| 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 | 36 | Very low | 34.2 | Very low | 237 Ų | 237 | 151.7 Ų | 151.7 | 100% | 1.167 | 83% | 0.828 | S | S | * | * | 0 | 131 | 0 | -70.8 | -166 | -173.3 | 0 | 0 | 107.7 | |||||
| 2 | L | 36 | Very low | 34.2 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | 68.1 | 101.7 | 174.7 | -58.1 | 165.5 | 0 | 0 | 0 | 115.1 | ||||
| 3 | S | 32.3 | Very low | 34.5 | Very low | 101 Ų | 101 | 143.2 Ų | 143.2 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | 61.3 | 130.5 | 82 | 71.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 4 | S | 36.8 | Very low | 34.3 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | cis | -169.7 | 139.5 | 19.2 | 41.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 5 | N | 36.2 | Very low | 34.4 | Very low | 160 Ų | 160 | 150.5 Ų | 150.5 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | 67.7 | 99.2 | 145.9 | -58.9 | -9.1 | 0 | 0 | 0 | 122.2 | ||||
| 6 | L | 28.4 | Very low | 34.6 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -57.1 | 146.8 | 144.5 | -69.5 | 144.6 | 0 | 0 | 0 | 111.8 | ||||
| 7 | I | 36.1 | Very low | 34.8 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | -168 | 116.9 | 121.5 | -85.3 | 146.4 | 0 | 0 | 0 | 107.6 | |||||
| 8 | T | 29.9 | Very low | 34.9 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -87.7 | 131.7 | 166.8 | 46.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 9 | C | 33.6 | Very low | 35 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -157.1 | 108.4 | 149.9 | -134.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 10 | S | 35.3 | Very low | 34.9 | Very low | 92 Ų | 92 | 150 Ų | 150 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | 7.6 | 137.2 | 149.9 | 61 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 11 | R | 35.5 | Very low | 35 | Very low | 250 Ų | 250 | 151.7 Ų | 151.7 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | 83.4 | 112.3 | 131.2 | -76.9 | 171.7 | 176.3 | -175.6 | -0.6 | 118.9 | ||||
| 12 | G | 33.8 | Very low | 34.9 | Very low | 70 Ų | 70 | 148.2 Ų | 148.2 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | 117.7 | 55 | 127.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | F14 | G12-F14 PolarHBondContact O-N 3.37Š| |||
| 13 | T | 38.2 | Very low | 34.8 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -79.1 | 115.9 | 162.7 | 48.1 | 0 | 0 | 0 | 0 | 109.9 | F15 | T13-F15 PolarHBondContact O-N 2.94Å; T13-F15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | F | 32.6 | Very low | 35 | Very low | 201 Ų | 201 | 154.8 Ų | 154.8 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -53.5 | 109.3 | 172.3 | -84.8 | -98.9 | 0 | 0 | 0 | 111.1 | G12 I16 | G12-F14 PolarHBondContact O-N 3.37Å; F14-I16 PolarHBondContact O-N 2.96Å | ||
| 15 | F | 35.1 | Very low | 34.9 | Very low | 195 Ų | 195 | 159.8 Ų | 159.8 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -81.5 | 104.7 | 162.7 | -92.6 | -92.3 | 0 | 0 | 0 | 108.5 | T13 P17 | T13-F15 PolarHBondContact O-N 2.94Å; T13-F15 VanDerWaalsContact O-N 3.12Å; F15-P17 WeakPolarHBondContact O-CD 3.41Å | ||
| 16 | I | 38.4 | Very low | 34.8 | Very low | 137 Ų | 137 | 156.9 Ų | 156.9 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | trans | -74.1 | 119.2 | 162.5 | -62.7 | 165.7 | 0 | 0 | 0 | 106.4 | F14 V18 | F14-I16 PolarHBondContact O-N 2.96Å; I16-V18 PolarHBondContact O-N 3.18Å | ||
| 17 | P | 38.3 | Very low | 35.5 | Very low | 111 Ų | 111 | 159.1 Ų | 159.1 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -74.8 | 98.3 | 173.4 | 30.3 | -29.9 | 0 | 0 | 0 | 107.8 | F15 R19 | F15-P17 WeakPolarHBondContact O-CD 3.41Å; P17-R19 VanDerWaalsContact C-N 3.25Å; P17-R19 PolarHBondContact O-N 3.42Å | ||
| 18 | V | 36 | Very low | 36 | Very low | 97 Ų | 97 | 157.7 Ų | 157.7 | 59% | 0.588 | 78% | 0.782 | S | S | * | * | trans | -65.6 | 94 | 162 | -178.3 | 0 | 0 | 0 | 0 | 106.3 | I16 Y20 | I16-V18 PolarHBondContact O-N 3.18Å; V18-Y20 VanDerWaalsContact C-N 3.29Å; V18-Y20 HydrophobicContact CB-CE2 4.16Å; V18-Y20 HydrophobicContact CG1-CD2 4.14Å; V18-Y20 HydrophobicContact CG1-CE1 4.5Å; V18-Y20 HydrophobicContact CG1-CE2 3.89Å; V18-Y20 VanDerWaalsContact O-CD2 3.31Å; V18-Y20 WeakPolarHBondContact O-CD2 3.35Å; V18-Y20 PolarHBondContact O-N 2.71Å | ||
| 19 | R | 36.7 | Very low | 36.6 | Very low | 200 Ų | 200 | 154.2 Ų | 154.2 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -64.3 | 95.7 | 166.6 | -85.2 | -173.4 | 175 | -178.6 | -0 | 107.5 | P17 Y21 | P17-R19 VanDerWaalsContact C-N 3.25Å; P17-R19 PolarHBondContact O-N 3.42Å; R19-Y21 HydrophobicContact CB-CE2 4.4Å; R19-Y21 PolarHBondContact O-N 2.88Å; R19-Y21 VanDerWaalsContact O-N 3.07Å | ||
| 20 | Y | 32.9 | Very low | 37.2 | Very low | 198 Ų | 198 | 154.3 Ų | 154.3 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -63.2 | 103.5 | 163.8 | -73 | -86.1 | 0 | 0 | 0 | 108.4 | V18 L22 | V18-Y20 VanDerWaalsContact C-N 3.29Å; V18-Y20 HydrophobicContact CB-CE2 4.16Å; V18-Y20 HydrophobicContact CG1-CD2 4.14Å; V18-Y20 HydrophobicContact CG1-CE1 4.5Å; V18-Y20 HydrophobicContact CG1-CE2 3.89Å; V18-Y20 VanDerWaalsContact O-CD2 3.31Å; V18-Y20 WeakPolarHBondContact O-CD2 3.35Å; V18-Y20 PolarHBondContact O-N 2.71Å; Y20-L22 PolarHBondContact O-N 3.13Å; Y20-L22 VanDerWaalsContact O-N 3.13Å | ||
| 21 | Y | 37 | Very low | 37.7 | Very low | 185 Ų | 185 | 156.9 Ų | 156.9 | 73% | 0.725 | 77% | 0.772 | S | S | * | * | trans | -72.9 | 98.9 | 161.5 | -66.9 | -79.7 | 0 | 0 | 0 | 107.5 | R19 M23 | R19-Y21 HydrophobicContact CB-CE2 4.4Å; R19-Y21 PolarHBondContact O-N 2.88Å; R19-Y21 VanDerWaalsContact O-N 3.07Å; Y21-M23 PolarHBondContact O-N 2.86Å | ||
| 22 | L | 34.3 | Very low | 38 | Very low | 165 Ų | 165 | 150 Ų | 150 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -65 | 86.3 | 167.5 | -116.9 | 146.2 | 0 | 0 | 0 | 108.2 | Y20 R24 | Y20-L22 PolarHBondContact O-N 3.13Å; Y20-L22 VanDerWaalsContact O-N 3.13Å; L22-R24 PolarHBondContact O-N 2.77Å | ||
| 23 | M | 32.9 | Very low | 38.5 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 82% | 0.823 | 76% | 0.757 | S | S | * | * | trans | -66.8 | 108.7 | 164.9 | -77.9 | -72 | -167.2 | 0 | 0 | 107.6 | Y21 K25 | Y21-M23 PolarHBondContact O-N 2.86Å; M23-K25 PolarHBondContact O-N 2.73Å | ||
| 24 | R | 37.5 | Very low | 38.7 | Very low | 233 Ų | 233 | 155.8 Ų | 155.8 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | -60.4 | 100.8 | 165.6 | -89.3 | -173.5 | 173.3 | -168.5 | -0.5 | 108.5 | L22 S26 | L22-R24 PolarHBondContact O-N 2.77Å; R24-S26 PolarHBondContact O-N 3.45Å | ||
| 25 | K | 34.3 | Very low | 39.4 | Very low | 205 Ų | 205 | 149.7 Ų | 149.7 | 89% | 0.891 | 76% | 0.759 | S | S | * | * | trans | -75.7 | 98.8 | 160.4 | -81.6 | -178.6 | 172 | -179.5 | 0 | 108.5 | M23 | M23-K25 PolarHBondContact O-N 2.73Š| ||
| 26 | S | 33.5 | Very low | 39.7 | Very low | 99 Ų | 99 | 146 Ų | 146 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -168.9 | 83 | 161.1 | 54.4 | 0 | 0 | 0 | 0 | 111 | R24 | R24-S26 PolarHBondContact O-N 3.45Š| ||
| 27 | Y | 44.2 | Very low | 40 | Very low | 203 Ų | 203 | 149.1 Ų | 149.1 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | 171.1 | 117.1 | 138.2 | -165.1 | -109.5 | 0 | 0 | 0 | 108.7 | P29 | Y27-P29 HydrophobicContact CD1-CB 4.48Å; Y27-P29 HydrophobicContact CD1-CG 4.35Å; Y27-P29 HydrophobicContact CE1-CB 3.81Å; Y27-P29 HydrophobicContact CE1-CG 4.07Å | ||
| 28 | V | 47.4 | Very low | 40.4 | Very low | 138 Ų | 138 | 148.1 Ų | 148.1 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -123.4 | 105.9 | 169.1 | 179.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 29 | P | 42.5 | Very low | 41.1 | Very low | 54 Ų | 54 | 150 Ų | 150 | 35% | 0.351 | 75% | 0.752 | S | S | . | * | trans | -74.5 | 148.6 | 175.3 | 29.1 | -30 | 0 | 0 | 0 | 110.2 | Y27 L32 | Y27-P29 HydrophobicContact CD1-CB 4.48Å; Y27-P29 HydrophobicContact CD1-CG 4.35Å; Y27-P29 HydrophobicContact CE1-CB 3.81Å; Y27-P29 HydrophobicContact CE1-CG 4.07Å; P29-L32 HydrophobicContact CG-CD1 3.91Å | ||
| 30 | P | 44.3 | Very low | 41.7 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -78 | 132 | -179.5 | 32.3 | -31.2 | 0 | 0 | 0 | 110.2 | ||
| 31 | V | 45.9 | Very low | 42.5 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | trans | 60.7 | 90.8 | 166.8 | -163.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 32 | L | 43 | Very low | 43.3 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 55% | 0.55 | 76% | 0.76 | S | S | . | * | trans | -110.9 | 127.7 | 164.4 | -90.2 | 142.2 | 0 | 0 | 0 | 108.6 | P29 P38 | P29-L32 HydrophobicContact CG-CD1 3.91Å; L32-P38 HydrophobicContact CD2-CG 4.35Å | ||
| 33 | E | 42.9 | Very low | 44.4 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -59.6 | 141.5 | 171.9 | -71.1 | -175.4 | 158.1 | 0 | 0 | 110.7 | G35 | E33-G35 PolarHBondContact O-N 2.91Š| ||
| 34 | P | 43.3 | Very low | 45.7 | Very low | 140 Ų | 140 | 143 Ų | 143 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 99.7 | -179.4 | 27.6 | -31.5 | 0 | 0 | 0 | 110.3 | ||
| 35 | G | 47.2 | Very low | 47.1 | Very low | 74 Ų | 74 | 136 Ų | 136 | 76% | 0.763 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.2 | -21.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | E33 | E33-G35 PolarHBondContact O-N 2.91Š|
| 36 | V | 41.2 | Very low | 48.8 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.715 | 71% | 0.714 | S | S | * | * | trans | -127.7 | 94.9 | -174.5 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | P38 | V36-P38 WeakPolarHBondContact O-CD 3.31Š| ||
| 37 | Y | 45.4 | Very low | 50.3 | Low | 201 Ų | 201 | 132.8 Ų | 132.8 | 79% | 0.788 | 71% | 0.707 | S | S | * | * | trans | -69.7 | 123.2 | 169 | -93.4 | -87.5 | 0 | 0 | 0 | 109.9 | H39 | Y37-H39 VanDerWaalsContact C-N 3.3Å; Y37-H39 AromaticContact CD1-CD2 3.9Å; Y37-H39 PolarHBondContact O-N 3.07Å | ||
| 38 | P | 47 | Very low | 51.5 | Low | 90 Ų | 90 | 124.4 Ų | 124.4 | 58% | 0.584 | 68% | 0.683 | S | S | * | * | trans | -95.4 | 28.7 | 177.9 | 39.3 | -33.7 | 0 | 0 | 0 | 111.8 | L32 V36 | L32-P38 HydrophobicContact CD2-CG 4.35Å; V36-P38 WeakPolarHBondContact O-CD 3.31Å | ||
| 39 | H | 48.8 | Very low | 52.8 | Low | 137 Ų | 137 | 126 Ų | 126 | 63% | 0.634 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -80.5 | 127.7 | 164.2 | -69.3 | -49.2 | 0 | 0 | 0 | 107.2 | Y37 K41 | Y37-H39 VanDerWaalsContact C-N 3.3Å; Y37-H39 AromaticContact CD1-CD2 3.9Å; Y37-H39 PolarHBondContact O-N 3.07Å; H39-K41 VanDerWaalsContact C-N 3.25Å; H39-K41 PolarHBondContact O-N 2.94Å |
| 40 | P | 49.8 | Very low | 54.5 | Low | 110 Ų | 110 | 126.4 Ų | 126.4 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | trans | -57.2 | 105.4 | 158.9 | 25 | -28.9 | 0 | 0 | 0 | 104.4 | R42 | P40-R42 PolarHBondContact O-N 3.17Š| ||
| 41 | K | 49.5 | Very low | 56.5 | Low | 189 Ų | 189 | 124.3 Ų | 124.3 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | trans | -42.9 | 115.4 | 167.2 | -73.2 | -180 | 178.8 | 177.6 | 0 | 103.5 | H39 Q43 | H39-K41 VanDerWaalsContact C-N 3.25Å; H39-K41 PolarHBondContact O-N 2.94Å; K41-Q43 VanDerWaalsContact C-N 3.32Å; K41-Q43 WeakPolarHBondContact O-CA 3.34Å; K41-Q43 PolarHBondContact O-N 3.32Å | ||
| 42 | R | 54.1 | Low | 58.3 | Low | 234 Ų | 234 | 124.8 Ų | 124.8 | 88% | 0.883 | 65% | 0.645 | S | S | * | * | trans | -36.7 | 106.5 | 178 | -89.7 | 179.2 | 168.9 | 172.2 | -3.5 | 105.4 | P40 V44 | P40-R42 PolarHBondContact O-N 3.17Å; R42-V44 PolarHBondContact O-N 2.71Å | ||
| 43 | Q | 57.8 | Low | 60.4 | Low | 161 Ų | 161 | 128.1 Ų | 128.1 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | trans | -65.4 | 103.2 | -170.6 | -76.4 | -176.8 | -5.6 | 0 | 0 | 103.4 | K41 P45 | K41-Q43 VanDerWaalsContact C-N 3.32Å; K41-Q43 WeakPolarHBondContact O-CA 3.34Å; K41-Q43 PolarHBondContact O-N 3.32Å; Q43-P45 WeakPolarHBondContact O-CD 3.35Å | ||
| 44 | V | 60.9 | Low | 62.4 | Low | 74 Ų | 74 | 124.1 Ų | 124.1 | 45% | 0.448 | 64% | 0.637 | S | S | . | * | trans | -60.3 | 119.8 | 175.9 | -172.6 | 0 | 0 | 0 | 0 | 103 | R42 G48 R49 | R42-V44 PolarHBondContact O-N 2.71Å; V44-G48 VanDerWaalsContact CG1-CA 3.49Å; V44-G48 WeakPolarHBondContact CG1-O 3.42Å; V44-R49 HydrophobicContact CB-CG 4.2Å; V44-R49 PolarHBondContact O-NE 3.07Å | ||
| 45 | P | 66.9 | Low | 64.2 | Low | 86 Ų | 86 | 122.5 Ų | 122.5 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | trans | -51.6 | 148.1 | 178 | 21 | -31.4 | 0 | 0 | 0 | 107.7 | Q43 C47 G48 R49 | Q43-P45 WeakPolarHBondContact O-CD 3.35Å; P45-C47 PolarHBondContact O-N 2.99Å; P45-G48 WeakPolarHBondContact O-CA 3.44Å; P45-G48 PolarHBondContact O-N 3.31Å; P45-R49 PolarHBondContact O-N 2.98Å | ||
| 46 | E | 69.4 | Low | 66 | Low | 155 Ų | 155 | 123.1 Ų | 123.1 | 72% | 0.724 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -51.2 | -33.6 | -171.2 | -72.5 | -179.7 | 154.3 | 0 | 0 | 112.7 | G48 R49 | E46-G48 VanDerWaalsContact C-N 3.29Å; E46-G48 PolarHBondContact O-N 2.89Å; E46-R49 PolarHBondContact O-N 3.12Å; E46-R49 VanDerWaalsContact O-N 3.17Å |
| 47 | C | 64.5 | Low | 67.9 | Low | 81 Ų | 81 | 124.5 Ų | 124.5 | 55% | 0.547 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.5 | -30.1 | 173.2 | 60.9 | 0 | 0 | 0 | 0 | 114.9 | P45 R55 | P45-C47 PolarHBondContact O-N 2.99Å; C47-R55 WeakPolarHBondContact O-CD 3.37Å; C47-R55 PolarHBondContact O-NE 3.03Å |
| 48 | G | 69 | Low | 69.5 | Low | 28 Ų | 28 | 119.3 Ų | 119.3 | 29% | 0.289 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -89.5 | -13.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V44 P45 E46 K50 | V44-G48 VanDerWaalsContact CG1-CA 3.49Å; V44-G48 WeakPolarHBondContact CG1-O 3.42Å; P45-G48 WeakPolarHBondContact O-CA 3.44Å; P45-G48 PolarHBondContact O-N 3.31Å; E46-G48 VanDerWaalsContact C-N 3.29Å; E46-G48 PolarHBondContact O-N 2.89Å; G48-K50 VanDerWaalsContact C-N 3.31Å |
| 49 | R | 75.5 | Confident | 71 | Confident | 170 Ų | 170 | 122.4 Ų | 122.4 | 64% | 0.642 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72 | -30 | 170.8 | -65.6 | -174.5 | -177.3 | -173.8 | 0.2 | 111.6 | V44 P45 E46 | V44-R49 HydrophobicContact CB-CG 4.2Å; V44-R49 PolarHBondContact O-NE 3.07Å; P45-R49 PolarHBondContact O-N 2.98Å; E46-R49 PolarHBondContact O-N 3.12Å; E46-R49 VanDerWaalsContact O-N 3.17Å |
| 50 | K | 78.1 | Confident | 72.5 | Confident | 64 Ų | 64 | 119.2 Ų | 119.2 | 28% | 0.278 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -66.2 | 133.8 | 179 | -62.4 | -177.5 | -165.4 | 179.6 | 0 | 110.9 | G48 E54 R55 E58 | G48-K50 VanDerWaalsContact C-N 3.31Å; K50-E54 WeakPolarHBondContact CA-OE2 3.46Å; K50-E54 HydrophobicContact CB-CB 4.02Å; K50-E54 WeakPolarHBondContact CB-OE2 3.4Å; K50-R55 HydrophobicContact CB-CG 3.89Å; K50-R55 PolarHBondContact O-NE 3.37Å; K50-R55 PolarHBondContact O-NH2 3.24Å; K50-E58 WeakPolarHBondContact CD-OE1 3.33Å; K50-E58 WeakPolarHBondContact CD-OE2 3.45Å; K50-E58 WeakPolarHBondContact CE-OE1 3.47Å; K50-E58 IonicContact NZ-OE1 3.17Å; K50-E58 PolarHBondContact NZ-OE1 3.41Å; K50-E58 IonicContact NZ-OE2 3.69Å; K50-E58 PolarHBondContact NZ-OE2 3.08Å |
| 51 | T | 86.4 | Confident | 73.3 | Confident | 73 Ų | 73 | 117.9 Ų | 117.9 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | trans | -61.1 | 157.5 | 173 | 63.2 | 0 | 0 | 0 | 0 | 109.9 | K53 E54 R55 | T51-K53 PolarHBondContact O-N 2.77Å; T51-E54 PolarHBondContact N-OE2 3.03Å; T51-E54 PolarHBondContact O-N 2.61Å; T51-E54 VanDerWaalsContact O-N 3.14Å; T51-E54 WeakPolarHBondContact OG1-CG 3.44Å; T51-E54 PolarHBondContact OG1-N 2.56Å; T51-E54 PolarHBondContact OG1-OE1 3.06Å; T51-R55 PolarHBondContact O-N 3.27Å | ||
| 52 | F | 83.4 | Confident | 74.3 | Confident | 156 Ų | 156 | 115.3 Ų | 115.3 | 68% | 0.684 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -56.1 | -35 | 177.6 | 179.5 | -107.7 | 0 | 0 | 0 | 112 | R55 I56 | F52-R55 PolarHBondContact O-N 3.43Å; F52-I56 HydrophobicContact CD1-CD1 3.82Å; F52-I56 HydrophobicContact CE1-CD1 3.22Å; F52-I56 HydrophobicContact CE1-CG1 4.21Å; F52-I56 HydrophobicContact CE2-CD1 4.15Å; F52-I56 HydrophobicContact CE2-CG1 4.41Å; F52-I56 HydrophobicContact CZ-CD1 3.42Å; F52-I56 VanDerWaalsContact CZ-CD1 3.42Å; F52-I56 HydrophobicContact CZ-CG1 4.15Å; F52-I56 PolarHBondContact O-N 3.36Å |
| 53 | K | 87.3 | Confident | 74.6 | Confident | 176 Ų | 176 | 110.2 Ų | 110.2 | 77% | 0.765 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.9 | -47.4 | 175.9 | -174.9 | 179.9 | 178.7 | -177.2 | 0 | 112.1 | T51 R55 I56 K57 | T51-K53 PolarHBondContact O-N 2.77Å; K53-R55 VanDerWaalsContact C-N 3.34Å; K53-R55 PolarHBondContact O-N 3.12Å; K53-I56 PolarHBondContact O-N 3.28Å; K53-K57 PolarHBondContact O-N 3.32Å |
| 54 | E | 85.8 | Confident | 74.9 | Confident | 90 Ų | 90 | 109.7 Ų | 109.7 | 42% | 0.421 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.5 | -42.3 | 176.3 | -75.5 | 151.2 | -138 | 0 | 0 | 111.6 | K50 T51 K57 E58 | K50-E54 WeakPolarHBondContact CA-OE2 3.46Å; K50-E54 HydrophobicContact CB-CB 4.02Å; K50-E54 WeakPolarHBondContact CB-OE2 3.4Å; T51-E54 PolarHBondContact N-OE2 3.03Å; T51-E54 PolarHBondContact O-N 2.61Å; T51-E54 VanDerWaalsContact O-N 3.14Å; T51-E54 WeakPolarHBondContact OG1-CG 3.44Å; T51-E54 PolarHBondContact OG1-N 2.56Å; T51-E54 PolarHBondContact OG1-OE1 3.06Å; E54-K57 WeakPolarHBondContact O-CB 3.18Å; E54-K57 PolarHBondContact O-N 3Å; E54-K57 VanDerWaalsContact O-N 3.17Å; E54-E58 PolarHBondContact O-N 3.29Å |
| 55 | R | 81.3 | Confident | 75.1 | Confident | 106 Ų | 106 | 109.1 Ų | 109.1 | 40% | 0.4 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64 | -41.9 | 177.8 | -78.5 | -174.6 | -103.4 | 165.7 | -10.1 | 113.3 | C47 K50 T51 F52 K53 K57 E58 L59 | C47-R55 WeakPolarHBondContact O-CD 3.37Å; C47-R55 PolarHBondContact O-NE 3.03Å; K50-R55 HydrophobicContact CB-CG 3.89Å; K50-R55 PolarHBondContact O-NE 3.37Å; K50-R55 PolarHBondContact O-NH2 3.24Å; T51-R55 PolarHBondContact O-N 3.27Å; F52-R55 PolarHBondContact O-N 3.43Å; K53-R55 VanDerWaalsContact C-N 3.34Å; K53-R55 PolarHBondContact O-N 3.12Å; R55-K57 VanDerWaalsContact C-N 3.29Å; R55-E58 PolarHBondContact O-N 3.41Å; R55-L59 WeakPolarHBondContact O-CG 3.41Å; R55-L59 PolarHBondContact O-N 2.85Å |
| 56 | I | 84.1 | Confident | 75 | Confident | 86 Ų | 86 | 110.2 Ų | 110.2 | 44% | 0.441 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -41.5 | 173.3 | -73.2 | 178.4 | 0 | 0 | 0 | 110.4 | F52 K53 E58 L59 A60 | F52-I56 HydrophobicContact CD1-CD1 3.82Å; F52-I56 HydrophobicContact CE1-CD1 3.22Å; F52-I56 HydrophobicContact CE1-CG1 4.21Å; F52-I56 HydrophobicContact CE2-CD1 4.15Å; F52-I56 HydrophobicContact CE2-CG1 4.41Å; F52-I56 HydrophobicContact CZ-CD1 3.42Å; F52-I56 VanDerWaalsContact CZ-CD1 3.42Å; F52-I56 HydrophobicContact CZ-CG1 4.15Å; F52-I56 PolarHBondContact O-N 3.36Å; K53-I56 PolarHBondContact O-N 3.28Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 PolarHBondContact O-N 3.25Å; I56-L59 PolarHBondContact O-N 3.19Å; I56-A60 VanDerWaalsContact O-CB 3.29Å; I56-A60 WeakPolarHBondContact O-CB 3.35Å; I56-A60 PolarHBondContact O-N 3.05Å |
| 57 | K | 81.2 | Confident | 74.8 | Confident | 148 Ų | 148 | 107.3 Ų | 107.3 | 64% | 0.643 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.4 | -44.9 | 179.1 | -166.9 | -178.5 | 178.7 | -171.5 | 0 | 111.2 | K53 E54 R55 A60 M61 | K53-K57 PolarHBondContact O-N 3.32Å; E54-K57 WeakPolarHBondContact O-CB 3.18Å; E54-K57 PolarHBondContact O-N 3Å; E54-K57 VanDerWaalsContact O-N 3.17Å; R55-K57 VanDerWaalsContact C-N 3.29Å; K57-A60 PolarHBondContact O-N 3.14Å; K57-M61 WeakPolarHBondContact O-CG 3.37Å; K57-M61 PolarHBondContact O-N 3.4Å; K57-M61 VanDerWaalsContact O-N 3.1Å |
| 58 | E | 79.1 | Confident | 74.7 | Confident | 92 Ų | 92 | 105.3 Ų | 105.3 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 176.2 | -73.6 | -177.3 | 170.5 | 0 | 0 | 113.1 | K50 E54 R55 I56 A60 M61 | K50-E58 WeakPolarHBondContact CD-OE1 3.33Å; K50-E58 WeakPolarHBondContact CD-OE2 3.45Å; K50-E58 WeakPolarHBondContact CE-OE1 3.47Å; K50-E58 IonicContact NZ-OE1 3.17Å; K50-E58 PolarHBondContact NZ-OE1 3.41Å; K50-E58 IonicContact NZ-OE2 3.69Å; K50-E58 PolarHBondContact NZ-OE2 3.08Å; E54-E58 PolarHBondContact O-N 3.29Å; R55-E58 PolarHBondContact O-N 3.41Å; I56-E58 VanDerWaalsContact C-N 3.34Å; I56-E58 PolarHBondContact O-N 3.25Å; E58-A60 VanDerWaalsContact C-N 3.27Å; E58-A60 PolarHBondContact O-N 3.34Å; E58-M61 PolarHBondContact O-N 3.37Å |
| 59 | L | 79 | Confident | 74.7 | Confident | 155 Ų | 155 | 108.9 Ų | 108.9 | 81% | 0.812 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.2 | -28.5 | 176.6 | -72.1 | 171.6 | 0 | 0 | 0 | 112.8 | R55 I56 | R55-L59 WeakPolarHBondContact O-CG 3.41Å; R55-L59 PolarHBondContact O-N 2.85Å; I56-L59 PolarHBondContact O-N 3.19Å |
| 60 | A | 79.3 | Confident | 74.8 | Confident | 70 Ų | 70 | 109.3 Ų | 109.3 | 58% | 0.579 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -82.3 | -16.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I56 K57 E58 K62 | I56-A60 VanDerWaalsContact O-CB 3.29Å; I56-A60 WeakPolarHBondContact O-CB 3.35Å; I56-A60 PolarHBondContact O-N 3.05Å; K57-A60 PolarHBondContact O-N 3.14Å; E58-A60 VanDerWaalsContact C-N 3.27Å; E58-A60 PolarHBondContact O-N 3.34Å; A60-K62 PolarHBondContact O-N 3.49Å; A60-K62 VanDerWaalsContact O-N 3.14Å |
| 61 | M | 67.1 | Low | 75.1 | Confident | 82 Ų | 82 | 110.2 Ų | 110.2 | 40% | 0.404 | 57% | 0.573 | S | S | . | * | trans | -66.5 | 110.9 | 176.6 | -79.6 | 161.5 | 118.2 | 0 | 0 | 109.5 | K57 E58 S68 | K57-M61 WeakPolarHBondContact O-CG 3.37Å; K57-M61 PolarHBondContact O-N 3.4Å; K57-M61 VanDerWaalsContact O-N 3.1Å; E58-M61 PolarHBondContact O-N 3.37Å; M61-S68 VanDerWaalsContact CE-CB 3.44Å; M61-S68 VanDerWaalsContact CE-O 3.28Å; M61-S68 WeakPolarHBondContact CE-O 3.31Å | ||
| 62 | K | 69.2 | Low | 75.3 | Confident | 134 Ų | 134 | 110.2 Ų | 110.2 | 58% | 0.583 | 57% | 0.573 | S | S | * | * | trans | -72.1 | 141.7 | 166.6 | -60.7 | 178.8 | -173.7 | 165.8 | 0 | 108.1 | A60 N64 D65 | A60-K62 PolarHBondContact O-N 3.49Å; A60-K62 VanDerWaalsContact O-N 3.14Å; K62-N64 PolarHBondContact O-N 3.4Å; K62-D65 HydrophobicContact CB-CB 4.34Å; K62-D65 WeakPolarHBondContact CB-OD2 3.42Å; K62-D65 WeakPolarHBondContact CD-OD2 3.41Å; K62-D65 PolarHBondContact O-N 3.17Å; K62-D65 VanDerWaalsContact O-N 3.12Å | ||
| 63 | P | 61.6 | Low | 75.8 | Confident | 127 Ų | 127 | 107.2 Ų | 107.2 | 83% | 0.825 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -14.6 | -171.3 | 21.2 | -32.4 | 0 | 0 | 0 | 115 | ||
| 64 | N | 64 | Low | 76.1 | Confident | 150 Ų | 150 | 99.8 Ų | 99.8 | 80% | 0.802 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | 13.3 | -178.5 | -66.2 | -3.8 | 0 | 0 | 0 | 113.5 | K62 L66 | K62-N64 PolarHBondContact O-N 3.4Å; N64-L66 PolarHBondContact O-N 2.78Å |
| 65 | D | 66 | Low | 76.5 | Confident | 63 Ų | 63 | 96.3 Ų | 96.3 | 34% | 0.337 | 52% | 0.52 | S | S | . | . | trans | -75.9 | 116.8 | 176.8 | -84.3 | -13.3 | 0 | 0 | 0 | 109.5 | K62 S67 S68 | K62-D65 HydrophobicContact CB-CB 4.34Å; K62-D65 WeakPolarHBondContact CB-OD2 3.42Å; K62-D65 WeakPolarHBondContact CD-OD2 3.41Å; K62-D65 PolarHBondContact O-N 3.17Å; K62-D65 VanDerWaalsContact O-N 3.12Å; D65-S67 PolarHBondContact O-N 3.47Å; D65-S67 VanDerWaalsContact O-N 3.08Å; D65-S68 VanDerWaalsContact O-CB 3.23Å; D65-S68 WeakPolarHBondContact O-CB 3.38Å; D65-S68 PolarHBondContact O-N 2.79Å; D65-S68 PolarHBondContact O-OG 3.14Å | ||
| 66 | L | 64.6 | Low | 77.1 | Confident | 108 Ų | 108 | 91.8 Ų | 91.8 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -55 | -27.7 | 179.5 | -73.7 | 164.5 | 0 | 0 | 0 | 113.6 | N64 S68 L69 P137 | N64-L66 PolarHBondContact O-N 2.78Å; L66-S68 PolarHBondContact O-N 3.14Å; L66-L69 HydrophobicContact CD2-CD1 3.97Å; L66-L69 PolarHBondContact O-N 3.06Å; L66-P137 HydrophobicContact CB-CG 4.13Å |
| 67 | S | 64.9 | Low | 77.5 | Confident | 95 Ų | 95 | 93.3 Ų | 93.3 | 66% | 0.664 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -68.3 | -10.1 | 176.6 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | D65 | D65-S67 PolarHBondContact O-N 3.47Å; D65-S67 VanDerWaalsContact O-N 3.08Å |
| 68 | S | 61.4 | Low | 77.9 | Confident | 39 Ų | 39 | 88.2 Ų | 88.2 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -89.5 | -14.8 | 179.7 | 74 | 0 | 0 | 0 | 0 | 113.5 | M61 D65 L66 | M61-S68 VanDerWaalsContact CE-CB 3.44Å; M61-S68 VanDerWaalsContact CE-O 3.28Å; M61-S68 WeakPolarHBondContact CE-O 3.31Å; D65-S68 VanDerWaalsContact O-CB 3.23Å; D65-S68 WeakPolarHBondContact O-CB 3.38Å; D65-S68 PolarHBondContact O-N 2.79Å; D65-S68 PolarHBondContact O-OG 3.14Å; L66-S68 PolarHBondContact O-N 3.14Å |
| 69 | L | 69.7 | Low | 78.2 | Confident | 102 Ų | 102 | 89.7 Ų | 89.7 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -75.5 | 151.2 | -178.4 | -65.8 | 167.6 | 0 | 0 | 0 | 111.6 | L66 P138 | L66-L69 HydrophobicContact CD2-CD1 3.97Å; L66-L69 PolarHBondContact O-N 3.06Å; L69-P138 HydrophobicContact CB-CB 3.99Å; L69-P138 HydrophobicContact CB-CG 3.92Å; L69-P138 HydrophobicContact CD1-CG 4.32Å |
