Y197-L247 HydrophobicContact CD1-CD2 3.55Å; Y197-L247 HydrophobicContact CD1-CG 4.49Å; Y197-L247 HydrophobicContact CE1-CD2 3.77Å; Y197-L247 HydrophobicContact CG-CD1 3.91Å; Y197-L247 HydrophobicContact CG-CD2 4.05Å; Y197-L267 WeakPolarHBondContact CA-O 2.95Å; Y197-L267 WeakPolarHBondContact CB-O 3.25Å |
| 198 | D | 97.6 | Very high | 95.8 | Very high | 71 Ų | 71 | 29 Ų | 29 | 38% | 0.38 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 110.4 | 178.6 | -64 | -66.3 | 0 | 0 | 0 | 106.8 | S232 S266 L267 | D198-S232 VanDerWaalsContact OD1-CB 3.26Å; D198-S232 WeakPolarHBondContact OD1-CB 3.49Å; D198-S232 PolarHBondContact OD1-OG 2.86Å; D198-S266 CarbonylContact O-C 3.49Å; D198-S266 WeakPolarHBondContact O-CA 3.35Å; D198-L267 PolarHBondContact N-O 3.12Å; D198-L267 PolarHBondContact O-N 2.86Å |
| 199 | I | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.2 | -170.2 | -55.2 | -60.6 | 0 | 0 | 0 | 109 | F167 Y197 L206 I208 V230 A231 L257 | F167-I199 HydrophobicContact CE1-CD1 4.24Å; F167-I199 HydrophobicContact CZ-CD1 4.1Å; Y197-I199 HydrophobicContact CD2-CG1 3.95Å; I199-L206 HydrophobicContact CB-CD2 3.98Å; I199-L206 HydrophobicContact CG2-CD1 4.25Å; I199-L206 HydrophobicContact CG2-CD2 3.65Å; I199-I208 HydrophobicContact CD1-CD1 4.03Å; I199-I208 HydrophobicContact CG1-CD1 3.88Å; I199-V230 WeakPolarHBondContact O-CA 3.44Å; I199-A231 PolarHBondContact N-O 3.5Å; I199-A231 PolarHBondContact O-N 2.96Å; I199-L257 HydrophobicContact CD1-CD1 4.22Å; I199-L257 HydrophobicContact CG2-CB 4.14Å; I199-L257 HydrophobicContact CG2-CD1 4.05Å; I199-L257 HydrophobicContact CG2-CG 3.74Å |
| 200 | T | 95.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 10% | 0.104 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 132.1 | 166.6 | -58.5 | 0 | 0 | 0 | 0 | 108.4 | F258 A264 D265 S266 | T200-F258 HydrophobicContact CG2-CD1 4.12Å; T200-F258 PolarHBondContact O-N 3.09Å; T200-A264 HydrophobicContact CG2-CB 4.1Å; T200-D265 PolarHBondContact OG1-O 2.82Å; T200-S266 PolarHBondContact N-OG 3.21Å; T200-S266 PolarHBondContact O-OG 2.91Å |
| 201 | L | 93.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.7 | 177.2 | 66.3 | 119.9 | 0 | 0 | 0 | 113.1 | L206 D222 N224 H228 D229 A231 G256 | L201-L206 HydrophobicContact CB-CB 4.29Å; L201-L206 HydrophobicContact CB-CD2 4.49Å; L201-L206 HydrophobicContact CD2-CD2 4.33Å; L201-D222 HydrophobicContact CD2-CB 3.76Å; L201-N224 HydrophobicContact CD1-CB 3.6Å; L201-H228 VanDerWaalsContact O-CA 3.26Å; L201-H228 WeakPolarHBondContact O-CA 3.47Å; L201-D229 HydrophobicContact CD1-CB 3.89Å; L201-D229 HydrophobicContact CD2-CB 3.7Å; L201-D229 WeakPolarHBondContact CD2-O 3.24Å; L201-D229 HydrophobicContact CG-CB 3.73Å; L201-D229 WeakPolarHBondContact CG-O 3.27Å; L201-D229 PolarHBondContact N-O 3.47Å; L201-D229 PolarHBondContact O-N 3.17Å; L201-A231 HydrophobicContact CD2-CB 3.88Å; L201-G256 CarbonylContact C-O 3.57Å; L201-G256 WeakPolarHBondContact CA-O 3.4Å |
| 202 | A | 93.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 149.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y158 K204 N224 H228 G256 F258 | Y158-A202 PolarHBondContact OH-O 2.81Å; A202-K204 PolarHBondContact O-N 3.13Å; A202-N224 VanDerWaalsContact CA-ND2 3.32Å; A202-N224 WeakPolarHBondContact CA-ND2 3.41Å; A202-H228 VanDerWaalsContact CB-ND1 3.31Å; A202-H228 WeakPolarHBondContact CB-ND1 3.38Å; A202-G256 PolarHBondContact N-O 3.12Å; A202-F258 HydrophobicContact CB-CB 3.6Å; A202-F258 HydrophobicContact CB-CD1 4.04Å; A202-F258 HydrophobicContact CB-CD2 3.65Å; A202-F258 HydrophobicContact CB-CE2 4.34Å; A202-F258 HydrophobicContact CB-CG 3.47Å; A202-F258 VanDerWaalsContact CB-CG 3.47Å |
| 203 | N | 91.3 | Very high | 96.6 | Very high | 133 Ų | 133 | 27.6 Ų | 27.6 | 71% | 0.711 | 14% | 0.138 | S | C | * | . | S | Bend | trans | 56.5 | -30.3 | 177.4 | -56.6 | -53.8 | 0 | 0 | 0 | 119.1 | Y158 N224 | Y158-N203 PolarHBondContact OH-ND2 3.1Å; N203-N224 PolarHBondContact N-ND2 2.98Å |
| 204 | K | 92.4 | Very high | 96.5 | Very high | 82 Ų | 82 | 30.2 Ų | 30.2 | 36% | 0.357 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -128.2 | 160.9 | 179.4 | -60 | -171.6 | 175.1 | -159.1 | 0 | 111 | A202 N224 D253 G256 | A202-K204 PolarHBondContact O-N 3.13Å; K204-N224 VanDerWaalsContact O-CB 3.27Å; K204-N224 WeakPolarHBondContact O-CB 3.29Å; K204-N224 PolarHBondContact O-ND2 2.85Å; K204-D253 IonicContact NZ-OD1 2.68Å; K204-D253 PolarHBondContact NZ-OD1 2.99Å; K204-G256 WeakPolarHBondContact O-CA 3.16Å |
| 205 | H | 94.6 | Very high | 96.4 | Very high | 90 Ų | 90 | 33.5 Ų | 33.5 | 42% | 0.417 | 18% | 0.18 | S | C | . | . | trans | -66 | 156.6 | 168.5 | -53.5 | -43.1 | 0 | 0 | 0 | 110.6 | D222 N224 Q254 N255 G256 | H205-D222 WeakPolarHBondContact CA-O 3.39Å; H205-N224 PolarHBondContact ND1-N 3.43Å; H205-N224 VanDerWaalsContact ND1-N 3.17Å; H205-Q254 HydrophobicContact CB-CG 4.22Å; H205-Q254 CarbonylContact O-C 3.57Å; H205-Q254 VanDerWaalsContact O-CA 3.22Å; H205-Q254 WeakPolarHBondContact O-CA 3.42Å; H205-Q254 VanDerWaalsContact O-O 3.1Å; H205-N255 PolarHBondContact O-N 2.75Å; H205-G256 WeakPolarHBondContact O-CA 3.26Å; H205-G256 PolarHBondContact O-N 2.88Å | ||
| 206 | L | 96.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.8 | -179.9 | -177.2 | 71.5 | 0 | 0 | 0 | 110.4 | I199 L201 I208 F221 D222 A231 I249 Q254 L257 | I199-L206 HydrophobicContact CB-CD2 3.98Å; I199-L206 HydrophobicContact CG2-CD1 4.25Å; I199-L206 HydrophobicContact CG2-CD2 3.65Å; L201-L206 HydrophobicContact CB-CB 4.29Å; L201-L206 HydrophobicContact CB-CD2 4.49Å; L201-L206 HydrophobicContact CD2-CD2 4.33Å; L206-I208 HydrophobicContact CD1-CB 4.27Å; L206-I208 HydrophobicContact CD2-CG2 3.98Å; L206-I208 HydrophobicContact CG-CB 4.29Å; L206-I208 HydrophobicContact CG-CG2 4.16Å; L206-F221 CarbonylContact O-C 3.59Å; L206-F221 VanDerWaalsContact O-CA 3.31Å; L206-F221 WeakPolarHBondContact O-CA 3.32Å; L206-D222 HydrophobicContact CB-CB 4.33Å; L206-D222 PolarHBondContact N-O 3.13Å; L206-D222 PolarHBondContact O-N 2.81Å; L206-A231 HydrophobicContact CD2-CB 3.68Å; L206-I249 HydrophobicContact CD1-CD1 3.86Å; L206-Q254 CarbonylContact C-O 3.55Å; L206-Q254 WeakPolarHBondContact CA-O 3.49Å; L206-L257 HydrophobicContact CD1-CB 4.02Å |
| 207 | A | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 91 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T220 F221 I249 F250 Q254 | A207-T220 WeakPolarHBondContact CA-O 3.26Å; A207-F221 HydrophobicContact CB-CD1 3.92Å; A207-F221 HydrophobicContact CB-CE1 4.08Å; A207-I249 WeakPolarHBondContact O-CA 3.13Å; A207-F250 HydrophobicContact CB-CE1 4.09Å; A207-F250 HydrophobicContact CB-CE2 4.18Å; A207-F250 HydrophobicContact CB-CZ 3.82Å; A207-F250 PolarHBondContact O-N 2.94Å; A207-Q254 HydrophobicContact CB-CB 3.77Å; A207-Q254 VanDerWaalsContact CB-OE1 3.31Å; A207-Q254 PolarHBondContact N-O 3.29Å |
| 208 | I | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138.5 | -177.1 | -166.7 | 172.4 | 0 | 0 | 0 | 110.5 | I165 Y197 I199 L206 T220 L247 E248 I249 L257 | I165-I208 HydrophobicContact CD1-CD1 3.77Å; I165-I208 HydrophobicContact CD1-CG1 4.09Å; Y197-I208 HydrophobicContact CE2-CG2 3.94Å; I199-I208 HydrophobicContact CD1-CD1 4.03Å; I199-I208 HydrophobicContact CG1-CD1 3.88Å; L206-I208 HydrophobicContact CD1-CB 4.27Å; L206-I208 HydrophobicContact CD2-CG2 3.98Å; L206-I208 HydrophobicContact CG-CB 4.29Å; L206-I208 HydrophobicContact CG-CG2 4.16Å; I208-T220 PolarHBondContact N-O 2.85Å; I208-T220 PolarHBondContact O-N 2.95Å; I208-L247 HydrophobicContact CD1-CB 4.06Å; I208-L247 HydrophobicContact CD1-CD1 4Å; I208-L247 HydrophobicContact CD1-CG 4.45Å; I208-L247 HydrophobicContact CG1-CB 4.29Å; I208-E248 WeakPolarHBondContact CA-O 3.15Å; I208-I249 HydrophobicContact CB-CD1 4.01Å; I208-I249 HydrophobicContact CD1-CD1 4.45Å; I208-I249 HydrophobicContact CG1-CD1 4.1Å; I208-L257 HydrophobicContact CD1-CD1 4.34Å |