| 70 | E | 77.9 | Confident | 78.4 | Confident | 179 Ų | 179 | 89.3 Ų | 89.3 | 84% | 0.836 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 141 | 171.4 | -68.1 | -175.7 | 167.5 | 0 | 0 | 110.1 | V72 P138 | E70-V72 PolarHBondContact O-N 3.38Å; E70-P138 WeakPolarHBondContact O-CB 3.22Å |
| 71 | S | 84.5 | Confident | 78.5 | Confident | 84 Ų | 84 | 88.6 Ų | 88.6 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 128 | -179.7 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | P138 | S71-P138 CarbonylContact C-O 3.52Å; S71-P138 VanDerWaalsContact CA-O 3.24Å; S71-P138 WeakPolarHBondContact CA-O 3.47Å |
| 72 | V | 90.3 | Very high | 79.1 | Confident | 73 Ų | 73 | 94.1 Ų | 94.1 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.4 | 177.2 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | E70 I74 P138 I140 | E70-V72 PolarHBondContact O-N 3.38Å; V72-I74 HydrophobicContact CG1-CG2 4.3Å; V72-P138 HydrophobicContact CG2-CG 4.24Å; V72-P138 PolarHBondContact N-O 3.32Å; V72-I140 PolarHBondContact O-N 3Å; V72-I140 VanDerWaalsContact O-O 3.11Å |
| 73 | D | 92.9 | Very high | 79.3 | Confident | 92 Ų | 92 | 97.1 Ų | 97.1 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 113.9 | 173.9 | -167 | -4.5 | 0 | 0 | 0 | 110.1 | G75 I140 F141 | D73-G75 PolarHBondContact OD1-N 2.99Å; D73-I140 CarbonylContact C-O 3.57Å; D73-I140 VanDerWaalsContact CA-O 3.22Å; D73-I140 WeakPolarHBondContact CA-O 3.47Å; D73-F141 WeakPolarHBondContact OD1-CA 3.39Å |
| 74 | I | 94.4 | Very high | 79.5 | Confident | 20 Ų | 20 | 95.9 Ų | 95.9 | 10% | 0.103 | 53% | 0.525 | C | S | . | . | trans | -99.2 | 5.5 | 178.1 | 61.7 | 170.5 | 0 | 0 | 0 | 112.4 | V72 F135 H139 I140 F141 Y305 P314 | V72-I74 HydrophobicContact CG1-CG2 4.3Å; I74-F135 HydrophobicContact CD1-CB 4.48Å; I74-F135 HydrophobicContact CD1-CD1 3.72Å; I74-F135 HydrophobicContact CD1-CD2 4.31Å; I74-F135 HydrophobicContact CD1-CE1 3.97Å; I74-F135 HydrophobicContact CD1-CG 3.9Å; I74-F135 HydrophobicContact CD1-CZ 4.38Å; I74-H139 HydrophobicContact CD1-CB 4.21Å; I74-H139 HydrophobicContact CG2-CB 4.32Å; I74-I140 WeakPolarHBondContact CG1-O 3.21Å; I74-I140 PolarHBondContact N-O 3.07Å; I74-F141 HydrophobicContact CG1-CB 4.02Å; I74-F141 HydrophobicContact CG1-CD1 4.44Å; I74-Y305 HydrophobicContact CB-CE1 4.27Å; I74-Y305 HydrophobicContact CD1-CD1 4.33Å; I74-Y305 HydrophobicContact CD1-CE1 3.81Å; I74-Y305 HydrophobicContact CG2-CE1 4.46Å; I74-P314 HydrophobicContact CD1-CG 4.11Å; I74-P314 HydrophobicContact CG1-CG 4Å; I74-P314 WeakPolarHBondContact O-CD 3.34Å; I74-P314 WeakPolarHBondContact O-CG 3.2Å | ||
| 75 | G | 94 | Very high | 79.7 | Confident | 17 Ų | 17 | 95.3 Ų | 95.3 | 18% | 0.175 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -89.3 | -176.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | D73 | D73-G75 PolarHBondContact OD1-N 2.99Š|
| 76 | L | 93.3 | Very high | 79.8 | Confident | 12 Ų | 12 | 99.6 Ų | 99.6 | 6% | 0.063 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 144.6 | 164.4 | -61.1 | -175.6 | 0 | 0 | 0 | 111 | Y78 V144 V145 R272 T313 A315 | L76-Y78 PolarHBondContact O-N 3.03Å; L76-Y78 VanDerWaalsContact O-N 3.14Å; L76-V144 HydrophobicContact CB-CG2 4.25Å; L76-V145 HydrophobicContact CD1-CG2 4.14Å; L76-R272 VanDerWaalsContact CD2-NH1 3.34Å; L76-R272 VanDerWaalsContact CD2-NH2 3.26Å; L76-T313 HydrophobicContact CD2-CG2 3.68Å; L76-T313 HydrophobicContact CG-CG2 4.31Å; L76-A315 HydrophobicContact CD1-CB 3.53Å; L76-A315 HydrophobicContact CG-CB 4.04Å |
| 77 | P | 92.5 | Very high | 80.3 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 76% | 0.76 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 121.3 | 178 | 25.1 | -33.9 | 0 | 0 | 0 | 110.6 | ||
| 78 | Y | 89.7 | Confident | 80.9 | Confident | 41 Ų | 41 | 106.4 Ų | 106.4 | 16% | 0.161 | 57% | 0.568 | C | S | . | * | P | Polyproline II helix | trans | -100.3 | 128.7 | 176.9 | 178.8 | -112.1 | 0 | 0 | 0 | 111.1 | L76 F80 P81 N115 P118 V119 V142 V144 | L76-Y78 PolarHBondContact O-N 3.03Å; L76-Y78 VanDerWaalsContact O-N 3.14Å; Y78-F80 HydrophobicContact CD1-CD1 4.36Å; Y78-F80 HydrophobicContact CD1-CE1 4.23Å; Y78-F80 HydrophobicContact CD1-CE2 4.42Å; Y78-F80 HydrophobicContact CD1-CZ 4.25Å; Y78-F80 AromaticContact CE1-CD1 3.64Å; Y78-F80 HydrophobicContact CE1-CD1 3.64Å; Y78-F80 AromaticContact CE1-CE1 3.71Å; Y78-F80 HydrophobicContact CE1-CE1 3.71Å; Y78-F80 HydrophobicContact CE1-CG 4.09Å; Y78-F80 HydrophobicContact CE1-CZ 4.2Å; Y78-P81 WeakPolarHBondContact OH-CD 3.48Å; Y78-N115 PolarHBondContact OH-O 2.95Å; Y78-N115 VanDerWaalsContact OH-O 3.06Å; Y78-P118 HydrophobicContact CD2-CB 4.32Å; Y78-P118 HydrophobicContact CE2-CB 3.88Å; Y78-P118 HydrophobicContact CE2-CG 3.88Å; Y78-V119 HydrophobicContact CE1-CG2 3.59Å; Y78-V142 HydrophobicContact CD1-CG1 4.13Å; Y78-V142 HydrophobicContact CD2-CG1 4.11Å; Y78-V142 HydrophobicContact CG-CB 4.4Å; Y78-V142 HydrophobicContact CG-CG1 3.81Å; Y78-V144 HydrophobicContact CD2-CG2 4.06Å; Y78-V144 HydrophobicContact CG-CG2 4.47Å |
| 79 | V | 86.9 | Confident | 82 | Confident | 124 Ų | 124 | 113.5 Ų | 113.5 | 75% | 0.752 | 59% | 0.589 | S | S | * | * | trans | -104.4 | 120.4 | 174.9 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 80 | F | 82.9 | Confident | 82.8 | Confident | 147 Ų | 147 | 114.6 Ų | 114.6 | 65% | 0.645 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 134.4 | 175.7 | -70.8 | -82.7 | 0 | 0 | 0 | 110.7 | Y78 K82 V119 | Y78-F80 HydrophobicContact CD1-CD1 4.36Å; Y78-F80 HydrophobicContact CD1-CE1 4.23Å; Y78-F80 HydrophobicContact CD1-CE2 4.42Å; Y78-F80 HydrophobicContact CD1-CZ 4.25Å; Y78-F80 AromaticContact CE1-CD1 3.64Å; Y78-F80 HydrophobicContact CE1-CD1 3.64Å; Y78-F80 AromaticContact CE1-CE1 3.71Å; Y78-F80 HydrophobicContact CE1-CE1 3.71Å; Y78-F80 HydrophobicContact CE1-CG 4.09Å; Y78-F80 HydrophobicContact CE1-CZ 4.2Å; F80-K82 PolarHBondContact O-N 3.39Å; F80-V119 HydrophobicContact CE1-CG2 4.04Å |
| 81 | P | 81.3 | Confident | 83.2 | Confident | 54 Ų | 54 | 112.6 Ų | 112.6 | 35% | 0.351 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 136.1 | 176.2 | 25.1 | -33.1 | 0 | 0 | 0 | 109.8 | Y78 N115 | Y78-P81 WeakPolarHBondContact OH-CD 3.48Å; P81-N115 HydrophobicContact CB-CB 3.72Å; P81-N115 HydrophobicContact CG-CB 3.77Å |
| 82 | K | 79.4 | Confident | 83.5 | Confident | 198 Ų | 198 | 111.7 Ų | 111.7 | 86% | 0.861 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 137.5 | 171.5 | -66 | 180 | -178.4 | 176.1 | 0 | 108.3 | F80 S84 | F80-K82 PolarHBondContact O-N 3.39Å; K82-S84 PolarHBondContact O-N 3.01Å |
| 83 | E | 72.5 | Confident | 83.5 | Confident | 198 Ų | 198 | 112.3 Ų | 112.3 | 93% | 0.925 | 58% | 0.576 | S | S | * | * | trans | -53.9 | 115.9 | 173.1 | -69 | -176.6 | 172.9 | 0 | 0 | 109.4 | ||||
| 84 | S | 67.7 | Low | 83.5 | Confident | 100 Ų | 100 | 111 Ų | 111 | 70% | 0.699 | 57% | 0.573 | S | S | * | * | trans | -80 | 129.4 | 176.1 | 58 | 0 | 0 | 0 | 0 | 109 | K82 I86 | K82-S84 PolarHBondContact O-N 3.01Å; S84-I86 PolarHBondContact O-N 2.95Å | ||
| 85 | T | 66.5 | Low | 83.4 | Confident | 138 Ų | 138 | 114.2 Ų | 114.2 | 85% | 0.847 | 59% | 0.587 | S | S | * | * | trans | -69.1 | 100.6 | 172.7 | 48.9 | 0 | 0 | 0 | 0 | 108.6 | L87 | T85-L87 PolarHBondContact O-N 3.36Å; T85-L87 VanDerWaalsContact O-N 3.12Å | ||
| 86 | I | 68.5 | Low | 83.3 | Confident | 154 Ų | 154 | 115.9 Ų | 115.9 | 79% | 0.79 | 60% | 0.599 | S | S | * | * | trans | -61.9 | 115.1 | 180 | -57.9 | 171.7 | 0 | 0 | 0 | 109 | S84 K88 | S84-I86 PolarHBondContact O-N 2.95Å; I86-K88 PolarHBondContact O-N 2.94Å | ||
| 87 | L | 74.5 | Confident | 83.3 | Confident | 154 Ų | 154 | 124.2 Ų | 124.2 | 81% | 0.806 | 63% | 0.63 | S | S | * | * | trans | -65.4 | 125.3 | 171.4 | -77.7 | 165.1 | 0 | 0 | 0 | 109.3 | T85 R89 | T85-L87 PolarHBondContact O-N 3.36Å; T85-L87 VanDerWaalsContact O-N 3.12Å; L87-R89 PolarHBondContact O-N 3Å | ||
| 88 | K | 78.8 | Confident | 83.5 | Confident | 192 Ų | 192 | 126.4 Ų | 126.4 | 84% | 0.835 | 63% | 0.627 | S | S | * | * | trans | -63.7 | 109.6 | 177.5 | -69.1 | -178.8 | 179.8 | 178.8 | 0 | 109.8 | I86 L90 | I86-K88 PolarHBondContact O-N 2.94Å; K88-L90 PolarHBondContact O-N 3.3Å | ||
| 89 | R | 83.5 | Confident | 83.6 | Confident | 188 Ų | 188 | 135.6 Ų | 135.6 | 71% | 0.709 | 66% | 0.662 | S | S | * | * | trans | -87.7 | 97.1 | 172.6 | -68.2 | -177.5 | -180 | 166.6 | 0.6 | 109.6 | L87 D91 L92 | L87-R89 PolarHBondContact O-N 3Å; R89-D91 PolarHBondContact O-N 3.46Å; R89-L92 HydrophobicContact CB-CD1 3.98Å; R89-L92 HydrophobicContact CB-CG 4.08Å; R89-L92 PolarHBondContact O-N 3.41Å | ||
| 90 | L | 86.7 | Confident | 84 | Confident | 125 Ų | 125 | 133.7 Ų | 133.7 | 65% | 0.654 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -60 | -29.5 | -179.3 | -65.6 | 173.3 | 0 | 0 | 0 | 112.4 | K88 L92 E93 P94 | K88-L90 PolarHBondContact O-N 3.3Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.27Å; L90-E93 WeakPolarHBondContact O-CB 3.44Å; L90-E93 PolarHBondContact O-N 2.91Å; L90-P94 VanDerWaalsContact O-CD 3.31Å; L90-P94 WeakPolarHBondContact O-CD 3.14Å |
| 91 | D | 87.3 | Confident | 84.4 | Confident | 136 Ų | 136 | 130 Ų | 130 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -67.3 | -27.3 | -177.6 | -49.1 | -32.2 | 0 | 0 | 0 | 113.3 | R89 P94 | R89-D91 PolarHBondContact O-N 3.46Å; D91-P94 WeakPolarHBondContact O-CD 3.32Å; D91-P94 WeakPolarHBondContact O-CG 3.49Å |
| 92 | L | 89.6 | Confident | 84.9 | Confident | 65 Ų | 65 | 135.9 Ų | 135.9 | 34% | 0.34 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -86.7 | -19.6 | -179.2 | -59 | -178.7 | 0 | 0 | 0 | 112.5 | R89 L90 Q95 A96 L101 | R89-L92 HydrophobicContact CB-CD1 3.98Å; R89-L92 HydrophobicContact CB-CG 4.08Å; R89-L92 PolarHBondContact O-N 3.41Å; L90-L92 VanDerWaalsContact C-N 3.27Å; L90-L92 PolarHBondContact O-N 3.27Å; L92-Q95 PolarHBondContact O-N 3.04Å; L92-A96 WeakPolarHBondContact O-CB 3.42Å; L92-A96 PolarHBondContact O-N 3.43Å; L92-L101 HydrophobicContact CB-CD1 4.27Å; L92-L101 HydrophobicContact CD2-CD1 3.98Å |
| 93 | E | 89.9 | Confident | 85.4 | Confident | 87 Ų | 87 | 130.7 Ų | 130.7 | 41% | 0.407 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -54.7 | -49.5 | 178.4 | -170.6 | -169.9 | -166.9 | 0 | 0 | 113.6 | L90 Q95 A96 R97 | L90-E93 WeakPolarHBondContact O-CB 3.44Å; L90-E93 PolarHBondContact O-N 2.91Å; E93-Q95 VanDerWaalsContact C-N 3.3Å; E93-Q95 PolarHBondContact O-N 3.34Å; E93-A96 PolarHBondContact O-N 3.43Å; E93-R97 HydrophobicContact CG-CG 4.37Å; E93-R97 WeakPolarHBondContact O-CG 3.23Å; E93-R97 PolarHBondContact O-N 3.12Å; E93-R97 IonicContact OE1-CZ 3.94Å; E93-R97 IonicContact OE1-NE 2.63Å; E93-R97 PolarHBondContact OE1-NE 2.6Å; E93-R97 VanDerWaalsContact OE1-NE 3.08Å; E93-R97 IonicContact OE1-NH2 3.6Å; E93-R97 PolarHBondContact OE1-NH2 3.08Å; E93-R97 IonicContact OE2-NH2 3.87Å |
| 94 | P | 92.9 | Very high | 86.2 | Confident | 65 Ų | 65 | 125 Ų | 125 | 42% | 0.422 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.4 | -35.3 | -179.5 | 23.5 | -34.3 | 0 | 0 | 0 | 112.7 | L90 D91 K98 | L90-P94 VanDerWaalsContact O-CD 3.31Å; L90-P94 WeakPolarHBondContact O-CD 3.14Å; D91-P94 WeakPolarHBondContact O-CD 3.32Å; D91-P94 WeakPolarHBondContact O-CG 3.49Å; P94-K98 WeakPolarHBondContact O-CB 3.36Å; P94-K98 WeakPolarHBondContact O-CG 3.39Å; P94-K98 PolarHBondContact O-N 2.91Å |
| 95 | Q | 93.7 | Very high | 87.3 | Confident | 87 Ų | 87 | 125.6 Ų | 125.6 | 41% | 0.407 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -69.5 | -41 | 176.2 | -63 | -177.5 | -0.5 | 0 | 0 | 111.2 | L92 E93 K98 R99 T100 L101 | L92-Q95 PolarHBondContact O-N 3.04Å; E93-Q95 VanDerWaalsContact C-N 3.3Å; E93-Q95 PolarHBondContact O-N 3.34Å; Q95-K98 CarbonylContact O-C 3.54Å; Q95-K98 PolarHBondContact O-N 2.95Å; Q95-R99 PolarHBondContact O-N 2.86Å; Q95-T100 PolarHBondContact O-N 3.5Å; Q95-T100 PolarHBondContact O-OG1 3.07Å; Q95-L101 HydrophobicContact CB-CB 4.16Å; Q95-L101 HydrophobicContact CB-CD1 4.15Å; Q95-L101 PolarHBondContact O-N 3.03Å |
| 96 | A | 92.2 | Very high | 88.4 | Confident | 51 Ų | 51 | 125.8 Ų | 125.8 | 42% | 0.421 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.3 | -45.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L92 E93 K98 R99 L101 | L92-A96 WeakPolarHBondContact O-CB 3.42Å; L92-A96 PolarHBondContact O-N 3.43Å; E93-A96 PolarHBondContact O-N 3.43Å; A96-K98 VanDerWaalsContact C-N 3.28Å; A96-K98 PolarHBondContact O-N 3.1Å; A96-R99 PolarHBondContact O-N 3.27Å; A96-L101 HydrophobicContact CB-CD2 4.37Å |
| 97 | R | 93.2 | Very high | 89.3 | Confident | 187 Ų | 187 | 121.4 Ų | 121.4 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.1 | -37.6 | 175.8 | -74.1 | -177 | -173.3 | -176.2 | 2 | 112.1 | E93 R99 | E93-R97 HydrophobicContact CG-CG 4.37Å; E93-R97 WeakPolarHBondContact O-CG 3.23Å; E93-R97 PolarHBondContact O-N 3.12Å; E93-R97 IonicContact OE1-CZ 3.94Å; E93-R97 IonicContact OE1-NE 2.63Å; E93-R97 PolarHBondContact OE1-NE 2.6Å; E93-R97 VanDerWaalsContact OE1-NE 3.08Å; E93-R97 IonicContact OE1-NH2 3.6Å; E93-R97 PolarHBondContact OE1-NH2 3.08Å; E93-R97 IonicContact OE2-NH2 3.87Å; R97-R99 VanDerWaalsContact C-N 3.3Å |
| 98 | K | 95.2 | Very high | 90 | Very high | 163 Ų | 163 | 117.2 Ų | 117.2 | 71% | 0.709 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -2.7 | 176.2 | -69 | 178.1 | -178.8 | -178.6 | 0 | 113.9 | P94 Q95 A96 T100 | P94-K98 WeakPolarHBondContact O-CB 3.36Å; P94-K98 WeakPolarHBondContact O-CG 3.39Å; P94-K98 PolarHBondContact O-N 2.91Å; Q95-K98 CarbonylContact O-C 3.54Å; Q95-K98 PolarHBondContact O-N 2.95Å; A96-K98 VanDerWaalsContact C-N 3.28Å; A96-K98 PolarHBondContact O-N 3.1Å; K98-T100 HydrophobicContact CB-CG2 4.11Å; K98-T100 PolarHBondContact O-N 3.29Å |
| 99 | R | 92.6 | Very high | 90.3 | Very high | 234 Ų | 234 | 113.6 Ų | 113.6 | 88% | 0.883 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.1 | 31.4 | -174 | -56.5 | -179.5 | 178.2 | 171.3 | -1.2 | 113.7 | Q95 A96 R97 | Q95-R99 PolarHBondContact O-N 2.86Å; A96-R99 PolarHBondContact O-N 3.27Å; R97-R99 VanDerWaalsContact C-N 3.3Å |
| 100 | T | 95 | Very high | 90.4 | Very high | 85 Ų | 85 | 105.9 Ų | 105.9 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | trans | -103.6 | -1 | 177 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | Q95 K98 Q102 | Q95-T100 PolarHBondContact O-N 3.5Å; Q95-T100 PolarHBondContact O-OG1 3.07Å; K98-T100 HydrophobicContact CB-CG2 4.11Å; K98-T100 PolarHBondContact O-N 3.29Å; T100-Q102 PolarHBondContact O-N 3.47Å | ||
| 101 | L | 91.6 | Very high | 90.1 | Very high | 70 Ų | 70 | 103.2 Ų | 103.2 | 37% | 0.366 | 52% | 0.524 | S | S | . | . | trans | -67.2 | 121.5 | -179.9 | -174.1 | 73 | 0 | 0 | 0 | 109.9 | L92 Q95 A96 | L92-L101 HydrophobicContact CB-CD1 4.27Å; L92-L101 HydrophobicContact CD2-CD1 3.98Å; Q95-L101 HydrophobicContact CB-CB 4.16Å; Q95-L101 HydrophobicContact CB-CD1 4.15Å; Q95-L101 PolarHBondContact O-N 3.03Å; A96-L101 HydrophobicContact CB-CD2 4.37Å | ||
| 102 | Q | 91.7 | Very high | 89.8 | Confident | 177 Ų | 177 | 101.3 Ų | 101.3 | 83% | 0.827 | 52% | 0.522 | S | S | * | . | trans | -103 | 139.4 | 171.7 | -65.7 | -177 | -8.7 | 0 | 0 | 109 | T100 | T100-Q102 PolarHBondContact O-N 3.47Š| ||
| 103 | V | 88.9 | Confident | 89.6 | Confident | 89 Ų | 89 | 103.5 Ų | 103.5 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | trans | -112 | 122.4 | 175.7 | -166.1 | 0 | 0 | 0 | 0 | 107.6 | L105 I108 | V103-L105 PolarHBondContact O-N 2.95Å; V103-I108 HydrophobicContact CB-CD1 4.08Å; V103-I108 HydrophobicContact CG1-CD1 3.32Å; V103-I108 HydrophobicContact CG1-CG1 3.85Å | ||
| 104 | P | 90.8 | Very high | 89.4 | Confident | 77 Ų | 77 | 100.6 Ų | 100.6 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | trans | -66.7 | 116.4 | 178.3 | 26.2 | -32.1 | 0 | 0 | 0 | 109.7 | V107 I108 | P104-V107 HydrophobicContact CB-CB 4.22Å; P104-V107 HydrophobicContact CB-CG2 3.9Å; P104-V107 HydrophobicContact CG-CB 3.98Å; P104-V107 HydrophobicContact CG-CG2 3.9Å; P104-V107 PolarHBondContact O-N 3.34Å; P104-I108 WeakPolarHBondContact O-CG1 3.28Å; P104-I108 PolarHBondContact O-N 2.97Å | ||
| 105 | L | 90.6 | Very high | 89.1 | Confident | 114 Ų | 114 | 102.2 Ų | 102.2 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.8 | -38.5 | -175.4 | -65.5 | 176.3 | 0 | 0 | 0 | 112.3 | V103 V107 I108 H109 | V103-L105 PolarHBondContact O-N 2.95Å; L105-V107 PolarHBondContact O-N 3.2Å; L105-I108 HydrophobicContact CD2-CD1 4.16Å; L105-I108 PolarHBondContact O-N 2.87Å; L105-H109 PolarHBondContact O-CD2 3.02Å; L105-H109 PolarHBondContact O-N 2.93Å |
| 106 | D | 88.8 | Confident | 88.9 | Confident | 142 Ų | 142 | 104.1 Ų | 104.1 | 76% | 0.759 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -33.9 | -178.3 | -50.6 | -26.1 | 0 | 0 | 0 | 111.9 | S110 | D106-S110 PolarHBondContact O-N 3.41Å; D106-S110 VanDerWaalsContact O-N 3.13Å |
| 107 | V | 88.6 | Confident | 88.8 | Confident | 61 Ų | 61 | 102.8 Ų | 102.8 | 37% | 0.37 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.3 | -45.7 | 179.3 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | P104 L105 H109 S110 E113 | P104-V107 HydrophobicContact CB-CB 4.22Å; P104-V107 HydrophobicContact CB-CG2 3.9Å; P104-V107 HydrophobicContact CG-CB 3.98Å; P104-V107 HydrophobicContact CG-CG2 3.9Å; P104-V107 PolarHBondContact O-N 3.34Å; L105-V107 PolarHBondContact O-N 3.2Å; V107-H109 VanDerWaalsContact C-N 3.28Å; V107-H109 PolarHBondContact O-N 3Å; V107-S110 VanDerWaalsContact O-CB 3.31Å; V107-S110 WeakPolarHBondContact O-CB 3.29Å; V107-S110 PolarHBondContact O-N 3.02Å; V107-S110 VanDerWaalsContact O-N 3.13Å; V107-S110 PolarHBondContact O-OG 3.08Å; V107-E113 WeakPolarHBondContact CG1-OE1 3.41Å; V107-E113 WeakPolarHBondContact CG1-OE2 3.36Å |
| 108 | I | 88.1 | Confident | 88.9 | Confident | 67 Ų | 67 | 94.5 Ų | 94.5 | 34% | 0.344 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.8 | -41 | 176.7 | -61.6 | 163.8 | 0 | 0 | 0 | 111.5 | V103 P104 L105 S110 D114 | V103-I108 HydrophobicContact CB-CD1 4.08Å; V103-I108 HydrophobicContact CG1-CD1 3.32Å; V103-I108 HydrophobicContact CG1-CG1 3.85Å; P104-I108 WeakPolarHBondContact O-CG1 3.28Å; P104-I108 PolarHBondContact O-N 2.97Å; L105-I108 HydrophobicContact CD2-CD1 4.16Å; L105-I108 PolarHBondContact O-N 2.87Å; I108-S110 VanDerWaalsContact C-N 3.31Å; I108-D114 WeakPolarHBondContact O-CB 3.47Å |
| 109 | H | 85.4 | Confident | 88.8 | Confident | 115 Ų | 115 | 88.8 Ų | 88.8 | 53% | 0.532 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.8 | -177.7 | -69.1 | -46.6 | 0 | 0 | 0 | 113.8 | L105 V107 D114 | L105-H109 PolarHBondContact O-CD2 3.02Å; L105-H109 PolarHBondContact O-N 2.93Å; V107-H109 VanDerWaalsContact C-N 3.28Å; V107-H109 PolarHBondContact O-N 3Å; H109-D114 IonicContact ND1-OD2 2.93Å |
| 110 | S | 86.3 | Confident | 88.8 | Confident | 26 Ų | 26 | 83 Ų | 83 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -63.8 | 138.8 | 175.2 | 72.8 | 0 | 0 | 0 | 0 | 110.1 | D106 V107 I108 S112 E113 D114 | D106-S110 PolarHBondContact O-N 3.41Å; D106-S110 VanDerWaalsContact O-N 3.13Å; V107-S110 VanDerWaalsContact O-CB 3.31Å; V107-S110 WeakPolarHBondContact O-CB 3.29Å; V107-S110 PolarHBondContact O-N 3.02Å; V107-S110 VanDerWaalsContact O-N 3.13Å; V107-S110 PolarHBondContact O-OG 3.08Å; I108-S110 VanDerWaalsContact C-N 3.31Å; S110-S112 PolarHBondContact O-N 2.9Å; S110-S112 PolarHBondContact OG-OG 2.9Å; S110-E113 PolarHBondContact O-N 2.97Å; S110-E113 WeakPolarHBondContact OG-CG 3.24Å; S110-E113 PolarHBondContact OG-N 2.81Å; S110-D114 WeakPolarHBondContact O-CB 3.36Å; S110-D114 PolarHBondContact O-N 3.36Å |
| 111 | P | 80.5 | Confident | 88.8 | Confident | 69 Ų | 69 | 80.2 Ų | 80.2 | 45% | 0.448 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.5 | -178.5 | 22.4 | -32.4 | 0 | 0 | 0 | 113.1 | N146 | P111-N146 HydrophobicContact CB-CB 4.36Š|
| 112 | S | 81.3 | Confident | 88.9 | Confident | 97 Ų | 97 | 78 Ų | 78 | 68% | 0.678 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -31.8 | 176.5 | 30.9 | 0 | 0 | 0 | 0 | 114.3 | S110 | S110-S112 PolarHBondContact O-N 2.9Å; S110-S112 PolarHBondContact OG-OG 2.9Å |
| 113 | E | 83.5 | Confident | 89.1 | Confident | 111 Ų | 111 | 73.7 Ų | 73.7 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -30.9 | 178.7 | -66.9 | -163.1 | 176.1 | 0 | 0 | 112.4 | V107 S110 N115 | V107-E113 WeakPolarHBondContact CG1-OE1 3.41Å; V107-E113 WeakPolarHBondContact CG1-OE2 3.36Å; S110-E113 PolarHBondContact O-N 2.97Å; S110-E113 WeakPolarHBondContact OG-CG 3.24Å; S110-E113 PolarHBondContact OG-N 2.81Å; E113-N115 PolarHBondContact O-N 2.7Å; E113-N115 PolarHBondContact O-ND2 3Å |
| 114 | D | 87.4 | Confident | 89.4 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 14% | 0.139 | 39% | 0.387 | C | S | . | . | trans | -85.1 | 68.9 | -171.1 | -159.2 | -12 | 0 | 0 | 0 | 113.7 | I108 H109 S110 E116 A117 R120 | I108-D114 WeakPolarHBondContact O-CB 3.47Å; H109-D114 IonicContact ND1-OD2 2.93Å; S110-D114 WeakPolarHBondContact O-CB 3.36Å; S110-D114 PolarHBondContact O-N 3.36Å; D114-E116 PolarHBondContact O-N 2.88Å; D114-E116 VanDerWaalsContact O-N 3.14Å; D114-A117 HydrophobicContact CB-CB 4.22Å; D114-A117 VanDerWaalsContact O-CB 3.3Å; D114-A117 WeakPolarHBondContact O-CB 3.42Å; D114-A117 PolarHBondContact O-N 3.49Å; D114-A117 VanDerWaalsContact O-N 3.13Å; D114-A117 PolarHBondContact OD1-N 3.22Å; D114-R120 IonicContact OD1-CZ 2.56Å; D114-R120 IonicContact OD1-NH2 2.78Å; D114-R120 PolarHBondContact OD1-NH2 2.85Å; D114-R120 IonicContact OD2-CZ 2.77Å; D114-R120 IonicContact OD2-NH2 3.12Å; D114-R120 PolarHBondContact OD2-NH2 3.4Å | ||
| 115 | N | 86.2 | Confident | 89.7 | Confident | 99 Ų | 99 | 68.1 Ų | 68.1 | 53% | 0.529 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.8 | -175.2 | -61.9 | -59.5 | 0 | 0 | 0 | 114.6 | Y78 P81 E113 | Y78-N115 PolarHBondContact OH-O 2.95Å; Y78-N115 VanDerWaalsContact OH-O 3.06Å; P81-N115 HydrophobicContact CB-CB 3.72Å; P81-N115 HydrophobicContact CG-CB 3.77Å; E113-N115 PolarHBondContact O-N 2.7Å; E113-N115 PolarHBondContact O-ND2 3Å |
| 116 | E | 88.8 | Confident | 89.8 | Confident | 127 Ų | 127 | 66.8 Ų | 66.8 | 59% | 0.593 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -4.6 | -179.3 | -65.6 | -175.2 | 175.9 | 0 | 0 | 113.1 | D114 P118 V119 R120 | D114-E116 PolarHBondContact O-N 2.88Å; D114-E116 VanDerWaalsContact O-N 3.14Å; E116-P118 VanDerWaalsContact C-CD 3.44Å; E116-V119 PolarHBondContact O-N 2.97Å; E116-V119 VanDerWaalsContact O-N 3.17Å; E116-R120 PolarHBondContact O-N 3.37Å; E116-R120 VanDerWaalsContact O-N 3.09Å |
| 117 | A | 91.2 | Very high | 90.1 | Very high | 23 Ų | 23 | 67.4 Ų | 67.4 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -53.5 | -41.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | D114 V119 R120 R121 | D114-A117 HydrophobicContact CB-CB 4.22Å; D114-A117 VanDerWaalsContact O-CB 3.3Å; D114-A117 WeakPolarHBondContact O-CB 3.42Å; D114-A117 PolarHBondContact O-N 3.49Å; D114-A117 VanDerWaalsContact O-N 3.13Å; D114-A117 PolarHBondContact OD1-N 3.22Å; A117-V119 PolarHBondContact O-N 3.33Å; A117-R120 PolarHBondContact O-N 2.93Å; A117-R121 WeakPolarHBondContact O-CG 3.42Å; A117-R121 PolarHBondContact O-N 3.28Å |
| 118 | P | 93.5 | Very high | 90.4 | Very high | 13 Ų | 13 | 67.9 Ų | 67.9 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 177.4 | -26 | 37.3 | 0 | 0 | 0 | 113.3 | Y78 E116 R121 L122 V142 P143 | Y78-P118 HydrophobicContact CD2-CB 4.32Å; Y78-P118 HydrophobicContact CE2-CB 3.88Å; Y78-P118 HydrophobicContact CE2-CG 3.88Å; E116-P118 VanDerWaalsContact C-CD 3.44Å; P118-R121 PolarHBondContact O-N 3.21Å; P118-L122 PolarHBondContact O-N 3.42Å; P118-V142 HydrophobicContact CB-CG1 3.7Å; P118-P143 WeakPolarHBondContact CB-O 3.44Å |
| 119 | V | 93.2 | Very high | 90.7 | Very high | 43 Ų | 43 | 65.7 Ų | 65.7 | 26% | 0.261 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 179.5 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | Y78 F80 E116 A117 L122 N123 | Y78-V119 HydrophobicContact CE1-CG2 3.59Å; F80-V119 HydrophobicContact CE1-CG2 4.04Å; E116-V119 PolarHBondContact O-N 2.97Å; E116-V119 VanDerWaalsContact O-N 3.17Å; A117-V119 PolarHBondContact O-N 3.33Å; V119-L122 PolarHBondContact O-N 3.44Å; V119-N123 VanDerWaalsContact O-CG 3.29Å; V119-N123 PolarHBondContact O-N 3.17Å; V119-N123 PolarHBondContact O-ND2 3.34Å |
| 120 | R | 93.6 | Very high | 91.1 | Very high | 111 Ų | 111 | 60.2 Ų | 60.2 | 42% | 0.419 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175 | -73.8 | -170.6 | -75.9 | 128.8 | -7.1 | 111.9 | D114 E116 A117 L122 N123 V124 | D114-R120 IonicContact OD1-CZ 2.56Å; D114-R120 IonicContact OD1-NH2 2.78Å; D114-R120 PolarHBondContact OD1-NH2 2.85Å; D114-R120 IonicContact OD2-CZ 2.77Å; D114-R120 IonicContact OD2-NH2 3.12Å; D114-R120 PolarHBondContact OD2-NH2 3.4Å; E116-R120 PolarHBondContact O-N 3.37Å; E116-R120 VanDerWaalsContact O-N 3.09Å; A117-R120 PolarHBondContact O-N 2.93Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 2.94Å; R120-N123 PolarHBondContact O-N 3.16Å; R120-V124 WeakPolarHBondContact O-CB 3.4Å; R120-V124 VanDerWaalsContact O-CG2 3.24Å; R120-V124 WeakPolarHBondContact O-CG2 3.39Å; R120-V124 PolarHBondContact O-N 3.09Å |
| 121 | R | 94.2 | Very high | 91.5 | Very high | 27 Ų | 27 | 59 Ų | 59 | 10% | 0.102 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | 174.6 | -75.6 | -171.4 | -73.2 | 166.5 | -4.3 | 112 | A117 P118 V124 A125 P143 V145 | A117-R121 WeakPolarHBondContact O-CG 3.42Å; A117-R121 PolarHBondContact O-N 3.28Å; P118-R121 PolarHBondContact O-N 3.21Å; R121-V124 PolarHBondContact O-N 3.45Å; R121-A125 VanDerWaalsContact O-CB 3.32Å; R121-A125 WeakPolarHBondContact O-CB 3.31Å; R121-A125 PolarHBondContact O-N 2.57Å; R121-P143 HydrophobicContact CB-CG 3.5Å; R121-P143 VanDerWaalsContact CB-CG 3.5Å; R121-P143 VanDerWaalsContact CZ-O 3.25Å; R121-P143 PolarHBondContact NH2-O 2.83Å; R121-V145 PolarHBondContact NH1-O 2.88Å; R121-V145 PolarHBondContact NH2-O 3.37Å |
| 122 | L | 94.6 | Very high | 91.9 | Very high | 25 Ų | 25 | 60.6 Ų | 60.6 | 13% | 0.131 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59 | -49.7 | 173.3 | 174 | 153.4 | 0 | 0 | 0 | 111.7 | P118 V119 R120 V124 A125 Q126 I140 V142 | P118-L122 PolarHBondContact O-N 3.42Å; V119-L122 PolarHBondContact O-N 3.44Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 2.94Å; L122-V124 VanDerWaalsContact C-N 3.3Å; L122-V124 PolarHBondContact O-N 3.13Å; L122-A125 PolarHBondContact O-N 2.63Å; L122-Q126 HydrophobicContact CD2-CG 4.29Å; L122-Q126 WeakPolarHBondContact O-CG 3.3Å; L122-Q126 PolarHBondContact O-N 2.99Å; L122-I140 HydrophobicContact CD1-CG2 4.06Å; L122-I140 HydrophobicContact CG-CG2 4.4Å; L122-V142 HydrophobicContact CD1-CB 4.39Å; L122-V142 HydrophobicContact CD1-CG2 3.68Å |
| 123 | N | 95.4 | Very high | 92.3 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 46% | 0.46 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | -179.2 | -70.4 | -21.7 | 0 | 0 | 0 | 111.7 | V119 R120 Q126 H127 | V119-N123 VanDerWaalsContact O-CG 3.29Å; V119-N123 PolarHBondContact O-N 3.17Å; V119-N123 PolarHBondContact O-ND2 3.34Å; R120-N123 PolarHBondContact O-N 3.16Å; N123-Q126 PolarHBondContact O-N 3.03Å; N123-H127 WeakPolarHBondContact O-CB 3.32Å; N123-H127 PolarHBondContact O-N 3.13Å |
| 124 | V | 96.3 | Very high | 92.7 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 29% | 0.291 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 176 | 170.4 | 0 | 0 | 0 | 0 | 110.1 | R120 R121 L122 Q126 H127 Y128 F319 | R120-V124 WeakPolarHBondContact O-CB 3.4Å; R120-V124 VanDerWaalsContact O-CG2 3.24Å; R120-V124 WeakPolarHBondContact O-CG2 3.39Å; R120-V124 PolarHBondContact O-N 3.09Å; R121-V124 PolarHBondContact O-N 3.45Å; L122-V124 VanDerWaalsContact C-N 3.3Å; L122-V124 PolarHBondContact O-N 3.13Å; V124-Q126 VanDerWaalsContact C-N 3.31Å; V124-Q126 PolarHBondContact O-N 3.3Å; V124-H127 WeakPolarHBondContact O-CB 3.36Å; V124-H127 PolarHBondContact O-N 3.34Å; V124-H127 VanDerWaalsContact O-N 3.09Å; V124-Y128 HydrophobicContact CG1-CD2 3.86Å; V124-Y128 HydrophobicContact CG1-CE2 3.87Å; V124-Y128 VanDerWaalsContact O-CD2 3.29Å; V124-Y128 WeakPolarHBondContact O-CD2 3.49Å; V124-Y128 PolarHBondContact O-N 3.01Å; V124-F319 HydrophobicContact CG1-CE1 3.93Å; V124-F319 HydrophobicContact CG1-CZ 3.66Å |
| 125 | A | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R121 L122 G129 I130 F131 L317 | R121-A125 VanDerWaalsContact O-CB 3.32Å; R121-A125 WeakPolarHBondContact O-CB 3.31Å; R121-A125 PolarHBondContact O-N 2.57Å; L122-A125 PolarHBondContact O-N 2.63Å; A125-G129 PolarHBondContact O-N 2.75Å; A125-G129 VanDerWaalsContact O-N 3.16Å; A125-I130 HydrophobicContact CB-CB 4.38Å; A125-I130 HydrophobicContact CB-CD1 4.25Å; A125-I130 PolarHBondContact O-N 3.14Å; A125-F131 HydrophobicContact CB-CD2 4.24Å; A125-F131 HydrophobicContact CB-CE2 3.48Å; A125-F131 VanDerWaalsContact CB-CE2 3.48Å; A125-F131 HydrophobicContact CB-CZ 3.65Å; A125-L317 HydrophobicContact CB-CD2 3.37Å |
| 126 | Q | 93.5 | Very high | 92.9 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 41% | 0.407 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 171.9 | -74.4 | -179.7 | -8.4 | 0 | 0 | 112 | L122 N123 V124 Y128 G129 F131 | L122-Q126 HydrophobicContact CD2-CG 4.29Å; L122-Q126 WeakPolarHBondContact O-CG 3.3Å; L122-Q126 PolarHBondContact O-N 2.99Å; N123-Q126 PolarHBondContact O-N 3.03Å; V124-Q126 VanDerWaalsContact C-N 3.31Å; V124-Q126 PolarHBondContact O-N 3.3Å; Q126-Y128 VanDerWaalsContact C-N 3.32Å; Q126-Y128 PolarHBondContact O-N 3.13Å; Q126-G129 PolarHBondContact O-N 3.29Å; Q126-F131 HydrophobicContact CG-CD2 3.84Å; Q126-F131 HydrophobicContact CG-CE2 3.88Å |
| 127 | H | 95.1 | Very high | 92.6 | Very high | 154 Ų | 154 | 43.4 Ų | 43.4 | 71% | 0.713 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.8 | -42.6 | 177.8 | 174.6 | -88.3 | 0 | 0 | 0 | 111.9 | N123 V124 G129 | N123-H127 WeakPolarHBondContact O-CB 3.32Å; N123-H127 PolarHBondContact O-N 3.13Å; V124-H127 WeakPolarHBondContact O-CB 3.36Å; V124-H127 PolarHBondContact O-N 3.34Å; V124-H127 VanDerWaalsContact O-N 3.09Å; H127-G129 PolarHBondContact O-N 3.33Å |
| 128 | Y | 95 | Very high | 92.2 | Very high | 71 Ų | 71 | 43.1 Ų | 43.1 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -4 | 175.8 | -77 | -84.4 | 0 | 0 | 0 | 113.5 | V124 Q126 I130 R265 F319 Q321 | V124-Y128 HydrophobicContact CG1-CD2 3.86Å; V124-Y128 HydrophobicContact CG1-CE2 3.87Å; V124-Y128 VanDerWaalsContact O-CD2 3.29Å; V124-Y128 WeakPolarHBondContact O-CD2 3.49Å; V124-Y128 PolarHBondContact O-N 3.01Å; Q126-Y128 VanDerWaalsContact C-N 3.32Å; Q126-Y128 PolarHBondContact O-N 3.13Å; Y128-I130 VanDerWaalsContact C-N 3.3Å; Y128-I130 PolarHBondContact O-N 3.18Å; Y128-R265 PolarHBondContact O-NH1 3.42Å; Y128-F319 HydrophobicContact CD1-CE2 4.1Å; Y128-F319 AromaticContact CD2-CE2 3.64Å; Y128-F319 HydrophobicContact CD2-CE2 3.64Å; Y128-F319 AromaticContact CD2-CZ 3.37Å; Y128-F319 HydrophobicContact CD2-CZ 3.37Å; Y128-F319 HydrophobicContact CE1-CE2 4.37Å; Y128-F319 AromaticContact CE2-CE2 3.95Å; Y128-F319 HydrophobicContact CE2-CE2 3.95Å; Y128-F319 AromaticContact CE2-CZ 3.78Å; Y128-F319 HydrophobicContact CE2-CZ 3.78Å; Y128-F319 AromaticContact CG-CE2 3.7Å; Y128-F319 HydrophobicContact CG-CE2 3.7Å; Y128-F319 AromaticContact CG-CZ 3.84Å; Y128-F319 HydrophobicContact CG-CZ 3.84Å; Y128-Q321 VanDerWaalsContact CE1-NE2 3.3Å |
| 129 | G | 93.1 | Very high | 92.1 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 22% | 0.216 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 26.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A125 Q126 H127 S133 | A125-G129 PolarHBondContact O-N 2.75Å; A125-G129 VanDerWaalsContact O-N 3.16Å; Q126-G129 PolarHBondContact O-N 3.29Å; H127-G129 PolarHBondContact O-N 3.33Å; G129-S133 PolarHBondContact O-N 3.2Å; G129-S133 PolarHBondContact O-OG 3.33Å |
| 130 | I | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -48.3 | -176.3 | -71.2 | 176.7 | 0 | 0 | 0 | 111.5 | A125 Y128 N132 S133 L134 I267 L317 F319 | A125-I130 HydrophobicContact CB-CB 4.38Å; A125-I130 HydrophobicContact CB-CD1 4.25Å; A125-I130 PolarHBondContact O-N 3.14Å; Y128-I130 VanDerWaalsContact C-N 3.3Å; Y128-I130 PolarHBondContact O-N 3.18Å; I130-N132 VanDerWaalsContact C-N 3.29Å; I130-N132 PolarHBondContact O-N 3.22Å; I130-S133 PolarHBondContact O-N 3.02Å; I130-S133 PolarHBondContact O-OG 2.86Å; I130-L134 HydrophobicContact CG2-CD1 3.59Å; I130-L134 HydrophobicContact CG2-CG 4.29Å; I130-L134 WeakPolarHBondContact O-CG 3.31Å; I130-L134 PolarHBondContact O-N 3.41Å; I130-I267 HydrophobicContact CB-CD1 4.36Å; I130-I267 HydrophobicContact CD1-CD1 4.36Å; I130-I267 HydrophobicContact CD1-CG1 4.37Å; I130-I267 HydrophobicContact CG1-CD1 3.92Å; I130-I267 HydrophobicContact CG1-CG1 4.45Å; I130-I267 HydrophobicContact CG2-CD1 3.91Å; I130-I267 HydrophobicContact CG2-CG2 4.18Å; I130-L317 HydrophobicContact CD1-CD2 4.42Å; I130-L317 HydrophobicContact CG2-CD1 4.26Å; I130-L317 HydrophobicContact CG2-CD2 4.34Å; I130-F319 HydrophobicContact CD1-CB 4.25Å; I130-F319 HydrophobicContact CD1-CD1 3.32Å; I130-F319 HydrophobicContact CD1-CD2 3.79Å; I130-F319 HydrophobicContact CD1-CE1 3.45Å; I130-F319 VanDerWaalsContact CD1-CE1 3.45Å; I130-F319 HydrophobicContact CD1-CE2 3.89Å; I130-F319 HydrophobicContact CD1-CG 3.51Å; I130-F319 HydrophobicContact CD1-CZ 3.74Å |
| 131 | F | 93.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | -177.7 | -60.5 | -59.8 | 0 | 0 | 0 | 112.2 | A125 Q126 S133 L134 F135 G136 H139 I140 F141 L317 | A125-F131 HydrophobicContact CB-CD2 4.24Å; A125-F131 HydrophobicContact CB-CE2 3.48Å; A125-F131 VanDerWaalsContact CB-CE2 3.48Å; A125-F131 HydrophobicContact CB-CZ 3.65Å; Q126-F131 HydrophobicContact CG-CD2 3.84Å; Q126-F131 HydrophobicContact CG-CE2 3.88Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.46Å; F131-L134 PolarHBondContact O-N 2.9Å; F131-F135 HydrophobicContact CD1-CD2 4.37Å; F131-F135 PolarHBondContact O-N 3.02Å; F131-G136 PolarHBondContact O-N 2.98Å; F131-H139 WeakPolarHBondContact CB-O 3.44Å; F131-I140 HydrophobicContact CD2-CG2 3.96Å; F131-I140 HydrophobicContact CE2-CG2 3.86Å; F131-I140 HydrophobicContact CG-CG2 4.37Å; F131-I140 HydrophobicContact CZ-CG2 4.18Å; F131-F141 HydrophobicContact CD1-CD1 4.08Å; F131-F141 HydrophobicContact CD1-CE1 4.18Å; F131-F141 AromaticContact CE1-CD1 3.55Å; F131-F141 HydrophobicContact CE1-CD1 3.55Å; F131-F141 AromaticContact CE1-CE1 3.61Å; F131-F141 HydrophobicContact CE1-CE1 3.61Å; F131-F141 HydrophobicContact CE1-CG 4.19Å; F131-F141 HydrophobicContact CE1-CZ 4.27Å; F131-F141 WeakPolarHBondContact CZ-O 3.23Å; F131-L317 HydrophobicContact CZ-CD2 4.4Å |
| 132 | N | 90.1 | Very high | 92.3 | Very high | 101 Ų | 101 | 39.4 Ų | 39.4 | 54% | 0.54 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65 | -35.4 | 178.4 | -66.2 | -15.5 | 0 | 0 | 0 | 112.3 | I130 G136 | I130-N132 VanDerWaalsContact C-N 3.29Å; I130-N132 PolarHBondContact O-N 3.22Å; N132-G136 WeakPolarHBondContact O-CA 3.43Å; N132-G136 PolarHBondContact O-N 3.38Å |
| 133 | S | 90 | Very high | 92.3 | Very high | 34 Ų | 34 | 38.2 Ų | 38.2 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -77.8 | -37.9 | 179.1 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | G129 I130 F131 | G129-S133 PolarHBondContact O-N 3.2Å; G129-S133 PolarHBondContact O-OG 3.33Å; I130-S133 PolarHBondContact O-N 3.02Å; I130-S133 PolarHBondContact O-OG 2.86Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.46Å |
| 134 | L | 92.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -87.2 | -51.5 | -173.5 | -61.4 | 178.2 | 0 | 0 | 0 | 112.9 | I130 F131 P212 E226 I267 I269 T301 L302 | I130-L134 HydrophobicContact CG2-CD1 3.59Å; I130-L134 HydrophobicContact CG2-CG 4.29Å; I130-L134 WeakPolarHBondContact O-CG 3.31Å; I130-L134 PolarHBondContact O-N 3.41Å; F131-L134 PolarHBondContact O-N 2.9Å; L134-P212 HydrophobicContact CD2-CB 4.46Å; L134-E226 WeakPolarHBondContact CD2-OE2 3.15Å; L134-I267 HydrophobicContact CD1-CD1 4.05Å; L134-I267 HydrophobicContact CD1-CG2 3.95Å; L134-I267 HydrophobicContact CD2-CD1 4.22Å; L134-I267 HydrophobicContact CG-CD1 4.28Å; L134-I269 HydrophobicContact CD1-CD1 3.62Å; L134-I269 HydrophobicContact CD1-CG1 4.25Å; L134-T301 WeakPolarHBondContact CA-OG1 3.4Å; L134-T301 HydrophobicContact CD2-CG2 4.3Å; L134-T301 PolarHBondContact O-OG1 3.06Å; L134-L302 WeakPolarHBondContact O-CB 3.46Å; L134-L302 PolarHBondContact O-N 3.5Å |
| 135 | F | 91.2 | Very high | 92 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -13.8 | -174.2 | -55.9 | -77.1 | 0 | 0 | 0 | 112.6 | I74 F131 H139 F141 I269 L302 Y305 | I74-F135 HydrophobicContact CD1-CB 4.48Å; I74-F135 HydrophobicContact CD1-CD1 3.72Å; I74-F135 HydrophobicContact CD1-CD2 4.31Å; I74-F135 HydrophobicContact CD1-CE1 3.97Å; I74-F135 HydrophobicContact CD1-CG 3.9Å; I74-F135 HydrophobicContact CD1-CZ 4.38Å; F131-F135 HydrophobicContact CD1-CD2 4.37Å; F131-F135 PolarHBondContact O-N 3.02Å; F135-H139 HydrophobicContact CB-CB 3.74Å; F135-H139 PolarHBondContact O-CD2 3.01Å; F135-H139 VanDerWaalsContact O-CD2 3.32Å; F135-F141 HydrophobicContact CE2-CD1 4.13Å; F135-F141 AromaticContact CE2-CE1 3.72Å; F135-F141 HydrophobicContact CE2-CE1 3.72Å; F135-F141 HydrophobicContact CZ-CE1 4.09Å; F135-I269 HydrophobicContact CZ-CD1 4.11Å; F135-L302 WeakPolarHBondContact O-CD1 2.95Å; F135-Y305 HydrophobicContact CD1-CD1 4.2Å; F135-Y305 HydrophobicContact CD1-CG 4.42Å; F135-Y305 HydrophobicContact CE1-CD1 4.31Å; F135-Y305 HydrophobicContact CE1-CG 4.14Å |
| 136 | G | 85.6 | Confident | 91.7 | Very high | 14 Ų | 14 | 37 Ų | 37 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | trans | 75.6 | 153.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F131 N132 H139 | F131-G136 PolarHBondContact O-N 2.98Å; N132-G136 WeakPolarHBondContact O-CA 3.43Å; N132-G136 PolarHBondContact O-N 3.38Å; G136-H139 PolarHBondContact O-N 2.88Å; G136-H139 VanDerWaalsContact O-N 3.08Å | ||
| 137 | P | 82.3 | Confident | 91.6 | Very high | 43 Ų | 43 | 33.2 Ų | 33.2 | 28% | 0.279 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 135.5 | 170.6 | 26.3 | -30.8 | 0 | 0 | 0 | 109.5 | L66 | L66-P137 HydrophobicContact CB-CG 4.13Š|
| 138 | P | 83.4 | Confident | 91.5 | Very high | 18 Ų | 18 | 29.7 Ų | 29.7 | 12% | 0.117 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -108.8 | 22.8 | 16.1 | 42.1 | -37 | 0 | 0 | 0 | 115.3 | L69 E70 S71 V72 | L69-P138 HydrophobicContact CB-CB 3.99Å; L69-P138 HydrophobicContact CB-CG 3.92Å; L69-P138 HydrophobicContact CD1-CG 4.32Å; E70-P138 WeakPolarHBondContact O-CB 3.22Å; S71-P138 CarbonylContact C-O 3.52Å; S71-P138 VanDerWaalsContact CA-O 3.24Å; S71-P138 WeakPolarHBondContact CA-O 3.47Å; V72-P138 HydrophobicContact CG2-CG 4.24Å; V72-P138 PolarHBondContact N-O 3.32Å |
| 139 | H | 91.9 | Very high | 91.4 | Very high | 67 Ų | 67 | 26.4 Ų | 26.4 | 31% | 0.31 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 132.9 | -168.9 | -55.1 | -62.3 | 0 | 0 | 0 | 112.8 | I74 F131 F135 G136 | I74-H139 HydrophobicContact CD1-CB 4.21Å; I74-H139 HydrophobicContact CG2-CB 4.32Å; F131-H139 WeakPolarHBondContact CB-O 3.44Å; F135-H139 HydrophobicContact CB-CB 3.74Å; F135-H139 PolarHBondContact O-CD2 3.01Å; F135-H139 VanDerWaalsContact O-CD2 3.32Å; G136-H139 PolarHBondContact O-N 2.88Å; G136-H139 VanDerWaalsContact O-N 3.08Å |
| 140 | I | 94 | Very high | 91.4 | Very high | 32 Ų | 32 | 28.1 Ų | 28.1 | 16% | 0.164 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155.3 | 179.8 | -55.2 | -176.6 | 0 | 0 | 0 | 107.6 | V72 D73 I74 L122 F131 | V72-I140 PolarHBondContact O-N 3Å; V72-I140 VanDerWaalsContact O-O 3.11Å; D73-I140 CarbonylContact C-O 3.57Å; D73-I140 VanDerWaalsContact CA-O 3.22Å; D73-I140 WeakPolarHBondContact CA-O 3.47Å; I74-I140 WeakPolarHBondContact CG1-O 3.21Å; I74-I140 PolarHBondContact N-O 3.07Å; L122-I140 HydrophobicContact CD1-CG2 4.06Å; L122-I140 HydrophobicContact CG-CG2 4.4Å; F131-I140 HydrophobicContact CD2-CG2 3.96Å; F131-I140 HydrophobicContact CE2-CG2 3.86Å; F131-I140 HydrophobicContact CG-CG2 4.37Å; F131-I140 HydrophobicContact CZ-CG2 4.18Å |
| 141 | F | 95.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | trans | -141.4 | 154.2 | 164.4 | 71.1 | -88.4 | 0 | 0 | 0 | 112.3 | D73 I74 F131 F135 P143 I269 P314 L317 | D73-F141 WeakPolarHBondContact OD1-CA 3.39Å; I74-F141 HydrophobicContact CG1-CB 4.02Å; I74-F141 HydrophobicContact CG1-CD1 4.44Å; F131-F141 HydrophobicContact CD1-CD1 4.08Å; F131-F141 HydrophobicContact CD1-CE1 4.18Å; F131-F141 AromaticContact CE1-CD1 3.55Å; F131-F141 HydrophobicContact CE1-CD1 3.55Å; F131-F141 AromaticContact CE1-CE1 3.61Å; F131-F141 HydrophobicContact CE1-CE1 3.61Å; F131-F141 HydrophobicContact CE1-CG 4.19Å; F131-F141 HydrophobicContact CE1-CZ 4.27Å; F131-F141 WeakPolarHBondContact CZ-O 3.23Å; F135-F141 HydrophobicContact CE2-CD1 4.13Å; F135-F141 AromaticContact CE2-CE1 3.72Å; F135-F141 HydrophobicContact CE2-CE1 3.72Å; F135-F141 HydrophobicContact CZ-CE1 4.09Å; F141-P143 HydrophobicContact CE2-CB 4.07Å; F141-P143 WeakPolarHBondContact O-CD 3.22Å; F141-I269 HydrophobicContact CZ-CG2 4.45Å; F141-P314 HydrophobicContact CB-CG 4.34Å; F141-P314 HydrophobicContact CD1-CB 3.89Å; F141-P314 HydrophobicContact CD1-CG 4Å; F141-P314 HydrophobicContact CD2-CB 4.07Å; F141-P314 HydrophobicContact CD2-CG 4.47Å; F141-P314 HydrophobicContact CE1-CB 3.83Å; F141-P314 HydrophobicContact CE1-CG 4.42Å; F141-P314 HydrophobicContact CE2-CB 4.03Å; F141-P314 HydrophobicContact CG-CB 4.02Å; F141-P314 HydrophobicContact CG-CG 4.04Å; F141-P314 HydrophobicContact CZ-CB 3.92Å; F141-L317 HydrophobicContact CE2-CB 4.32Å; F141-L317 HydrophobicContact CZ-CB 4.07Å; F141-L317 HydrophobicContact CZ-CD1 4.34Å | ||
| 142 | V | 95.3 | Very high | 91.1 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | trans | -85 | 118.5 | 170.7 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | Y78 P118 L122 V144 | Y78-V142 HydrophobicContact CD1-CG1 4.13Å; Y78-V142 HydrophobicContact CD2-CG1 4.11Å; Y78-V142 HydrophobicContact CG-CB 4.4Å; Y78-V142 HydrophobicContact CG-CG1 3.81Å; P118-V142 HydrophobicContact CB-CG1 3.7Å; L122-V142 HydrophobicContact CD1-CB 4.39Å; L122-V142 HydrophobicContact CD1-CG2 3.68Å; V142-V144 VanDerWaalsContact C-N 3.31Å; V142-V144 HydrophobicContact CB-CG2 4.38Å; V142-V144 HydrophobicContact CG1-CG2 4.25Å; V142-V144 WeakPolarHBondContact O-CG2 3.34Å; V142-V144 PolarHBondContact O-N 2.88Å | ||
| 143 | P | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -74.5 | 87.8 | 175.3 | 30 | -32.6 | 0 | 0 | 0 | 109.2 | P118 R121 F141 A315 L317 | P118-P143 WeakPolarHBondContact CB-O 3.44Å; R121-P143 HydrophobicContact CB-CG 3.5Å; R121-P143 VanDerWaalsContact CB-CG 3.5Å; R121-P143 VanDerWaalsContact CZ-O 3.25Å; R121-P143 PolarHBondContact NH2-O 2.83Å; F141-P143 HydrophobicContact CE2-CB 4.07Å; F141-P143 WeakPolarHBondContact O-CD 3.22Å; P143-A315 CarbonylContact C-O 3.59Å; P143-A315 WeakPolarHBondContact CA-O 3.23Å; P143-L317 HydrophobicContact CB-CB 3.82Å; P143-L317 HydrophobicContact CG-CB 4.35Å | ||
| 144 | V | 93 | Very high | 89.4 | Confident | 50 Ų | 50 | 33.4 Ų | 33.4 | 30% | 0.303 | 18% | 0.18 | S | C | . | . | trans | -72.7 | -44.4 | -178.1 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | L76 Y78 V142 A315 | L76-V144 HydrophobicContact CB-CG2 4.25Å; Y78-V144 HydrophobicContact CD2-CG2 4.06Å; Y78-V144 HydrophobicContact CG-CG2 4.47Å; V142-V144 VanDerWaalsContact C-N 3.31Å; V142-V144 HydrophobicContact CB-CG2 4.38Å; V142-V144 HydrophobicContact CG1-CG2 4.25Å; V142-V144 WeakPolarHBondContact O-CG2 3.34Å; V142-V144 PolarHBondContact O-N 2.88Å; V144-A315 PolarHBondContact N-O 2.75Å | ||
| 145 | V | 92 | Very high | 87.9 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -79 | 128.7 | -175.9 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | L76 R121 A199 W205 L270 A315 | L76-V145 HydrophobicContact CD1-CG2 4.14Å; R121-V145 PolarHBondContact NH1-O 2.88Å; R121-V145 PolarHBondContact NH2-O 3.37Å; V145-A199 HydrophobicContact CG1-CB 3.77Å; V145-W205 HydrophobicContact CG1-CH2 4.41Å; V145-W205 HydrophobicContact CG2-CH2 3.89Å; V145-W205 HydrophobicContact CG2-CZ3 4.12Å; V145-L270 HydrophobicContact CG1-CD2 4.04Å; V145-A315 HydrophobicContact CB-CB 4.26Å; V145-A315 HydrophobicContact CG2-CB 3.88Å; V145-A315 PolarHBondContact N-O 3.28Å |
| 146 | N | 90.1 | Very high | 86.2 | Confident | 47 Ų | 47 | 43.2 Ų | 43.2 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | trans | -90 | 137 | 169.7 | -163.7 | 26 | 0 | 0 | 0 | 109.6 | P111 A198 | P111-N146 HydrophobicContact CB-CB 4.36Å; N146-A198 HydrophobicContact CB-CB 4.45Å | ||
| 147 | F | 91.3 | Very high | 84.4 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | trans | -145.3 | 140 | 171.5 | 68.2 | -72.2 | 0 | 0 | 0 | 107.7 | I149 I194 L196 L207 F268 L270 A318 | F147-I149 HydrophobicContact CD2-CD1 4.16Å; F147-I149 HydrophobicContact CD2-CG1 3.84Å; F147-I149 HydrophobicContact CE2-CD1 3.51Å; F147-I149 HydrophobicContact CE2-CG1 3.73Å; F147-I149 HydrophobicContact CZ-CD1 4.26Å; F147-I194 HydrophobicContact CD2-CG2 4.33Å; F147-L196 HydrophobicContact CB-CD2 3.74Å; F147-L196 HydrophobicContact CG-CD2 4.46Å; F147-L207 HydrophobicContact CE2-CD1 3.7Å; F147-L207 HydrophobicContact CZ-CD1 4.26Å; F147-F268 HydrophobicContact CE2-CB 4.16Å; F147-F268 HydrophobicContact CZ-CB 4.01Å; F147-L270 HydrophobicContact CB-CD2 4.23Å; F147-L270 HydrophobicContact CD1-CB 4.06Å; F147-L270 HydrophobicContact CD1-CD2 3.95Å; F147-L270 HydrophobicContact CE1-CB 3.77Å; F147-L270 HydrophobicContact CE2-CB 4.45Å; F147-L270 HydrophobicContact CG-CD2 4.06Å; F147-L270 HydrophobicContact CZ-CB 3.99Å; F147-A318 HydrophobicContact CE1-CB 4.19Å; F147-A318 HydrophobicContact CE2-CB 4.29Å; F147-A318 HydrophobicContact CZ-CB 3.79Å | ||
| 148 | E | 91.2 | Very high | 82.5 | Confident | 80 Ų | 80 | 53.6 Ų | 53.6 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138.2 | -175.9 | -56.8 | 164.7 | 164.7 | 0 | 0 | 108.3 | N195 | E148-N195 HydrophobicContact CB-CB 4.14Å; E148-N195 PolarHBondContact N-O 2.91Å; E148-N195 VanDerWaalsContact N-O 3.13Å; E148-N195 PolarHBondContact O-N 3.05Å; E148-N195 PolarHBondContact OE2-ND2 2.95Å |
| 149 | I | 93.5 | Very high | 80.6 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.5 | 177.8 | -53.1 | 171 | 0 | 0 | 0 | 106.8 | F147 P176 V177 P192 F193 F268 A318 | F147-I149 HydrophobicContact CD2-CD1 4.16Å; F147-I149 HydrophobicContact CD2-CG1 3.84Å; F147-I149 HydrophobicContact CE2-CD1 3.51Å; F147-I149 HydrophobicContact CE2-CG1 3.73Å; F147-I149 HydrophobicContact CZ-CD1 4.26Å; I149-P176 CarbonylContact O-C 3.46Å; I149-P176 WeakPolarHBondContact O-CA 3.3Å; I149-V177 HydrophobicContact CB-CB 3.91Å; I149-V177 HydrophobicContact CB-CG2 3.89Å; I149-V177 HydrophobicContact CG2-CB 4.33Å; I149-V177 HydrophobicContact CG2-CG2 3.73Å; I149-V177 PolarHBondContact O-N 3.32Å; I149-P192 HydrophobicContact CG2-CB 3.4Å; I149-P192 HydrophobicContact CG2-CG 3.59Å; I149-F193 WeakPolarHBondContact CA-O 3.19Å; I149-F268 HydrophobicContact CD1-CB 3.57Å; I149-F268 HydrophobicContact CD1-CD1 3.78Å; I149-F268 HydrophobicContact CD1-CD2 3.24Å; I149-F268 HydrophobicContact CD1-CE1 4.21Å; I149-F268 HydrophobicContact CD1-CE2 3.7Å; I149-F268 HydrophobicContact CD1-CG 3.26Å; I149-F268 HydrophobicContact CD1-CZ 4.18Å; I149-F268 HydrophobicContact CG2-CE2 4.29Å; I149-F268 HydrophobicContact CG2-CZ 4.27Å; I149-A318 HydrophobicContact CD1-CB 3.92Å |
| 150 | E | 93.4 | Very high | 78.6 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 120.5 | -169.7 | -79.1 | -177.3 | -179.8 | 0 | 0 | 109.9 | V174 P192 F193 | E150-V174 HydrophobicContact CB-CG1 3.46Å; E150-V174 VanDerWaalsContact CB-CG1 3.46Å; E150-V174 HydrophobicContact CG-CG1 3.66Å; E150-P192 CarbonylContact O-C 3.59Å; E150-P192 WeakPolarHBondContact O-CA 3.24Å; E150-P192 WeakPolarHBondContact O-CB 3.16Å; E150-F193 HydrophobicContact CB-CB 4.31Å; E150-F193 HydrophobicContact CB-CD1 4.47Å; E150-F193 PolarHBondContact N-O 2.69Å; E150-F193 PolarHBondContact O-N 2.83Å |
| 151 | Y | 92.9 | Very high | 76.2 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 129.9 | 171.4 | -76.6 | -78.7 | 0 | 0 | 0 | 110.2 | K153 Q175 V177 I183 A188 N190 P192 Y252 F320 | Y151-K153 PolarHBondContact O-N 3.34Å; Y151-Q175 PolarHBondContact N-O 3.15Å; Y151-Q175 PolarHBondContact O-N 2.9Å; Y151-V177 HydrophobicContact CD2-CG2 3.77Å; Y151-V177 HydrophobicContact CE2-CG2 3.69Å; Y151-I183 HydrophobicContact CD2-CD1 4.04Å; Y151-I183 HydrophobicContact CD2-CG2 4.4Å; Y151-I183 HydrophobicContact CE2-CD1 4.3Å; Y151-A188 HydrophobicContact CD1-CB 4.09Å; Y151-A188 HydrophobicContact CE1-CB 3.68Å; Y151-A188 HydrophobicContact CE2-CB 4.27Å; Y151-N190 WeakPolarHBondContact CE1-O 3.45Å; Y151-P192 HydrophobicContact CD1-CB 3.77Å; Y151-P192 HydrophobicContact CD2-CB 4.2Å; Y151-P192 HydrophobicContact CE1-CB 3.63Å; Y151-P192 HydrophobicContact CE1-CG 3.88Å; Y151-P192 HydrophobicContact CE2-CB 4.06Å; Y151-P192 HydrophobicContact CE2-CG 4.39Å; Y151-P192 HydrophobicContact CG-CB 4.07Å; Y151-Y252 WeakPolarHBondContact CE1-OH 3.28Å; Y151-Y252 PolarHBondContact OH-OH 3.47Å; Y151-F320 AromaticContact CE2-CE1 3.95Å; Y151-F320 HydrophobicContact CE2-CE1 3.95Å; Y151-F320 HydrophobicContact CE2-CZ 4.2Å |
| 152 | L | 88.7 | Confident | 73.9 | Confident | 106 Ų | 106 | 75.1 Ų | 75.1 | 56% | 0.555 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 120.5 | 172 | -64.9 | 170.1 | 0 | 0 | 0 | 108.4 | P154 V174 | L152-P154 WeakPolarHBondContact O-CD 3.48Å; L152-V174 HydrophobicContact CD2-CG2 4.19Å |
| 153 | K | 78.7 | Confident | 71.4 | Confident | 74 Ų | 74 | 84.5 Ų | 84.5 | 32% | 0.322 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 122.9 | 171.6 | -165 | -178.1 | 174.4 | -163.5 | 0 | 107.8 | Y151 D155 D156 Y173 I187 | Y151-K153 PolarHBondContact O-N 3.34Å; K153-D155 PolarHBondContact O-N 2.95Å; K153-D156 WeakPolarHBondContact CE-OD2 3.47Å; K153-D156 IonicContact NZ-OD1 3.68Å; K153-D156 IonicContact NZ-OD2 3.58Å; K153-D156 PolarHBondContact NZ-OD2 2.96Å; K153-Y173 WeakPolarHBondContact CB-O 3.34Å; K153-Y173 PolarHBondContact N-O 2.94Å; K153-I187 HydrophobicContact CG-CG1 4.38Å |