| 209 | G | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 140 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I218 L247 E248 | G209-I218 CarbonylContact C-O 2.93Å; G209-I218 WeakPolarHBondContact CA-O 3.32Å; G209-L247 VanDerWaalsContact O-CA 3.31Å; G209-L247 WeakPolarHBondContact O-CA 3.21Å; G209-E248 PolarHBondContact N-O 2.88Å; G209-E248 PolarHBondContact O-N 3.13Å |
| 210 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 122.1 | 164.1 | -172.5 | 149.7 | 0 | 0 | 0 | 108.9 | F195 Y197 Y216 R217 I218 T235 I237 V245 L247 F268 | F195-L210 HydrophobicContact CB-CD1 3.65Å; F195-L210 HydrophobicContact CG-CD1 4.28Å; Y197-L210 HydrophobicContact CD1-CD1 4.26Å; Y197-L210 HydrophobicContact CE1-CB 3.99Å; Y197-L210 HydrophobicContact CE1-CD1 4.12Å; L210-Y216 WeakPolarHBondContact O-CA 3.31Å; L210-R217 HydrophobicContact CD2-CB 3.88Å; L210-R217 HydrophobicContact CD2-CG 4.25Å; L210-R217 PolarHBondContact O-N 2.87Å; L210-I218 HydrophobicContact CB-CB 4.15Å; L210-I218 HydrophobicContact CB-CD1 4.2Å; L210-I218 HydrophobicContact CB-CG1 4.43Å; L210-I218 HydrophobicContact CD1-CD1 4.36Å; L210-I218 PolarHBondContact N-O 3.19Å; L210-I218 PolarHBondContact O-N 2.94Å; L210-T235 HydrophobicContact CD1-CG2 4.45Å; L210-T235 HydrophobicContact CD2-CG2 4.29Å; L210-I237 HydrophobicContact CD2-CD1 3.61Å; L210-V245 HydrophobicContact CD1-CG1 4.42Å; L210-V245 HydrophobicContact CD2-CG1 3.86Å; L210-V245 HydrophobicContact CG-CG1 4.13Å; L210-L247 HydrophobicContact CB-CD2 3.79Å; L210-L247 HydrophobicContact CD1-CD2 4.26Å; L210-L247 HydrophobicContact CG-CD2 4.14Å; L210-F268 HydrophobicContact CD1-CE2 4.24Å |
| 211 | V | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135 | -174.2 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | G214 K215 Y216 V245 W246 E248 | V211-G214 VanDerWaalsContact CG1-C 3.48Å; V211-G214 VanDerWaalsContact CG1-CA 3.47Å; V211-K215 WeakPolarHBondContact CA-O 3.33Å; V211-Y216 HydrophobicContact CG2-CD1 3.71Å; V211-Y216 HydrophobicContact CG2-CE1 3.68Å; V211-V245 VanDerWaalsContact O-CA 3.26Å; V211-V245 WeakPolarHBondContact O-CA 3.14Å; V211-W246 HydrophobicContact CB-CD2 3.87Å; V211-W246 HydrophobicContact CB-CE3 4.32Å; V211-W246 HydrophobicContact CB-CG 4.35Å; V211-W246 HydrophobicContact CB-CH2 4.31Å; V211-W246 HydrophobicContact CB-CZ2 3.83Å; V211-W246 HydrophobicContact CG1-CD2 4.22Å; V211-W246 HydrophobicContact CG1-CE3 4.38Å; V211-W246 HydrophobicContact CG1-CH2 3.58Å; V211-W246 HydrophobicContact CG1-CZ2 3.31Å; V211-W246 HydrophobicContact CG1-CZ3 4.09Å; V211-W246 HydrophobicContact CG2-CZ2 4.45Å; V211-W246 PolarHBondContact N-O 2.71Å; V211-W246 PolarHBondContact O-N 2.7Å; V211-E248 HydrophobicContact CG2-CG 3.65Å |
| 212 | H | 98.1 | Very high | 96 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 6% | 0.06 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 117.5 | 170.6 | 163.6 | -167.1 | 0 | 0 | 0 | 107.2 | G214 K215 R217 I237 D243 E244 V245 | H212-G214 PolarHBondContact O-N 2.76Å; H212-K215 PolarHBondContact N-O 2.88Å; H212-K215 PolarHBondContact O-N 3.42Å; H212-R217 HydrophobicContact CB-CG 3.66Å; H212-R217 PolarHBondContact CE1-NH2 2.76Å; H212-R217 PolarHBondContact ND1-NE 2.89Å; H212-R217 PolarHBondContact ND1-NH2 2.92Å; H212-I237 HydrophobicContact CB-CD1 4.49Å; H212-I237 WeakPolarHBondContact ND1-CG2 3.44Å; H212-D243 IonicContact CE1-OD2 2.71Å; H212-D243 IonicContact NE2-OD1 3.53Å; H212-D243 IonicContact NE2-OD2 2.75Å; H212-D243 PolarHBondContact NE2-OD2 2.81Å; H212-E244 WeakPolarHBondContact CA-O 3.33Å; H212-V245 HydrophobicContact CB-CG2 4.36Å |
| 213 | N | 97.1 | Very high | 96 | Very high | 82 Ų | 82 | 56.2 Ų | 56.2 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 45.3 | -179.8 | -68.1 | -9.1 | 0 | 0 | 0 | 112.8 | K215 D243 E244 | N213-K215 VanDerWaalsContact C-N 3.26Å; N213-K215 PolarHBondContact O-N 2.93Å; N213-D243 PolarHBondContact ND2-OD1 2.94Å; N213-E244 PolarHBondContact N-O 2.85Å; N213-E244 PolarHBondContact OD1-N 2.98Å; N213-E244 PolarHBondContact OD1-O 2.79Å |
| 214 | G | 95.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 57% | 0.567 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | -1.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V211 H212 W246 | V211-G214 VanDerWaalsContact CG1-C 3.48Å; V211-G214 VanDerWaalsContact CG1-CA 3.47Å; H212-G214 PolarHBondContact O-N 2.76Å; G214-W246 VanDerWaalsContact N-CH2 3.27Å |
| 215 | K | 97.1 | Very high | 95.2 | Very high | 136 Ų | 136 | 52.9 Ų | 52.9 | 59% | 0.591 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.6 | 176.3 | -171.7 | 178.5 | -179.7 | 178.7 | 0 | 111.6 | V211 H212 N213 R217 | V211-K215 WeakPolarHBondContact CA-O 3.33Å; H212-K215 PolarHBondContact N-O 2.88Å; H212-K215 PolarHBondContact O-N 3.42Å; N213-K215 VanDerWaalsContact C-N 3.26Å; N213-K215 PolarHBondContact O-N 2.93Å; K215-R217 PolarHBondContact O-N 3.26Å |
| 216 | Y | 96.9 | Very high | 94 | Very high | 82 Ų | 82 | 51.5 Ų | 51.5 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 126.2 | 172.4 | -58.7 | -72.6 | 0 | 0 | 0 | 111.5 | L210 V211 K219 E248 F250 | L210-Y216 WeakPolarHBondContact O-CA 3.31Å; V211-Y216 HydrophobicContact CG2-CD1 3.71Å; V211-Y216 HydrophobicContact CG2-CE1 3.68Å; Y216-K219 HydrophobicContact CD1-CG 4.45Å; Y216-K219 VanDerWaalsContact CG-CE 3.41Å; Y216-K219 HydrophobicContact CG-CG 4.27Å; Y216-E248 HydrophobicContact CE1-CG 3.99Å; Y216-E248 WeakPolarHBondContact CE1-OE1 3.3Å; Y216-E248 PolarHBondContact OH-OE1 3.34Å; Y216-F250 HydrophobicContact CE1-CB 3.69Å; Y216-F250 HydrophobicContact CE1-CD1 4.24Å; Y216-F250 HydrophobicContact CE1-CG 4.15Å; Y216-F250 VanDerWaalsContact OH-CB 3.23Å; Y216-F250 WeakPolarHBondContact OH-CB 3.29Å |
| 217 | R | 96.9 | Very high | 93.3 | Very high | 119 Ų | 119 | 57.6 Ų | 57.6 | 45% | 0.449 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -37.2 | 171.5 | -59.6 | -61.1 | -176.7 | 161.6 | 2 | 111.3 | L210 H212 K215 I237 | L210-R217 HydrophobicContact CD2-CB 3.88Å; L210-R217 HydrophobicContact CD2-CG 4.25Å; L210-R217 PolarHBondContact O-N 2.87Å; H212-R217 HydrophobicContact CB-CG 3.66Å; H212-R217 PolarHBondContact CE1-NH2 2.76Å; H212-R217 PolarHBondContact ND1-NE 2.89Å; H212-R217 PolarHBondContact ND1-NH2 2.92Å; K215-R217 PolarHBondContact O-N 3.26Å; R217-I237 HydrophobicContact CB-CD1 4.25Å; R217-I237 HydrophobicContact CG-CD1 3.96Å |
| 218 | I | 96 | Very high | 92.9 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 15% | 0.154 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 143.2 | 171.3 | -53.4 | 162.1 | 0 | 0 | 0 | 108.4 | Y197 G209 L210 T235 | Y197-I218 HydrophobicContact CE1-CD1 4.02Å; Y197-I218 WeakPolarHBondContact OH-CG2 3.44Å; G209-I218 CarbonylContact C-O 2.93Å; G209-I218 WeakPolarHBondContact CA-O 3.32Å; L210-I218 HydrophobicContact CB-CB 4.15Å; L210-I218 HydrophobicContact CB-CD1 4.2Å; L210-I218 HydrophobicContact CB-CG1 4.43Å; L210-I218 HydrophobicContact CD1-CD1 4.36Å; L210-I218 PolarHBondContact N-O 3.19Å; L210-I218 PolarHBondContact O-N 2.94Å; I218-T235 HydrophobicContact CD1-CG2 3.45Å; I218-T235 VanDerWaalsContact CD1-CG2 3.45Å; I218-T235 HydrophobicContact CG1-CG2 3.89Å |