| 154 | P | 66.7 | Low | 68.7 | Low | 67 Ų | 67 | 87.8 Ų | 87.8 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 131.4 | 168.3 | 25.2 | -30 | 0 | 0 | 0 | 107.6 | L152 D156 | L152-P154 WeakPolarHBondContact O-CD 3.48Å; P154-D156 PolarHBondContact O-N 2.85Å; P154-D156 VanDerWaalsContact O-N 3.07Å |
| 155 | D | 60.5 | Low | 66.3 | Low | 113 Ų | 113 | 95.3 Ų | 95.3 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -50.4 | 120.2 | 177.7 | -67.5 | -36.3 | 0 | 0 | 0 | 108 | K153 E157 | K153-D155 PolarHBondContact O-N 2.95Å; D155-E157 PolarHBondContact O-N 3.05Å |
| 156 | D | 55.2 | Low | 63.5 | Low | 101 Ų | 101 | 100 Ų | 100 | 54% | 0.54 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 134 | 166.6 | -65.3 | -45.2 | 0 | 0 | 0 | 105.8 | K153 P154 | K153-D156 WeakPolarHBondContact CE-OD2 3.47Å; K153-D156 IonicContact NZ-OD1 3.68Å; K153-D156 IonicContact NZ-OD2 3.58Å; K153-D156 PolarHBondContact NZ-OD2 2.96Å; P154-D156 PolarHBondContact O-N 2.85Å; P154-D156 VanDerWaalsContact O-N 3.07Å |
| 157 | E | 48.6 | Very low | 60.9 | Low | 171 Ų | 171 | 105.2 Ų | 105.2 | 80% | 0.799 | 57% | 0.57 | S | S | * | * | trans | -38.5 | 127.8 | 170.8 | -75.7 | -75.3 | 151.3 | 0 | 0 | 108.5 | D155 D159 | D155-E157 PolarHBondContact O-N 3.05Å; E157-D159 PolarHBondContact O-N 3.09Å | ||
| 158 | P | 42.2 | Very low | 58.6 | Low | 104 Ų | 104 | 114 Ų | 114 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | trans | -53.8 | 116 | -171 | 22.7 | -32.9 | 0 | 0 | 0 | 108.1 | I160 | P158-I160 PolarHBondContact O-N 3.23Š| ||
| 159 | D | 42.8 | Very low | 56.5 | Low | 143 Ų | 143 | 121.4 Ų | 121.4 | 77% | 0.765 | 64% | 0.636 | S | S | * | * | trans | -46.7 | 118.4 | 172.5 | -78.9 | -38.2 | 0 | 0 | 0 | 106.9 | E157 S161 | E157-D159 PolarHBondContact O-N 3.09Å; D159-S161 PolarHBondContact O-N 2.87Å | ||
| 160 | I | 49.7 | Very low | 54.3 | Low | 184 Ų | 184 | 126.2 Ų | 126.2 | 94% | 0.944 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 53.2 | -175.5 | -58.4 | 163.8 | 0 | 0 | 0 | 109.8 | P158 | P158-I160 PolarHBondContact O-N 3.23Š|
| 161 | S | 44.9 | Very low | 52.3 | Low | 90 Ų | 90 | 128.1 Ų | 128.1 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.2 | 3.8 | -172.2 | 64.5 | 0 | 0 | 0 | 0 | 116.1 | D159 | D159-S161 PolarHBondContact O-N 2.87Š|
| 162 | D | 45.4 | Very low | 51.2 | Low | 154 Ų | 154 | 132.5 Ų | 132.5 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | trans | -135.8 | 79.9 | 168.8 | -85.5 | -33.9 | 0 | 0 | 0 | 112.5 | G164 | D162-G164 PolarHBondContact O-N 3.39Š| ||
| 163 | E | 42.5 | Very low | 50.8 | Low | 211 Ų | 211 | 135 Ų | 135 | 99% | 0.986 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 97.3 | 157 | -69.5 | -169.5 | 170.1 | 0 | 0 | 109 | ||
| 164 | G | 40.4 | Very low | 51.3 | Low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.3 | 25.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | D162 | D162-G164 PolarHBondContact O-N 3.39Š|
| 165 | K | 42.2 | Very low | 52.5 | Low | 208 Ų | 208 | 134.4 Ų | 134.4 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | trans | -132.1 | 111.4 | 161.4 | -82 | -172.5 | 179 | 175.7 | 0 | 113.2 | ||||
| 166 | C | 31.9 | Very low | 54 | Low | 112 Ų | 112 | 130.9 Ų | 130.9 | 76% | 0.757 | 70% | 0.695 | S | S | * | * | trans | -74.7 | 133.7 | 175.1 | -46.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 167 | N | 36.5 | Very low | 56 | Low | 156 Ų | 156 | 126.6 Ų | 126.6 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | trans | 65.2 | 72.3 | 150.4 | -51.3 | -14.9 | 0 | 0 | 0 | 118.1 | ||||
| 168 | E | 43.1 | Very low | 58 | Low | 191 Ų | 191 | 124.8 Ų | 124.8 | 89% | 0.893 | 66% | 0.662 | S | S | * | * | trans | -127.1 | 134.9 | 152.7 | -70.8 | -178.5 | 172.5 | 0 | 0 | 108.4 | S170 | E168-S170 PolarHBondContact O-N 3.41Š| ||
| 169 | R | 46.3 | Very low | 60.4 | Low | 237 Ų | 237 | 121.7 Ų | 121.7 | 89% | 0.894 | 64% | 0.643 | S | S | * | * | trans | -37 | 127.7 | -168.9 | -71 | 166.8 | 178.2 | 157.5 | -1.4 | 112.2 | T171 | R169-T171 PolarHBondContact O-N 2.95Š| ||
| 170 | S | 47.2 | Very low | 62.8 | Low | 101 Ų | 101 | 115.4 Ų | 115.4 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | trans | -44.3 | 100.9 | 167.4 | -49.5 | 0 | 0 | 0 | 0 | 109 | E168 T172 | E168-S170 PolarHBondContact O-N 3.41Å; S170-T172 VanDerWaalsContact C-N 3.31Å; S170-T172 PolarHBondContact O-N 3.28Å | ||
| 171 | T | 52.5 | Low | 65 | Low | 97 Ų | 97 | 108.2 Ų | 108.2 | 60% | 0.595 | 58% | 0.575 | S | S | * | * | trans | -75.2 | 91.5 | 179.1 | 42 | 0 | 0 | 0 | 0 | 106.4 | R169 Y173 | R169-T171 PolarHBondContact O-N 2.95Å; T171-Y173 WeakPolarHBondContact O-CD2 3.4Å; T171-Y173 PolarHBondContact O-N 3.48Å | ||
| 172 | T | 69.1 | Low | 67.5 | Low | 93 Ų | 93 | 108.6 Ų | 108.6 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | trans | -59.9 | 107.5 | 172.4 | 32.7 | 0 | 0 | 0 | 0 | 108.1 | S170 V174 | S170-T172 VanDerWaalsContact C-N 3.31Å; S170-T172 PolarHBondContact O-N 3.28Å; T172-V174 PolarHBondContact O-N 2.91Å | ||
| 173 | Y | 80.8 | Confident | 69.8 | Low | 160 Ų | 160 | 101.4 Ų | 101.4 | 63% | 0.627 | 53% | 0.531 | S | S | * | . | trans | -71.3 | 122.1 | 174.9 | -77.6 | -84.4 | 0 | 0 | 0 | 108.7 | K153 T171 | K153-Y173 WeakPolarHBondContact CB-O 3.34Å; K153-Y173 PolarHBondContact N-O 2.94Å; T171-Y173 WeakPolarHBondContact O-CD2 3.4Å; T171-Y173 PolarHBondContact O-N 3.48Å | ||
| 174 | V | 88.5 | Confident | 72.2 | Confident | 60 Ų | 60 | 93 Ų | 93 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.4 | 178.1 | -172.4 | 0 | 0 | 0 | 0 | 108.5 | E150 L152 T172 P176 | E150-V174 HydrophobicContact CB-CG1 3.46Å; E150-V174 VanDerWaalsContact CB-CG1 3.46Å; E150-V174 HydrophobicContact CG-CG1 3.66Å; L152-V174 HydrophobicContact CD2-CG2 4.19Å; T172-V174 PolarHBondContact O-N 2.91Å; V174-P176 WeakPolarHBondContact O-CD 3.32Å |
| 175 | Q | 91.7 | Very high | 74.8 | Confident | 68 Ų | 68 | 89.8 Ų | 89.8 | 32% | 0.318 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 102.5 | 175.6 | -175 | 61.4 | 55.3 | 0 | 0 | 109.2 | Y151 I183 I187 | Y151-Q175 PolarHBondContact N-O 3.15Å; Y151-Q175 PolarHBondContact O-N 2.9Å; Q175-I183 HydrophobicContact CG-CD1 4.41Å; Q175-I183 HydrophobicContact CG-CG1 4.25Å; Q175-I183 HydrophobicContact CG-CG2 4.45Å; Q175-I187 HydrophobicContact CB-CG2 4.04Å; Q175-I187 HydrophobicContact CG-CG2 4.46Å |
| 176 | P | 93.8 | Very high | 77.2 | Confident | 39 Ų | 39 | 83.5 Ų | 83.5 | 25% | 0.253 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 147.9 | 177.4 | 28.8 | -34.6 | 0 | 0 | 0 | 111.5 | I149 V174 F178 N181 | I149-P176 CarbonylContact O-C 3.46Å; I149-P176 WeakPolarHBondContact O-CA 3.3Å; V174-P176 WeakPolarHBondContact O-CD 3.32Å; P176-F178 HydrophobicContact CB-CE1 4.45Å; P176-F178 HydrophobicContact CB-CE2 4.09Å; P176-F178 HydrophobicContact CB-CZ 3.96Å; P176-F178 HydrophobicContact CG-CD2 4.45Å; P176-F178 HydrophobicContact CG-CE2 3.59Å; P176-F178 HydrophobicContact CG-CZ 3.69Å; P176-N181 PolarHBondContact O-ND2 2.71Å |
| 177 | V | 95.3 | Very high | 80 | Confident | 10 Ų | 10 | 79.4 Ų | 79.4 | 6% | 0.061 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 123.9 | 169.7 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | I149 Y151 I183 F268 A318 F320 | I149-V177 HydrophobicContact CB-CB 3.91Å; I149-V177 HydrophobicContact CB-CG2 3.89Å; I149-V177 HydrophobicContact CG2-CB 4.33Å; I149-V177 HydrophobicContact CG2-CG2 3.73Å; I149-V177 PolarHBondContact O-N 3.32Å; Y151-V177 HydrophobicContact CD2-CG2 3.77Å; Y151-V177 HydrophobicContact CE2-CG2 3.69Å; V177-I183 HydrophobicContact CB-CD1 4.33Å; V177-I183 HydrophobicContact CG2-CD1 3.6Å; V177-F268 HydrophobicContact CG1-CD2 4.49Å; V177-F268 HydrophobicContact CG1-CE2 4.47Å; V177-A318 HydrophobicContact CG1-CB 4.44Å; V177-F320 HydrophobicContact CG1-CB 4.13Å; V177-F320 HydrophobicContact CG1-CD1 3.98Å; V177-F320 HydrophobicContact CG2-CD1 4.23Å |
| 178 | F | 92.5 | Very high | 82.8 | Confident | 133 Ų | 133 | 72 Ų | 72 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | trans | -107.8 | -134.8 | 174.8 | -65.1 | -65.8 | 0 | 0 | 0 | 109.7 | P176 N181 F319 | P176-F178 HydrophobicContact CB-CE1 4.45Å; P176-F178 HydrophobicContact CB-CE2 4.09Å; P176-F178 HydrophobicContact CB-CZ 3.96Å; P176-F178 HydrophobicContact CG-CD2 4.45Å; P176-F178 HydrophobicContact CG-CE2 3.59Å; P176-F178 HydrophobicContact CG-CZ 3.69Å; F178-N181 HydrophobicContact CB-CB 4.48Å; F178-N181 PolarHBondContact N-OD1 3.32Å; F178-F319 CarbonylContact C-O 3.53Å; F178-F319 PolarHBondContact O-N 3.22Å | ||
| 179 | S | 92.3 | Very high | 85.1 | Confident | 40 Ų | 40 | 65.7 Ų | 65.7 | 28% | 0.28 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 88.7 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | ||
| 180 | G | 93.4 | Very high | 87.2 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 92 | 15.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | F319 | G180-F319 PolarHBondContact N-O 3.34Å |
| 181 | N | 95.3 | Very high | 89.3 | Confident | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.171 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 159.4 | 172.3 | 65.7 | -45 | 0 | 0 | 0 | 111.6 | P176 F178 F320 Q321 | P176-N181 PolarHBondContact O-ND2 2.71Å; F178-N181 HydrophobicContact CB-CB 4.48Å; F178-N181 PolarHBondContact N-OD1 3.32Å; N181-F320 CarbonylContact O-C 3.53Å; N181-F320 WeakPolarHBondContact O-CA 3.15Å; N181-F320 WeakPolarHBondContact O-CB 3.32Å; N181-Q321 PolarHBondContact O-N 2.99Å |
| 182 | L | 96.2 | Very high | 91.3 | Very high | 99 Ų | 99 | 53.8 Ų | 53.8 | 52% | 0.518 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126.6 | -179.4 | -169.6 | 145.2 | 0 | 0 | 0 | 110.8 | Y263 Q321 V323 | L182-Y263 HydrophobicContact CD1-CD1 3.99Å; L182-Y263 HydrophobicContact CD1-CE1 3.48Å; L182-Y263 VanDerWaalsContact CD1-CE1 3.48Å; L182-Q321 CarbonylContact C-O 3.56Å; L182-Q321 WeakPolarHBondContact CA-O 3.3Å; L182-V323 HydrophobicContact CD1-CG2 4.21Å |
| 183 | I | 95 | Very high | 92.3 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | trans | -128.8 | 128.1 | 176.2 | -55.5 | -179.8 | 0 | 0 | 0 | 107.8 | Y151 Q175 V177 I187 A188 F320 Q321 S322 | Y151-I183 HydrophobicContact CD2-CD1 4.04Å; Y151-I183 HydrophobicContact CD2-CG2 4.4Å; Y151-I183 HydrophobicContact CE2-CD1 4.3Å; Q175-I183 HydrophobicContact CG-CD1 4.41Å; Q175-I183 HydrophobicContact CG-CG1 4.25Å; Q175-I183 HydrophobicContact CG-CG2 4.45Å; V177-I183 HydrophobicContact CB-CD1 4.33Å; V177-I183 HydrophobicContact CG2-CD1 3.6Å; I183-I187 HydrophobicContact CG2-CB 4.22Å; I183-I187 HydrophobicContact CG2-CG2 4.25Å; I183-A188 HydrophobicContact CG2-CB 4.33Å; I183-F320 HydrophobicContact CB-CD2 3.63Å; I183-F320 HydrophobicContact CB-CE2 4.04Å; I183-F320 HydrophobicContact CB-CG 4.25Å; I183-F320 HydrophobicContact CD1-CB 3.76Å; I183-F320 HydrophobicContact CD1-CD1 4.19Å; I183-F320 HydrophobicContact CD1-CD2 4.03Å; I183-F320 HydrophobicContact CD1-CG 3.75Å; I183-F320 HydrophobicContact CG1-CB 4Å; I183-F320 HydrophobicContact CG1-CD2 4.03Å; I183-F320 HydrophobicContact CG1-CG 4.14Å; I183-Q321 PolarHBondContact N-O 2.97Å; I183-S322 WeakPolarHBondContact O-CA 3.32Å; I183-S322 WeakPolarHBondContact O-CB 3.45Å | ||
| 184 | S | 93.4 | Very high | 92.8 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | trans | -72.1 | 147.8 | 178 | 59.5 | 0 | 0 | 0 | 0 | 111 | N186 I187 A188 | S184-N186 PolarHBondContact O-N 3.01Å; S184-I187 PolarHBondContact O-N 3.24Å; S184-I187 VanDerWaalsContact O-N 3.14Å; S184-I187 VanDerWaalsContact OG-CD1 3.3Å; S184-I187 WeakPolarHBondContact OG-CD1 3.46Å; S184-I187 VanDerWaalsContact OG-CG1 3.32Å; S184-I187 WeakPolarHBondContact OG-CG1 3.48Å; S184-A188 PolarHBondContact O-N 3.48Å | ||
| 185 | A | 93.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -31.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | A188 M189 P255 D325 V328 | A185-A188 CarbonylContact O-C 3.6Å; A185-A188 PolarHBondContact O-N 3.24Å; A185-M189 WeakPolarHBondContact O-CG 3.45Å; A185-M189 PolarHBondContact O-N 3.4Å; A185-P255 HydrophobicContact CB-CG 4.25Å; A185-D325 HydrophobicContact CB-CB 4.48Å; A185-V328 HydrophobicContact CB-CG2 3.53Å |
| 186 | N | 92.3 | Very high | 92.6 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 41% | 0.406 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -43.8 | 175.4 | -169.8 | 22.9 | 0 | 0 | 0 | 113 | S184 A188 M189 D325 S327 | S184-N186 PolarHBondContact O-N 3.01Å; N186-A188 VanDerWaalsContact C-N 3.29Å; N186-A188 PolarHBondContact O-N 3.21Å; N186-M189 WeakPolarHBondContact O-CB 3.43Å; N186-M189 VanDerWaalsContact O-CG 3.24Å; N186-M189 WeakPolarHBondContact O-CG 3.37Å; N186-M189 PolarHBondContact O-N 3.39Å; N186-D325 WeakPolarHBondContact CB-OD2 3.42Å; N186-S327 WeakPolarHBondContact CA-OG 3.06Å; N186-S327 PolarHBondContact N-OG 3.11Å; N186-S327 VanDerWaalsContact N-OG 3.16Å |
| 187 | I | 91.7 | Very high | 92.1 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -66.7 | -36.7 | 177.9 | -63.8 | 168.8 | 0 | 0 | 0 | 110.5 | K153 Q175 I183 S184 M189 | K153-I187 HydrophobicContact CG-CG1 4.38Å; Q175-I187 HydrophobicContact CB-CG2 4.04Å; Q175-I187 HydrophobicContact CG-CG2 4.46Å; I183-I187 HydrophobicContact CG2-CB 4.22Å; I183-I187 HydrophobicContact CG2-CG2 4.25Å; S184-I187 PolarHBondContact O-N 3.24Å; S184-I187 VanDerWaalsContact O-N 3.14Å; S184-I187 VanDerWaalsContact OG-CD1 3.3Å; S184-I187 WeakPolarHBondContact OG-CD1 3.46Å; S184-I187 VanDerWaalsContact OG-CG1 3.32Å; S184-I187 WeakPolarHBondContact OG-CG1 3.48Å; I187-M189 VanDerWaalsContact C-N 3.27Å; I187-M189 PolarHBondContact O-N 3.24Å |
| 188 | A | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -86.9 | 20.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y151 I183 S184 A185 N186 N190 Y252 P255 F320 | Y151-A188 HydrophobicContact CD1-CB 4.09Å; Y151-A188 HydrophobicContact CE1-CB 3.68Å; Y151-A188 HydrophobicContact CE2-CB 4.27Å; I183-A188 HydrophobicContact CG2-CB 4.33Å; S184-A188 PolarHBondContact O-N 3.48Å; A185-A188 CarbonylContact O-C 3.6Å; A185-A188 PolarHBondContact O-N 3.24Å; N186-A188 VanDerWaalsContact C-N 3.29Å; N186-A188 PolarHBondContact O-N 3.21Å; A188-N190 VanDerWaalsContact C-N 3.33Å; A188-N190 PolarHBondContact O-N 3.45Å; A188-Y252 PolarHBondContact O-OH 2.98Å; A188-P255 HydrophobicContact CB-CG 3.5Å; A188-P255 VanDerWaalsContact CB-CG 3.5Å; A188-P255 VanDerWaalsContact O-CD 3.28Å; A188-P255 WeakPolarHBondContact O-CD 3.27Å; A188-F320 HydrophobicContact CB-CZ 4.48Å |
| 189 | M | 91.4 | Very high | 91.2 | Very high | 60 Ų | 60 | 38.6 Ų | 38.6 | 30% | 0.296 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -67 | -34.4 | 178.3 | -76.7 | -64.8 | -74.4 | 0 | 0 | 113.2 | A185 N186 I187 P254 Y331 | A185-M189 WeakPolarHBondContact O-CG 3.45Å; A185-M189 PolarHBondContact O-N 3.4Å; N186-M189 WeakPolarHBondContact O-CB 3.43Å; N186-M189 VanDerWaalsContact O-CG 3.24Å; N186-M189 WeakPolarHBondContact O-CG 3.37Å; N186-M189 PolarHBondContact O-N 3.39Å; I187-M189 VanDerWaalsContact C-N 3.27Å; I187-M189 PolarHBondContact O-N 3.24Å; M189-P254 HydrophobicContact SD-CB 4.04Å; M189-P254 HydrophobicContact SD-CG 4.23Å; M189-Y331 HydrophobicContact CE-CD2 4.25Å |
| 190 | N | 91.3 | Very high | 90.9 | Very high | 103 Ų | 103 | 39.8 Ų | 39.8 | 55% | 0.551 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -100.5 | 154.6 | 178.9 | -65.9 | -32.3 | 0 | 0 | 0 | 110.4 | Y151 A188 Y252 | Y151-N190 WeakPolarHBondContact CE1-O 3.45Å; A188-N190 VanDerWaalsContact C-N 3.33Å; A188-N190 PolarHBondContact O-N 3.45Å; N190-Y252 VanDerWaalsContact C-CE1 3.48Å |
| 191 | P | 92.2 | Very high | 90.5 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 140.1 | 176 | 24.7 | -33.9 | 0 | 0 | 0 | 110.7 | W230 Y252 | P191-W230 HydrophobicContact CB-CH2 4.47Å; P191-W230 HydrophobicContact CB-CZ2 4.38Å; P191-Y252 HydrophobicContact CB-CD1 4.1Å; P191-Y252 HydrophobicContact CB-CD2 4.03Å; P191-Y252 HydrophobicContact CB-CG 3.77Å |
| 192 | P | 93 | Very high | 90 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 157.3 | 179.7 | 30.5 | -33.2 | 0 | 0 | 0 | 111.6 | I149 E150 Y151 W230 F268 | I149-P192 HydrophobicContact CG2-CB 3.4Å; I149-P192 HydrophobicContact CG2-CG 3.59Å; E150-P192 CarbonylContact O-C 3.59Å; E150-P192 WeakPolarHBondContact O-CA 3.24Å; E150-P192 WeakPolarHBondContact O-CB 3.16Å; Y151-P192 HydrophobicContact CD1-CB 3.77Å; Y151-P192 HydrophobicContact CD2-CB 4.2Å; Y151-P192 HydrophobicContact CE1-CB 3.63Å; Y151-P192 HydrophobicContact CE1-CG 3.88Å; Y151-P192 HydrophobicContact CE2-CB 4.06Å; Y151-P192 HydrophobicContact CE2-CG 4.39Å; Y151-P192 HydrophobicContact CG-CB 4.07Å; P192-W230 HydrophobicContact CG-CZ3 3.93Å; P192-F268 HydrophobicContact CG-CE1 4.35Å; P192-F268 HydrophobicContact CG-CZ 4.13Å |
| 193 | F | 91 | Very high | 89.8 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 138.2 | 164.1 | -179.9 | -110.4 | 0 | 0 | 0 | 110.1 | I149 E150 N195 V242 | I149-F193 WeakPolarHBondContact CA-O 3.19Å; E150-F193 HydrophobicContact CB-CB 4.31Å; E150-F193 HydrophobicContact CB-CD1 4.47Å; E150-F193 PolarHBondContact N-O 2.69Å; E150-F193 PolarHBondContact O-N 2.83Å; F193-N195 HydrophobicContact CE1-CB 4.04Å; F193-V242 HydrophobicContact CD1-CG1 4.01Å; F193-V242 HydrophobicContact CD2-CG1 4.17Å; F193-V242 HydrophobicContact CE1-CG1 3.34Å; F193-V242 HydrophobicContact CE2-CB 4.3Å; F193-V242 HydrophobicContact CE2-CG1 3.61Å; F193-V242 WeakPolarHBondContact CE2-O 3.42Å; F193-V242 HydrophobicContact CG-CG1 4.39Å; F193-V242 HydrophobicContact CZ-CB 3.95Å; F193-V242 HydrophobicContact CZ-CG1 3.14Å |
| 194 | I | 90.6 | Very high | 89.6 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.9 | -179.5 | -52.6 | 148.6 | 0 | 0 | 0 | 108.7 | F147 L196 L207 W230 V244 | F147-I194 HydrophobicContact CD2-CG2 4.33Å; I194-L196 HydrophobicContact CG2-CD2 4.15Å; I194-L196 HydrophobicContact CG2-CG 4.08Å; I194-L207 HydrophobicContact CD1-CD2 3.28Å; I194-L207 HydrophobicContact CG1-CD2 3.89Å; I194-W230 HydrophobicContact CD1-CH2 3.44Å; I194-W230 VanDerWaalsContact CD1-CH2 3.44Å; I194-W230 HydrophobicContact CD1-CZ3 3.61Å; I194-W230 HydrophobicContact CG1-CH2 4.29Å; I194-W230 HydrophobicContact CG1-CZ3 4.2Å; I194-V244 HydrophobicContact CB-CG2 3.96Å; I194-V244 HydrophobicContact CG2-CG2 4.37Å; I194-V244 WeakPolarHBondContact O-CG2 3.15Å |
| 195 | N | 88.9 | Confident | 89.7 | Confident | 43 Ų | 43 | 48.5 Ų | 48.5 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113.4 | 174.2 | -176.8 | 5.6 | 0 | 0 | 0 | 110.1 | E148 F193 S197 | E148-N195 HydrophobicContact CB-CB 4.14Å; E148-N195 PolarHBondContact N-O 2.91Å; E148-N195 VanDerWaalsContact N-O 3.13Å; E148-N195 PolarHBondContact O-N 3.05Å; E148-N195 PolarHBondContact OE2-ND2 2.95Å; F193-N195 HydrophobicContact CE1-CB 4.04Å; N195-S197 PolarHBondContact ND2-OG 3.25Å; N195-S197 WeakPolarHBondContact OD1-CB 3.47Å; N195-S197 PolarHBondContact OD1-N 2.97Å; N195-S197 PolarHBondContact OD1-OG 3.03Å |
| 196 | L | 87.4 | Confident | 89.7 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | trans | -104 | 16.9 | 177.1 | -65.2 | 176.5 | 0 | 0 | 0 | 113 | F147 I194 A198 A199 L235 S237 V244 L270 | F147-L196 HydrophobicContact CB-CD2 3.74Å; F147-L196 HydrophobicContact CG-CD2 4.46Å; I194-L196 HydrophobicContact CG2-CD2 4.15Å; I194-L196 HydrophobicContact CG2-CG 4.08Å; L196-A198 PolarHBondContact O-N 3.44Å; L196-A198 VanDerWaalsContact O-N 3.15Å; L196-A199 HydrophobicContact CB-CB 4.38Å; L196-A199 WeakPolarHBondContact O-CB 3.41Å; L196-A199 PolarHBondContact O-N 3.1Å; L196-L235 HydrophobicContact CD1-CB 4.17Å; L196-S237 PolarHBondContact O-OG 3.19Å; L196-V244 HydrophobicContact CD1-CG1 3.78Å; L196-V244 HydrophobicContact CD1-CG2 4.27Å; L196-V244 HydrophobicContact CG-CG2 4.45Å; L196-L270 HydrophobicContact CD2-CD1 4.06Å; L196-L270 HydrophobicContact CD2-CD2 3.82Å | ||
| 197 | S | 84 | Confident | 89.9 | Confident | 84 Ų | 84 | 45 Ų | 45 | 59% | 0.587 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28.5 | -177.4 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | N195 | N195-S197 PolarHBondContact ND2-OG 3.25Å; N195-S197 WeakPolarHBondContact OD1-CB 3.47Å; N195-S197 PolarHBondContact OD1-N 2.97Å; N195-S197 PolarHBondContact OD1-OG 3.03Å |
| 198 | A | 82.9 | Confident | 90.1 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N146 L196 | N146-A198 HydrophobicContact CB-CB 4.45Å; L196-A198 PolarHBondContact O-N 3.44Å; L196-A198 VanDerWaalsContact O-N 3.15Å |
| 199 | A | 85.2 | Confident | 90.2 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -85.6 | 147.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V145 L196 N201 W205 | V145-A199 HydrophobicContact CG1-CB 3.77Å; L196-A199 HydrophobicContact CB-CB 4.38Å; L196-A199 WeakPolarHBondContact O-CB 3.41Å; L196-A199 PolarHBondContact O-N 3.1Å; A199-N201 PolarHBondContact O-N 2.71Å; A199-N201 PolarHBondContact O-OD1 3.22Å; A199-W205 HydrophobicContact CB-CZ2 3.9Å |
| 200 | P | 85.9 | Confident | 90.4 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 42% | 0.416 | 23% | 0.232 | S | C | . | . | trans | -61.5 | 128.7 | 175.3 | -15.8 | 21.4 | 0 | 0 | 0 | 112.9 | N202 F203 W205 | P200-N202 PolarHBondContact O-N 3.24Å; P200-F203 HydrophobicContact CB-CD2 4.16Å; P200-W205 HydrophobicContact CG-CZ2 4.3Å; P200-W205 PolarHBondContact O-NE1 3.11Å | ||
| 201 | N | 84.2 | Confident | 90.5 | Very high | 94 Ų | 94 | 36 Ų | 36 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -10.4 | -176.1 | -62.1 | -4.9 | 0 | 0 | 0 | 114.8 | A199 F203 S237 | A199-N201 PolarHBondContact O-N 2.71Å; A199-N201 PolarHBondContact O-OD1 3.22Å; N201-F203 VanDerWaalsContact C-N 3.31Å; N201-S237 VanDerWaalsContact OD1-CB 3.31Å; N201-S237 WeakPolarHBondContact OD1-CB 3.34Å; N201-S237 PolarHBondContact OD1-OG 2.95Å |
| 202 | N | 86.8 | Confident | 90.5 | Very high | 147 Ų | 147 | 33.8 Ų | 33.8 | 79% | 0.786 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -14.7 | -174.9 | -62.7 | -10.4 | 0 | 0 | 0 | 113.3 | P200 | P200-N202 PolarHBondContact O-N 3.24Š|
| 203 | F | 90.2 | Very high | 90.4 | Very high | 68 Ų | 68 | 35.3 Ų | 35.3 | 30% | 0.298 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -112.6 | 154.6 | -175.8 | -60.8 | -78.7 | 0 | 0 | 0 | 110.8 | P200 N201 W205 R272 | P200-F203 HydrophobicContact CB-CD2 4.16Å; N201-F203 VanDerWaalsContact C-N 3.31Å; F203-W205 HydrophobicContact CB-CZ2 4.13Å; F203-W205 PolarHBondContact O-NE1 3.03Å; F203-R272 HydrophobicContact CB-CG 3.78Å; F203-R272 HydrophobicContact CD1-CG 4.14Å; F203-R272 HydrophobicContact CD2-CG 4.41Å; F203-R272 HydrophobicContact CG-CG 3.86Å |
| 204 | Y | 92.4 | Very high | 90.2 | Very high | 55 Ų | 55 | 33.1 Ų | 33.1 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 152.7 | 166.5 | -65.9 | -91.3 | 0 | 0 | 0 | 109.6 | N234 L235 Q236 Q273 K277 | Y204-N234 HydrophobicContact CD1-CB 4.36Å; Y204-L235 WeakPolarHBondContact CA-O 3.37Å; Y204-Q236 HydrophobicContact CD1-CG 3.56Å; Y204-Q236 VanDerWaalsContact CE1-CD 3.48Å; Y204-Q236 HydrophobicContact CE1-CG 3.49Å; Y204-Q236 VanDerWaalsContact CE1-CG 3.49Å; Y204-Q236 PolarHBondContact OH-NE2 3.47Å; Y204-Q273 WeakPolarHBondContact O-CB 3.49Å; Y204-Q273 PolarHBondContact O-N 3.11Å; Y204-K277 HydrophobicContact CD1-CG 3.91Å; Y204-K277 HydrophobicContact CD2-CG 4.2Å; Y204-K277 HydrophobicContact CE1-CD 4.02Å; Y204-K277 HydrophobicContact CE1-CG 3.51Å; Y204-K277 HydrophobicContact CE2-CG 3.89Å; Y204-K277 HydrophobicContact CG-CG 4.22Å; Y204-K277 WeakPolarHBondContact OH-CE 3.5Å |
| 205 | W | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.4 | -177 | -52.3 | 87.2 | 0 | 0 | 0 | 111.1 | V145 A199 P200 F203 N234 L235 L270 Y271 R272 A315 | V145-W205 HydrophobicContact CG1-CH2 4.41Å; V145-W205 HydrophobicContact CG2-CH2 3.89Å; V145-W205 HydrophobicContact CG2-CZ3 4.12Å; A199-W205 HydrophobicContact CB-CZ2 3.9Å; P200-W205 HydrophobicContact CG-CZ2 4.3Å; P200-W205 PolarHBondContact O-NE1 3.11Å; F203-W205 HydrophobicContact CB-CZ2 4.13Å; F203-W205 PolarHBondContact O-NE1 3.03Å; W205-N234 PolarHBondContact O-N 3.42Å; W205-N234 VanDerWaalsContact O-N 3.13Å; W205-L235 HydrophobicContact CB-CB 4.05Å; W205-L235 PolarHBondContact N-O 3.02Å; W205-L235 WeakPolarHBondContact O-CB 3.12Å; W205-L235 PolarHBondContact O-N 3.19Å; W205-L270 HydrophobicContact CB-CD1 3.86Å; W205-L270 HydrophobicContact CB-CG 4.41Å; W205-L270 HydrophobicContact CD2-CD2 4.28Å; W205-L270 HydrophobicContact CD2-CG 4.47Å; W205-L270 HydrophobicContact CE3-CD2 3.79Å; W205-L270 HydrophobicContact CE3-CG 3.85Å; W205-L270 HydrophobicContact CZ3-CD2 4.28Å; W205-Y271 CarbonylContact C-O 3.4Å; W205-Y271 VanDerWaalsContact CA-O 3.28Å; W205-Y271 WeakPolarHBondContact CA-O 3.46Å; W205-R272 HydrophobicContact CE3-CB 3.93Å; W205-R272 HydrophobicContact CE3-CG 4.22Å; W205-R272 HydrophobicContact CH2-CB 4.04Å; W205-R272 HydrophobicContact CH2-CG 3.76Å; W205-R272 HydrophobicContact CZ2-CG 4.3Å; W205-R272 HydrophobicContact CZ3-CB 3.48Å; W205-R272 VanDerWaalsContact CZ3-CB 3.48Å; W205-R272 HydrophobicContact CZ3-CG 3.71Å; W205-A315 HydrophobicContact CZ3-CB 3.68Å |
| 206 | T | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.6 | 169.1 | -63.8 | 0 | 0 | 0 | 0 | 108.4 | M231 V232 T233 Y271 Q273 L280 | T206-M231 HydrophobicContact CG2-CE 4.2Å; T206-V232 CarbonylContact C-O 3.58Å; T206-V232 WeakPolarHBondContact CA-O 3.39Å; T206-T233 HydrophobicContact CG2-CG2 3.72Å; T206-Y271 PolarHBondContact N-O 3.26Å; T206-Y271 PolarHBondContact O-N 2.83Å; T206-Q273 PolarHBondContact OG1-NE2 3Å; T206-L280 HydrophobicContact CG2-CD1 4.5Å |
| 207 | L | 95.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.6 | 174.2 | -176.8 | 72.6 | 0 | 0 | 0 | 109.3 | F147 I194 W230 M231 V232 L235 F268 L270 | F147-L207 HydrophobicContact CE2-CD1 3.7Å; F147-L207 HydrophobicContact CZ-CD1 4.26Å; I194-L207 HydrophobicContact CD1-CD2 3.28Å; I194-L207 HydrophobicContact CG1-CD2 3.89Å; L207-W230 HydrophobicContact CD2-CE3 3.99Å; L207-W230 HydrophobicContact CD2-CH2 4.47Å; L207-W230 HydrophobicContact CD2-CZ3 3.73Å; L207-M231 WeakPolarHBondContact O-CA 3.3Å; L207-V232 PolarHBondContact N-O 3.26Å; L207-V232 PolarHBondContact O-N 3.36Å; L207-L235 HydrophobicContact CB-CD1 3.54Å; L207-F268 HydrophobicContact CD1-CB 4.2Å; L207-F268 HydrophobicContact CD1-CD1 4.24Å; L207-F268 HydrophobicContact CD2-CD1 4.33Å; L207-F268 HydrophobicContact CG-CD1 4.43Å; L207-L270 HydrophobicContact CB-CD1 4.41Å; L207-L270 HydrophobicContact CD1-CD1 4.22Å |
| 208 | L | 95.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 130.1 | 177.2 | 173.3 | 141.9 | 0 | 0 | 0 | 109.4 | T210 I228 F268 I269 Y271 F299 T301 F304 | L208-T210 HydrophobicContact CD2-CG2 3.41Å; L208-T210 VanDerWaalsContact CD2-CG2 3.41Å; L208-T210 HydrophobicContact CG-CG2 4Å; L208-I228 HydrophobicContact CD1-CD1 3.65Å; L208-I228 HydrophobicContact CG-CD1 4.02Å; L208-F268 CarbonylContact O-C 3.55Å; L208-F268 VanDerWaalsContact O-CA 3.26Å; L208-F268 WeakPolarHBondContact O-CA 3.34Å; L208-I269 HydrophobicContact CD2-CB 4.35Å; L208-I269 HydrophobicContact CD2-CD1 3.79Å; L208-I269 HydrophobicContact CD2-CG1 4.15Å; L208-I269 PolarHBondContact N-O 2.89Å; L208-I269 PolarHBondContact O-N 3.2Å; L208-Y271 HydrophobicContact CB-CE2 4.32Å; L208-F299 HydrophobicContact CD1-CE1 3.67Å; L208-F299 HydrophobicContact CD1-CZ 3.82Å; L208-T301 HydrophobicContact CD1-CG2 4.42Å; L208-T301 HydrophobicContact CD2-CG2 3.69Å; L208-F304 HydrophobicContact CD1-CD1 4.38Å; L208-F304 HydrophobicContact CD1-CE1 4.32Å |
| 209 | M | 96.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.1 | 174.8 | -173.9 | -173.4 | 171.5 | 0 | 0 | 109.3 | H229 W230 Y252 Y266 I267 F268 F320 | M209-H229 HydrophobicContact CB-CB 4.21Å; M209-H229 HydrophobicContact CE-CB 4.06Å; M209-H229 HydrophobicContact CG-CB 3.86Å; M209-H229 PolarHBondContact O-N 3.13Å; M209-H229 HydrophobicContact SD-CB 3.69Å; M209-W230 HydrophobicContact CB-CB 3.79Å; M209-W230 PolarHBondContact N-O 2.96Å; M209-W230 PolarHBondContact O-N 2.82Å; M209-W230 HydrophobicContact SD-CB 4.32Å; M209-Y252 HydrophobicContact CE-CE2 4.33Å; M209-Y252 HydrophobicContact SD-CD2 4.37Å; M209-Y252 HydrophobicContact SD-CE2 3.72Å; M209-Y266 HydrophobicContact CE-CD1 3.64Å; M209-Y266 HydrophobicContact CE-CE1 4.49Å; M209-Y266 HydrophobicContact CE-CG 4.22Å; M209-I267 CarbonylContact C-O 3.57Å; M209-I267 VanDerWaalsContact CA-O 3.27Å; M209-I267 WeakPolarHBondContact CA-O 3.42Å; M209-F268 HydrophobicContact CB-CD1 3.7Å; M209-F268 HydrophobicContact CB-CE1 3.6Å; M209-F268 HydrophobicContact CB-CZ 4.44Å; M209-F268 HydrophobicContact CE-CZ 4.02Å; M209-F268 HydrophobicContact CG-CD1 3.83Å; M209-F268 HydrophobicContact CG-CE1 3.43Å; M209-F268 VanDerWaalsContact CG-CE1 3.43Å; M209-F268 HydrophobicContact CG-CE2 4.45Å; M209-F268 HydrophobicContact CG-CG 4.48Å; M209-F268 HydrophobicContact CG-CZ 3.79Å; M209-F268 HydrophobicContact SD-CD1 4.46Å; M209-F268 HydrophobicContact SD-CE1 3.49Å; M209-F268 WeakPolarHBondContact SD-CE1 3.49Å; M209-F268 HydrophobicContact SD-CZ 3.55Å; M209-F268 VanDerWaalsContact SD-CZ 3.55Å; M209-F320 HydrophobicContact CE-CE1 4.11Å; M209-F320 HydrophobicContact CE-CZ 4.04Å |
| 210 | T | 95.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 152.6 | -177.2 | 44.6 | 0 | 0 | 0 | 0 | 112.8 | L208 Y227 I228 I267 F299 T301 | L208-T210 HydrophobicContact CD2-CG2 3.41Å; L208-T210 VanDerWaalsContact CD2-CG2 3.41Å; L208-T210 HydrophobicContact CG-CG2 4Å; T210-Y227 CarbonylContact C-O 3.56Å; T210-Y227 VanDerWaalsContact CA-O 3.3Å; T210-Y227 WeakPolarHBondContact CA-O 3.08Å; T210-I228 HydrophobicContact CG2-CB 4.2Å; T210-I228 HydrophobicContact CG2-CD1 4.34Å; T210-I228 HydrophobicContact CG2-CG1 4.12Å; T210-I267 PolarHBondContact N-O 2.81Å; T210-I267 PolarHBondContact O-N 3.13Å; T210-F299 HydrophobicContact CG2-CD1 4.07Å; T210-F299 HydrophobicContact CG2-CE1 4.43Å; T210-T301 HydrophobicContact CG2-CG2 4.08Å |
| 211 | C | 94.6 | Very high | 80.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 105 | 174.1 | -175.4 | 0 | 0 | 0 | 0 | 108.7 | D213 E226 Y227 Y266 | C211-D213 PolarHBondContact O-N 2.85Å; C211-E226 WeakPolarHBondContact O-CA 3.46Å; C211-E226 WeakPolarHBondContact O-CB 3.41Å; C211-Y227 PolarHBondContact N-O 3.18Å; C211-Y227 PolarHBondContact O-N 3Å; C211-Y266 HydrophobicContact CB-CD1 4.15Å; C211-Y266 HydrophobicContact CB-CE1 3.93Å |
| 212 | P | 92.2 | Very high | 79.1 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.3 | 177.6 | 30.8 | -37 | 0 | 0 | 0 | 113.8 | L134 E214 R265 I267 | L134-P212 HydrophobicContact CD2-CB 4.46Å; P212-E214 VanDerWaalsContact C-N 3.34Å; P212-R265 WeakPolarHBondContact CD-O 3.36Å; P212-I267 HydrophobicContact CG-CD1 3.68Å |
| 213 | D | 91 | Very high | 77.3 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 23% | 0.225 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -4.5 | -177 | -56 | -32.9 | 0 | 0 | 0 | 111.9 | C211 I216 H264 R265 | C211-D213 PolarHBondContact O-N 2.85Å; D213-I216 VanDerWaalsContact O-CG1 3.31Å; D213-I216 WeakPolarHBondContact O-CG1 3.33Å; D213-H264 HydrophobicContact CB-CB 4.4Å; D213-H264 WeakPolarHBondContact OD2-CA 3.44Å; D213-R265 IonicContact OD1-CZ 3.77Å; D213-R265 IonicContact OD1-NE 3.5Å; D213-R265 PolarHBondContact OD1-NE 3.36Å; D213-R265 IonicContact OD1-NH2 3.66Å; D213-R265 PolarHBondContact OD1-NH2 3.4Å; D213-R265 WeakPolarHBondContact OD2-CB 2.89Å; D213-R265 WeakPolarHBondContact OD2-CG 3.34Å; D213-R265 PolarHBondContact OD2-N 2.79Å; D213-R265 IonicContact OD2-NE 2.7Å; D213-R265 PolarHBondContact OD2-NE 2.86Å |
| 214 | E | 86.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -128.5 | 142.5 | 178.3 | -65.3 | 172.7 | -152.3 | 0 | 0 | 110.9 | P212 E226 Y227 I256 Y258 H264 Y266 | P212-E214 VanDerWaalsContact C-N 3.34Å; E214-E226 CarbonylContact O-C 3.42Å; E214-E226 WeakPolarHBondContact O-CA 3.46Å; E214-Y227 HydrophobicContact CB-CD2 3.54Å; E214-Y227 HydrophobicContact CB-CE2 4Å; E214-Y227 HydrophobicContact CB-CG 4.11Å; E214-Y227 PolarHBondContact O-N 3.24Å; E214-Y227 VanDerWaalsContact O-N 3.11Å; E214-Y227 WeakPolarHBondContact OE2-CD2 2.99Å; E214-I256 WeakPolarHBondContact OE2-CG1 3.49Å; E214-Y258 HydrophobicContact CG-CE2 4.49Å; E214-H264 WeakPolarHBondContact CG-ND1 3.37Å; E214-H264 IonicContact OE1-CE1 3.86Å; E214-H264 PolarHBondContact OE1-CE1 3.16Å; E214-H264 IonicContact OE1-CG 3.87Å; E214-H264 IonicContact OE1-ND1 2.78Å; E214-H264 PolarHBondContact OE1-ND1 3Å; E214-Y266 PolarHBondContact OE1-OH 2.67Å; E214-Y266 VanDerWaalsContact OE1-OH 3.05Å | ||
| 215 | P | 81.7 | Confident | 74.6 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 12% | 0.117 | 29% | 0.289 | C | S | . | . | cis | -83.8 | 143.2 | 3.4 | 27.5 | -27.4 | 0 | 0 | 0 | 114.4 | G217 N225 Y227 Q294 | P215-G217 PolarHBondContact O-N 3.42Å; P215-N225 VanDerWaalsContact CD-O 3.24Å; P215-N225 WeakPolarHBondContact CD-O 3.39Å; P215-N225 HydrophobicContact CG-CB 4.16Å; P215-Y227 HydrophobicContact CB-CE1 4Å; P215-Y227 HydrophobicContact CB-CE2 4.22Å; P215-Y227 WeakPolarHBondContact CB-OH 3.37Å; P215-Y227 HydrophobicContact CG-CD1 4.46Å; P215-Y227 HydrophobicContact CG-CE1 3.73Å; P215-Q294 HydrophobicContact CG-CG 4.17Å | ||
| 216 | I | 74.5 | Confident | 74.4 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 35% | 0.354 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 115.8 | 172.6 | -63.2 | 167.7 | 0 | 0 | 0 | 108.1 | D213 Y258 T261 F343 | D213-I216 VanDerWaalsContact O-CG1 3.31Å; D213-I216 WeakPolarHBondContact O-CG1 3.33Å; I216-Y258 HydrophobicContact CB-CD2 4.43Å; I216-Y258 HydrophobicContact CB-CE2 4.3Å; I216-Y258 HydrophobicContact CD1-CD2 3.93Å; I216-Y258 HydrophobicContact CD1-CE2 4.4Å; I216-Y258 HydrophobicContact CG1-CD2 4.46Å; I216-Y258 HydrophobicContact CG1-CE2 4.46Å; I216-T261 HydrophobicContact CD1-CG2 3.38Å; I216-F343 HydrophobicContact CB-CZ 4.31Å; I216-F343 HydrophobicContact CG2-CE1 3.94Å; I216-F343 HydrophobicContact CG2-CZ 4.11Å |
| 217 | G | 61.6 | Low | 74.2 | Confident | 64 Ų | 64 | 47.1 Ų | 47.1 | 66% | 0.66 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.3 | 17.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | P215 D219 | P215-G217 PolarHBondContact O-N 3.42Å; G217-D219 PolarHBondContact O-N 3.43Å; G217-D219 VanDerWaalsContact O-N 3.07Å |
| 218 | S | 54.9 | Low | 74.2 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | trans | -72.9 | 101 | 165.6 | 67 | 0 | 0 | 0 | 0 | 109.6 | S220 | S218-S220 PolarHBondContact O-N 3.01Å; S218-S220 VanDerWaalsContact O-N 3.07Å | ||
| 219 | D | 47.4 | Very low | 74.1 | Confident | 165 Ų | 165 | 47.1 Ų | 47.1 | 88% | 0.882 | 29% | 0.291 | S | S | * | . | trans | -62.1 | -7.4 | 176.5 | -75.9 | -27.4 | 0 | 0 | 0 | 113.5 | G217 C221 | G217-D219 PolarHBondContact O-N 3.43Å; G217-D219 VanDerWaalsContact O-N 3.07Å; D219-C221 PolarHBondContact O-N 3.03Å | ||
| 220 | S | 44.2 | Very low | 74.1 | Confident | 58 Ų | 58 | 48.1 Ų | 48.1 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -67.7 | 125.8 | 173.9 | 43.4 | 0 | 0 | 0 | 0 | 110.2 | S218 E222 | S218-S220 PolarHBondContact O-N 3.01Å; S218-S220 VanDerWaalsContact O-N 3.07Å; S220-E222 PolarHBondContact O-N 3.33Å |
| 221 | C | 42 | Very low | 74 | Confident | 139 Ų | 139 | 48.1 Ų | 48.1 | 94% | 0.939 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -60.1 | 20.7 | 169.8 | -72.8 | 0 | 0 | 0 | 0 | 114.5 | D219 | D219-C221 PolarHBondContact O-N 3.03Š|
| 222 | E | 48.8 | Very low | 74 | Confident | 132 Ų | 132 | 48.5 Ų | 48.5 | 62% | 0.617 | 30% | 0.298 | S | S | * | . | trans | -92 | 118 | 172.1 | -66.6 | -167.6 | 169.8 | 0 | 0 | 108.6 | S220 S224 | S220-E222 PolarHBondContact O-N 3.33Å; E222-S224 PolarHBondContact O-N 3.32Å | ||
| 223 | P | 49.1 | Very low | 74.1 | Confident | 137 Ų | 137 | 47.3 Ų | 47.3 | 89% | 0.89 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -74.1 | 6.3 | -166.7 | 28.9 | -35.5 | 0 | 0 | 0 | 115.1 | ||
| 224 | S | 55.3 | Low | 74.2 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | trans | -152.9 | 82.3 | -170.2 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | E222 | E222-S224 PolarHBondContact O-N 3.32Š| ||
| 225 | N | 70.6 | Confident | 74.4 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | trans | -107 | 111.8 | 150.8 | -76.2 | -40.8 | 0 | 0 | 0 | 105.9 | P215 | P215-N225 VanDerWaalsContact CD-O 3.24Å; P215-N225 WeakPolarHBondContact CD-O 3.39Å; P215-N225 HydrophobicContact CG-CB 4.16Å | ||
| 226 | E | 89.6 | Confident | 74.5 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 156.7 | 174.1 | 51.2 | 176.3 | -157.5 | 0 | 0 | 108.9 | L134 C211 E214 F299 T301 | L134-E226 WeakPolarHBondContact CD2-OE2 3.15Å; C211-E226 WeakPolarHBondContact O-CA 3.46Å; C211-E226 WeakPolarHBondContact O-CB 3.41Å; E214-E226 CarbonylContact O-C 3.42Å; E214-E226 WeakPolarHBondContact O-CA 3.46Å; E226-F299 HydrophobicContact CG-CB 4.46Å; E226-F299 HydrophobicContact CG-CD1 4.49Å; E226-F299 WeakPolarHBondContact CG-O 3.13Å; E226-F299 PolarHBondContact N-O 3.07Å; E226-F299 VanDerWaalsContact N-O 3.14Å; E226-F299 PolarHBondContact O-N 3.35Å; E226-F299 VanDerWaalsContact OE1-CD1 3.31Å; E226-F299 WeakPolarHBondContact OE1-CD1 3.29Å; E226-T301 VanDerWaalsContact CD-OG1 3.23Å; E226-T301 WeakPolarHBondContact OE1-CA 3.31Å; E226-T301 WeakPolarHBondContact OE1-CB 3.46Å; E226-T301 WeakPolarHBondContact OE1-CG2 3.48Å; E226-T301 PolarHBondContact OE1-N 2.79Å; E226-T301 PolarHBondContact OE1-OG1 3.47Å; E226-T301 PolarHBondContact OE2-OG1 3.04Å; E226-T301 VanDerWaalsContact OE2-OG1 3.1Å |
| 227 | Y | 91.9 | Very high | 74.4 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 129.4 | 173.3 | -76.1 | -12.9 | 0 | 0 | 0 | 112 | T210 C211 E214 P215 L293 Q294 R297 | T210-Y227 CarbonylContact C-O 3.56Å; T210-Y227 VanDerWaalsContact CA-O 3.3Å; T210-Y227 WeakPolarHBondContact CA-O 3.08Å; C211-Y227 PolarHBondContact N-O 3.18Å; C211-Y227 PolarHBondContact O-N 3Å; E214-Y227 HydrophobicContact CB-CD2 3.54Å; E214-Y227 HydrophobicContact CB-CE2 4Å; E214-Y227 HydrophobicContact CB-CG 4.11Å; E214-Y227 PolarHBondContact O-N 3.24Å; E214-Y227 VanDerWaalsContact O-N 3.11Å; E214-Y227 WeakPolarHBondContact OE2-CD2 2.99Å; P215-Y227 HydrophobicContact CB-CE1 4Å; P215-Y227 HydrophobicContact CB-CE2 4.22Å; P215-Y227 WeakPolarHBondContact CB-OH 3.37Å; P215-Y227 HydrophobicContact CG-CD1 4.46Å; P215-Y227 HydrophobicContact CG-CE1 3.73Å; Y227-L293 HydrophobicContact CE2-CD2 3.94Å; Y227-L293 HydrophobicContact CE2-CG 4.2Å; Y227-Q294 HydrophobicContact CE1-CB 4.36Å; Y227-Q294 HydrophobicContact CE1-CG 4.33Å; Y227-Q294 WeakPolarHBondContact OH-CA 3.32Å; Y227-Q294 WeakPolarHBondContact OH-CB 3.48Å; Y227-R297 WeakPolarHBondContact CA-O 3.18Å; Y227-R297 HydrophobicContact CD1-CB 4.17Å; Y227-R297 HydrophobicContact CG-CB 4.38Å |
| 228 | I | 93.9 | Very high | 74.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.7 | 170.1 | -167.6 | 152.7 | 0 | 0 | 0 | 110.3 | L208 T210 M231 I250 K285 R297 F299 | L208-I228 HydrophobicContact CD1-CD1 3.65Å; L208-I228 HydrophobicContact CG-CD1 4.02Å; T210-I228 HydrophobicContact CG2-CB 4.2Å; T210-I228 HydrophobicContact CG2-CD1 4.34Å; T210-I228 HydrophobicContact CG2-CG1 4.12Å; I228-M231 HydrophobicContact CD1-CB 4.22Å; I228-M231 HydrophobicContact CD1-SD 4.43Å; I228-I250 HydrophobicContact CB-CD1 4.39Å; I228-I250 HydrophobicContact CD1-CD1 3.56Å; I228-I250 HydrophobicContact CG1-CD1 3.87Å; I228-I250 HydrophobicContact CG2-CD1 3.65Å; I228-I250 HydrophobicContact CG2-CG2 4.37Å; I228-K285 HydrophobicContact CG2-CD 4.38Å; I228-R297 WeakPolarHBondContact CG2-O 3.45Å; I228-R297 PolarHBondContact N-O 3.49Å; I228-R297 WeakPolarHBondContact O-CD 3.32Å; I228-R297 PolarHBondContact O-NH1 2.83Å; I228-F299 HydrophobicContact CB-CB 3.78Å; I228-F299 HydrophobicContact CB-CD1 4.21Å; I228-F299 HydrophobicContact CB-CD2 4.49Å; I228-F299 HydrophobicContact CB-CG 3.92Å; I228-F299 HydrophobicContact CD1-CD1 3.85Å; I228-F299 HydrophobicContact CD1-CD2 3.99Å; I228-F299 HydrophobicContact CD1-CE1 3.83Å; I228-F299 HydrophobicContact CD1-CE2 3.96Å; I228-F299 HydrophobicContact CD1-CG 3.92Å; I228-F299 HydrophobicContact CD1-CZ 3.85Å; I228-F299 HydrophobicContact CG2-CB 3.84Å; I228-F299 HydrophobicContact CG2-CD2 4.37Å; I228-F299 HydrophobicContact CG2-CG 4.15Å |
| 229 | H | 94.6 | Very high | 74.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -38.8 | -178.9 | -78.6 | -93.3 | 0 | 0 | 0 | 111.4 | M209 P251 Y252 M253 P254 Y266 R297 | M209-H229 HydrophobicContact CB-CB 4.21Å; M209-H229 HydrophobicContact CE-CB 4.06Å; M209-H229 HydrophobicContact CG-CB 3.86Å; M209-H229 PolarHBondContact O-N 3.13Å; M209-H229 HydrophobicContact SD-CB 3.69Å; H229-P251 VanDerWaalsContact O-O 3.11Å; H229-Y252 CarbonylContact O-C 3.53Å; H229-Y252 WeakPolarHBondContact O-CA 3.31Å; H229-M253 WeakPolarHBondContact CB-O 3.11Å; H229-M253 PolarHBondContact ND1-O 3.04Å; H229-M253 PolarHBondContact O-N 2.96Å; H229-P254 PolarHBondContact CE1-O 3.28Å; H229-P254 PolarHBondContact ND1-O 3.38Å; H229-Y266 AromaticContact CD2-CE1 3.83Å; H229-Y266 AromaticContact CE1-CE1 3.56Å; H229-Y266 AromaticContact ND1-CE1 3.94Å; H229-Y266 AromaticContact NE2-CE1 3.46Å; H229-Y266 WeakPolarHBondContact NE2-CE1 3.45Å; H229-R297 PolarHBondContact O-NH1 2.83Å |
| 230 | W | 95.2 | Very high | 74.8 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 143.4 | -174.8 | -165.6 | 34.8 | 0 | 0 | 0 | 111.4 | P191 P192 I194 L207 M209 V232 E248 I250 Y252 F268 | P191-W230 HydrophobicContact CB-CH2 4.47Å; P191-W230 HydrophobicContact CB-CZ2 4.38Å; P192-W230 HydrophobicContact CG-CZ3 3.93Å; I194-W230 HydrophobicContact CD1-CH2 3.44Å; I194-W230 VanDerWaalsContact CD1-CH2 3.44Å; I194-W230 HydrophobicContact CD1-CZ3 3.61Å; I194-W230 HydrophobicContact CG1-CH2 4.29Å; I194-W230 HydrophobicContact CG1-CZ3 4.2Å; L207-W230 HydrophobicContact CD2-CE3 3.99Å; L207-W230 HydrophobicContact CD2-CH2 4.47Å; L207-W230 HydrophobicContact CD2-CZ3 3.73Å; M209-W230 HydrophobicContact CB-CB 3.79Å; M209-W230 PolarHBondContact N-O 2.96Å; M209-W230 PolarHBondContact O-N 2.82Å; M209-W230 HydrophobicContact SD-CB 4.32Å; W230-V232 HydrophobicContact CD2-CG2 3.93Å; W230-V232 HydrophobicContact CG-CG2 4.37Å; W230-V232 HydrophobicContact CH2-CG2 4.31Å; W230-V232 HydrophobicContact CZ2-CG2 3.48Å; W230-V232 VanDerWaalsContact CZ2-CG2 3.48Å; W230-V232 VanDerWaalsContact NE1-CG2 3.33Å; W230-E248 PolarHBondContact NE1-OE1 2.83Å; W230-I250 VanDerWaalsContact CD1-O 3.22Å; W230-Y252 HydrophobicContact CB-CD2 3.92Å; W230-Y252 AromaticContact CD2-CD2 3.95Å; W230-Y252 HydrophobicContact CD2-CD2 3.95Å; W230-Y252 HydrophobicContact CE3-CD2 4.17Å; W230-Y252 AromaticContact CG-CD2 3.86Å; W230-Y252 HydrophobicContact CG-CD2 3.86Å; W230-F268 HydrophobicContact CE3-CE1 4.34Å |
| 231 | M | 95.1 | Very high | 74.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 120.3 | 174.5 | -171.8 | -176.7 | 178.5 | 0 | 0 | 110 | T206 L207 I228 T233 I249 I250 L280 F304 | T206-M231 HydrophobicContact CG2-CE 4.2Å; L207-M231 WeakPolarHBondContact O-CA 3.3Å; I228-M231 HydrophobicContact CD1-CB 4.22Å; I228-M231 HydrophobicContact CD1-SD 4.43Å; M231-T233 HydrophobicContact CE-CG2 3.9Å; M231-T233 HydrophobicContact CG-CG2 4.47Å; M231-I249 HydrophobicContact CG-CB 4.44Å; M231-I249 PolarHBondContact O-N 3.18Å; M231-I249 HydrophobicContact SD-CB 4.32Å; M231-I249 HydrophobicContact SD-CG2 4.23Å; M231-I250 HydrophobicContact CB-CB 3.75Å; M231-I250 HydrophobicContact CB-CD1 3.9Å; M231-I250 HydrophobicContact CB-CG1 3.84Å; M231-I250 PolarHBondContact N-O 2.99Å; M231-I250 PolarHBondContact O-N 2.88Å; M231-I250 HydrophobicContact SD-CD1 4Å; M231-I250 HydrophobicContact SD-CG1 4.33Å; M231-L280 HydrophobicContact CE-CB 4.33Å; M231-L280 HydrophobicContact CE-CD1 3.74Å; M231-F304 HydrophobicContact CE-CE2 3.49Å; M231-F304 VanDerWaalsContact CE-CE2 3.49Å; M231-F304 HydrophobicContact CE-CZ 3.5Å |
| 232 | V | 94.1 | Very high | 75.4 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.1 | 177.2 | -163.5 | 0 | 0 | 0 | 0 | 109.2 | T206 L207 W230 L235 D247 | T206-V232 CarbonylContact C-O 3.58Å; T206-V232 WeakPolarHBondContact CA-O 3.39Å; L207-V232 PolarHBondContact N-O 3.26Å; L207-V232 PolarHBondContact O-N 3.36Å; W230-V232 HydrophobicContact CD2-CG2 3.93Å; W230-V232 HydrophobicContact CG-CG2 4.37Å; W230-V232 HydrophobicContact CH2-CG2 4.31Å; W230-V232 HydrophobicContact CZ2-CG2 3.48Å; W230-V232 VanDerWaalsContact CZ2-CG2 3.48Å; W230-V232 VanDerWaalsContact NE1-CG2 3.33Å; V232-L235 HydrophobicContact CB-CD1 4.38Å; V232-L235 HydrophobicContact CB-CD2 4.1Å; V232-L235 HydrophobicContact CB-CG 4.38Å; V232-L235 HydrophobicContact CG1-CD2 3.55Å; V232-L235 HydrophobicContact CG1-CG 4.14Å; V232-D247 WeakPolarHBondContact CA-O 3.26Å; V232-D247 WeakPolarHBondContact CG1-O 3.49Å |
| 233 | T | 93.7 | Very high | 75.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 163.4 | -173.9 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | T206 M231 L235 G246 D247 I249 L280 | T206-T233 HydrophobicContact CG2-CG2 3.72Å; M231-T233 HydrophobicContact CE-CG2 3.9Å; M231-T233 HydrophobicContact CG-CG2 4.47Å; T233-L235 PolarHBondContact O-N 3.01Å; T233-G246 CarbonylContact O-C 3.56Å; T233-G246 WeakPolarHBondContact O-CA 3.48Å; T233-D247 PolarHBondContact N-O 3.09Å; T233-D247 PolarHBondContact O-N 3.13Å; T233-D247 PolarHBondContact OG1-O 2.65Å; T233-I249 HydrophobicContact CG2-CG1 3.56Å; T233-I249 WeakPolarHBondContact OG1-CG1 3.42Å; T233-L280 HydrophobicContact CG2-CB 4.08Å; T233-L280 HydrophobicContact CG2-CD1 3.38Å; T233-L280 HydrophobicContact CG2-CG 4.24Å |
| 234 | N | 92.5 | Very high | 76.5 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.043 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58 | 31.2 | 174.5 | -51.6 | -35 | 0 | 0 | 0 | 113.6 | Y204 W205 D247 Q273 K277 I278 | Y204-N234 HydrophobicContact CD1-CB 4.36Å; W205-N234 PolarHBondContact O-N 3.42Å; W205-N234 VanDerWaalsContact O-N 3.13Å; N234-D247 PolarHBondContact ND2-OD2 2.82Å; N234-Q273 PolarHBondContact OD1-NE2 3.03Å; N234-Q273 PolarHBondContact OD1-OE1 3.14Å; N234-K277 HydrophobicContact CB-CG 4.42Å; N234-I278 PolarHBondContact ND2-O 2.82Å; N234-I278 VanDerWaalsContact ND2-O 3.11Å; N234-I278 PolarHBondContact OD1-N 3.43Å; N234-I278 PolarHBondContact OD1-O 2.83Å |
| 235 | L | 91.4 | Very high | 77.4 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 131.8 | 177.1 | -66.3 | 168.7 | 0 | 0 | 0 | 110.1 | L196 Y204 W205 L207 V232 T233 V244 I245 | L196-L235 HydrophobicContact CD1-CB 4.17Å; Y204-L235 WeakPolarHBondContact CA-O 3.37Å; W205-L235 HydrophobicContact CB-CB 4.05Å; W205-L235 PolarHBondContact N-O 3.02Å; W205-L235 WeakPolarHBondContact O-CB 3.12Å; W205-L235 PolarHBondContact O-N 3.19Å; L207-L235 HydrophobicContact CB-CD1 3.54Å; V232-L235 HydrophobicContact CB-CD1 4.38Å; V232-L235 HydrophobicContact CB-CD2 4.1Å; V232-L235 HydrophobicContact CB-CG 4.38Å; V232-L235 HydrophobicContact CG1-CD2 3.55Å; V232-L235 HydrophobicContact CG1-CG 4.14Å; T233-L235 PolarHBondContact O-N 3.01Å; L235-V244 HydrophobicContact CB-CG1 3.68Å; L235-V244 HydrophobicContact CD2-CB 3.88Å; L235-V244 HydrophobicContact CD2-CG1 3.29Å; L235-V244 HydrophobicContact CG-CG1 3.99Å; L235-I245 WeakPolarHBondContact CA-O 3.43Å |
| 236 | Q | 84.6 | Confident | 78.1 | Confident | 85 Ų | 85 | 43.2 Ų | 43.2 | 40% | 0.397 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 139.8 | 172.5 | -70.8 | -174.4 | -28.7 | 0 | 0 | 111 | Y204 I238 V244 I245 | Y204-Q236 HydrophobicContact CD1-CG 3.56Å; Y204-Q236 VanDerWaalsContact CE1-CD 3.48Å; Y204-Q236 HydrophobicContact CE1-CG 3.49Å; Y204-Q236 VanDerWaalsContact CE1-CG 3.49Å; Y204-Q236 PolarHBondContact OH-NE2 3.47Å; Q236-I238 PolarHBondContact O-N 3.29Å; Q236-V244 WeakPolarHBondContact O-CG1 3.25Å; Q236-I245 PolarHBondContact N-O 2.86Å |
| 237 | S | 72.1 | Confident | 78.1 | Confident | 22 Ų | 22 | 47 Ų | 47 | 15% | 0.154 | 28% | 0.279 | C | S | . | . | trans | -72 | 114.9 | 170.4 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | L196 N201 | L196-S237 PolarHBondContact O-OG 3.19Å; N201-S237 VanDerWaalsContact OD1-CB 3.31Å; N201-S237 WeakPolarHBondContact OD1-CB 3.34Å; N201-S237 PolarHBondContact OD1-OG 2.95Å | ||
| 238 | I | 66.7 | Low | 78.1 | Confident | 65 Ų | 65 | 51 Ų | 51 | 33% | 0.333 | 30% | 0.298 | S | S | . | . | trans | -97.8 | 117.3 | 175.6 | -58.3 | 173.4 | 0 | 0 | 0 | 107.2 | Q236 E240 I245 | Q236-I238 PolarHBondContact O-N 3.29Å; I238-E240 PolarHBondContact O-N 2.77Å; I238-I245 HydrophobicContact CD1-CB 4.07Å; I238-I245 HydrophobicContact CD1-CD1 3.38Å; I238-I245 HydrophobicContact CD1-CG1 3.47Å; I238-I245 VanDerWaalsContact CD1-CG1 3.47Å | ||
| 239 | S | 55.6 | Low | 78 | Confident | 104 Ų | 104 | 51.2 Ų | 51.2 | 73% | 0.727 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.9 | -176.7 | 44.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 240 | E | 49.4 | Very low | 77.9 | Confident | 188 Ų | 188 | 51.2 Ų | 51.2 | 88% | 0.879 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | 14.2 | -169.8 | -62.2 | -172.3 | 172.7 | 0 | 0 | 114.4 | I238 | I238-E240 PolarHBondContact O-N 2.77Š|
| 241 | G | 46.2 | Very low | 77.8 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | trans | -146.6 | 134.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G243 | G241-G243 PolarHBondContact O-N 2.83Š| ||
| 242 | V | 53.6 | Low | 77.8 | Confident | 125 Ų | 125 | 52.6 Ų | 52.6 | 76% | 0.758 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -74.2 | 58.2 | 174.3 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | F193 | F193-V242 HydrophobicContact CD1-CG1 4.01Å; F193-V242 HydrophobicContact CD2-CG1 4.17Å; F193-V242 HydrophobicContact CE1-CG1 3.34Å; F193-V242 HydrophobicContact CE2-CB 4.3Å; F193-V242 HydrophobicContact CE2-CG1 3.61Å; F193-V242 WeakPolarHBondContact CE2-O 3.42Å; F193-V242 HydrophobicContact CG-CG1 4.39Å; F193-V242 HydrophobicContact CZ-CB 3.95Å; F193-V242 HydrophobicContact CZ-CG1 3.14Å |