| 219 | K | 96.4 | Very high | 92.7 | Very high | 106 Ų | 106 | 64 Ų | 64 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 115.9 | 163.1 | -66.3 | -174.2 | 176.2 | -171 | 0 | 107.8 | Y216 F221 F250 | Y216-K219 HydrophobicContact CD1-CG 4.45Å; Y216-K219 VanDerWaalsContact CG-CE 3.41Å; Y216-K219 HydrophobicContact CG-CG 4.27Å; K219-F221 HydrophobicContact CB-CE2 3.87Å; K219-F221 HydrophobicContact CB-CZ 4.48Å; K219-F250 HydrophobicContact CB-CE1 4Å; K219-F250 HydrophobicContact CB-CZ 3.97Å; K219-F250 HydrophobicContact CD-CE1 4.36Å; K219-F250 HydrophobicContact CD-CE2 4.21Å; K219-F250 HydrophobicContact CD-CZ 4.01Å; K219-F250 HydrophobicContact CG-CE1 4.01Å; K219-F250 HydrophobicContact CG-CZ 4.09Å |
| 220 | T | 96.7 | Very high | 92.5 | Very high | 21 Ų | 21 | 68.5 Ų | 68.5 | 13% | 0.129 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.1 | 177 | -60 | 0 | 0 | 0 | 0 | 108.6 | Y197 A207 I208 A231 | Y197-T220 PolarHBondContact OH-OG1 2.75Å; A207-T220 WeakPolarHBondContact CA-O 3.26Å; I208-T220 PolarHBondContact N-O 2.85Å; I208-T220 PolarHBondContact O-N 2.95Å; T220-A231 HydrophobicContact CG2-CB 4.04Å |
| 221 | F | 95.4 | Very high | 92.3 | Very high | 122 Ų | 122 | 68.7 Ų | 68.7 | 54% | 0.535 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.4 | 175.4 | -61.3 | -93.9 | 0 | 0 | 0 | 108.6 | L206 A207 K219 F250 | L206-F221 CarbonylContact O-C 3.59Å; L206-F221 VanDerWaalsContact O-CA 3.31Å; L206-F221 WeakPolarHBondContact O-CA 3.32Å; A207-F221 HydrophobicContact CB-CD1 3.92Å; A207-F221 HydrophobicContact CB-CE1 4.08Å; K219-F221 HydrophobicContact CB-CE2 3.87Å; K219-F221 HydrophobicContact CB-CZ 4.48Å; F221-F250 HydrophobicContact CD1-CZ 4.19Å; F221-F250 AromaticContact CE1-CE2 3.67Å; F221-F250 HydrophobicContact CE1-CE2 3.67Å; F221-F250 AromaticContact CE1-CZ 3.43Å; F221-F250 HydrophobicContact CE1-CZ 3.43Å; F221-F250 VanDerWaalsContact CE1-CZ 3.43Å; F221-F250 AromaticContact CE2-CZ 3.93Å; F221-F250 HydrophobicContact CE2-CZ 3.93Å; F221-F250 AromaticContact CZ-CE2 3.6Å; F221-F250 HydrophobicContact CZ-CE2 3.6Å; F221-F250 AromaticContact CZ-CZ 3.29Å; F221-F250 HydrophobicContact CZ-CZ 3.29Å |
| 222 | D | 94.7 | Very high | 92.3 | Very high | 47 Ų | 47 | 71.7 Ų | 71.7 | 25% | 0.251 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 132.6 | 173 | -156.6 | -36.7 | 0 | 0 | 0 | 110.5 | L201 H205 L206 A231 | L201-D222 HydrophobicContact CD2-CB 3.76Å; H205-D222 WeakPolarHBondContact CA-O 3.39Å; L206-D222 HydrophobicContact CB-CB 4.33Å; L206-D222 PolarHBondContact N-O 3.13Å; L206-D222 PolarHBondContact O-N 2.81Å; D222-A231 HydrophobicContact CB-CB 3.87Å |
| 223 | A | 91.8 | Very high | 92.2 | Very high | 62 Ų | 62 | 71.7 Ų | 71.7 | 51% | 0.512 | 40% | 0.402 | S | S | . | . | trans | -99.9 | 101 | -177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | T225 | A223-T225 PolarHBondContact O-N 3.26Š| ||
| 224 | N | 86.5 | Confident | 92.3 | Very high | 16 Ų | 16 | 70.9 Ų | 70.9 | 9% | 0.086 | 40% | 0.402 | C | S | . | . | trans | -58.1 | 127.3 | 173.9 | -164.7 | -25.5 | 0 | 0 | 0 | 112.8 | L201 A202 N203 K204 H205 G226 | L201-N224 HydrophobicContact CD1-CB 3.6Å; A202-N224 VanDerWaalsContact CA-ND2 3.32Å; A202-N224 WeakPolarHBondContact CA-ND2 3.41Å; N203-N224 PolarHBondContact N-ND2 2.98Å; K204-N224 VanDerWaalsContact O-CB 3.27Å; K204-N224 WeakPolarHBondContact O-CB 3.29Å; K204-N224 PolarHBondContact O-ND2 2.85Å; H205-N224 PolarHBondContact ND1-N 3.43Å; H205-N224 VanDerWaalsContact ND1-N 3.17Å; N224-G226 PolarHBondContact OD1-N 3.19Å | ||
| 225 | T | 80.9 | Confident | 92.4 | Very high | 130 Ų | 130 | 70.1 Ų | 70.1 | 80% | 0.798 | 39% | 0.387 | S | S | * | . | trans | -103.6 | 5.4 | 179.2 | 56.8 | 0 | 0 | 0 | 0 | 115 | A223 | A223-T225 PolarHBondContact O-N 3.26Š| ||
| 226 | G | 70.6 | Confident | 92.4 | Very high | 60 Ų | 60 | 67.5 Ų | 67.5 | 62% | 0.619 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 124 | -0.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | N224 | N224-G226 PolarHBondContact OD1-N 3.19Š|
| 227 | N | 80.3 | Confident | 92.5 | Very high | 129 Ų | 129 | 64.2 Ų | 64.2 | 69% | 0.69 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -116.4 | -107.8 | 174.1 | -69.8 | -18 | 0 | 0 | 0 | 109.2 | ||
| 228 | H | 88.4 | Confident | 92.5 | Very high | 83 Ų | 83 | 63.1 Ų | 63.1 | 38% | 0.384 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 133.8 | 177.7 | -62.1 | -75.4 | 0 | 0 | 0 | 106.9 | L201 A202 W263 | L201-H228 VanDerWaalsContact O-CA 3.26Å; L201-H228 WeakPolarHBondContact O-CA 3.47Å; A202-H228 VanDerWaalsContact CB-ND1 3.31Å; A202-H228 WeakPolarHBondContact CB-ND1 3.38Å; H228-W263 HydrophobicContact CB-CH2 4.27Å; H228-W263 AromaticContact CD2-CH2 3.42Å; H228-W263 VanDerWaalsContact CD2-CH2 3.42Å; H228-W263 WeakPolarHBondContact CD2-CH2 3.27Å; H228-W263 AromaticContact CE1-CH2 3.54Å; H228-W263 AromaticContact CE1-CZ2 3.73Å; H228-W263 AromaticContact CG-CH2 3.51Å; H228-W263 AromaticContact ND1-CH2 3.59Å; H228-W263 AromaticContact NE2-CH2 3.44Å; H228-W263 WeakPolarHBondContact NE2-CH2 3.16Å; H228-W263 AromaticContact NE2-CZ2 3.61Å |
| 229 | D | 92.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 61.7 Ų | 61.7 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 169.1 | 173.4 | -66.4 | -48.1 | 0 | 0 | 0 | 108.7 | L201 | L201-D229 HydrophobicContact CD1-CB 3.89Å; L201-D229 HydrophobicContact CD2-CB 3.7Å; L201-D229 WeakPolarHBondContact CD2-O 3.24Å; L201-D229 HydrophobicContact CG-CB 3.73Å; L201-D229 WeakPolarHBondContact CG-O 3.27Å; L201-D229 PolarHBondContact N-O 3.47Å; L201-D229 PolarHBondContact O-N 3.17Å |
| 230 | V | 93.8 | Very high | 92.5 | Very high | 94 Ų | 94 | 61 Ų | 61 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 122.4 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | I199 | I199-V230 WeakPolarHBondContact O-CA 3.44Å |
| 231 | A | 95.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 62.9 Ų | 62.9 | 3% | 0.033 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | I199 L201 L206 T220 D222 | I199-A231 PolarHBondContact N-O 3.5Å; I199-A231 PolarHBondContact O-N 2.96Å; L201-A231 HydrophobicContact CD2-CB 3.88Å; L206-A231 HydrophobicContact CD2-CB 3.68Å; T220-A231 HydrophobicContact CG2-CB 4.04Å; D222-A231 HydrophobicContact CB-CB 3.87Å |
| 232 | S | 97 | Very high | 92.4 | Very high | 63 Ų | 63 | 64.9 Ų | 64.9 | 44% | 0.441 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 154.9 | 178.7 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | Y197 D198 | Y197-S232 WeakPolarHBondContact O-CA 3.29Å; Y197-S232 WeakPolarHBondContact O-CB 3.49Å; D198-S232 VanDerWaalsContact OD1-CB 3.26Å; D198-S232 WeakPolarHBondContact OD1-CB 3.49Å; D198-S232 PolarHBondContact OD1-OG 2.86Å |
| 233 | G | 97.3 | Very high | 92.6 | Very high | 13 Ų | 13 | 63.9 Ų | 63.9 | 13% | 0.134 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 145.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S196 Y197 | S196-G233 CarbonylContact C-O 3.57Å; S196-G233 VanDerWaalsContact CA-O 3.29Å; S196-G233 WeakPolarHBondContact CA-O 3.42Å; Y197-G233 WeakPolarHBondContact CD1-O 3.39Å; Y197-G233 PolarHBondContact N-O 2.6Å; Y197-G233 PolarHBondContact O-N 2.96Å |
| 234 | S | 97.9 | Very high | 92.9 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 150.2 | 176 | 65.8 | 0 | 0 | 0 | 0 | 112.3 | Y194 F195 | Y194-S234 WeakPolarHBondContact OH-CB 3.45Å; Y194-S234 PolarHBondContact OH-OG 3.44Å; F195-S234 CarbonylContact O-C 3.52Å; F195-S234 WeakPolarHBondContact O-CA 3.44Å; F195-S234 VanDerWaalsContact O-CB 3.3Å; F195-S234 WeakPolarHBondContact O-CB 3.31Å |