| 243 | G | 54.5 | Low | 77.7 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 36% | 0.361 | 30% | 0.304 | S | S | . | . | trans | -164.2 | 136.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111 | G241 | G241-G243 PolarHBondContact O-N 2.83Š| ||
| 244 | V | 66.4 | Low | 77.8 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | trans | -101.7 | 126.5 | 173 | -158.6 | 0 | 0 | 0 | 0 | 108.4 | I194 L196 L235 Q236 | I194-V244 HydrophobicContact CB-CG2 3.96Å; I194-V244 HydrophobicContact CG2-CG2 4.37Å; I194-V244 WeakPolarHBondContact O-CG2 3.15Å; L196-V244 HydrophobicContact CD1-CG1 3.78Å; L196-V244 HydrophobicContact CD1-CG2 4.27Å; L196-V244 HydrophobicContact CG-CG2 4.45Å; L235-V244 HydrophobicContact CB-CG1 3.68Å; L235-V244 HydrophobicContact CD2-CB 3.88Å; L235-V244 HydrophobicContact CD2-CG1 3.29Å; L235-V244 HydrophobicContact CG-CG1 3.99Å; Q236-V244 WeakPolarHBondContact O-CG1 3.25Å | ||
| 245 | I | 74.4 | Confident | 77.9 | Confident | 123 Ų | 123 | 52.1 Ų | 52.1 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 122.7 | 171.1 | -62.2 | 171.9 | 0 | 0 | 0 | 107 | L235 Q236 I238 | L235-I245 WeakPolarHBondContact CA-O 3.43Å; Q236-I245 PolarHBondContact N-O 2.86Å; I238-I245 HydrophobicContact CD1-CB 4.07Å; I238-I245 HydrophobicContact CD1-CD1 3.38Å; I238-I245 HydrophobicContact CD1-CG1 3.47Å; I238-I245 VanDerWaalsContact CD1-CG1 3.47Å |
| 246 | G | 84.2 | Confident | 78 | Confident | 28 Ų | 28 | 52 Ų | 52 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 167.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T233 | T233-G246 CarbonylContact O-C 3.56Å; T233-G246 WeakPolarHBondContact O-CA 3.48Å |
| 247 | D | 89.3 | Confident | 78.4 | Confident | 83 Ų | 83 | 48 Ų | 48 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 114.1 | 179.3 | -58.4 | -43.5 | 0 | 0 | 0 | 108.8 | V232 T233 N234 I249 | V232-D247 WeakPolarHBondContact CA-O 3.26Å; V232-D247 WeakPolarHBondContact CG1-O 3.49Å; T233-D247 PolarHBondContact N-O 3.09Å; T233-D247 PolarHBondContact O-N 3.13Å; T233-D247 PolarHBondContact OG1-O 2.65Å; N234-D247 PolarHBondContact ND2-OD2 2.82Å; D247-I249 PolarHBondContact O-N 2.93Å |
| 248 | E | 91.4 | Very high | 79.4 | Confident | 92 Ų | 92 | 47.7 Ų | 47.7 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 112 | 175.8 | -169.8 | 172.6 | -147.1 | 0 | 0 | 109.7 | W230 P251 Y252 R284 | W230-E248 PolarHBondContact NE1-OE1 2.83Å; E248-P251 VanDerWaalsContact OE1-CA 3.3Å; E248-P251 WeakPolarHBondContact OE1-CA 3.41Å; E248-Y252 PolarHBondContact OE1-N 3.25Å; E248-Y252 VanDerWaalsContact OE1-N 3.17Å; E248-R284 PolarHBondContact O-NH2 2.9Å |
| 249 | I | 92.8 | Very high | 80.7 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -41.9 | 179.7 | -58.2 | -60.9 | 0 | 0 | 0 | 110.3 | M231 T233 D247 L280 W283 R284 K285 | M231-I249 HydrophobicContact CG-CB 4.44Å; M231-I249 PolarHBondContact O-N 3.18Å; M231-I249 HydrophobicContact SD-CB 4.32Å; M231-I249 HydrophobicContact SD-CG2 4.23Å; T233-I249 HydrophobicContact CG2-CG1 3.56Å; T233-I249 WeakPolarHBondContact OG1-CG1 3.42Å; D247-I249 PolarHBondContact O-N 2.93Å; I249-L280 HydrophobicContact CD1-CB 4.48Å; I249-L280 HydrophobicContact CG1-CB 4.34Å; I249-W283 HydrophobicContact CG2-CB 4.38Å; I249-R284 HydrophobicContact CG2-CB 4.1Å; I249-R284 WeakPolarHBondContact O-CA 3.34Å; I249-K285 PolarHBondContact O-N 2.77Å |
| 250 | I | 93.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 119.8 | 177.1 | -56.9 | 178.7 | 0 | 0 | 0 | 107.4 | I228 W230 M231 K285 R297 | I228-I250 HydrophobicContact CB-CD1 4.39Å; I228-I250 HydrophobicContact CD1-CD1 3.56Å; I228-I250 HydrophobicContact CG1-CD1 3.87Å; I228-I250 HydrophobicContact CG2-CD1 3.65Å; I228-I250 HydrophobicContact CG2-CG2 4.37Å; W230-I250 VanDerWaalsContact CD1-O 3.22Å; M231-I250 HydrophobicContact CB-CB 3.75Å; M231-I250 HydrophobicContact CB-CD1 3.9Å; M231-I250 HydrophobicContact CB-CG1 3.84Å; M231-I250 PolarHBondContact N-O 2.99Å; M231-I250 PolarHBondContact O-N 2.88Å; M231-I250 HydrophobicContact SD-CD1 4Å; M231-I250 HydrophobicContact SD-CG1 4.33Å; I250-K285 HydrophobicContact CD1-CD 3.86Å; I250-K285 HydrophobicContact CG1-CB 4.17Å; I250-K285 HydrophobicContact CG1-CD 4.38Å; I250-K285 HydrophobicContact CG2-CB 4.4Å; I250-R297 VanDerWaalsContact CG2-NH1 3.29Å |
| 251 | P | 93.3 | Very high | 84.5 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 16% | 0.156 | 23% | 0.234 | C | C | . | . | trans | -67.3 | 145.2 | -176.6 | 26.5 | -32.6 | 0 | 0 | 0 | 111.8 | H229 E248 M253 K285 N287 R297 | H229-P251 VanDerWaalsContact O-O 3.11Å; E248-P251 VanDerWaalsContact OE1-CA 3.3Å; E248-P251 WeakPolarHBondContact OE1-CA 3.41Å; P251-M253 PolarHBondContact O-N 2.74Å; P251-K285 WeakPolarHBondContact CD-O 3.3Å; P251-N287 WeakPolarHBondContact CB-OD1 3.42Å; P251-N287 WeakPolarHBondContact CG-OD1 3.45Å; P251-R297 PolarHBondContact O-NH1 2.8Å; P251-R297 VanDerWaalsContact O-NH1 3.1Å; P251-R297 PolarHBondContact O-NH2 3.26Å | ||
| 252 | Y | 94.2 | Very high | 86.7 | Confident | 26 Ų | 26 | 37.2 Ų | 37.2 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | trans | -54.6 | 127.8 | -179.8 | -177.5 | -99 | 0 | 0 | 0 | 112.2 | Y151 A188 N190 P191 M209 H229 W230 E248 P254 | Y151-Y252 WeakPolarHBondContact CE1-OH 3.28Å; Y151-Y252 PolarHBondContact OH-OH 3.47Å; A188-Y252 PolarHBondContact O-OH 2.98Å; N190-Y252 VanDerWaalsContact C-CE1 3.48Å; P191-Y252 HydrophobicContact CB-CD1 4.1Å; P191-Y252 HydrophobicContact CB-CD2 4.03Å; P191-Y252 HydrophobicContact CB-CG 3.77Å; M209-Y252 HydrophobicContact CE-CE2 4.33Å; M209-Y252 HydrophobicContact SD-CD2 4.37Å; M209-Y252 HydrophobicContact SD-CE2 3.72Å; H229-Y252 CarbonylContact O-C 3.53Å; H229-Y252 WeakPolarHBondContact O-CA 3.31Å; W230-Y252 HydrophobicContact CB-CD2 3.92Å; W230-Y252 AromaticContact CD2-CD2 3.95Å; W230-Y252 HydrophobicContact CD2-CD2 3.95Å; W230-Y252 HydrophobicContact CE3-CD2 4.17Å; W230-Y252 AromaticContact CG-CD2 3.86Å; W230-Y252 HydrophobicContact CG-CD2 3.86Å; E248-Y252 PolarHBondContact OE1-N 3.25Å; E248-Y252 VanDerWaalsContact OE1-N 3.17Å; Y252-P254 HydrophobicContact CE1-CB 4.16Å | ||
| 253 | M | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -117 | 126.5 | 170 | 178.8 | -175.1 | 174.9 | 0 | 0 | 108.5 | H229 P251 I256 P288 L293 R297 Y331 | H229-M253 WeakPolarHBondContact CB-O 3.11Å; H229-M253 PolarHBondContact ND1-O 3.04Å; H229-M253 PolarHBondContact O-N 2.96Å; P251-M253 PolarHBondContact O-N 2.74Å; M253-I256 HydrophobicContact CE-CD1 3.23Å; M253-I256 HydrophobicContact CE-CG1 3.64Å; M253-I256 HydrophobicContact CE-CG2 4.13Å; M253-P288 HydrophobicContact SD-CG 4.43Å; M253-L293 HydrophobicContact CE-CD1 3.56Å; M253-L293 HydrophobicContact CE-CD2 4.3Å; M253-L293 HydrophobicContact SD-CD1 3.94Å; M253-R297 HydrophobicContact SD-CG 3.97Å; M253-Y331 HydrophobicContact CE-CE1 4.11Å | ||
| 254 | P | 94.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | trans | -63.5 | 159.4 | 179.1 | 29.6 | -36 | 0 | 0 | 0 | 111.5 | M189 H229 Y252 I256 Y331 | M189-P254 HydrophobicContact SD-CB 4.04Å; M189-P254 HydrophobicContact SD-CG 4.23Å; H229-P254 PolarHBondContact CE1-O 3.28Å; H229-P254 PolarHBondContact ND1-O 3.38Å; Y252-P254 HydrophobicContact CE1-CB 4.16Å; P254-I256 PolarHBondContact O-N 2.8Å; P254-Y331 HydrophobicContact CG-CD2 3.57Å; P254-Y331 HydrophobicContact CG-CE1 4.4Å; P254-Y331 HydrophobicContact CG-CE2 3.31Å; P254-Y331 HydrophobicContact CG-CG 4.23Å | ||
| 255 | P | 94.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | trans | -62.5 | 134.1 | 172.7 | 27.7 | -34.2 | 0 | 0 | 0 | 110.6 | A185 A188 Y266 | A185-P255 HydrophobicContact CB-CG 4.25Å; A188-P255 HydrophobicContact CB-CG 3.5Å; A188-P255 VanDerWaalsContact CB-CG 3.5Å; A188-P255 VanDerWaalsContact O-CD 3.28Å; A188-P255 WeakPolarHBondContact O-CD 3.27Å; P255-Y266 VanDerWaalsContact CA-CE1 3.45Å; P255-Y266 VanDerWaalsContact CA-CZ 3.49Å; P255-Y266 VanDerWaalsContact CA-OH 3.31Å; P255-Y266 WeakPolarHBondContact CA-OH 3.24Å; P255-Y266 HydrophobicContact CB-CD1 3.92Å; P255-Y266 HydrophobicContact CB-CD2 4.08Å; P255-Y266 HydrophobicContact CB-CE1 3.36Å; P255-Y266 HydrophobicContact CB-CE2 3.62Å; P255-Y266 HydrophobicContact CB-CG 4.22Å; P255-Y266 WeakPolarHBondContact CB-OH 3.47Å | ||
| 256 | I | 93.2 | Very high | 93 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | trans | -128 | 52.9 | -177.2 | 52.7 | 152.5 | 0 | 0 | 0 | 112.5 | E214 M253 P254 Y258 Y266 L293 V328 Y331 F332 | E214-I256 WeakPolarHBondContact OE2-CG1 3.49Å; M253-I256 HydrophobicContact CE-CD1 3.23Å; M253-I256 HydrophobicContact CE-CG1 3.64Å; M253-I256 HydrophobicContact CE-CG2 4.13Å; P254-I256 PolarHBondContact O-N 2.8Å; I256-Y258 HydrophobicContact CD1-CE1 4.29Å; I256-Y258 WeakPolarHBondContact O-CD1 3.34Å; I256-Y258 PolarHBondContact O-N 2.77Å; I256-Y266 PolarHBondContact N-OH 2.81Å; I256-L293 HydrophobicContact CD1-CD2 3.76Å; I256-V328 HydrophobicContact CB-CG1 4.11Å; I256-V328 HydrophobicContact CG2-CG1 4.4Å; I256-Y331 HydrophobicContact CG2-CD1 3.63Å; I256-Y331 HydrophobicContact CG2-CE1 4.02Å; I256-Y331 HydrophobicContact CG2-CG 4.31Å; I256-F332 HydrophobicContact CB-CE2 4.16Å; I256-F332 HydrophobicContact CB-CZ 4.47Å; I256-F332 HydrophobicContact CD1-CZ 4.01Å | ||
| 257 | P | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -57.3 | 127.9 | 178.2 | 25.5 | -34.6 | 0 | 0 | 0 | 111.3 | H264 V323 W324 V328 | P257-H264 HydrophobicContact CB-CB 4.17Å; P257-V323 WeakPolarHBondContact CG-O 3.33Å; P257-W324 VanDerWaalsContact O-CD1 3.31Å; P257-V328 HydrophobicContact CG-CG2 4.26Å |
| 258 | Y | 92.4 | Very high | 94 | Very high | 16 Ų | 16 | 25 Ų | 25 | 6% | 0.063 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 149.5 | -176.1 | -52.2 | -32.7 | 0 | 0 | 0 | 112.1 | E214 I216 I256 G260 T261 F332 P341 F343 | E214-Y258 HydrophobicContact CG-CE2 4.49Å; I216-Y258 HydrophobicContact CB-CD2 4.43Å; I216-Y258 HydrophobicContact CB-CE2 4.3Å; I216-Y258 HydrophobicContact CD1-CD2 3.93Å; I216-Y258 HydrophobicContact CD1-CE2 4.4Å; I216-Y258 HydrophobicContact CG1-CD2 4.46Å; I216-Y258 HydrophobicContact CG1-CE2 4.46Å; I256-Y258 HydrophobicContact CD1-CE1 4.29Å; I256-Y258 WeakPolarHBondContact O-CD1 3.34Å; I256-Y258 PolarHBondContact O-N 2.77Å; Y258-G260 PolarHBondContact O-N 2.83Å; Y258-T261 HydrophobicContact CD2-CG2 4.35Å; Y258-T261 PolarHBondContact O-N 3.28Å; Y258-T261 PolarHBondContact O-OG1 3.47Å; Y258-F332 HydrophobicContact CD1-CE2 4.29Å; Y258-F332 HydrophobicContact CD1-CZ 4.03Å; Y258-F332 HydrophobicContact CE1-CE2 4.42Å; Y258-F332 AromaticContact CE1-CZ 3.75Å; Y258-F332 HydrophobicContact CE1-CZ 3.75Å; Y258-P341 HydrophobicContact CD1-CG 3.69Å; Y258-P341 HydrophobicContact CD2-CG 4.15Å; Y258-P341 HydrophobicContact CE1-CG 3.96Å; Y258-P341 HydrophobicContact CE2-CG 4.35Å; Y258-P341 HydrophobicContact CG-CG 3.81Å; Y258-F343 HydrophobicContact CD2-CD2 4.21Å; Y258-F343 AromaticContact CD2-CE2 3.37Å; Y258-F343 HydrophobicContact CD2-CE2 3.37Å; Y258-F343 HydrophobicContact CD2-CZ 4.04Å; Y258-F343 HydrophobicContact CE2-CE2 4.26Å; Y258-F343 HydrophobicContact CG-CD2 4.4Å; Y258-F343 AromaticContact CG-CE2 3.83Å; Y258-F343 HydrophobicContact CG-CE2 3.83Å |
| 259 | Q | 94.4 | Very high | 94.2 | Very high | 63 Ų | 63 | 20.7 Ų | 20.7 | 29% | 0.294 | 11% | 0.114 | S | C | . | . | B | Isolated β-bridge | trans | -62.3 | 127.9 | -179.9 | -165.8 | 173.9 | 21.8 | 0 | 0 | 110.6 | W324 V342 F343 | Q259-W324 HydrophobicContact CB-CD2 4.05Å; Q259-W324 HydrophobicContact CB-CG 3.9Å; Q259-W324 HydrophobicContact CG-CD2 3.85Å; Q259-W324 HydrophobicContact CG-CE3 4.23Å; Q259-W324 HydrophobicContact CG-CG 4.15Å; Q259-W324 HydrophobicContact CG-CZ2 4.33Å; Q259-V342 HydrophobicContact CB-CG1 4.23Å; Q259-V342 HydrophobicContact CB-CG2 4.36Å; Q259-V342 HydrophobicContact CG-CG1 4.32Å; Q259-F343 WeakPolarHBondContact O-CB 3.34Å; Q259-F343 PolarHBondContact O-N 3.07Å |
| 260 | G | 91.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 20.5 Ų | 20.5 | 40% | 0.402 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 4.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y258 F343 | Y258-G260 PolarHBondContact O-N 2.83Å; G260-F343 WeakPolarHBondContact CA-O 3.44Å |
| 261 | T | 92.2 | Very high | 94.5 | Very high | 41 Ų | 41 | 20.5 Ų | 20.5 | 25% | 0.252 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -87.5 | -21.8 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | I216 Y258 H264 F343 | I216-T261 HydrophobicContact CD1-CG2 3.38Å; Y258-T261 HydrophobicContact CD2-CG2 4.35Å; Y258-T261 PolarHBondContact O-N 3.28Å; Y258-T261 PolarHBondContact O-OG1 3.47Å; T261-H264 WeakPolarHBondContact CB-NE2 3.38Å; T261-H264 PolarHBondContact OG1-NE2 2.84Å; T261-F343 HydrophobicContact CG2-CB 3.94Å; T261-F343 HydrophobicContact CG2-CD2 3.39Å; T261-F343 HydrophobicContact CG2-CE2 4.03Å; T261-F343 HydrophobicContact CG2-CG 3.72Å |
| 262 | G | 92.5 | Very high | 94.6 | Very high | 34 Ų | 34 | 21.9 Ų | 21.9 | 35% | 0.351 | 12% | 0.115 | S | C | . | . | trans | 102.5 | -131.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 263 | Y | 94.7 | Very high | 94.6 | Very high | 141 Ų | 141 | 20.7 Ų | 20.7 | 55% | 0.553 | 11% | 0.111 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125 | -176.5 | -60.6 | -85.9 | 0 | 0 | 0 | 110.1 | L182 S322 V323 | L182-Y263 HydrophobicContact CD1-CD1 3.99Å; L182-Y263 HydrophobicContact CD1-CE1 3.48Å; L182-Y263 VanDerWaalsContact CD1-CE1 3.48Å; Y263-S322 WeakPolarHBondContact CA-O 3.34Å; Y263-V323 HydrophobicContact CD1-CG2 3.15Å; Y263-V323 HydrophobicContact CE1-CG2 3.15Å; Y263-V323 HydrophobicContact CG-CG2 4.1Å |
| 264 | H | 95.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 2% | 0.023 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 139.7 | 174.8 | -71.7 | -166.3 | 0 | 0 | 0 | 110.4 | D213 E214 P257 T261 Y266 Q321 S322 | D213-H264 HydrophobicContact CB-CB 4.4Å; D213-H264 WeakPolarHBondContact OD2-CA 3.44Å; E214-H264 WeakPolarHBondContact CG-ND1 3.37Å; E214-H264 IonicContact OE1-CE1 3.86Å; E214-H264 PolarHBondContact OE1-CE1 3.16Å; E214-H264 IonicContact OE1-CG 3.87Å; E214-H264 IonicContact OE1-ND1 2.78Å; E214-H264 PolarHBondContact OE1-ND1 3Å; P257-H264 HydrophobicContact CB-CB 4.17Å; T261-H264 WeakPolarHBondContact CB-NE2 3.38Å; T261-H264 PolarHBondContact OG1-NE2 2.84Å; H264-Y266 HydrophobicContact CB-CD2 4.47Å; H264-Y266 HydrophobicContact CB-CE2 3.69Å; H264-Q321 CarbonylContact O-C 3.54Å; H264-Q321 VanDerWaalsContact O-CA 3.3Å; H264-Q321 WeakPolarHBondContact O-CA 3.48Å; H264-S322 PolarHBondContact N-O 3.27Å; H264-S322 PolarHBondContact O-N 2.89Å |
| 265 | R | 95.6 | Very high | 94.2 | Very high | 32 Ų | 32 | 30 Ų | 30 | 12% | 0.121 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.7 | -178.5 | -59.8 | 172.9 | -66 | 150 | 9.1 | 109.7 | Y128 P212 D213 I267 | Y128-R265 PolarHBondContact O-NH1 3.42Å; P212-R265 WeakPolarHBondContact CD-O 3.36Å; D213-R265 IonicContact OD1-CZ 3.77Å; D213-R265 IonicContact OD1-NE 3.5Å; D213-R265 PolarHBondContact OD1-NE 3.36Å; D213-R265 IonicContact OD1-NH2 3.66Å; D213-R265 PolarHBondContact OD1-NH2 3.4Å; D213-R265 WeakPolarHBondContact OD2-CB 2.89Å; D213-R265 WeakPolarHBondContact OD2-CG 3.34Å; D213-R265 PolarHBondContact OD2-N 2.79Å; D213-R265 IonicContact OD2-NE 2.7Å; D213-R265 PolarHBondContact OD2-NE 2.86Å; R265-I267 HydrophobicContact CB-CG1 4.44Å |
| 266 | Y | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.3 | 175.8 | -72.3 | -91.1 | 0 | 0 | 0 | 108.9 | M209 C211 E214 H229 P255 I256 H264 F319 F320 S322 | M209-Y266 HydrophobicContact CE-CD1 3.64Å; M209-Y266 HydrophobicContact CE-CE1 4.49Å; M209-Y266 HydrophobicContact CE-CG 4.22Å; C211-Y266 HydrophobicContact CB-CD1 4.15Å; C211-Y266 HydrophobicContact CB-CE1 3.93Å; E214-Y266 PolarHBondContact OE1-OH 2.67Å; E214-Y266 VanDerWaalsContact OE1-OH 3.05Å; H229-Y266 AromaticContact CD2-CE1 3.83Å; H229-Y266 AromaticContact CE1-CE1 3.56Å; H229-Y266 AromaticContact ND1-CE1 3.94Å; H229-Y266 AromaticContact NE2-CE1 3.46Å; H229-Y266 WeakPolarHBondContact NE2-CE1 3.45Å; P255-Y266 VanDerWaalsContact CA-CE1 3.45Å; P255-Y266 VanDerWaalsContact CA-CZ 3.49Å; P255-Y266 VanDerWaalsContact CA-OH 3.31Å; P255-Y266 WeakPolarHBondContact CA-OH 3.24Å; P255-Y266 HydrophobicContact CB-CD1 3.92Å; P255-Y266 HydrophobicContact CB-CD2 4.08Å; P255-Y266 HydrophobicContact CB-CE1 3.36Å; P255-Y266 HydrophobicContact CB-CE2 3.62Å; P255-Y266 HydrophobicContact CB-CG 4.22Å; P255-Y266 WeakPolarHBondContact CB-OH 3.47Å; I256-Y266 PolarHBondContact N-OH 2.81Å; H264-Y266 HydrophobicContact CB-CD2 4.47Å; H264-Y266 HydrophobicContact CB-CE2 3.69Å; Y266-F319 CarbonylContact O-C 3.58Å; Y266-F319 WeakPolarHBondContact O-CA 3.16Å; Y266-F319 VanDerWaalsContact O-CB 3.25Å; Y266-F319 WeakPolarHBondContact O-CB 3.19Å; Y266-F320 VanDerWaalsContact CB-CE1 3.48Å; Y266-F320 VanDerWaalsContact CB-CZ 3.48Å; Y266-F320 HydrophobicContact CD2-CE2 4.04Å; Y266-F320 HydrophobicContact CD2-CZ 4.29Å; Y266-F320 HydrophobicContact CG-CE1 4.32Å; Y266-F320 HydrophobicContact CG-CE2 4.05Å; Y266-F320 AromaticContact CG-CZ 3.83Å; Y266-F320 HydrophobicContact CG-CZ 3.83Å; Y266-F320 PolarHBondContact N-O 2.74Å; Y266-F320 PolarHBondContact O-N 3.44Å; Y266-S322 WeakPolarHBondContact CD2-OG 3.08Å; Y266-S322 WeakPolarHBondContact CE2-OG 3.46Å |
| 267 | I | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.1 | -165.1 | -54.2 | 165.2 | 0 | 0 | 0 | 109.4 | I130 L134 M209 T210 P212 R265 I269 L317 F319 | I130-I267 HydrophobicContact CB-CD1 4.36Å; I130-I267 HydrophobicContact CD1-CD1 4.36Å; I130-I267 HydrophobicContact CD1-CG1 4.37Å; I130-I267 HydrophobicContact CG1-CD1 3.92Å; I130-I267 HydrophobicContact CG1-CG1 4.45Å; I130-I267 HydrophobicContact CG2-CD1 3.91Å; I130-I267 HydrophobicContact CG2-CG2 4.18Å; L134-I267 HydrophobicContact CD1-CD1 4.05Å; L134-I267 HydrophobicContact CD1-CG2 3.95Å; L134-I267 HydrophobicContact CD2-CD1 4.22Å; L134-I267 HydrophobicContact CG-CD1 4.28Å; M209-I267 CarbonylContact C-O 3.57Å; M209-I267 VanDerWaalsContact CA-O 3.27Å; M209-I267 WeakPolarHBondContact CA-O 3.42Å; T210-I267 PolarHBondContact N-O 2.81Å; T210-I267 PolarHBondContact O-N 3.13Å; P212-I267 HydrophobicContact CG-CD1 3.68Å; R265-I267 HydrophobicContact CB-CG1 4.44Å; I267-I269 HydrophobicContact CG2-CG1 4.17Å; I267-L317 HydrophobicContact CG2-CD1 3.54Å; I267-F319 HydrophobicContact CB-CB 4.24Å; I267-F319 HydrophobicContact CG1-CB 3.98Å; I267-F319 HydrophobicContact CG2-CB 4.28Å |
| 268 | F | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 121.7 | 170.7 | -64.1 | -84.7 | 0 | 0 | 0 | 110.2 | F147 I149 V177 P192 L207 L208 M209 W230 L317 A318 F320 | F147-F268 HydrophobicContact CE2-CB 4.16Å; F147-F268 HydrophobicContact CZ-CB 4.01Å; I149-F268 HydrophobicContact CD1-CB 3.57Å; I149-F268 HydrophobicContact CD1-CD1 3.78Å; I149-F268 HydrophobicContact CD1-CD2 3.24Å; I149-F268 HydrophobicContact CD1-CE1 4.21Å; I149-F268 HydrophobicContact CD1-CE2 3.7Å; I149-F268 HydrophobicContact CD1-CG 3.26Å; I149-F268 HydrophobicContact CD1-CZ 4.18Å; I149-F268 HydrophobicContact CG2-CE2 4.29Å; I149-F268 HydrophobicContact CG2-CZ 4.27Å; V177-F268 HydrophobicContact CG1-CD2 4.49Å; V177-F268 HydrophobicContact CG1-CE2 4.47Å; P192-F268 HydrophobicContact CG-CE1 4.35Å; P192-F268 HydrophobicContact CG-CZ 4.13Å; L207-F268 HydrophobicContact CD1-CB 4.2Å; L207-F268 HydrophobicContact CD1-CD1 4.24Å; L207-F268 HydrophobicContact CD2-CD1 4.33Å; L207-F268 HydrophobicContact CG-CD1 4.43Å; L208-F268 CarbonylContact O-C 3.55Å; L208-F268 VanDerWaalsContact O-CA 3.26Å; L208-F268 WeakPolarHBondContact O-CA 3.34Å; M209-F268 HydrophobicContact CB-CD1 3.7Å; M209-F268 HydrophobicContact CB-CE1 3.6Å; M209-F268 HydrophobicContact CB-CZ 4.44Å; M209-F268 HydrophobicContact CE-CZ 4.02Å; M209-F268 HydrophobicContact CG-CD1 3.83Å; M209-F268 HydrophobicContact CG-CE1 3.43Å; M209-F268 VanDerWaalsContact CG-CE1 3.43Å; M209-F268 HydrophobicContact CG-CE2 4.45Å; M209-F268 HydrophobicContact CG-CG 4.48Å; M209-F268 HydrophobicContact CG-CZ 3.79Å; M209-F268 HydrophobicContact SD-CD1 4.46Å; M209-F268 HydrophobicContact SD-CE1 3.49Å; M209-F268 WeakPolarHBondContact SD-CE1 3.49Å; M209-F268 HydrophobicContact SD-CZ 3.55Å; M209-F268 VanDerWaalsContact SD-CZ 3.55Å; W230-F268 HydrophobicContact CE3-CE1 4.34Å; F268-L317 WeakPolarHBondContact O-CA 3.43Å; F268-A318 WeakPolarHBondContact CA-O 3.21Å; F268-A318 HydrophobicContact CB-CB 4.39Å; F268-A318 WeakPolarHBondContact CB-O 3.5Å; F268-A318 PolarHBondContact N-O 3.33Å; F268-A318 PolarHBondContact O-N 2.66Å; F268-A318 VanDerWaalsContact O-O 3.11Å; F268-F320 AromaticContact CE2-CD1 3.84Å; F268-F320 HydrophobicContact CE2-CD1 3.84Å; F268-F320 AromaticContact CE2-CE1 3.56Å; F268-F320 HydrophobicContact CE2-CE1 3.56Å; F268-F320 HydrophobicContact CZ-CE1 4.12Å |
| 269 | I | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.4 | 174 | -47.1 | 174 | 0 | 0 | 0 | 107.8 | L134 F135 F141 L208 I267 Y271 T301 P314 L317 | L134-I269 HydrophobicContact CD1-CD1 3.62Å; L134-I269 HydrophobicContact CD1-CG1 4.25Å; F135-I269 HydrophobicContact CZ-CD1 4.11Å; F141-I269 HydrophobicContact CZ-CG2 4.45Å; L208-I269 HydrophobicContact CD2-CB 4.35Å; L208-I269 HydrophobicContact CD2-CD1 3.79Å; L208-I269 HydrophobicContact CD2-CG1 4.15Å; L208-I269 PolarHBondContact N-O 2.89Å; L208-I269 PolarHBondContact O-N 3.2Å; I267-I269 HydrophobicContact CG2-CG1 4.17Å; I269-Y271 HydrophobicContact CB-CD2 4.43Å; I269-Y271 HydrophobicContact CB-CE2 3.87Å; I269-Y271 HydrophobicContact CD1-CE2 4.46Å; I269-Y271 HydrophobicContact CG2-CD2 3.98Å; I269-Y271 HydrophobicContact CG2-CE1 4.08Å; I269-Y271 HydrophobicContact CG2-CE2 3.51Å; I269-Y271 HydrophobicContact CG2-CG 4.46Å; I269-T301 HydrophobicContact CD1-CG2 4.11Å; I269-P314 HydrophobicContact CG2-CB 4.46Å; I269-L317 HydrophobicContact CG1-CD1 4.31Å |
| 270 | L | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 114.9 | 172.4 | -170 | 73.7 | 0 | 0 | 0 | 108.7 | V145 F147 L196 W205 L207 A315 G316 | V145-L270 HydrophobicContact CG1-CD2 4.04Å; F147-L270 HydrophobicContact CB-CD2 4.23Å; F147-L270 HydrophobicContact CD1-CB 4.06Å; F147-L270 HydrophobicContact CD1-CD2 3.95Å; F147-L270 HydrophobicContact CE1-CB 3.77Å; F147-L270 HydrophobicContact CE2-CB 4.45Å; F147-L270 HydrophobicContact CG-CD2 4.06Å; F147-L270 HydrophobicContact CZ-CB 3.99Å; L196-L270 HydrophobicContact CD2-CD1 4.06Å; L196-L270 HydrophobicContact CD2-CD2 3.82Å; W205-L270 HydrophobicContact CB-CD1 3.86Å; W205-L270 HydrophobicContact CB-CG 4.41Å; W205-L270 HydrophobicContact CD2-CD2 4.28Å; W205-L270 HydrophobicContact CD2-CG 4.47Å; W205-L270 HydrophobicContact CE3-CD2 3.79Å; W205-L270 HydrophobicContact CE3-CG 3.85Å; W205-L270 HydrophobicContact CZ3-CD2 4.28Å; L207-L270 HydrophobicContact CB-CD1 4.41Å; L207-L270 HydrophobicContact CD1-CD1 4.22Å; L270-A315 PolarHBondContact O-N 3.39Å; L270-G316 PolarHBondContact N-O 3.14Å; L270-G316 PolarHBondContact O-N 3.44Å |
| 271 | Y | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 137.3 | 174.2 | -66.1 | -83 | 0 | 0 | 0 | 110.5 | W205 T206 L208 I269 F304 Y305 I312 T313 P314 | W205-Y271 CarbonylContact C-O 3.4Å; W205-Y271 VanDerWaalsContact CA-O 3.28Å; W205-Y271 WeakPolarHBondContact CA-O 3.46Å; T206-Y271 PolarHBondContact N-O 3.26Å; T206-Y271 PolarHBondContact O-N 2.83Å; L208-Y271 HydrophobicContact CB-CE2 4.32Å; I269-Y271 HydrophobicContact CB-CD2 4.43Å; I269-Y271 HydrophobicContact CB-CE2 3.87Å; I269-Y271 HydrophobicContact CD1-CE2 4.46Å; I269-Y271 HydrophobicContact CG2-CD2 3.98Å; I269-Y271 HydrophobicContact CG2-CE1 4.08Å; I269-Y271 HydrophobicContact CG2-CE2 3.51Å; I269-Y271 HydrophobicContact CG2-CG 4.46Å; Y271-F304 HydrophobicContact CE2-CE1 4.2Å; Y271-Y305 HydrophobicContact CD1-CD2 4.5Å; Y271-Y305 AromaticContact CE1-CD2 3.8Å; Y271-Y305 HydrophobicContact CE1-CD2 3.8Å; Y271-Y305 HydrophobicContact CE1-CE2 4.25Å; Y271-I312 HydrophobicContact CD1-CB 4.3Å; Y271-I312 HydrophobicContact CD1-CD1 3.89Å; Y271-I312 HydrophobicContact CD1-CG1 4.14Å; Y271-I312 HydrophobicContact CE1-CD1 4.19Å; Y271-I312 HydrophobicContact CG-CB 4.48Å; Y271-I312 HydrophobicContact CG-CD1 4.08Å; Y271-T313 CarbonylContact C-O 3.57Å; Y271-T313 WeakPolarHBondContact CA-O 3.08Å; Y271-P314 HydrophobicContact CD1-CB 3.97Å; Y271-P314 HydrophobicContact CE1-CB 3.81Å; Y271-P314 HydrophobicContact CE1-CG 4.39Å |
| 272 | R | 94.8 | Very high | 92.9 | Very high | 54 Ų | 54 | 48 Ų | 48 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131 | 167.8 | -166.4 | 178.3 | 71.4 | -173.9 | -0.9 | 108.9 | L76 F203 W205 D274 I312 T313 A315 | L76-R272 VanDerWaalsContact CD2-NH1 3.34Å; L76-R272 VanDerWaalsContact CD2-NH2 3.26Å; F203-R272 HydrophobicContact CB-CG 3.78Å; F203-R272 HydrophobicContact CD1-CG 4.14Å; F203-R272 HydrophobicContact CD2-CG 4.41Å; F203-R272 HydrophobicContact CG-CG 3.86Å; W205-R272 HydrophobicContact CE3-CB 3.93Å; W205-R272 HydrophobicContact CE3-CG 4.22Å; W205-R272 HydrophobicContact CH2-CB 4.04Å; W205-R272 HydrophobicContact CH2-CG 3.76Å; W205-R272 HydrophobicContact CZ2-CG 4.3Å; W205-R272 HydrophobicContact CZ3-CB 3.48Å; W205-R272 VanDerWaalsContact CZ3-CB 3.48Å; W205-R272 HydrophobicContact CZ3-CG 3.71Å; R272-D274 IonicContact CZ-OD1 3.08Å; R272-D274 IonicContact NE-OD1 2.62Å; R272-D274 PolarHBondContact NE-OD1 3.2Å; R272-D274 IonicContact NH2-OD1 2.61Å; R272-D274 PolarHBondContact NH2-OD1 3.41Å; R272-D274 IonicContact NH2-OD2 3.1Å; R272-I312 WeakPolarHBondContact O-CA 3.36Å; R272-T313 PolarHBondContact N-O 2.63Å; R272-T313 PolarHBondContact O-N 3.29Å; R272-A315 HydrophobicContact CB-CB 4.3Å |
| 273 | Q | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116 | 171.8 | -57.1 | -178.8 | -30.3 | 0 | 0 | 109 | Y204 T206 N234 G276 I278 I312 | Y204-Q273 WeakPolarHBondContact O-CB 3.49Å; Y204-Q273 PolarHBondContact O-N 3.11Å; T206-Q273 PolarHBondContact OG1-NE2 3Å; N234-Q273 PolarHBondContact OD1-NE2 3.03Å; N234-Q273 PolarHBondContact OD1-OE1 3.14Å; Q273-G276 VanDerWaalsContact CB-O 3.3Å; Q273-G276 WeakPolarHBondContact CB-O 3.3Å; Q273-G276 PolarHBondContact OE1-O 3.22Å; Q273-G276 VanDerWaalsContact OE1-O 3.07Å; Q273-I278 HydrophobicContact CB-CD1 3.95Å; Q273-I278 HydrophobicContact CB-CG1 4.36Å; Q273-I278 HydrophobicContact CG-CD1 3.67Å; Q273-I278 HydrophobicContact CG-CG1 4.19Å; Q273-I312 HydrophobicContact CG-CG2 4.32Å |
| 274 | D | 89.6 | Confident | 92.2 | Very high | 51 Ų | 51 | 50 Ų | 50 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -84 | -28.7 | -171.7 | -71.3 | -34.5 | 0 | 0 | 0 | 112.7 | R272 E311 T313 | R272-D274 IonicContact CZ-OD1 3.08Å; R272-D274 IonicContact NE-OD1 2.62Å; R272-D274 PolarHBondContact NE-OD1 3.2Å; R272-D274 IonicContact NH2-OD1 2.61Å; R272-D274 PolarHBondContact NH2-OD1 3.41Å; R272-D274 IonicContact NH2-OD2 3.1Å; D274-E311 PolarHBondContact N-O 3.27Å; D274-T313 PolarHBondContact OD2-OG1 3.32Å |
| 275 | H | 89.6 | Confident | 91.7 | Very high | 150 Ų | 150 | 51.8 Ų | 51.8 | 69% | 0.694 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -102.8 | 11.7 | -175.3 | -62.9 | -41.6 | 0 | 0 | 0 | 114.7 | D310 | H275-D310 PolarHBondContact CD2-O 3.45Å; H275-D310 PolarHBondContact NE2-O 3.29Å |
| 276 | G | 88.5 | Confident | 90.9 | Very high | 20 Ų | 20 | 52.5 Ų | 52.5 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 99.5 | -151 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q273 | Q273-G276 VanDerWaalsContact CB-O 3.3Å; Q273-G276 WeakPolarHBondContact CB-O 3.3Å; Q273-G276 PolarHBondContact OE1-O 3.22Å; Q273-G276 VanDerWaalsContact OE1-O 3.07Å |
| 277 | K | 91.1 | Very high | 90 | Very high | 132 Ų | 132 | 57.6 Ų | 57.6 | 57% | 0.574 | 29% | 0.285 | S | S | * | . | trans | -68.2 | 138.3 | -178.6 | -68.8 | -172.9 | 175 | -170.3 | 0 | 110.9 | Y204 N234 | Y204-K277 HydrophobicContact CD1-CG 3.91Å; Y204-K277 HydrophobicContact CD2-CG 4.2Å; Y204-K277 HydrophobicContact CE1-CD 4.02Å; Y204-K277 HydrophobicContact CE1-CG 3.51Å; Y204-K277 HydrophobicContact CE2-CG 3.89Å; Y204-K277 HydrophobicContact CG-CG 4.22Å; Y204-K277 WeakPolarHBondContact OH-CE 3.5Å; N234-K277 HydrophobicContact CB-CG 4.42Å | ||
| 278 | I | 90.5 | Very high | 88.9 | Confident | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | trans | -117.9 | 135.3 | 179.4 | -52.5 | 173.9 | 0 | 0 | 0 | 109 | N234 Q273 L280 E311 I312 | N234-I278 PolarHBondContact ND2-O 2.82Å; N234-I278 VanDerWaalsContact ND2-O 3.11Å; N234-I278 PolarHBondContact OD1-N 3.43Å; N234-I278 PolarHBondContact OD1-O 2.83Å; Q273-I278 HydrophobicContact CB-CD1 3.95Å; Q273-I278 HydrophobicContact CB-CG1 4.36Å; Q273-I278 HydrophobicContact CG-CD1 3.67Å; Q273-I278 HydrophobicContact CG-CG1 4.19Å; I278-L280 HydrophobicContact CB-CG 4.41Å; I278-L280 HydrophobicContact CG2-CD1 4.29Å; I278-L280 HydrophobicContact CG2-CD2 3.82Å; I278-L280 HydrophobicContact CG2-CG 3.78Å; I278-E311 HydrophobicContact CD1-CB 3.73Å; I278-E311 VanDerWaalsContact CG2-OE2 3.23Å; I278-E311 WeakPolarHBondContact CG2-OE2 3.31Å; I278-I312 HydrophobicContact CD1-CG2 3.45Å; I278-I312 VanDerWaalsContact CD1-CG2 3.45Å | ||
| 279 | D | 90.2 | Very high | 87.5 | Confident | 133 Ų | 133 | 63 Ų | 63 | 71% | 0.711 | 32% | 0.319 | S | S | * | . | trans | -91.9 | 100.3 | 175.3 | -75.7 | -15.3 | 0 | 0 | 0 | 110.3 | ||||
| 280 | L | 88.9 | Confident | 86.1 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | trans | -100.8 | 25 | -177.2 | -66.2 | 170.1 | 0 | 0 | 0 | 113.4 | T206 M231 T233 I249 I278 Q282 W283 F304 L308 | T206-L280 HydrophobicContact CG2-CD1 4.5Å; M231-L280 HydrophobicContact CE-CB 4.33Å; M231-L280 HydrophobicContact CE-CD1 3.74Å; T233-L280 HydrophobicContact CG2-CB 4.08Å; T233-L280 HydrophobicContact CG2-CD1 3.38Å; T233-L280 HydrophobicContact CG2-CG 4.24Å; I249-L280 HydrophobicContact CD1-CB 4.48Å; I249-L280 HydrophobicContact CG1-CB 4.34Å; I278-L280 HydrophobicContact CB-CG 4.41Å; I278-L280 HydrophobicContact CG2-CD1 4.29Å; I278-L280 HydrophobicContact CG2-CD2 3.82Å; I278-L280 HydrophobicContact CG2-CG 3.78Å; L280-Q282 PolarHBondContact O-N 3.35Å; L280-Q282 VanDerWaalsContact O-N 3.09Å; L280-W283 PolarHBondContact O-N 3.04Å; L280-F304 HydrophobicContact CD1-CZ 4.44Å; L280-F304 HydrophobicContact CD2-CE2 4.44Å; L280-L308 HydrophobicContact CD2-CD1 3.47Å; L280-L308 VanDerWaalsContact CD2-CD1 3.47Å; L280-L308 HydrophobicContact CD2-CD2 3.98Å; L280-L308 HydrophobicContact CD2-CG 4.37Å | ||
| 281 | N | 87 | Confident | 84.5 | Confident | 96 Ų | 96 | 69.8 Ų | 69.8 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -60 | -23 | -178.4 | -72.6 | -39.4 | 0 | 0 | 0 | 113.9 | W283 R284 | N281-W283 PolarHBondContact O-N 2.83Å; N281-R284 WeakPolarHBondContact O-CB 2.88Å; N281-R284 PolarHBondContact O-N 3Å; N281-R284 VanDerWaalsContact O-N 3.13Å |
| 282 | Q | 88.5 | Confident | 83.3 | Confident | 146 Ų | 146 | 71 Ų | 71 | 68% | 0.682 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -61 | -28.1 | 174.3 | 69.2 | -176.9 | -8.3 | 0 | 0 | 113.1 | L280 | L280-Q282 PolarHBondContact O-N 3.35Å; L280-Q282 VanDerWaalsContact O-N 3.09Å |
| 283 | W | 86 | Confident | 82.6 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 22% | 0.223 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -94.7 | 2.5 | 180 | -60.8 | 103.9 | 0 | 0 | 0 | 112.7 | I249 L280 N281 K285 F299 F304 | I249-W283 HydrophobicContact CG2-CB 4.38Å; L280-W283 PolarHBondContact O-N 3.04Å; N281-W283 PolarHBondContact O-N 2.83Å; W283-K285 PolarHBondContact O-N 3.17Å; W283-F299 HydrophobicContact CE3-CD2 4.47Å; W283-F299 AromaticContact CE3-CE2 3.91Å; W283-F299 HydrophobicContact CE3-CE2 3.91Å; W283-F299 HydrophobicContact CZ3-CE2 4.08Å; W283-F304 HydrophobicContact CD2-CD2 4.1Å; W283-F304 AromaticContact CE2-CD2 3.77Å; W283-F304 HydrophobicContact CG-CD2 4.4Å; W283-F304 HydrophobicContact CG-CE2 4.49Å; W283-F304 HydrophobicContact CH2-CB 4.46Å; W283-F304 HydrophobicContact CZ2-CD2 4.07Å; W283-F304 AromaticContact NE1-CD2 3.8Å; W283-F304 AromaticContact NE1-CE2 3.98Å |
| 284 | R | 86.9 | Confident | 81.9 | Confident | 156 Ų | 156 | 73.4 Ų | 73.4 | 59% | 0.589 | 40% | 0.395 | S | S | * | . | trans | -61.1 | 124.6 | -177.8 | 179.4 | 175.3 | -94.3 | -104.9 | -6.7 | 110.1 | E248 I249 N281 | E248-R284 PolarHBondContact O-NH2 2.9Å; I249-R284 HydrophobicContact CG2-CB 4.1Å; I249-R284 WeakPolarHBondContact O-CA 3.34Å; N281-R284 WeakPolarHBondContact O-CB 2.88Å; N281-R284 PolarHBondContact O-N 3Å; N281-R284 VanDerWaalsContact O-N 3.13Å | ||
| 285 | K | 84.8 | Confident | 81.6 | Confident | 43 Ų | 43 | 76.2 Ų | 76.2 | 19% | 0.187 | 42% | 0.419 | C | S | . | . | trans | -123.1 | 146.4 | 178.9 | -74.2 | 159.1 | 160.8 | -140.4 | 0 | 109.8 | I228 I249 I250 P251 W283 E296 G298 | I228-K285 HydrophobicContact CG2-CD 4.38Å; I249-K285 PolarHBondContact O-N 2.77Å; I250-K285 HydrophobicContact CD1-CD 3.86Å; I250-K285 HydrophobicContact CG1-CB 4.17Å; I250-K285 HydrophobicContact CG1-CD 4.38Å; I250-K285 HydrophobicContact CG2-CB 4.4Å; P251-K285 WeakPolarHBondContact CD-O 3.3Å; W283-K285 PolarHBondContact O-N 3.17Å; K285-E296 WeakPolarHBondContact CD-O 3.34Å; K285-E296 WeakPolarHBondContact CE-O 3.48Å; K285-E296 PolarHBondContact NZ-O 2.94Å; K285-G298 PolarHBondContact NZ-O 3.33Å | ||
| 286 | G | 79.3 | Confident | 81.4 | Confident | 48 Ų | 48 | 72 Ų | 72 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | trans | -77.2 | 176.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 287 | N | 77.2 | Confident | 81.4 | Confident | 106 Ų | 106 | 71 Ų | 71 | 57% | 0.567 | 39% | 0.389 | S | S | * | . | trans | -67.7 | 135.7 | 163.5 | -79.2 | -33.1 | 0 | 0 | 0 | 109.3 | P251 T289 | P251-N287 WeakPolarHBondContact CB-OD1 3.42Å; P251-N287 WeakPolarHBondContact CG-OD1 3.45Å; N287-T289 PolarHBondContact O-N 2.87Å | ||
| 288 | P | 75 | Confident | 81.3 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 7% | 0.065 | 37% | 0.372 | C | S | . | . | trans | -68.3 | 134.5 | -176.3 | 27.6 | -32.5 | 0 | 0 | 0 | 110.5 | M253 L293 E296 L336 | M253-P288 HydrophobicContact SD-CG 4.43Å; P288-L293 HydrophobicContact CB-CD1 3.86Å; P288-L293 HydrophobicContact CG-CD1 4.08Å; P288-E296 WeakPolarHBondContact CA-OE2 3.34Å; P288-E296 WeakPolarHBondContact CB-OE2 3.5Å; P288-L336 HydrophobicContact CB-CD2 4Å; P288-L336 HydrophobicContact CG-CD2 3.88Å | ||
| 289 | T | 66.2 | Low | 81.3 | Confident | 105 Ų | 105 | 65.6 Ų | 65.6 | 64% | 0.644 | 37% | 0.372 | S | S | * | . | trans | -128.7 | 121.4 | 177 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | N287 E296 | N287-T289 PolarHBondContact O-N 2.87Å; T289-E296 PolarHBondContact N-OE2 3.13Å | ||
| 290 | G | 66.9 | Low | 81.3 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | 76.1 | -150.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G292 L336 | G290-G292 PolarHBondContact O-N 2.92Å; G290-G292 VanDerWaalsContact O-N 3.15Å; G290-L336 CarbonylContact C-O 3.58Å; G290-L336 WeakPolarHBondContact CA-O 3.34Å; G290-L336 PolarHBondContact N-O 3.25Å |
| 291 | C | 62.6 | Low | 81.5 | Confident | 118 Ų | 118 | 59.8 Ų | 59.8 | 80% | 0.797 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -73 | 3.3 | -178.4 | -64.4 | 0 | 0 | 0 | 0 | 115 | L293 | C291-L293 VanDerWaalsContact C-N 3.28Å; C291-L293 PolarHBondContact O-N 3.1Å |
| 292 | G | 71.4 | Confident | 81.8 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 26% | 0.258 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -81.3 | 5.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | G290 Q294 S295 E296 | G290-G292 PolarHBondContact O-N 2.92Å; G290-G292 VanDerWaalsContact O-N 3.15Å; G292-Q294 VanDerWaalsContact C-N 3.27Å; G292-Q294 PolarHBondContact O-N 2.87Å; G292-Q294 VanDerWaalsContact O-N 3.11Å; G292-S295 PolarHBondContact O-N 3.19Å; G292-E296 PolarHBondContact O-N 2.77Å |
| 293 | L | 80.6 | Confident | 81.9 | Confident | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -50.1 | -44.8 | -168.7 | -177.6 | 66.9 | 0 | 0 | 0 | 113.2 | Y227 M253 I256 P288 C291 E296 R297 L336 | Y227-L293 HydrophobicContact CE2-CD2 3.94Å; Y227-L293 HydrophobicContact CE2-CG 4.2Å; M253-L293 HydrophobicContact CE-CD1 3.56Å; M253-L293 HydrophobicContact CE-CD2 4.3Å; M253-L293 HydrophobicContact SD-CD1 3.94Å; I256-L293 HydrophobicContact CD1-CD2 3.76Å; P288-L293 HydrophobicContact CB-CD1 3.86Å; P288-L293 HydrophobicContact CG-CD1 4.08Å; C291-L293 VanDerWaalsContact C-N 3.28Å; C291-L293 PolarHBondContact O-N 3.1Å; L293-E296 PolarHBondContact O-N 2.94Å; L293-R297 HydrophobicContact CD1-CB 4.3Å; L293-R297 HydrophobicContact CD1-CG 3.78Å; L293-R297 WeakPolarHBondContact O-CB 3.43Å; L293-R297 PolarHBondContact O-N 2.88Å; L293-L336 HydrophobicContact CD1-CD2 4.19Å; L293-L336 HydrophobicContact CD2-CD1 4.21Å |
| 294 | Q | 80 | Confident | 82.3 | Confident | 90 Ų | 90 | 54.2 Ų | 54.2 | 42% | 0.421 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | -177.7 | -175.5 | 171.1 | 3.5 | 0 | 0 | 112.9 | P215 Y227 G292 G298 | P215-Q294 HydrophobicContact CG-CG 4.17Å; Y227-Q294 HydrophobicContact CE1-CB 4.36Å; Y227-Q294 HydrophobicContact CE1-CG 4.33Å; Y227-Q294 WeakPolarHBondContact OH-CA 3.32Å; Y227-Q294 WeakPolarHBondContact OH-CB 3.48Å; G292-Q294 VanDerWaalsContact C-N 3.27Å; G292-Q294 PolarHBondContact O-N 2.87Å; G292-Q294 VanDerWaalsContact O-N 3.11Å; Q294-G298 WeakPolarHBondContact O-CA 3.46Å; Q294-G298 PolarHBondContact O-N 2.81Å |
| 295 | S | 81.3 | Confident | 82.6 | Confident | 109 Ų | 109 | 47.8 Ų | 47.8 | 76% | 0.762 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -71.7 | -37.8 | -179.8 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | G292 | G292-S295 PolarHBondContact O-N 3.19Å |
| 296 | E | 85.7 | Confident | 83 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 29% | 0.285 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -78.9 | -37.7 | -176.9 | -67.9 | 173.6 | 152.3 | 0 | 0 | 111.6 | K285 P288 T289 G292 L293 | K285-E296 WeakPolarHBondContact CD-O 3.34Å; K285-E296 WeakPolarHBondContact CE-O 3.48Å; K285-E296 PolarHBondContact NZ-O 2.94Å; P288-E296 WeakPolarHBondContact CA-OE2 3.34Å; P288-E296 WeakPolarHBondContact CB-OE2 3.5Å; T289-E296 PolarHBondContact N-OE2 3.13Å; G292-E296 PolarHBondContact O-N 2.77Å; L293-E296 PolarHBondContact O-N 2.94Å |
| 297 | R | 89.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -106.7 | -9.4 | -176.1 | -60.5 | -56.2 | -169.3 | 131.2 | -8.8 | 114.9 | Y227 I228 H229 I250 P251 M253 L293 F299 | Y227-R297 WeakPolarHBondContact CA-O 3.18Å; Y227-R297 HydrophobicContact CD1-CB 4.17Å; Y227-R297 HydrophobicContact CG-CB 4.38Å; I228-R297 WeakPolarHBondContact CG2-O 3.45Å; I228-R297 PolarHBondContact N-O 3.49Å; I228-R297 WeakPolarHBondContact O-CD 3.32Å; I228-R297 PolarHBondContact O-NH1 2.83Å; H229-R297 PolarHBondContact O-NH1 2.83Å; I250-R297 VanDerWaalsContact CG2-NH1 3.29Å; P251-R297 PolarHBondContact O-NH1 2.8Å; P251-R297 VanDerWaalsContact O-NH1 3.1Å; P251-R297 PolarHBondContact O-NH2 3.26Å; M253-R297 HydrophobicContact SD-CG 3.97Å; L293-R297 HydrophobicContact CD1-CB 4.3Å; L293-R297 HydrophobicContact CD1-CG 3.78Å; L293-R297 WeakPolarHBondContact O-CB 3.43Å; L293-R297 PolarHBondContact O-N 2.88Å; R297-F299 PolarHBondContact O-N 2.97Å |
| 298 | G | 88.7 | Confident | 84.5 | Confident | 21 Ų | 21 | 51 Ų | 51 | 22% | 0.216 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 125.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K285 Q294 | K285-G298 PolarHBondContact NZ-O 3.33Å; Q294-G298 WeakPolarHBondContact O-CA 3.46Å; Q294-G298 PolarHBondContact O-N 2.81Å |
| 299 | F | 90.2 | Very high | 85.2 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 4% | 0.044 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 161.6 | -173.3 | -172.5 | -105.9 | 0 | 0 | 0 | 109.9 | L208 T210 E226 I228 W283 R297 T301 F304 | L208-F299 HydrophobicContact CD1-CE1 3.67Å; L208-F299 HydrophobicContact CD1-CZ 3.82Å; T210-F299 HydrophobicContact CG2-CD1 4.07Å; T210-F299 HydrophobicContact CG2-CE1 4.43Å; E226-F299 HydrophobicContact CG-CB 4.46Å; E226-F299 HydrophobicContact CG-CD1 4.49Å; E226-F299 WeakPolarHBondContact CG-O 3.13Å; E226-F299 PolarHBondContact N-O 3.07Å; E226-F299 VanDerWaalsContact N-O 3.14Å; E226-F299 PolarHBondContact O-N 3.35Å; E226-F299 VanDerWaalsContact OE1-CD1 3.31Å; E226-F299 WeakPolarHBondContact OE1-CD1 3.29Å; I228-F299 HydrophobicContact CB-CB 3.78Å; I228-F299 HydrophobicContact CB-CD1 4.21Å; I228-F299 HydrophobicContact CB-CD2 4.49Å; I228-F299 HydrophobicContact CB-CG 3.92Å; I228-F299 HydrophobicContact CD1-CD1 3.85Å; I228-F299 HydrophobicContact CD1-CD2 3.99Å; I228-F299 HydrophobicContact CD1-CE1 3.83Å; I228-F299 HydrophobicContact CD1-CE2 3.96Å; I228-F299 HydrophobicContact CD1-CG 3.92Å; I228-F299 HydrophobicContact CD1-CZ 3.85Å; I228-F299 HydrophobicContact CG2-CB 3.84Å; I228-F299 HydrophobicContact CG2-CD2 4.37Å; I228-F299 HydrophobicContact CG2-CG 4.15Å; W283-F299 HydrophobicContact CE3-CD2 4.47Å; W283-F299 AromaticContact CE3-CE2 3.91Å; W283-F299 HydrophobicContact CE3-CE2 3.91Å; W283-F299 HydrophobicContact CZ3-CE2 4.08Å; R297-F299 PolarHBondContact O-N 2.97Å; F299-T301 HydrophobicContact CD1-CG2 4.23Å; F299-T301 HydrophobicContact CE1-CG2 3.74Å; F299-F304 HydrophobicContact CE1-CB 4.01Å; F299-F304 HydrophobicContact CE1-CG 4.35Å; F299-F304 HydrophobicContact CE2-CB 3.99Å; F299-F304 HydrophobicContact CE2-CD2 4.24Å; F299-F304 HydrophobicContact CE2-CG 4.24Å; F299-F304 HydrophobicContact CZ-CB 3.33Å; F299-F304 HydrophobicContact CZ-CD1 4.07Å; F299-F304 AromaticContact CZ-CD2 3.85Å; F299-F304 HydrophobicContact CZ-CD2 3.85Å; F299-F304 AromaticContact CZ-CG 3.48Å; F299-F304 HydrophobicContact CZ-CG 3.48Å; F299-F304 VanDerWaalsContact CZ-CG 3.48Å |
| 300 | S | 91.1 | Very high | 86.5 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | trans | -139.2 | 106 | 172.6 | 175.8 | 0 | 0 | 0 | 0 | 108.6 | L302 E303 F304 | S300-L302 PolarHBondContact O-N 3.07Å; S300-E303 PolarHBondContact O-N 3.05Å; S300-E303 PolarHBondContact OG-N 3.47Å; S300-F304 WeakPolarHBondContact O-CB 3.19Å; S300-F304 PolarHBondContact O-N 2.73Å | ||
| 301 | T | 93.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 177.5 | 31.6 | 0 | 0 | 0 | 0 | 110.9 | L134 L208 T210 E226 I269 F299 Y305 | L134-T301 WeakPolarHBondContact CA-OG1 3.4Å; L134-T301 HydrophobicContact CD2-CG2 4.3Å; L134-T301 PolarHBondContact O-OG1 3.06Å; L208-T301 HydrophobicContact CD1-CG2 4.42Å; L208-T301 HydrophobicContact CD2-CG2 3.69Å; T210-T301 HydrophobicContact CG2-CG2 4.08Å; E226-T301 VanDerWaalsContact CD-OG1 3.23Å; E226-T301 WeakPolarHBondContact OE1-CA 3.31Å; E226-T301 WeakPolarHBondContact OE1-CB 3.46Å; E226-T301 WeakPolarHBondContact OE1-CG2 3.48Å; E226-T301 PolarHBondContact OE1-N 2.79Å; E226-T301 PolarHBondContact OE1-OG1 3.47Å; E226-T301 PolarHBondContact OE2-OG1 3.04Å; E226-T301 VanDerWaalsContact OE2-OG1 3.1Å; I269-T301 HydrophobicContact CD1-CG2 4.11Å; F299-T301 HydrophobicContact CD1-CG2 4.23Å; F299-T301 HydrophobicContact CE1-CG2 3.74Å; T301-Y305 VanDerWaalsContact O-CB 3.22Å; T301-Y305 WeakPolarHBondContact O-CB 3.3Å; T301-Y305 PolarHBondContact O-N 3.2Å |
| 302 | L | 91.9 | Very high | 89.3 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 32% | 0.319 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.1 | -52.1 | 174.6 | -171.5 | 158.3 | 0 | 0 | 0 | 111.2 | L134 F135 S300 Y305 R306 | L134-L302 WeakPolarHBondContact O-CB 3.46Å; L134-L302 PolarHBondContact O-N 3.5Å; F135-L302 WeakPolarHBondContact O-CD1 2.95Å; S300-L302 PolarHBondContact O-N 3.07Å; L302-Y305 PolarHBondContact O-N 2.85Å; L302-R306 WeakPolarHBondContact O-CB 3.02Å; L302-R306 PolarHBondContact O-N 2.83Å |
| 303 | E | 91.9 | Very high | 90.5 | Very high | 123 Ų | 123 | 54.2 Ų | 54.2 | 58% | 0.575 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.1 | -40.6 | -179.3 | -69.4 | -175.5 | 168.9 | 0 | 0 | 111.9 | S300 R306 S307 | S300-E303 PolarHBondContact O-N 3.05Å; S300-E303 PolarHBondContact OG-N 3.47Å; E303-R306 PolarHBondContact O-N 3.1Å; E303-S307 PolarHBondContact O-N 3.31Å |
| 304 | F | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58 | -52 | 174.4 | 170.5 | -101.8 | 0 | 0 | 0 | 111.4 | L208 M231 Y271 L280 W283 F299 S300 R306 S307 L308 I312 | L208-F304 HydrophobicContact CD1-CD1 4.38Å; L208-F304 HydrophobicContact CD1-CE1 4.32Å; M231-F304 HydrophobicContact CE-CE2 3.49Å; M231-F304 VanDerWaalsContact CE-CE2 3.49Å; M231-F304 HydrophobicContact CE-CZ 3.5Å; Y271-F304 HydrophobicContact CE2-CE1 4.2Å; L280-F304 HydrophobicContact CD1-CZ 4.44Å; L280-F304 HydrophobicContact CD2-CE2 4.44Å; W283-F304 HydrophobicContact CD2-CD2 4.1Å; W283-F304 AromaticContact CE2-CD2 3.77Å; W283-F304 HydrophobicContact CG-CD2 4.4Å; W283-F304 HydrophobicContact CG-CE2 4.49Å; W283-F304 HydrophobicContact CH2-CB 4.46Å; W283-F304 HydrophobicContact CZ2-CD2 4.07Å; W283-F304 AromaticContact NE1-CD2 3.8Å; W283-F304 AromaticContact NE1-CE2 3.98Å; F299-F304 HydrophobicContact CE1-CB 4.01Å; F299-F304 HydrophobicContact CE1-CG 4.35Å; F299-F304 HydrophobicContact CE2-CB 3.99Å; F299-F304 HydrophobicContact CE2-CD2 4.24Å; F299-F304 HydrophobicContact CE2-CG 4.24Å; F299-F304 HydrophobicContact CZ-CB 3.33Å; F299-F304 HydrophobicContact CZ-CD1 4.07Å; F299-F304 AromaticContact CZ-CD2 3.85Å; F299-F304 HydrophobicContact CZ-CD2 3.85Å; F299-F304 AromaticContact CZ-CG 3.48Å; F299-F304 HydrophobicContact CZ-CG 3.48Å; F299-F304 VanDerWaalsContact CZ-CG 3.48Å; S300-F304 WeakPolarHBondContact O-CB 3.19Å; S300-F304 PolarHBondContact O-N 2.73Å; F304-R306 VanDerWaalsContact C-N 3.35Å; F304-R306 PolarHBondContact O-N 3.3Å; F304-S307 PolarHBondContact O-N 3.08Å; F304-S307 PolarHBondContact O-OG 3.37Å; F304-L308 HydrophobicContact CD2-CD1 3.9Å; F304-L308 HydrophobicContact CE1-CD1 4.25Å; F304-L308 HydrophobicContact CE2-CD1 3.3Å; F304-L308 HydrophobicContact CZ-CD1 3.5Å; F304-L308 VanDerWaalsContact CZ-CD1 3.5Å; F304-L308 PolarHBondContact O-N 2.94Å; F304-I312 HydrophobicContact CD1-CD1 4.33Å; F304-I312 HydrophobicContact CE1-CD1 3.52Å; F304-I312 HydrophobicContact CZ-CD1 3.9Å |
| 305 | Y | 94 | Very high | 91.9 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 179.8 | -178 | -114.3 | 0 | 0 | 0 | 111.1 | I74 F135 Y271 T301 L302 S307 L308 E309 I312 P314 | I74-Y305 HydrophobicContact CB-CE1 4.27Å; I74-Y305 HydrophobicContact CD1-CD1 4.33Å; I74-Y305 HydrophobicContact CD1-CE1 3.81Å; I74-Y305 HydrophobicContact CG2-CE1 4.46Å; F135-Y305 HydrophobicContact CD1-CD1 4.2Å; F135-Y305 HydrophobicContact CD1-CG 4.42Å; F135-Y305 HydrophobicContact CE1-CD1 4.31Å; F135-Y305 HydrophobicContact CE1-CG 4.14Å; Y271-Y305 HydrophobicContact CD1-CD2 4.5Å; Y271-Y305 AromaticContact CE1-CD2 3.8Å; Y271-Y305 HydrophobicContact CE1-CD2 3.8Å; Y271-Y305 HydrophobicContact CE1-CE2 4.25Å; T301-Y305 VanDerWaalsContact O-CB 3.22Å; T301-Y305 WeakPolarHBondContact O-CB 3.3Å; T301-Y305 PolarHBondContact O-N 3.2Å; L302-Y305 PolarHBondContact O-N 2.85Å; Y305-S307 PolarHBondContact O-N 3.14Å; Y305-L308 CarbonylContact O-C 3.41Å; Y305-L308 PolarHBondContact O-N 2.91Å; Y305-E309 HydrophobicContact CE1-CG 4.26Å; Y305-E309 WeakPolarHBondContact O-CA 3.43Å; Y305-E309 PolarHBondContact O-N 2.92Å; Y305-I312 HydrophobicContact CD2-CD1 4.32Å; Y305-I312 HydrophobicContact CD2-CG1 4.18Å; Y305-I312 HydrophobicContact CE2-CG1 4.34Å; Y305-I312 WeakPolarHBondContact CE2-O 3.28Å; Y305-P314 HydrophobicContact CE2-CG 4.42Å |
| 306 | R | 92.9 | Very high | 92.6 | Very high | 187 Ų | 187 | 44 Ų | 44 | 71% | 0.706 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.6 | -31.7 | 177.2 | -170.5 | 176.7 | -171.6 | 171.2 | 3.6 | 113.2 | L302 E303 F304 L308 | L302-R306 WeakPolarHBondContact O-CB 3.02Å; L302-R306 PolarHBondContact O-N 2.83Å; E303-R306 PolarHBondContact O-N 3.1Å; F304-R306 VanDerWaalsContact C-N 3.35Å; F304-R306 PolarHBondContact O-N 3.3Å; R306-L308 VanDerWaalsContact C-N 3.33Å |
| 307 | S | 93.6 | Very high | 93.1 | Very high | 66 Ų | 66 | 41.3 Ų | 41.3 | 46% | 0.462 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -75.9 | -21.2 | 177.5 | 71.6 | 0 | 0 | 0 | 0 | 113.8 | E303 F304 Y305 | E303-S307 PolarHBondContact O-N 3.31Å; F304-S307 PolarHBondContact O-N 3.08Å; F304-S307 PolarHBondContact O-OG 3.37Å; Y305-S307 PolarHBondContact O-N 3.14Å |
| 308 | L | 93.7 | Very high | 93.4 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -125.5 | 15.5 | -172.2 | -63.7 | 165.7 | 0 | 0 | 0 | 112.7 | L280 F304 Y305 R306 D310 E311 I312 | L280-L308 HydrophobicContact CD2-CD1 3.47Å; L280-L308 VanDerWaalsContact CD2-CD1 3.47Å; L280-L308 HydrophobicContact CD2-CD2 3.98Å; L280-L308 HydrophobicContact CD2-CG 4.37Å; F304-L308 HydrophobicContact CD2-CD1 3.9Å; F304-L308 HydrophobicContact CE1-CD1 4.25Å; F304-L308 HydrophobicContact CE2-CD1 3.3Å; F304-L308 HydrophobicContact CZ-CD1 3.5Å; F304-L308 VanDerWaalsContact CZ-CD1 3.5Å; F304-L308 PolarHBondContact O-N 2.94Å; Y305-L308 CarbonylContact O-C 3.41Å; Y305-L308 PolarHBondContact O-N 2.91Å; R306-L308 VanDerWaalsContact C-N 3.33Å; L308-D310 PolarHBondContact O-N 3.47Å; L308-E311 PolarHBondContact O-N 2.99Å; L308-I312 HydrophobicContact CB-CD1 3.78Å; L308-I312 HydrophobicContact CB-CG1 3.74Å; L308-I312 HydrophobicContact CD1-CD1 4.03Å; L308-I312 WeakPolarHBondContact O-CG1 3.38Å; L308-I312 PolarHBondContact O-N 2.68Å |
| 309 | E | 91.6 | Very high | 93.8 | Very high | 109 Ų | 109 | 40.7 Ų | 40.7 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32.6 | -172.9 | -172.5 | 177.5 | 174.7 | 0 | 0 | 112.3 | Y305 | Y305-E309 HydrophobicContact CE1-CG 4.26Å; Y305-E309 WeakPolarHBondContact O-CA 3.43Å; Y305-E309 PolarHBondContact O-N 2.92Å |
| 310 | D | 92.4 | Very high | 94.1 | Very high | 142 Ų | 142 | 40.2 Ų | 40.2 | 76% | 0.759 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -23.3 | 178.1 | -64.3 | -33.8 | 0 | 0 | 0 | 113.5 | H275 L308 | H275-D310 PolarHBondContact CD2-O 3.45Å; H275-D310 PolarHBondContact NE2-O 3.29Å; L308-D310 PolarHBondContact O-N 3.47Å |