| 235 | T | 98 | Very high | 93.4 | Very high | 39 Ų | 39 | 63 Ų | 63 | 24% | 0.239 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 164.7 | 177.9 | -167.4 | 0 | 0 | 0 | 0 | 110.8 | F195 L210 I218 I237 | F195-T235 PolarHBondContact N-O 3.05Å; F195-T235 PolarHBondContact O-N 3.09Å; L210-T235 HydrophobicContact CD1-CG2 4.45Å; L210-T235 HydrophobicContact CD2-CG2 4.29Å; I218-T235 HydrophobicContact CD1-CG2 3.45Å; I218-T235 VanDerWaalsContact CD1-CG2 3.45Å; I218-T235 HydrophobicContact CG1-CG2 3.89Å; T235-I237 HydrophobicContact CG2-CD1 3.82Å; T235-I237 HydrophobicContact CG2-CG1 3.8Å |
| 236 | V | 98.1 | Very high | 94.3 | Very high | 82 Ų | 82 | 57.8 Ų | 57.8 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.4 | 174.8 | 176.8 | 0 | 0 | 0 | 0 | 108.2 | I192 Y193 Y194 L273 | I192-V236 HydrophobicContact CG2-CG1 3.26Å; Y193-V236 CarbonylContact O-C 3.59Å; Y193-V236 VanDerWaalsContact O-CA 3.24Å; Y193-V236 WeakPolarHBondContact O-CA 3.49Å; Y194-V236 HydrophobicContact CD2-CG2 3.92Å; V236-L273 HydrophobicContact CG1-CD1 4.45Å; V236-L273 HydrophobicContact CG2-CD1 4.33Å |
| 237 | I | 97.2 | Very high | 95.6 | Very high | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.062 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132.2 | -176.4 | -50.9 | 175.1 | 0 | 0 | 0 | 108.3 | Y193 F195 L210 H212 R217 T235 L239 | Y193-I237 PolarHBondContact N-O 3.22Å; Y193-I237 PolarHBondContact O-N 3.41Å; F195-I237 HydrophobicContact CD2-CD1 4.07Å; F195-I237 HydrophobicContact CD2-CG1 4.42Å; F195-I237 HydrophobicContact CE2-CD1 4.36Å; L210-I237 HydrophobicContact CD2-CD1 3.61Å; H212-I237 HydrophobicContact CB-CD1 4.49Å; H212-I237 WeakPolarHBondContact ND1-CG2 3.44Å; R217-I237 HydrophobicContact CB-CD1 4.25Å; R217-I237 HydrophobicContact CG-CD1 3.96Å; T235-I237 HydrophobicContact CG2-CD1 3.82Å; T235-I237 HydrophobicContact CG2-CG1 3.8Å; I237-L239 HydrophobicContact CB-CD2 4.28Å; I237-L239 HydrophobicContact CG2-CD2 3.56Å; I237-L239 HydrophobicContact CG2-CG 4.28Å |
| 238 | Y | 97.1 | Very high | 96.4 | Very high | 97 Ų | 97 | 49.8 Ų | 49.8 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 128.1 | 164.4 | -179.4 | -81.6 | 0 | 0 | 0 | 109 | G191 I192 Q240 D276 | G191-Y238 CarbonylContact O-C 3.57Å; G191-Y238 WeakPolarHBondContact O-CA 3.45Å; I192-Y238 HydrophobicContact CG1-CD2 4.09Å; Y238-Q240 HydrophobicContact CE1-CG 4.15Å; Y238-Q240 VanDerWaalsContact CE1-NE2 3.33Å; Y238-Q240 PolarHBondContact OH-NE2 2.96Å; Y238-D276 PolarHBondContact OH-OD2 3.44Å |
| 239 | L | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.5 | -178.2 | -60.4 | -178.7 | 0 | 0 | 0 | 110.8 | F185 C187 P190 G191 Y193 F195 I237 D243 V245 | F185-L239 HydrophobicContact CD1-CD1 4.23Å; F185-L239 HydrophobicContact CE1-CD1 3.73Å; C187-L239 HydrophobicContact CB-CB 3.94Å; C187-L239 HydrophobicContact CB-CD1 4.07Å; C187-L239 VanDerWaalsContact SG-CB 3.56Å; P190-L239 VanDerWaalsContact CA-O 3.3Å; P190-L239 WeakPolarHBondContact CA-O 3.36Å; G191-L239 PolarHBondContact N-O 3.49Å; G191-L239 PolarHBondContact O-N 2.75Å; Y193-L239 HydrophobicContact CD1-CD1 4.45Å; Y193-L239 HydrophobicContact CD2-CB 3.86Å; Y193-L239 HydrophobicContact CD2-CD1 3.66Å; Y193-L239 HydrophobicContact CD2-CG 3.84Å; Y193-L239 HydrophobicContact CE2-CB 4.02Å; Y193-L239 HydrophobicContact CE2-CD1 4.15Å; Y193-L239 HydrophobicContact CE2-CG 4.42Å; Y193-L239 HydrophobicContact CG-CD1 3.83Å; Y193-L239 HydrophobicContact CG-CG 4.36Å; F195-L239 HydrophobicContact CE2-CD1 3.84Å; F195-L239 HydrophobicContact CZ-CD1 3.73Å; I237-L239 HydrophobicContact CB-CD2 4.28Å; I237-L239 HydrophobicContact CG2-CD2 3.56Å; I237-L239 HydrophobicContact CG2-CG 4.28Å; L239-D243 WeakPolarHBondContact CA-OD2 3.26Å; L239-D243 HydrophobicContact CB-CB 4.28Å; L239-D243 HydrophobicContact CD2-CB 4.02Å; L239-V245 HydrophobicContact CD1-CG2 3.89Å; L239-V245 HydrophobicContact CD2-CG2 3.84Å |
| 240 | Q | 96.4 | Very high | 96.9 | Very high | 92 Ų | 92 | 44.8 Ų | 44.8 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | trans | -94.8 | 161.7 | 166.2 | -69.9 | -67.2 | -10.4 | 0 | 0 | 110.1 | C187 Y238 D243 | C187-Q240 VanDerWaalsContact CB-O 3.26Å; C187-Q240 WeakPolarHBondContact CB-O 3.32Å; Y238-Q240 HydrophobicContact CE1-CG 4.15Å; Y238-Q240 VanDerWaalsContact CE1-NE2 3.33Å; Y238-Q240 PolarHBondContact OH-NE2 2.96Å; Q240-D243 PolarHBondContact N-OD2 2.81Å; Q240-D243 VanDerWaalsContact O-CB 3.25Å; Q240-D243 WeakPolarHBondContact O-CB 3.37Å; Q240-D243 PolarHBondContact O-N 3.44Å; Q240-D243 VanDerWaalsContact O-N 3.14Å | ||
| 241 | P | 94.7 | Very high | 96.7 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 38% | 0.383 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 144.2 | 173.1 | -22.7 | 35.5 | 0 | 0 | 0 | 110.7 | C187 P190 D243 | C187-P241 CarbonylContact O-C 3.57Å; C187-P241 WeakPolarHBondContact O-CA 3.48Å; P190-P241 HydrophobicContact CB-CG 4.47Å; P190-P241 HydrophobicContact CG-CG 4.42Å; P241-D243 PolarHBondContact O-N 3.46Å |
| 242 | E | 94.7 | Very high | 96.5 | Very high | 165 Ų | 165 | 49.5 Ų | 49.5 | 77% | 0.771 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | -4.8 | -176.5 | -47.9 | 179 | 165.4 | 0 | 0 | 115.3 | C187 E244 | C187-E242 PolarHBondContact O-N 3.26Å; E242-E244 PolarHBondContact O-N 3.15Å |
| 243 | D | 98.1 | Very high | 96.1 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | trans | -61.4 | 132.9 | 171.6 | -77.1 | -15.4 | 0 | 0 | 0 | 110.6 | C187 H212 N213 L239 Q240 P241 | C187-D243 HydrophobicContact CB-CB 4.28Å; C187-D243 PolarHBondContact N-O 3.48Å; H212-D243 IonicContact CE1-OD2 2.71Å; H212-D243 IonicContact NE2-OD1 3.53Å; H212-D243 IonicContact NE2-OD2 2.75Å; H212-D243 PolarHBondContact NE2-OD2 2.81Å; N213-D243 PolarHBondContact ND2-OD1 2.94Å; L239-D243 WeakPolarHBondContact CA-OD2 3.26Å; L239-D243 HydrophobicContact CB-CB 4.28Å; L239-D243 HydrophobicContact CD2-CB 4.02Å; Q240-D243 PolarHBondContact N-OD2 2.81Å; Q240-D243 VanDerWaalsContact O-CB 3.25Å; Q240-D243 WeakPolarHBondContact O-CB 3.37Å; Q240-D243 PolarHBondContact O-N 3.44Å; Q240-D243 VanDerWaalsContact O-N 3.14Å; P241-D243 PolarHBondContact O-N 3.46Å | ||
| 244 | E | 98.2 | Very high | 95.8 | Very high | 59 Ų | 59 | 53.1 Ų | 53.1 | 28% | 0.276 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.5 | -179 | -63 | -173.7 | 139 | 0 | 0 | 111.1 | K184 F185 H212 N213 E242 W246 | K184-E244 HydrophobicContact CD-CB 4.48Å; K184-E244 HydrophobicContact CD-CG 4.44Å; K184-E244 WeakPolarHBondContact CD-OE1 3.24Å; K184-E244 IonicContact NZ-OE1 4Å; K184-E244 PolarHBondContact NZ-OE1 2.88Å; K184-E244 IonicContact NZ-OE2 3.93Å; K184-E244 PolarHBondContact NZ-OE2 2.96Å; F185-E244 CarbonylContact O-C 3.53Å; F185-E244 WeakPolarHBondContact O-CA 3.43Å; H212-E244 WeakPolarHBondContact CA-O 3.33Å; N213-E244 PolarHBondContact N-O 2.85Å; N213-E244 PolarHBondContact OD1-N 2.98Å; N213-E244 PolarHBondContact OD1-O 2.79Å; E242-E244 PolarHBondContact O-N 3.15Å; E244-W246 HydrophobicContact CB-CE3 4.07Å; E244-W246 HydrophobicContact CB-CZ3 3.82Å |
| 245 | V | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.8 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | F185 F195 L210 V211 H212 L239 F268 | F185-V245 HydrophobicContact CB-CB 4.42Å; F185-V245 HydrophobicContact CD1-CB 4.33Å; F185-V245 HydrophobicContact CD1-CG2 4.5Å; F185-V245 PolarHBondContact N-O 3.2Å; F185-V245 PolarHBondContact O-N 3.01Å; F195-V245 HydrophobicContact CD1-CG1 4.1Å; F195-V245 HydrophobicContact CD2-CG1 4.36Å; F195-V245 HydrophobicContact CE1-CB 4.11Å; F195-V245 HydrophobicContact CE1-CG1 3.9Å; F195-V245 HydrophobicContact CE2-CB 4.48Å; F195-V245 HydrophobicContact CE2-CG1 4.19Å; F195-V245 HydrophobicContact CE2-CG2 4.1Å; F195-V245 HydrophobicContact CG-CG1 4.33Å; F195-V245 HydrophobicContact CZ-CB 3.96Å; F195-V245 HydrophobicContact CZ-CG1 3.97Å; F195-V245 HydrophobicContact CZ-CG2 3.87Å; L210-V245 HydrophobicContact CD1-CG1 4.42Å; L210-V245 HydrophobicContact CD2-CG1 3.86Å; L210-V245 HydrophobicContact CG-CG1 4.13Å; V211-V245 VanDerWaalsContact O-CA 3.26Å; V211-V245 WeakPolarHBondContact O-CA 3.14Å; H212-V245 HydrophobicContact CB-CG2 4.36Å; L239-V245 HydrophobicContact CD1-CG2 3.89Å; L239-V245 HydrophobicContact CD2-CG2 3.84Å; V245-F268 HydrophobicContact CG1-CZ 4.39Å |
| 246 | W | 98.6 | Very high | 95.5 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 8% | 0.076 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 172.6 | 178 | 69.4 | 95.1 | 0 | 0 | 0 | 112.4 | P164 K184 V211 G214 E244 E248 | P164-W246 HydrophobicContact CB-CB 4.35Å; P164-W246 HydrophobicContact CB-CG 4.05Å; P164-W246 HydrophobicContact CG-CG 4.26Å; K184-W246 HydrophobicContact CD-CE3 4.38Å; K184-W246 HydrophobicContact CG-CB 4.06Å; K184-W246 HydrophobicContact CG-CE3 4.49Å; K184-W246 HydrophobicContact CG-CG 4.44Å; V211-W246 HydrophobicContact CB-CD2 3.87Å; V211-W246 HydrophobicContact CB-CE3 4.32Å; V211-W246 HydrophobicContact CB-CG 4.35Å; V211-W246 HydrophobicContact CB-CH2 4.31Å; V211-W246 HydrophobicContact CB-CZ2 3.83Å; V211-W246 HydrophobicContact CG1-CD2 4.22Å; V211-W246 HydrophobicContact CG1-CE3 4.38Å; V211-W246 HydrophobicContact CG1-CH2 3.58Å; V211-W246 HydrophobicContact CG1-CZ2 3.31Å; V211-W246 HydrophobicContact CG1-CZ3 4.09Å; V211-W246 HydrophobicContact CG2-CZ2 4.45Å; V211-W246 PolarHBondContact N-O 2.71Å; V211-W246 PolarHBondContact O-N 2.7Å; G214-W246 VanDerWaalsContact N-CH2 3.27Å; E244-W246 HydrophobicContact CB-CE3 4.07Å; E244-W246 HydrophobicContact CB-CZ3 3.82Å; W246-E248 PolarHBondContact NE1-OE2 2.79Å |
| 247 | L | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 142.4 | 169.3 | -61.6 | 176.9 | 0 | 0 | 0 | 110.5 | I165 F167 Y197 I208 G209 L210 F268 | I165-L247 WeakPolarHBondContact CB-O 3.39Å; I165-L247 HydrophobicContact CD1-CB 4.11Å; I165-L247 PolarHBondContact N-O 3.25Å; F167-L247 HydrophobicContact CE2-CB 4.18Å; F167-L247 HydrophobicContact CE2-CD1 3.77Å; F167-L247 HydrophobicContact CE2-CG 4.41Å; F167-L247 HydrophobicContact CZ-CD1 3.7Å; Y197-L247 HydrophobicContact CD1-CD1 4.16Å; Y197-L247 HydrophobicContact CD1-CD2 3.55Å; Y197-L247 HydrophobicContact CD1-CG 4.49Å; Y197-L247 HydrophobicContact CE1-CD2 3.77Å; Y197-L247 HydrophobicContact CG-CD1 3.91Å; Y197-L247 HydrophobicContact CG-CD2 4.05Å; I208-L247 HydrophobicContact CD1-CB 4.06Å; I208-L247 HydrophobicContact CD1-CD1 4Å; I208-L247 HydrophobicContact CD1-CG 4.45Å; I208-L247 HydrophobicContact CG1-CB 4.29Å; G209-L247 VanDerWaalsContact O-CA 3.31Å; G209-L247 WeakPolarHBondContact O-CA 3.21Å; L210-L247 HydrophobicContact CB-CD2 3.79Å; L210-L247 HydrophobicContact CD1-CD2 4.26Å; L210-L247 HydrophobicContact CG-CD2 4.14Å; L247-F268 HydrophobicContact CD1-CB 3.79Å; L247-F268 HydrophobicContact CD1-CD1 4.26Å; L247-F268 HydrophobicContact CD1-CD2 3.75Å; L247-F268 HydrophobicContact CD1-CE2 4.41Å; L247-F268 HydrophobicContact CD1-CG 3.67Å; L247-F268 HydrophobicContact CD2-CE2 4.45Å; L247-F268 HydrophobicContact CG-CD1 4.3Å; L247-F268 HydrophobicContact CG-CD2 4.05Å; L247-F268 HydrophobicContact CG-CE1 4.46Å; L247-F268 HydrophobicContact CG-CE2 4.22Å; L247-F268 HydrophobicContact CG-CG 4.1Å; L247-F268 HydrophobicContact CG-CZ 4.42Å |
| 248 | E | 97.2 | Very high | 95.3 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 150.7 | 173.7 | 70.6 | -175.9 | -151.6 | 0 | 0 | 112 | L163 I208 G209 V211 Y216 W246 F250 | L163-E248 WeakPolarHBondContact O-CB 3.39Å; I208-E248 WeakPolarHBondContact CA-O 3.15Å; G209-E248 PolarHBondContact N-O 2.88Å; G209-E248 PolarHBondContact O-N 3.13Å; V211-E248 HydrophobicContact CG2-CG 3.65Å; Y216-E248 HydrophobicContact CE1-CG 3.99Å; Y216-E248 WeakPolarHBondContact CE1-OE1 3.3Å; Y216-E248 PolarHBondContact OH-OE1 3.34Å; W246-E248 PolarHBondContact NE1-OE2 2.79Å; E248-F250 PolarHBondContact O-N 2.89Å |
| 249 | I | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 106.9 | 167 | -54.5 | -57 | 0 | 0 | 0 | 107.8 | E161 R162 I165 L206 A207 I208 N255 | E161-I249 HydrophobicContact CG-CB 4.38Å; E161-I249 HydrophobicContact CG-CG2 4.05Å; R162-I249 WeakPolarHBondContact CA-O 3.41Å; R162-I249 PolarHBondContact N-O 2.92Å; I165-I249 HydrophobicContact CD1-CD1 3.91Å; I165-I249 HydrophobicContact CD1-CG1 3.96Å; I165-I249 HydrophobicContact CG1-CG1 4.46Å; L206-I249 HydrophobicContact CD1-CD1 3.86Å; A207-I249 WeakPolarHBondContact O-CA 3.13Å; I208-I249 HydrophobicContact CB-CD1 4.01Å; I208-I249 HydrophobicContact CD1-CD1 4.45Å; I208-I249 HydrophobicContact CG1-CD1 4.1Å; I249-N255 HydrophobicContact CG2-CB 4.13Å |
| 250 | F | 93.4 | Very high | 95 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | trans | -91.7 | -13.9 | -171.9 | 64.4 | -94.7 | 0 | 0 | 0 | 114 | A207 Y216 K219 F221 E248 | A207-F250 HydrophobicContact CB-CE1 4.09Å; A207-F250 HydrophobicContact CB-CE2 4.18Å; A207-F250 HydrophobicContact CB-CZ 3.82Å; A207-F250 PolarHBondContact O-N 2.94Å; Y216-F250 HydrophobicContact CE1-CB 3.69Å; Y216-F250 HydrophobicContact CE1-CD1 4.24Å; Y216-F250 HydrophobicContact CE1-CG 4.15Å; Y216-F250 VanDerWaalsContact OH-CB 3.23Å; Y216-F250 WeakPolarHBondContact OH-CB 3.29Å; K219-F250 HydrophobicContact CB-CE1 4Å; K219-F250 HydrophobicContact CB-CZ 3.97Å; K219-F250 HydrophobicContact CD-CE1 4.36Å; K219-F250 HydrophobicContact CD-CE2 4.21Å; K219-F250 HydrophobicContact CD-CZ 4.01Å; K219-F250 HydrophobicContact CG-CE1 4.01Å; K219-F250 HydrophobicContact CG-CZ 4.09Å; F221-F250 HydrophobicContact CD1-CZ 4.19Å; F221-F250 AromaticContact CE1-CE2 3.67Å; F221-F250 HydrophobicContact CE1-CE2 3.67Å; F221-F250 AromaticContact CE1-CZ 3.43Å; F221-F250 HydrophobicContact CE1-CZ 3.43Å; F221-F250 VanDerWaalsContact CE1-CZ 3.43Å; F221-F250 AromaticContact CE2-CZ 3.93Å; F221-F250 HydrophobicContact CE2-CZ 3.93Å; F221-F250 AromaticContact CZ-CE2 3.6Å; F221-F250 HydrophobicContact CZ-CE2 3.6Å; F221-F250 AromaticContact CZ-CZ 3.29Å; F221-F250 HydrophobicContact CZ-CZ 3.29Å; E248-F250 PolarHBondContact O-N 2.89Å | ||
| 251 | Y | 90.7 | Very high | 94.7 | Very high | 128 Ų | 128 | 44.7 Ų | 44.7 | 50% | 0.502 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -113.4 | 135.9 | -177.4 | -155.6 | -84.5 | 0 | 0 | 0 | 110.9 | Q254 | Y251-Q254 HydrophobicContact CD1-CB 4.24Å; Y251-Q254 HydrophobicContact CD1-CG 3.72Å; Y251-Q254 HydrophobicContact CE1-CG 4.4Å; Y251-Q254 HydrophobicContact CG-CG 4.49Å; Y251-Q254 PolarHBondContact O-N 2.95Å |
| 252 | T | 89.6 | Confident | 94.5 | Very high | 70 Ų | 70 | 47.7 Ų | 47.7 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 135.6 | -176.3 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | E161 R162 Q254 | E161-T252 VanDerWaalsContact OE2-CA 3.27Å; E161-T252 WeakPolarHBondContact OE2-CA 3.22Å; R162-T252 PolarHBondContact NH2-OG1 2.83Å; T252-Q254 PolarHBondContact O-N 3.06Å |
| 253 | D | 88.5 | Confident | 94.3 | Very high | 104 Ų | 104 | 46.7 Ų | 46.7 | 56% | 0.556 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 16.4 | -178.7 | -158.8 | 31.7 | 0 | 0 | 0 | 114.7 | E161 K204 | E161-D253 WeakPolarHBondContact OE1-CA 3.18Å; E161-D253 PolarHBondContact OE1-N 3.31Å; E161-D253 VanDerWaalsContact OE1-N 3.08Å; E161-D253 PolarHBondContact OE2-N 3.14Å; E161-D253 VanDerWaalsContact OE2-N 3.16Å; K204-D253 IonicContact NZ-OD1 2.68Å; K204-D253 PolarHBondContact NZ-OD1 2.99Å |
| 254 | Q | 91.7 | Very high | 94.1 | Very high | 47 Ų | 47 | 45.7 Ų | 45.7 | 22% | 0.22 | 23% | 0.232 | C | C | . | . | trans | -114.5 | 48.2 | 170.4 | -65.8 | -169.4 | 0.4 | 0 | 0 | 111 | H205 L206 A207 Y251 T252 | H205-Q254 HydrophobicContact CB-CG 4.22Å; H205-Q254 CarbonylContact O-C 3.57Å; H205-Q254 VanDerWaalsContact O-CA 3.22Å; H205-Q254 WeakPolarHBondContact O-CA 3.42Å; H205-Q254 VanDerWaalsContact O-O 3.1Å; L206-Q254 CarbonylContact C-O 3.55Å; L206-Q254 WeakPolarHBondContact CA-O 3.49Å; A207-Q254 HydrophobicContact CB-CB 3.77Å; A207-Q254 VanDerWaalsContact CB-OE1 3.31Å; A207-Q254 PolarHBondContact N-O 3.29Å; Y251-Q254 HydrophobicContact CD1-CB 4.24Å; Y251-Q254 HydrophobicContact CD1-CG 3.72Å; Y251-Q254 HydrophobicContact CE1-CG 4.4Å; Y251-Q254 HydrophobicContact CG-CG 4.49Å; Y251-Q254 PolarHBondContact O-N 2.95Å; T252-Q254 PolarHBondContact O-N 3.06Å | ||
| 255 | N | 94.3 | Very high | 93.9 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | trans | -102.8 | 79.7 | 174.3 | -174 | 8.3 | 0 | 0 | 0 | 109.7 | Y158 P159 E161 H205 I249 L257 | Y158-N255 VanDerWaalsContact C-ND2 3.27Å; Y158-N255 WeakPolarHBondContact CA-ND2 3.4Å; Y158-N255 WeakPolarHBondContact CD1-O 3.39Å; P159-N255 PolarHBondContact O-ND2 2.58Å; E161-N255 HydrophobicContact CG-CB 3.99Å; E161-N255 WeakPolarHBondContact OE1-CB 3.33Å; H205-N255 PolarHBondContact O-N 2.75Å; I249-N255 HydrophobicContact CG2-CB 4.13Å; N255-L257 VanDerWaalsContact C-N 3.34Å | ||
| 256 | G | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -87.4 | -1.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L201 A202 K204 H205 F258 | L201-G256 CarbonylContact C-O 3.57Å; L201-G256 WeakPolarHBondContact CA-O 3.4Å; A202-G256 PolarHBondContact N-O 3.12Å; K204-G256 WeakPolarHBondContact O-CA 3.16Å; H205-G256 WeakPolarHBondContact O-CA 3.26Å; H205-G256 PolarHBondContact O-N 2.88Å; G256-F258 PolarHBondContact O-N 3.09Å | ||
| 257 | L | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -61.5 | 123.7 | -170.9 | -176 | 160 | 0 | 0 | 0 | 110.8 | I154 Y158 P159 I165 I199 L206 I208 N255 | I154-L257 HydrophobicContact CD1-CD2 4Å; I154-L257 HydrophobicContact CG2-CD2 3.8Å; Y158-L257 PolarHBondContact N-O 2.91Å; P159-L257 HydrophobicContact CG-CD1 4.17Å; P159-L257 HydrophobicContact CG-CD2 4.27Å; I165-L257 HydrophobicContact CD1-CD1 4.01Å; I165-L257 HydrophobicContact CG2-CD1 4.34Å; I199-L257 HydrophobicContact CD1-CD1 4.22Å; I199-L257 HydrophobicContact CG2-CB 4.14Å; I199-L257 HydrophobicContact CG2-CD1 4.05Å; I199-L257 HydrophobicContact CG2-CG 3.74Å; L206-L257 HydrophobicContact CD1-CB 4.02Å; I208-L257 HydrophobicContact CD1-CD1 4.34Å; N255-L257 VanDerWaalsContact C-N 3.34Å |
| 258 | F | 95.4 | Very high | 93.8 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | trans | -126.5 | 144.2 | -171.9 | -175.4 | -103.1 | 0 | 0 | 0 | 111.6 | S157 T200 A202 G256 D260 W263 A264 S266 | S157-F258 WeakPolarHBondContact OG-CD2 3.44Å; T200-F258 HydrophobicContact CG2-CD1 4.12Å; T200-F258 PolarHBondContact O-N 3.09Å; A202-F258 HydrophobicContact CB-CB 3.6Å; A202-F258 HydrophobicContact CB-CD1 4.04Å; A202-F258 HydrophobicContact CB-CD2 3.65Å; A202-F258 HydrophobicContact CB-CE2 4.34Å; A202-F258 HydrophobicContact CB-CG 3.47Å; A202-F258 VanDerWaalsContact CB-CG 3.47Å; G256-F258 PolarHBondContact O-N 3.09Å; F258-D260 HydrophobicContact CE1-CB 3.77Å; F258-D260 HydrophobicContact CZ-CB 3.93Å; F258-W263 HydrophobicContact CE1-CH2 4.06Å; F258-W263 AromaticContact CE1-CZ2 3.62Å; F258-W263 HydrophobicContact CE1-CZ2 3.62Å; F258-W263 HydrophobicContact CZ-CZ2 4.3Å; F258-A264 HydrophobicContact CD1-CB 3.97Å; F258-A264 HydrophobicContact CE1-CB 3.92Å; F258-S266 PolarHBondContact O-OG 2.84Å | ||
| 259 | S | 94.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 47.3 Ų | 47.3 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | trans | -145.8 | 135.7 | 170.3 | 174 | 0 | 0 | 0 | 0 | 109.6 | I154 S157 A264 | I154-S259 PolarHBondContact O-OG 3.31Å; S157-S259 PolarHBondContact OG-N 2.83Å; S157-S259 PolarHBondContact OG-O 2.87Å; S259-A264 WeakPolarHBondContact CA-O 3.11Å; S259-A264 PolarHBondContact OG-O 2.65Å | ||
| 260 | D | 93.2 | Very high | 93.9 | Very high | 43 Ų | 43 | 47.3 Ų | 47.3 | 23% | 0.23 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -130 | 126.7 | 173.6 | -174 | -74.7 | 0 | 0 | 0 | 109.1 | F258 T262 W263 A264 | F258-D260 HydrophobicContact CE1-CB 3.77Å; F258-D260 HydrophobicContact CZ-CB 3.93Å; D260-T262 PolarHBondContact O-N 2.9Å; D260-T262 WeakPolarHBondContact OD1-CA 3.46Å; D260-T262 WeakPolarHBondContact OD1-CB 3.18Å; D260-T262 PolarHBondContact OD1-N 2.71Å; D260-T262 PolarHBondContact OD1-OG1 2.82Å; D260-W263 PolarHBondContact O-N 3.05Å; D260-A264 HydrophobicContact CB-CB 4Å; D260-A264 PolarHBondContact N-O 3.3Å; D260-A264 CarbonylContact O-C 3.54Å; D260-A264 PolarHBondContact O-N 2.86Å; D260-A264 VanDerWaalsContact O-N 3.13Å |
| 261 | P | 90.7 | Very high | 94.2 | Very high | 121 Ų | 121 | 50 Ų | 50 | 79% | 0.786 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -17.5 | -177.9 | -25.3 | 33.8 | 0 | 0 | 0 | 115.5 | ||
| 262 | T | 91 | Very high | 94.4 | Very high | 122 Ų | 122 | 45.2 Ų | 45.2 | 75% | 0.748 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100 | -31.6 | -173.4 | 65.8 | 0 | 0 | 0 | 0 | 113.7 | D260 | D260-T262 PolarHBondContact O-N 2.9Å; D260-T262 WeakPolarHBondContact OD1-CA 3.46Å; D260-T262 WeakPolarHBondContact OD1-CB 3.18Å; D260-T262 PolarHBondContact OD1-N 2.71Å; D260-T262 PolarHBondContact OD1-OG1 2.82Å |
| 263 | W | 91 | Very high | 94.6 | Very high | 144 Ų | 144 | 45.3 Ų | 45.3 | 55% | 0.545 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -147 | -8 | -171.8 | 71.6 | -90.3 | 0 | 0 | 0 | 116.3 | H228 F258 D260 | H228-W263 HydrophobicContact CB-CH2 4.27Å; H228-W263 AromaticContact CD2-CH2 3.42Å; H228-W263 VanDerWaalsContact CD2-CH2 3.42Å; H228-W263 WeakPolarHBondContact CD2-CH2 3.27Å; H228-W263 AromaticContact CE1-CH2 3.54Å; H228-W263 AromaticContact CE1-CZ2 3.73Å; H228-W263 AromaticContact CG-CH2 3.51Å; H228-W263 AromaticContact ND1-CH2 3.59Å; H228-W263 AromaticContact NE2-CH2 3.44Å; H228-W263 WeakPolarHBondContact NE2-CH2 3.16Å; H228-W263 AromaticContact NE2-CZ2 3.61Å; F258-W263 HydrophobicContact CE1-CH2 4.06Å; F258-W263 AromaticContact CE1-CZ2 3.62Å; F258-W263 HydrophobicContact CE1-CZ2 3.62Å; F258-W263 HydrophobicContact CZ-CZ2 4.3Å; D260-W263 PolarHBondContact O-N 3.05Å |
| 264 | A | 92.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -135.3 | 116.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | T200 F258 S259 D260 | T200-A264 HydrophobicContact CG2-CB 4.1Å; F258-A264 HydrophobicContact CD1-CB 3.97Å; F258-A264 HydrophobicContact CE1-CB 3.92Å; S259-A264 WeakPolarHBondContact CA-O 3.11Å; S259-A264 PolarHBondContact OG-O 2.65Å; D260-A264 HydrophobicContact CB-CB 4Å; D260-A264 PolarHBondContact N-O 3.3Å; D260-A264 CarbonylContact O-C 3.54Å; D260-A264 PolarHBondContact O-N 2.86Å; D260-A264 VanDerWaalsContact O-N 3.13Å |
| 265 | D | 94.2 | Very high | 94.7 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | trans | -105.9 | 147.7 | 170.9 | -79.5 | -55.9 | 0 | 0 | 0 | 110.6 | K169 T200 L267 | K169-D265 IonicContact NZ-OD1 2.8Å; K169-D265 PolarHBondContact NZ-OD1 3.41Å; K169-D265 IonicContact NZ-OD2 3Å; T200-D265 PolarHBondContact OG1-O 2.82Å; D265-L267 HydrophobicContact CB-CD2 4.15Å; D265-L267 HydrophobicContact CB-CG 4.31Å | ||
| 266 | S | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -122.8 | 122.7 | 164.8 | -75.1 | 0 | 0 | 0 | 0 | 107.4 | G153 I154 D198 T200 F258 | G153-S266 WeakPolarHBondContact CA-O 3.26Å; I154-S266 PolarHBondContact N-O 3.16Å; D198-S266 CarbonylContact O-C 3.49Å; D198-S266 WeakPolarHBondContact O-CA 3.35Å; T200-S266 PolarHBondContact N-OG 3.21Å; T200-S266 PolarHBondContact O-OG 2.91Å; F258-S266 PolarHBondContact O-OG 2.84Å | ||
| 267 | L | 97.9 | Very high | 93.8 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 148.2 | -166.1 | -58.7 | 179.7 | 0 | 0 | 0 | 112 | V152 L171 Y197 D198 D265 | V152-L267 CarbonylContact O-C 3.57Å; V152-L267 WeakPolarHBondContact O-CA 3.29Å; L171-L267 HydrophobicContact CD1-CD2 3.96Å; Y197-L267 WeakPolarHBondContact CA-O 2.95Å; Y197-L267 WeakPolarHBondContact CB-O 3.25Å; D198-L267 PolarHBondContact N-O 3.12Å; D198-L267 PolarHBondContact O-N 2.86Å; D265-L267 HydrophobicContact CB-CD2 4.15Å; D265-L267 HydrophobicContact CB-CG 4.31Å |
| 268 | F | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128.6 | 168.6 | 176.1 | -140.2 | 0 | 0 | 0 | 108.8 | F150 V152 F167 Y178 F195 L210 V245 L247 | F150-F268 AromaticContact CE2-CD1 3.64Å; F150-F268 HydrophobicContact CE2-CD1 3.64Å; F150-F268 AromaticContact CE2-CE1 3.65Å; F150-F268 HydrophobicContact CE2-CE1 3.65Å; F150-F268 HydrophobicContact CE2-CG 4.09Å; F150-F268 HydrophobicContact CE2-CZ 4.11Å; F150-F268 HydrophobicContact CZ-CD1 4.07Å; F150-F268 AromaticContact CZ-CE1 3.61Å; F150-F268 HydrophobicContact CZ-CE1 3.61Å; F150-F268 HydrophobicContact CZ-CE2 4.17Å; F150-F268 AromaticContact CZ-CZ 3.66Å; F150-F268 HydrophobicContact CZ-CZ 3.66Å; V152-F268 HydrophobicContact CG2-CB 4.11Å; V152-F268 HydrophobicContact CG2-CD1 4.36Å; V152-F268 VanDerWaalsContact CG2-O 3.28Å; V152-F268 WeakPolarHBondContact CG2-O 3.34Å; V152-F268 PolarHBondContact N-O 2.96Å; V152-F268 PolarHBondContact O-N 2.77Å; F167-F268 HydrophobicContact CD1-CB 4.17Å; F167-F268 HydrophobicContact CD2-CB 4.07Å; F167-F268 HydrophobicContact CD2-CD1 4.33Å; F167-F268 HydrophobicContact CE1-CB 4.06Å; F167-F268 HydrophobicContact CE2-CB 3.95Å; F167-F268 HydrophobicContact CE2-CD1 4.44Å; F167-F268 HydrophobicContact CG-CB 4.21Å; F167-F268 HydrophobicContact CZ-CB 3.96Å; Y178-F268 HydrophobicContact CE2-CD1 4.26Å; Y178-F268 HydrophobicContact CE2-CE1 4.38Å; F195-F268 HydrophobicContact CB-CE2 4.35Å; F195-F268 AromaticContact CD1-CE2 3.93Å; F195-F268 HydrophobicContact CD1-CE2 3.93Å; F195-F268 AromaticContact CD1-CZ 3.92Å; F195-F268 HydrophobicContact CD1-CZ 3.92Å; F195-F268 HydrophobicContact CE1-CZ 4.44Å; L210-F268 HydrophobicContact CD1-CE2 4.24Å; V245-F268 HydrophobicContact CG1-CZ 4.39Å; L247-F268 HydrophobicContact CD1-CB 3.79Å; L247-F268 HydrophobicContact CD1-CD1 4.26Å; L247-F268 HydrophobicContact CD1-CD2 3.75Å; L247-F268 HydrophobicContact CD1-CE2 4.41Å; L247-F268 HydrophobicContact CD1-CG 3.67Å; L247-F268 HydrophobicContact CD2-CE2 4.45Å; L247-F268 HydrophobicContact CG-CD1 4.3Å; L247-F268 HydrophobicContact CG-CD2 4.05Å; L247-F268 HydrophobicContact CG-CE1 4.46Å; L247-F268 HydrophobicContact CG-CE2 4.22Å; L247-F268 HydrophobicContact CG-CG 4.1Å; L247-F268 HydrophobicContact CG-CZ 4.42Å |
| 269 | S | 98.7 | Very high | 92.4 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 15% | 0.147 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 150.4 | -176.8 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | F150 S151 F195 S196 | F150-S269 WeakPolarHBondContact O-CA 3.23Å; S151-S269 WeakPolarHBondContact CB-OG 3.29Å; S151-S269 PolarHBondContact OG-OG 3.26Å; F195-S269 WeakPolarHBondContact CA-O 3.3Å; S196-S269 PolarHBondContact N-O 2.62Å; S196-S269 PolarHBondContact O-N 3.18Å; S196-S269 VanDerWaalsContact O-O 3.06Å |
| 270 | G | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 147.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A149 F150 Y194 | A149-G270 CarbonylContact C-O 3.56Å; A149-G270 VanDerWaalsContact CA-O 3.29Å; A149-G270 WeakPolarHBondContact CA-O 3.5Å; F150-G270 WeakPolarHBondContact CD1-O 3.4Å; F150-G270 PolarHBondContact N-O 2.82Å; F150-G270 PolarHBondContact O-N 2.86Å; Y194-G270 CarbonylContact O-C 3.24Å; Y194-G270 WeakPolarHBondContact O-CA 3.49Å |
| 271 | F | 98.1 | Very high | 90.9 | Very high | 85 Ų | 85 | 62.6 Ų | 62.6 | 37% | 0.373 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 152.2 | 179.1 | 58.4 | -88.2 | 0 | 0 | 0 | 112.6 | S148 A149 Y193 Y194 L273 | S148-F271 CarbonylContact O-C 3.58Å; S148-F271 WeakPolarHBondContact O-CA 3.41Å; A149-F271 HydrophobicContact CB-CB 3.6Å; Y193-F271 WeakPolarHBondContact CA-O 3.41Å; Y194-F271 HydrophobicContact CD1-CD1 4.23Å; Y194-F271 AromaticContact CD1-CE1 3.42Å; Y194-F271 HydrophobicContact CD1-CE1 3.42Å; Y194-F271 VanDerWaalsContact CD1-CE1 3.42Å; Y194-F271 AromaticContact CD1-CZ 3.65Å; Y194-F271 HydrophobicContact CD1-CZ 3.65Å; Y194-F271 HydrophobicContact CE1-CE1 4.13Å; Y194-F271 HydrophobicContact CE1-CZ 4.42Å; Y194-F271 HydrophobicContact CG-CE1 4.25Å; Y194-F271 HydrophobicContact CG-CZ 4.11Å; Y194-F271 PolarHBondContact N-O 3.29Å; Y194-F271 PolarHBondContact O-N 3.35Å; F271-L273 HydrophobicContact CD2-CD2 4.14Å; F271-L273 HydrophobicContact CE2-CD2 3.49Å; F271-L273 VanDerWaalsContact CE2-CD2 3.49Å; F271-L273 HydrophobicContact CE2-CG 4.27Å; F271-L273 HydrophobicContact CZ-CD2 4.38Å |
| 272 | L | 96.6 | Very high | 90.2 | Very high | 26 Ų | 26 | 59.3 Ų | 59.3 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 123.4 | 174.3 | -179.7 | 62 | 0 | 0 | 0 | 110 | S148 I189 Y193 Y274 V275 | S148-L272 PolarHBondContact O-N 2.05Å; I189-L272 HydrophobicContact CB-CD2 4.34Å; I189-L272 HydrophobicContact CG2-CD2 3.79Å; Y193-L272 HydrophobicContact CD1-CB 4.17Å; Y193-L272 HydrophobicContact CD2-CD1 4.1Å; Y193-L272 HydrophobicContact CE1-CB 3.72Å; Y193-L272 HydrophobicContact CE1-CD1 4.13Å; Y193-L272 HydrophobicContact CE1-CG 4.48Å; Y193-L272 HydrophobicContact CE2-CD1 3.65Å; L272-Y274 WeakPolarHBondContact CD1-O 3.21Å; L272-V275 HydrophobicContact CD2-CG2 3.67Å; L272-V275 HydrophobicContact CG-CG2 4.45Å |
| 273 | L | 93.6 | Very high | 89.4 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -52 | 173 | -71.5 | 173.5 | 0 | 0 | 0 | 111.1 | I192 V236 F271 | I192-L273 HydrophobicContact CG2-CB 4.44Å; I192-L273 HydrophobicContact CG2-CD1 4.21Å; I192-L273 WeakPolarHBondContact O-CB 3.45Å; I192-L273 PolarHBondContact O-N 3.01Å; V236-L273 HydrophobicContact CG1-CD1 4.45Å; V236-L273 HydrophobicContact CG2-CD1 4.33Å; F271-L273 HydrophobicContact CD2-CD2 4.14Å; F271-L273 HydrophobicContact CE2-CD2 3.49Å; F271-L273 VanDerWaalsContact CE2-CD2 3.49Å; F271-L273 HydrophobicContact CE2-CG 4.27Å; F271-L273 HydrophobicContact CZ-CD2 4.38Å |
| 274 | Y | 90.6 | Very high | 88.4 | Confident | 139 Ų | 139 | 49.6 Ų | 49.6 | 55% | 0.545 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 124 | -176 | -59.9 | -69.5 | 0 | 0 | 0 | 109.3 | I33 G191 I192 L272 | I33-Y274 HydrophobicContact CD1-CD1 4.46Å; G191-Y274 CarbonylContact C-O 3.54Å; G191-Y274 VanDerWaalsContact CA-O 3.26Å; G191-Y274 WeakPolarHBondContact CA-O 3.27Å; I192-Y274 HydrophobicContact CB-CD2 4.48Å; I192-Y274 HydrophobicContact CD1-CD2 4.26Å; I192-Y274 PolarHBondContact N-O 2.87Å; I192-Y274 PolarHBondContact O-N 2.9Å; L272-Y274 WeakPolarHBondContact CD1-O 3.21Å |
| 275 | V | 90.1 | Very high | 87.2 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 146.4 | 171.1 | -169 | 0 | 0 | 0 | 0 | 108.6 | L146 I189 L272 T277 Y279 L280 | L146-V275 HydrophobicContact CB-CG2 4.01Å; L146-V275 HydrophobicContact CD1-CG1 3.73Å; L146-V275 HydrophobicContact CD1-CG2 4.09Å; I189-V275 HydrophobicContact CG2-CG1 3.83Å; I189-V275 HydrophobicContact CG2-CG2 4.48Å; L272-V275 HydrophobicContact CD2-CG2 3.67Å; L272-V275 HydrophobicContact CG-CG2 4.45Å; V275-T277 PolarHBondContact O-N 3.24Å; V275-Y279 HydrophobicContact CG1-CD1 3.9Å; V275-L280 HydrophobicContact CB-CD1 3.85Å; V275-L280 HydrophobicContact CB-CD2 4.23Å; V275-L280 HydrophobicContact CB-CG 3.88Å; V275-L280 HydrophobicContact CG1-CD1 4.19Å; V275-L280 HydrophobicContact CG1-CD2 3.94Å; V275-L280 HydrophobicContact CG1-CG 3.64Å; V275-L280 HydrophobicContact CG2-CD1 4.44Å; V275-L280 HydrophobicContact CG2-CD2 4.35Å |
| 276 | D | 88.9 | Confident | 85.5 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | trans | -58.5 | 131.9 | 167.3 | -166.6 | -74.7 | 0 | 0 | 0 | 111.4 | P190 Y238 D278 Y279 L280 | P190-D276 HydrophobicContact CB-CB 3.97Å; P190-D276 HydrophobicContact CG-CB 4.11Å; P190-D276 PolarHBondContact O-N 3.41Å; Y238-D276 PolarHBondContact OH-OD2 3.44Å; D276-D278 WeakPolarHBondContact OD1-CB 3.31Å; D276-D278 PolarHBondContact OD1-N 3.37Å; D276-Y279 PolarHBondContact O-N 3.46Å; D276-Y279 PolarHBondContact OD1-N 3.42Å; D276-L280 PolarHBondContact O-N 3.43Å; D276-L280 VanDerWaalsContact O-N 3.15Å | ||
| 277 | T | 82.8 | Confident | 83.7 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 52% | 0.515 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.9 | -36.2 | -174.8 | 46.7 | 0 | 0 | 0 | 0 | 112.5 | V275 Y279 L280 D281 | V275-T277 PolarHBondContact O-N 3.24Å; T277-Y279 VanDerWaalsContact C-N 3.27Å; T277-Y279 PolarHBondContact O-N 3.32Å; T277-L280 PolarHBondContact O-N 3.46Å; T277-D281 WeakPolarHBondContact O-CB 3.38Å; T277-D281 VanDerWaalsContact O-CG 3.32Å; T277-D281 PolarHBondContact O-N 3.43Å |
| 278 | D | 82.1 | Confident | 81.6 | Confident | 120 Ų | 120 | 66.9 Ų | 66.9 | 64% | 0.642 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -69.2 | -35.2 | -177.6 | -60.3 | -11.7 | 0 | 0 | 0 | 109.7 | D276 D281 A282 | D276-D278 WeakPolarHBondContact OD1-CB 3.31Å; D276-D278 PolarHBondContact OD1-N 3.37Å; D278-D281 PolarHBondContact O-N 3.41Å; D278-A282 PolarHBondContact O-N 3.47Å; D278-A282 VanDerWaalsContact O-N 3.09Å |
| 279 | Y | 79.7 | Confident | 79.1 | Confident | 77 Ų | 77 | 77 Ų | 77 | 30% | 0.302 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 173.1 | -176.2 | -103.4 | 0 | 0 | 0 | 112.9 | L146 I189 P190 V275 D276 T277 D281 L283 | L146-Y279 HydrophobicContact CD1-CD1 4Å; L146-Y279 HydrophobicContact CD1-CE1 3.69Å; I189-Y279 HydrophobicContact CG2-CD1 4.35Å; I189-Y279 HydrophobicContact CG2-CE1 4.07Å; P190-Y279 HydrophobicContact CG-CD1 3.91Å; P190-Y279 HydrophobicContact CG-CD2 3.58Å; P190-Y279 HydrophobicContact CG-CE2 4.25Å; P190-Y279 HydrophobicContact CG-CG 3.38Å; V275-Y279 HydrophobicContact CG1-CD1 3.9Å; D276-Y279 PolarHBondContact O-N 3.46Å; D276-Y279 PolarHBondContact OD1-N 3.42Å; T277-Y279 VanDerWaalsContact C-N 3.27Å; T277-Y279 PolarHBondContact O-N 3.32Å; Y279-D281 VanDerWaalsContact C-N 3.34Å; Y279-L283 HydrophobicContact CD1-CD1 3.95Å; Y279-L283 HydrophobicContact CE1-CD1 3.45Å; Y279-L283 VanDerWaalsContact CE1-CD1 3.45Å; Y279-L283 HydrophobicContact CE1-CG 4.3Å; Y279-L283 WeakPolarHBondContact O-CG 3.08Å; Y279-L283 PolarHBondContact O-N 3.41Å |
| 280 | L | 78.5 | Confident | 78.1 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 33% | 0.325 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 175.4 | -78.2 | 175.7 | 0 | 0 | 0 | 112.3 | L146 V275 D276 T277 L283 S284 | L146-L280 HydrophobicContact CD1-CD2 3.7Å; V275-L280 HydrophobicContact CB-CD1 3.85Å; V275-L280 HydrophobicContact CB-CD2 4.23Å; V275-L280 HydrophobicContact CB-CG 3.88Å; V275-L280 HydrophobicContact CG1-CD1 4.19Å; V275-L280 HydrophobicContact CG1-CD2 3.94Å; V275-L280 HydrophobicContact CG1-CG 3.64Å; V275-L280 HydrophobicContact CG2-CD1 4.44Å; V275-L280 HydrophobicContact CG2-CD2 4.35Å; D276-L280 PolarHBondContact O-N 3.43Å; D276-L280 VanDerWaalsContact O-N 3.15Å; T277-L280 PolarHBondContact O-N 3.46Å; L280-L283 PolarHBondContact O-N 3.25Å; L280-S284 PolarHBondContact O-N 3.39Å; L280-S284 VanDerWaalsContact O-N 3.13Å |
| 281 | D | 77.4 | Confident | 77.1 | Confident | 58 Ų | 58 | 84 Ų | 84 | 31% | 0.31 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | -179.1 | -74.9 | -2.6 | 0 | 0 | 0 | 110.4 | R31 T277 D278 Y279 L283 S284 D285 | R31-D281 IonicContact CZ-OD1 4Å; R31-D281 IonicContact NH1-OD1 3.64Å; R31-D281 PolarHBondContact NH1-OD1 3.49Å; R31-D281 IonicContact NH1-OD2 2.65Å; R31-D281 PolarHBondContact NH1-OD2 3.47Å; T277-D281 WeakPolarHBondContact O-CB 3.38Å; T277-D281 VanDerWaalsContact O-CG 3.32Å; T277-D281 PolarHBondContact O-N 3.43Å; D278-D281 PolarHBondContact O-N 3.41Å; Y279-D281 VanDerWaalsContact C-N 3.34Å; D281-L283 PolarHBondContact O-N 3.43Å; D281-S284 PolarHBondContact O-N 3.43Å; D281-S284 PolarHBondContact O-OG 3.25Å; D281-D285 PolarHBondContact O-N 3.3Å |
| 282 | A | 76.8 | Confident | 75.9 | Confident | 52 Ų | 52 | 83.9 Ų | 83.9 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D278 S284 D285 E286 | D278-A282 PolarHBondContact O-N 3.47Å; D278-A282 VanDerWaalsContact O-N 3.09Å; A282-S284 PolarHBondContact O-N 3.46Å; A282-D285 PolarHBondContact O-N 3.38Å; A282-E286 PolarHBondContact O-N 3.14Å |
| 283 | L | 74.5 | Confident | 74.7 | Confident | 39 Ų | 39 | 87.4 Ų | 87.4 | 20% | 0.204 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.5 | -30.4 | 176.4 | -72.1 | 174.5 | 0 | 0 | 0 | 112.8 | I144 L146 Y279 L280 D281 D285 | I144-L283 HydrophobicContact CD1-CB 3.8Å; I144-L283 HydrophobicContact CG2-CD1 4.33Å; L146-L283 HydrophobicContact CD1-CD1 3.88Å; L146-L283 HydrophobicContact CD2-CD1 4.39Å; Y279-L283 HydrophobicContact CD1-CD1 3.95Å; Y279-L283 HydrophobicContact CE1-CD1 3.45Å; Y279-L283 VanDerWaalsContact CE1-CD1 3.45Å; Y279-L283 HydrophobicContact CE1-CG 4.3Å; Y279-L283 WeakPolarHBondContact O-CG 3.08Å; Y279-L283 PolarHBondContact O-N 3.41Å; L280-L283 PolarHBondContact O-N 3.25Å; D281-L283 PolarHBondContact O-N 3.43Å; L283-D285 VanDerWaalsContact C-N 3.35Å |
| 284 | S | 68.7 | Low | 73.5 | Confident | 23 Ų | 23 | 88.3 Ų | 88.3 | 16% | 0.161 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -76.2 | -24.1 | -179.1 | 80.4 | 0 | 0 | 0 | 0 | 113.7 | L280 D281 A282 | L280-S284 PolarHBondContact O-N 3.39Å; L280-S284 VanDerWaalsContact O-N 3.13Å; D281-S284 PolarHBondContact O-N 3.43Å; D281-S284 PolarHBondContact O-OG 3.25Å; A282-S284 PolarHBondContact O-N 3.46Å |
| 285 | D | 67.3 | Low | 72.4 | Confident | 106 Ų | 106 | 84.9 Ų | 84.9 | 57% | 0.567 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -80.8 | -28.8 | 177.4 | -68.9 | -19 | 0 | 0 | 0 | 111.8 | D281 A282 L283 | D281-D285 PolarHBondContact O-N 3.3Å; A282-D285 PolarHBondContact O-N 3.38Å; L283-D285 VanDerWaalsContact C-N 3.35Å |
| 286 | E | 59.9 | Low | 71.1 | Confident | 139 Ų | 139 | 88.7 Ų | 88.7 | 65% | 0.65 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -71.3 | -32.6 | 176.2 | -69.4 | -173.2 | 169.6 | 0 | 0 | 113.2 | A282 E288 | A282-E286 PolarHBondContact O-N 3.14Å; E286-E288 PolarHBondContact O-N 3.19Å |
| 287 | D | 57.8 | Low | 69.7 | Low | 98 Ų | 98 | 93 Ų | 93 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -10.5 | 178.4 | -96 | -12.4 | 0 | 0 | 0 | 113.7 | ||
| 288 | E | 55.3 | Low | 68.6 | Low | 138 Ų | 138 | 93.8 Ų | 93.8 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 0.3 | 179 | -72.2 | -172.5 | -172 | 0 | 0 | 114 | K140 E286 | K140-E288 IonicContact NZ-OE1 3.31Å; K140-E288 PolarHBondContact NZ-OE1 3.36Å; E286-E288 PolarHBondContact O-N 3.19Å |
| 289 | L | 45.7 | Very low | 67.4 | Low | 213 Ų | 213 | 91.4 Ų | 91.4 | 100% | 1.115 | 48% | 0.476 | S | S | * | . | trans | -99.7 | 0 | 175.1 | -80.6 | 161 | 0 | 0 | 0 | 112.9 |
Retrieved 289 of 289 residues in 170.3 ms
(Link to these results)