| 311 | E | 93.9 | Very high | 94.4 | Very high | 75 Ų | 75 | 41.5 Ų | 41.5 | 35% | 0.35 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -31.1 | -172 | -59.6 | -173.3 | 167.9 | 0 | 0 | 113.7 | D274 I278 L308 | D274-E311 PolarHBondContact N-O 3.27Å; I278-E311 HydrophobicContact CD1-CB 3.73Å; I278-E311 VanDerWaalsContact CG2-OE2 3.23Å; I278-E311 WeakPolarHBondContact CG2-OE2 3.31Å; L308-E311 PolarHBondContact O-N 2.99Å |
| 312 | I | 94.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.5 | -175.7 | 67 | 175.8 | 0 | 0 | 0 | 112.2 | Y271 R272 Q273 I278 F304 Y305 L308 | Y271-I312 HydrophobicContact CD1-CB 4.3Å; Y271-I312 HydrophobicContact CD1-CD1 3.89Å; Y271-I312 HydrophobicContact CD1-CG1 4.14Å; Y271-I312 HydrophobicContact CE1-CD1 4.19Å; Y271-I312 HydrophobicContact CG-CB 4.48Å; Y271-I312 HydrophobicContact CG-CD1 4.08Å; R272-I312 WeakPolarHBondContact O-CA 3.36Å; Q273-I312 HydrophobicContact CG-CG2 4.32Å; I278-I312 HydrophobicContact CD1-CG2 3.45Å; I278-I312 VanDerWaalsContact CD1-CG2 3.45Å; F304-I312 HydrophobicContact CD1-CD1 4.33Å; F304-I312 HydrophobicContact CE1-CD1 3.52Å; F304-I312 HydrophobicContact CZ-CD1 3.9Å; Y305-I312 HydrophobicContact CD2-CD1 4.32Å; Y305-I312 HydrophobicContact CD2-CG1 4.18Å; Y305-I312 HydrophobicContact CE2-CG1 4.34Å; Y305-I312 WeakPolarHBondContact CE2-O 3.28Å; L308-I312 HydrophobicContact CB-CD1 3.78Å; L308-I312 HydrophobicContact CB-CG1 3.74Å; L308-I312 HydrophobicContact CD1-CD1 4.03Å; L308-I312 WeakPolarHBondContact O-CG1 3.38Å; L308-I312 PolarHBondContact O-N 2.68Å |
| 313 | T | 95.8 | Very high | 94.7 | Very high | 22 Ų | 22 | 41 Ų | 41 | 14% | 0.135 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 126.6 | 174.7 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | L76 Y271 R272 D274 A315 | L76-T313 HydrophobicContact CD2-CG2 3.68Å; L76-T313 HydrophobicContact CG-CG2 4.31Å; Y271-T313 CarbonylContact C-O 3.57Å; Y271-T313 WeakPolarHBondContact CA-O 3.08Å; R272-T313 PolarHBondContact N-O 2.63Å; R272-T313 PolarHBondContact O-N 3.29Å; D274-T313 PolarHBondContact OD2-OG1 3.32Å; T313-A315 PolarHBondContact O-N 3.48Å |
| 314 | P | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 128.2 | 177.2 | 26.5 | -33.9 | 0 | 0 | 0 | 110.6 | I74 F141 I269 Y271 Y305 | I74-P314 HydrophobicContact CD1-CG 4.11Å; I74-P314 HydrophobicContact CG1-CG 4Å; I74-P314 WeakPolarHBondContact O-CD 3.34Å; I74-P314 WeakPolarHBondContact O-CG 3.2Å; F141-P314 HydrophobicContact CB-CG 4.34Å; F141-P314 HydrophobicContact CD1-CB 3.89Å; F141-P314 HydrophobicContact CD1-CG 4Å; F141-P314 HydrophobicContact CD2-CB 4.07Å; F141-P314 HydrophobicContact CD2-CG 4.47Å; F141-P314 HydrophobicContact CE1-CB 3.83Å; F141-P314 HydrophobicContact CE1-CG 4.42Å; F141-P314 HydrophobicContact CE2-CB 4.03Å; F141-P314 HydrophobicContact CG-CB 4.02Å; F141-P314 HydrophobicContact CG-CG 4.04Å; F141-P314 HydrophobicContact CZ-CB 3.92Å; I269-P314 HydrophobicContact CG2-CB 4.46Å; Y271-P314 HydrophobicContact CD1-CB 3.97Å; Y271-P314 HydrophobicContact CE1-CB 3.81Å; Y271-P314 HydrophobicContact CE1-CG 4.39Å; Y305-P314 HydrophobicContact CE2-CG 4.42Å |
| 315 | A | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | -35.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L76 P143 V144 V145 W205 L270 R272 T313 | L76-A315 HydrophobicContact CD1-CB 3.53Å; L76-A315 HydrophobicContact CG-CB 4.04Å; P143-A315 CarbonylContact C-O 3.59Å; P143-A315 WeakPolarHBondContact CA-O 3.23Å; V144-A315 PolarHBondContact N-O 2.75Å; V145-A315 HydrophobicContact CB-CB 4.26Å; V145-A315 HydrophobicContact CG2-CB 3.88Å; V145-A315 PolarHBondContact N-O 3.28Å; W205-A315 HydrophobicContact CZ3-CB 3.68Å; L270-A315 PolarHBondContact O-N 3.39Å; R272-A315 HydrophobicContact CB-CB 4.3Å; T313-A315 PolarHBondContact O-N 3.48Å |
| 316 | G | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L270 | L270-G316 PolarHBondContact N-O 3.14Å; L270-G316 PolarHBondContact O-N 3.44Å |
| 317 | L | 96.2 | Very high | 94.9 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 131.3 | 173.5 | -173.5 | 74.3 | 0 | 0 | 0 | 110 | A125 I130 F131 F141 P143 I267 F268 I269 | A125-L317 HydrophobicContact CB-CD2 3.37Å; I130-L317 HydrophobicContact CD1-CD2 4.42Å; I130-L317 HydrophobicContact CG2-CD1 4.26Å; I130-L317 HydrophobicContact CG2-CD2 4.34Å; F131-L317 HydrophobicContact CZ-CD2 4.4Å; F141-L317 HydrophobicContact CE2-CB 4.32Å; F141-L317 HydrophobicContact CZ-CB 4.07Å; F141-L317 HydrophobicContact CZ-CD1 4.34Å; P143-L317 HydrophobicContact CB-CB 3.82Å; P143-L317 HydrophobicContact CG-CB 4.35Å; I267-L317 HydrophobicContact CG2-CD1 3.54Å; F268-L317 WeakPolarHBondContact O-CA 3.43Å; I269-L317 HydrophobicContact CG1-CD1 4.31Å |
| 318 | A | 96 | Very high | 94.9 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 6% | 0.058 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 146.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | F147 I149 V177 F268 | F147-A318 HydrophobicContact CE1-CB 4.19Å; F147-A318 HydrophobicContact CE2-CB 4.29Å; F147-A318 HydrophobicContact CZ-CB 3.79Å; I149-A318 HydrophobicContact CD1-CB 3.92Å; V177-A318 HydrophobicContact CG1-CB 4.44Å; F268-A318 WeakPolarHBondContact CA-O 3.21Å; F268-A318 HydrophobicContact CB-CB 4.39Å; F268-A318 WeakPolarHBondContact CB-O 3.5Å; F268-A318 PolarHBondContact N-O 3.33Å; F268-A318 PolarHBondContact O-N 2.66Å; F268-A318 VanDerWaalsContact O-O 3.11Å |
| 319 | F | 97 | Very high | 94.9 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 152.7 | 179.1 | 70.5 | -82.2 | 0 | 0 | 0 | 111 | V124 Y128 I130 F178 G180 Y266 I267 | V124-F319 HydrophobicContact CG1-CE1 3.93Å; V124-F319 HydrophobicContact CG1-CZ 3.66Å; Y128-F319 HydrophobicContact CD1-CE2 4.1Å; Y128-F319 AromaticContact CD2-CE2 3.64Å; Y128-F319 HydrophobicContact CD2-CE2 3.64Å; Y128-F319 AromaticContact CD2-CZ 3.37Å; Y128-F319 HydrophobicContact CD2-CZ 3.37Å; Y128-F319 HydrophobicContact CE1-CE2 4.37Å; Y128-F319 AromaticContact CE2-CE2 3.95Å; Y128-F319 HydrophobicContact CE2-CE2 3.95Å; Y128-F319 AromaticContact CE2-CZ 3.78Å; Y128-F319 HydrophobicContact CE2-CZ 3.78Å; Y128-F319 AromaticContact CG-CE2 3.7Å; Y128-F319 HydrophobicContact CG-CE2 3.7Å; Y128-F319 AromaticContact CG-CZ 3.84Å; Y128-F319 HydrophobicContact CG-CZ 3.84Å; I130-F319 HydrophobicContact CD1-CB 4.25Å; I130-F319 HydrophobicContact CD1-CD1 3.32Å; I130-F319 HydrophobicContact CD1-CD2 3.79Å; I130-F319 HydrophobicContact CD1-CE1 3.45Å; I130-F319 VanDerWaalsContact CD1-CE1 3.45Å; I130-F319 HydrophobicContact CD1-CE2 3.89Å; I130-F319 HydrophobicContact CD1-CG 3.51Å; I130-F319 HydrophobicContact CD1-CZ 3.74Å; F178-F319 CarbonylContact C-O 3.53Å; F178-F319 PolarHBondContact O-N 3.22Å; G180-F319 PolarHBondContact N-O 3.34Å; Y266-F319 CarbonylContact O-C 3.58Å; Y266-F319 WeakPolarHBondContact O-CA 3.16Å; Y266-F319 VanDerWaalsContact O-CB 3.25Å; Y266-F319 WeakPolarHBondContact O-CB 3.19Å; I267-F319 HydrophobicContact CB-CB 4.24Å; I267-F319 HydrophobicContact CG1-CB 3.98Å; I267-F319 HydrophobicContact CG2-CB 4.28Å |
| 320 | F | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 167.1 | 174.8 | 66.3 | -85.4 | 0 | 0 | 0 | 110.8 | Y151 V177 N181 I183 A188 M209 Y266 F268 | Y151-F320 AromaticContact CE2-CE1 3.95Å; Y151-F320 HydrophobicContact CE2-CE1 3.95Å; Y151-F320 HydrophobicContact CE2-CZ 4.2Å; V177-F320 HydrophobicContact CG1-CB 4.13Å; V177-F320 HydrophobicContact CG1-CD1 3.98Å; V177-F320 HydrophobicContact CG2-CD1 4.23Å; N181-F320 CarbonylContact O-C 3.53Å; N181-F320 WeakPolarHBondContact O-CA 3.15Å; N181-F320 WeakPolarHBondContact O-CB 3.32Å; I183-F320 HydrophobicContact CB-CD2 3.63Å; I183-F320 HydrophobicContact CB-CE2 4.04Å; I183-F320 HydrophobicContact CB-CG 4.25Å; I183-F320 HydrophobicContact CD1-CB 3.76Å; I183-F320 HydrophobicContact CD1-CD1 4.19Å; I183-F320 HydrophobicContact CD1-CD2 4.03Å; I183-F320 HydrophobicContact CD1-CG 3.75Å; I183-F320 HydrophobicContact CG1-CB 4Å; I183-F320 HydrophobicContact CG1-CD2 4.03Å; I183-F320 HydrophobicContact CG1-CG 4.14Å; A188-F320 HydrophobicContact CB-CZ 4.48Å; M209-F320 HydrophobicContact CE-CE1 4.11Å; M209-F320 HydrophobicContact CE-CZ 4.04Å; Y266-F320 VanDerWaalsContact CB-CE1 3.48Å; Y266-F320 VanDerWaalsContact CB-CZ 3.48Å; Y266-F320 HydrophobicContact CD2-CE2 4.04Å; Y266-F320 HydrophobicContact CD2-CZ 4.29Å; Y266-F320 HydrophobicContact CG-CE1 4.32Å; Y266-F320 HydrophobicContact CG-CE2 4.05Å; Y266-F320 AromaticContact CG-CZ 3.83Å; Y266-F320 HydrophobicContact CG-CZ 3.83Å; Y266-F320 PolarHBondContact N-O 2.74Å; Y266-F320 PolarHBondContact O-N 3.44Å; F268-F320 AromaticContact CE2-CD1 3.84Å; F268-F320 HydrophobicContact CE2-CD1 3.84Å; F268-F320 AromaticContact CE2-CE1 3.56Å; F268-F320 HydrophobicContact CE2-CE1 3.56Å; F268-F320 HydrophobicContact CZ-CE1 4.12Å |
| 321 | Q | 97.1 | Very high | 95 | Very high | 39 Ų | 39 | 29.4 Ų | 29.4 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.8 | 170.8 | -61.2 | -167.8 | -45.7 | 0 | 0 | 109.6 | Y128 N181 L182 I183 H264 | Y128-Q321 VanDerWaalsContact CE1-NE2 3.3Å; N181-Q321 PolarHBondContact O-N 2.99Å; L182-Q321 CarbonylContact C-O 3.56Å; L182-Q321 WeakPolarHBondContact CA-O 3.3Å; I183-Q321 PolarHBondContact N-O 2.97Å; H264-Q321 CarbonylContact O-C 3.54Å; H264-Q321 VanDerWaalsContact O-CA 3.3Å; H264-Q321 WeakPolarHBondContact O-CA 3.48Å |
| 322 | S | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 158 | 170.6 | 71.8 | 0 | 0 | 0 | 0 | 111.5 | I183 Y263 H264 Y266 | I183-S322 WeakPolarHBondContact O-CA 3.32Å; I183-S322 WeakPolarHBondContact O-CB 3.45Å; Y263-S322 WeakPolarHBondContact CA-O 3.34Å; H264-S322 PolarHBondContact N-O 3.27Å; H264-S322 PolarHBondContact O-N 2.89Å; Y266-S322 WeakPolarHBondContact CD2-OG 3.08Å; Y266-S322 WeakPolarHBondContact CE2-OG 3.46Å |
| 323 | V | 95.4 | Very high | 94.8 | Very high | 51 Ų | 51 | 32.7 Ų | 32.7 | 31% | 0.309 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 153.5 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | L182 P257 Y263 D325 | L182-V323 HydrophobicContact CD1-CG2 4.21Å; P257-V323 WeakPolarHBondContact CG-O 3.33Å; Y263-V323 HydrophobicContact CD1-CG2 3.15Å; Y263-V323 HydrophobicContact CE1-CG2 3.15Å; Y263-V323 HydrophobicContact CG-CG2 4.1Å; V323-D325 PolarHBondContact O-N 2.78Å |
| 324 | W | 95.5 | Very high | 94.5 | Very high | 66 Ų | 66 | 41 Ų | 41 | 25% | 0.25 | 18% | 0.184 | C | C | . | . | trans | -51.1 | 137.7 | 171.4 | 179.8 | 88.5 | 0 | 0 | 0 | 111.7 | P257 Q259 | P257-W324 VanDerWaalsContact O-CD1 3.31Å; Q259-W324 HydrophobicContact CB-CD2 4.05Å; Q259-W324 HydrophobicContact CB-CG 3.9Å; Q259-W324 HydrophobicContact CG-CD2 3.85Å; Q259-W324 HydrophobicContact CG-CE3 4.23Å; Q259-W324 HydrophobicContact CG-CG 4.15Å; Q259-W324 HydrophobicContact CG-CZ2 4.33Å | ||
| 325 | D | 93.8 | Very high | 94.2 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | trans | -145.3 | 168.8 | 177.4 | -166.1 | 7.3 | 0 | 0 | 0 | 109.1 | A185 N186 V323 S327 V328 | A185-D325 HydrophobicContact CB-CB 4.48Å; N186-D325 WeakPolarHBondContact CB-OD2 3.42Å; V323-D325 PolarHBondContact O-N 2.78Å; D325-S327 PolarHBondContact O-N 3.4Å; D325-V328 WeakPolarHBondContact O-CB 3.29Å; D325-V328 PolarHBondContact O-N 3.15Å | ||
| 326 | E | 93.9 | Very high | 93.9 | Very high | 128 Ų | 128 | 48.1 Ų | 48.1 | 60% | 0.598 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -62.5 | -26.2 | -177.2 | -60.5 | -174.2 | 177 | 0 | 0 | 113.4 | V328 R329 S330 | E326-V328 VanDerWaalsContact C-N 3.28Å; E326-V328 PolarHBondContact O-N 3.35Å; E326-R329 WeakPolarHBondContact O-CB 3.13Å; E326-R329 PolarHBondContact O-N 3.27Å; E326-S330 PolarHBondContact O-N 3.16Å; E326-S330 VanDerWaalsContact O-N 3.16Å |
| 327 | S | 93.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 8% | 0.077 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64 | -31.7 | 174.4 | 59.8 | 0 | 0 | 0 | 0 | 112.8 | N186 D325 S330 Y331 | N186-S327 WeakPolarHBondContact CA-OG 3.06Å; N186-S327 PolarHBondContact N-OG 3.11Å; N186-S327 VanDerWaalsContact N-OG 3.16Å; D325-S327 PolarHBondContact O-N 3.4Å; S327-S330 PolarHBondContact O-N 3.37Å; S327-S330 PolarHBondContact O-OG 2.94Å; S327-Y331 WeakPolarHBondContact O-CB 3.36Å; S327-Y331 PolarHBondContact O-N 3.08Å |
| 328 | V | 94.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 177.1 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | A185 I256 P257 D325 E326 S330 Y331 F332 | A185-V328 HydrophobicContact CB-CG2 3.53Å; I256-V328 HydrophobicContact CB-CG1 4.11Å; I256-V328 HydrophobicContact CG2-CG1 4.4Å; P257-V328 HydrophobicContact CG-CG2 4.26Å; D325-V328 WeakPolarHBondContact O-CB 3.29Å; D325-V328 PolarHBondContact O-N 3.15Å; E326-V328 VanDerWaalsContact C-N 3.28Å; E326-V328 PolarHBondContact O-N 3.35Å; V328-S330 VanDerWaalsContact C-N 3.33Å; V328-S330 PolarHBondContact O-N 3.23Å; V328-Y331 WeakPolarHBondContact O-CB 3.24Å; V328-Y331 PolarHBondContact O-N 3.06Å; V328-Y331 VanDerWaalsContact O-N 3.16Å; V328-F332 HydrophobicContact CG1-CD2 3.81Å; V328-F332 HydrophobicContact CG1-CE2 3.65Å; V328-F332 VanDerWaalsContact O-CD2 3.3Å; V328-F332 WeakPolarHBondContact O-CD2 3.08Å; V328-F332 PolarHBondContact O-N 3.39Å |
| 329 | R | 93.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 60.7 Ų | 60.7 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 176.4 | 179.3 | 172.1 | 69 | 169.5 | -1.7 | 112.2 | E326 Y331 F332 R333 E340 | E326-R329 WeakPolarHBondContact O-CB 3.13Å; E326-R329 PolarHBondContact O-N 3.27Å; R329-Y331 VanDerWaalsContact C-N 3.32Å; R329-F332 PolarHBondContact O-N 3.34Å; R329-R333 WeakPolarHBondContact O-CG 3.13Å; R329-R333 PolarHBondContact O-N 3.25Å; R329-R333 VanDerWaalsContact O-N 3.15Å; R329-E340 WeakPolarHBondContact CA-OE2 3.24Å; R329-E340 WeakPolarHBondContact CB-OE2 3.5Å; R329-E340 WeakPolarHBondContact CD-OE1 3.43Å; R329-E340 VanDerWaalsContact CG-OE1 3.25Å; R329-E340 WeakPolarHBondContact CG-OE1 3.38Å; R329-E340 VanDerWaalsContact CG-OE2 3.32Å; R329-E340 WeakPolarHBondContact CG-OE2 3.48Å |
| 330 | S | 92.8 | Very high | 92.4 | Very high | 44 Ų | 44 | 62.6 Ų | 62.6 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 178 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | E326 S327 V328 R333 Y334 | E326-S330 PolarHBondContact O-N 3.16Å; E326-S330 VanDerWaalsContact O-N 3.16Å; S327-S330 PolarHBondContact O-N 3.37Å; S327-S330 PolarHBondContact O-OG 2.94Å; V328-S330 VanDerWaalsContact C-N 3.33Å; V328-S330 PolarHBondContact O-N 3.23Å; S330-R333 PolarHBondContact O-N 2.56Å; S330-Y334 WeakPolarHBondContact O-CB 3.41Å; S330-Y334 WeakPolarHBondContact O-CD2 3.49Å; S330-Y334 PolarHBondContact O-N 3.43Å |
| 331 | Y | 92.5 | Very high | 92 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 10% | 0.098 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 174.3 | -169.4 | -92.5 | 0 | 0 | 0 | 112.4 | M189 M253 P254 I256 S327 V328 R329 R333 K335 L336 | M189-Y331 HydrophobicContact CE-CD2 4.25Å; M253-Y331 HydrophobicContact CE-CE1 4.11Å; P254-Y331 HydrophobicContact CG-CD2 3.57Å; P254-Y331 HydrophobicContact CG-CE1 4.4Å; P254-Y331 HydrophobicContact CG-CE2 3.31Å; P254-Y331 HydrophobicContact CG-CG 4.23Å; I256-Y331 HydrophobicContact CG2-CD1 3.63Å; I256-Y331 HydrophobicContact CG2-CE1 4.02Å; I256-Y331 HydrophobicContact CG2-CG 4.31Å; S327-Y331 WeakPolarHBondContact O-CB 3.36Å; S327-Y331 PolarHBondContact O-N 3.08Å; V328-Y331 WeakPolarHBondContact O-CB 3.24Å; V328-Y331 PolarHBondContact O-N 3.06Å; V328-Y331 VanDerWaalsContact O-N 3.16Å; R329-Y331 VanDerWaalsContact C-N 3.32Å; Y331-R333 VanDerWaalsContact C-N 3.35Å; Y331-R333 PolarHBondContact O-N 3.38Å; Y331-K335 HydrophobicContact CD1-CB 4.43Å; Y331-K335 HydrophobicContact CD2-CB 3.95Å; Y331-K335 HydrophobicContact CD2-CG 3.79Å; Y331-K335 HydrophobicContact CE1-CB 4.33Å; Y331-K335 HydrophobicContact CE2-CB 3.83Å; Y331-K335 HydrophobicContact CE2-CG 3.78Å; Y331-K335 HydrophobicContact CG-CB 4.25Å; Y331-K335 HydrophobicContact CG-CG 4.48Å; Y331-K335 WeakPolarHBondContact O-CA 3.46Å; Y331-K335 VanDerWaalsContact O-CB 3.32Å; Y331-K335 WeakPolarHBondContact O-CB 3.19Å; Y331-K335 PolarHBondContact O-N 3.08Å; Y331-L336 HydrophobicContact CD1-CD1 3.88Å; Y331-L336 HydrophobicContact CD1-CG 3.99Å; Y331-L336 HydrophobicContact CE1-CD1 3.78Å; Y331-L336 HydrophobicContact CE1-CD2 4.06Å; Y331-L336 HydrophobicContact CE1-CG 3.7Å; Y331-L336 PolarHBondContact O-N 3.27Å |
| 332 | F | 91.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 67.1 Ų | 67.1 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.5 | -47.7 | 175.9 | -88.5 | -75.8 | 0 | 0 | 0 | 112.5 | I256 Y258 V328 R329 L336 D337 S338 E340 | I256-F332 HydrophobicContact CB-CE2 4.16Å; I256-F332 HydrophobicContact CB-CZ 4.47Å; I256-F332 HydrophobicContact CD1-CZ 4.01Å; Y258-F332 HydrophobicContact CD1-CE2 4.29Å; Y258-F332 HydrophobicContact CD1-CZ 4.03Å; Y258-F332 HydrophobicContact CE1-CE2 4.42Å; Y258-F332 AromaticContact CE1-CZ 3.75Å; Y258-F332 HydrophobicContact CE1-CZ 3.75Å; V328-F332 HydrophobicContact CG1-CD2 3.81Å; V328-F332 HydrophobicContact CG1-CE2 3.65Å; V328-F332 VanDerWaalsContact O-CD2 3.3Å; V328-F332 WeakPolarHBondContact O-CD2 3.08Å; V328-F332 PolarHBondContact O-N 3.39Å; R329-F332 PolarHBondContact O-N 3.34Å; F332-L336 HydrophobicContact CD1-CD1 3.67Å; F332-L336 HydrophobicContact CE1-CD1 3.66Å; F332-L336 HydrophobicContact CG-CD1 4.3Å; F332-L336 HydrophobicContact CZ-CD1 4.29Å; F332-L336 CarbonylContact O-C 3.59Å; F332-L336 PolarHBondContact O-N 3.25Å; F332-D337 PolarHBondContact O-N 3.48Å; F332-S338 CarbonylContact C-O 3.58Å; F332-S338 PolarHBondContact O-N 3.16Å; F332-E340 HydrophobicContact CB-CB 4.04Å; F332-E340 HydrophobicContact CD2-CB 4Å; F332-E340 HydrophobicContact CG-CB 3.93Å |
| 333 | R | 91.7 | Very high | 91.6 | Very high | 135 Ų | 135 | 70.6 Ų | 70.6 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.2 | -44.7 | -176.4 | -68.8 | 179.8 | -176.7 | -168 | -0.3 | 113.3 | R329 S330 Y331 | R329-R333 WeakPolarHBondContact O-CG 3.13Å; R329-R333 PolarHBondContact O-N 3.25Å; R329-R333 VanDerWaalsContact O-N 3.15Å; S330-R333 PolarHBondContact O-N 2.56Å; Y331-R333 VanDerWaalsContact C-N 3.35Å; Y331-R333 PolarHBondContact O-N 3.38Å |
| 334 | Y | 91 | Very high | 91.4 | Very high | 197 Ų | 197 | 76.1 Ų | 76.1 | 77% | 0.773 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -98.3 | -30.1 | -169.4 | -62.4 | -61.9 | 0 | 0 | 0 | 114.3 | S330 | S330-Y334 WeakPolarHBondContact O-CB 3.41Å; S330-Y334 WeakPolarHBondContact O-CD2 3.49Å; S330-Y334 PolarHBondContact O-N 3.43Å |
| 335 | K | 89.5 | Confident | 91.2 | Very high | 149 Ų | 149 | 78.6 Ų | 78.6 | 65% | 0.648 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -45.8 | -178.6 | -70 | -69.7 | -169.7 | 175.7 | 0 | 112.1 | Y331 | Y331-K335 HydrophobicContact CD1-CB 4.43Å; Y331-K335 HydrophobicContact CD2-CB 3.95Å; Y331-K335 HydrophobicContact CD2-CG 3.79Å; Y331-K335 HydrophobicContact CE1-CB 4.33Å; Y331-K335 HydrophobicContact CE2-CB 3.83Å; Y331-K335 HydrophobicContact CE2-CG 3.78Å; Y331-K335 HydrophobicContact CG-CB 4.25Å; Y331-K335 HydrophobicContact CG-CG 4.48Å; Y331-K335 WeakPolarHBondContact O-CA 3.46Å; Y331-K335 VanDerWaalsContact O-CB 3.32Å; Y331-K335 WeakPolarHBondContact O-CB 3.19Å; Y331-K335 PolarHBondContact O-N 3.08Å |
| 336 | L | 87.3 | Confident | 91 | Very high | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.005 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -88.5 | -15.1 | -178.1 | -61.8 | 174.8 | 0 | 0 | 0 | 113.3 | P288 G290 L293 Y331 F332 S338 | P288-L336 HydrophobicContact CB-CD2 4Å; P288-L336 HydrophobicContact CG-CD2 3.88Å; G290-L336 CarbonylContact C-O 3.58Å; G290-L336 WeakPolarHBondContact CA-O 3.34Å; G290-L336 PolarHBondContact N-O 3.25Å; L293-L336 HydrophobicContact CD1-CD2 4.19Å; L293-L336 HydrophobicContact CD2-CD1 4.21Å; Y331-L336 HydrophobicContact CD1-CD1 3.88Å; Y331-L336 HydrophobicContact CD1-CG 3.99Å; Y331-L336 HydrophobicContact CE1-CD1 3.78Å; Y331-L336 HydrophobicContact CE1-CD2 4.06Å; Y331-L336 HydrophobicContact CE1-CG 3.7Å; Y331-L336 PolarHBondContact O-N 3.27Å; F332-L336 HydrophobicContact CD1-CD1 3.67Å; F332-L336 HydrophobicContact CE1-CD1 3.66Å; F332-L336 HydrophobicContact CG-CD1 4.3Å; F332-L336 HydrophobicContact CZ-CD1 4.29Å; F332-L336 CarbonylContact O-C 3.59Å; F332-L336 PolarHBondContact O-N 3.25Å; L336-S338 WeakPolarHBondContact CB-OG 3.39Å; L336-S338 PolarHBondContact O-N 3.14Å |
| 337 | D | 88.1 | Confident | 90.9 | Very high | 137 Ų | 137 | 86.1 Ų | 86.1 | 73% | 0.733 | 42% | 0.415 | S | S | * | . | trans | 47.9 | 43.1 | -175.4 | -164.3 | 29.1 | 0 | 0 | 0 | 112.4 | F332 | F332-D337 PolarHBondContact O-N 3.48Š| ||
| 338 | S | 85.9 | Confident | 90.7 | Very high | 21 Ų | 21 | 91.3 Ų | 91.3 | 15% | 0.147 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -135.6 | 150.5 | -178.5 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | F332 L336 | F332-S338 CarbonylContact C-O 3.58Å; F332-S338 PolarHBondContact O-N 3.16Å; L336-S338 WeakPolarHBondContact CB-OG 3.39Å; L336-S338 PolarHBondContact O-N 3.14Å |
| 339 | P | 88.6 | Confident | 90.2 | Very high | 118 Ų | 118 | 97.1 Ų | 97.1 | 77% | 0.766 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 135.8 | 173.7 | 28.2 | -33.4 | 0 | 0 | 0 | 110 | ||
| 340 | E | 89.6 | Confident | 89.4 | Confident | 41 Ų | 41 | 97.2 Ų | 97.2 | 19% | 0.192 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 135.2 | 177.3 | 72.1 | -171.1 | 145.5 | 0 | 0 | 110.7 | R329 F332 V342 | R329-E340 WeakPolarHBondContact CA-OE2 3.24Å; R329-E340 WeakPolarHBondContact CB-OE2 3.5Å; R329-E340 WeakPolarHBondContact CD-OE1 3.43Å; R329-E340 VanDerWaalsContact CG-OE1 3.25Å; R329-E340 WeakPolarHBondContact CG-OE1 3.38Å; R329-E340 VanDerWaalsContact CG-OE2 3.32Å; R329-E340 WeakPolarHBondContact CG-OE2 3.48Å; F332-E340 HydrophobicContact CB-CB 4.04Å; F332-E340 HydrophobicContact CD2-CB 4Å; F332-E340 HydrophobicContact CG-CB 3.93Å; E340-V342 HydrophobicContact CG-CG2 4.17Å |
| 341 | P | 89.4 | Confident | 88.7 | Confident | 44 Ų | 44 | 106.7 Ų | 106.7 | 29% | 0.286 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 132.2 | 171.9 | 31.7 | -34 | 0 | 0 | 0 | 110.3 | Y258 F343 | Y258-P341 HydrophobicContact CD1-CG 3.69Å; Y258-P341 HydrophobicContact CD2-CG 4.15Å; Y258-P341 HydrophobicContact CE1-CG 3.96Å; Y258-P341 HydrophobicContact CE2-CG 4.35Å; Y258-P341 HydrophobicContact CG-CG 3.81Å; P341-F343 HydrophobicContact CB-CE2 3.74Å; P341-F343 HydrophobicContact CB-CZ 4.17Å; P341-F343 HydrophobicContact CG-CE2 4.19Å |
| 342 | V | 92.5 | Very high | 88 | Confident | 90 Ų | 90 | 109.3 Ų | 109.3 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | B | Isolated β-bridge | trans | -118.1 | 127 | 178.4 | -178 | 0 | 0 | 0 | 0 | 109 | Q259 E340 | Q259-V342 HydrophobicContact CB-CG1 4.23Å; Q259-V342 HydrophobicContact CB-CG2 4.36Å; Q259-V342 HydrophobicContact CG-CG1 4.32Å; E340-V342 HydrophobicContact CG-CG2 4.17Å |
| 343 | F | 93.2 | Very high | 87.5 | Confident | 73 Ų | 73 | 111 Ų | 111 | 32% | 0.32 | 56% | 0.555 | S | S | . | * | trans | -112.2 | 152.2 | -179.3 | -61.7 | -90.8 | 0 | 0 | 0 | 110.6 | I216 Y258 Q259 G260 T261 P341 | I216-F343 HydrophobicContact CB-CZ 4.31Å; I216-F343 HydrophobicContact CG2-CE1 3.94Å; I216-F343 HydrophobicContact CG2-CZ 4.11Å; Y258-F343 HydrophobicContact CD2-CD2 4.21Å; Y258-F343 AromaticContact CD2-CE2 3.37Å; Y258-F343 HydrophobicContact CD2-CE2 3.37Å; Y258-F343 HydrophobicContact CD2-CZ 4.04Å; Y258-F343 HydrophobicContact CE2-CE2 4.26Å; Y258-F343 HydrophobicContact CG-CD2 4.4Å; Y258-F343 AromaticContact CG-CE2 3.83Å; Y258-F343 HydrophobicContact CG-CE2 3.83Å; Q259-F343 WeakPolarHBondContact O-CB 3.34Å; Q259-F343 PolarHBondContact O-N 3.07Å; G260-F343 WeakPolarHBondContact CA-O 3.44Å; T261-F343 HydrophobicContact CG2-CB 3.94Å; T261-F343 HydrophobicContact CG2-CD2 3.39Å; T261-F343 HydrophobicContact CG2-CE2 4.03Å; T261-F343 HydrophobicContact CG2-CG 3.72Å; P341-F343 HydrophobicContact CB-CE2 3.74Å; P341-F343 HydrophobicContact CB-CZ 4.17Å; P341-F343 HydrophobicContact CG-CE2 4.19Å | ||
| 344 | E | 91.8 | Very high | 87.3 | Confident | 166 Ų | 166 | 110.1 Ų | 110.1 | 78% | 0.776 | 57% | 0.567 | S | S | * | * | trans | -134.3 | 138.9 | 173.2 | -172.7 | 178.6 | -179.7 | 0 | 0 | 109.1 | Q346 | E344-Q346 PolarHBondContact O-N 3.35Å; E344-Q346 VanDerWaalsContact O-N 3.08Å | ||
| 345 | I | 90.8 | Very high | 87.2 | Confident | 119 Ų | 119 | 106.1 Ų | 106.1 | 61% | 0.61 | 56% | 0.555 | S | S | * | * | trans | -74.6 | 102.2 | 176.4 | -58.6 | 175.6 | 0 | 0 | 0 | 108.8 | F347 | I345-F347 HydrophobicContact CG2-CD1 4.48Å; I345-F347 HydrophobicContact CG2-CD2 4.44Å; I345-F347 HydrophobicContact CG2-CE1 4.1Å; I345-F347 HydrophobicContact CG2-CE2 4.05Å; I345-F347 HydrophobicContact CG2-CZ 3.88Å; I345-F347 PolarHBondContact O-N 2.63Å | ||
| 346 | Q | 90.4 | Very high | 86.9 | Confident | 170 Ų | 170 | 104.3 Ų | 104.3 | 79% | 0.794 | 55% | 0.549 | S | S | * | . | trans | -84.9 | 104.9 | 171.7 | -65.6 | -173.7 | 4.8 | 0 | 0 | 110 | E344 | E344-Q346 PolarHBondContact O-N 3.35Å; E344-Q346 VanDerWaalsContact O-N 3.08Å | ||
| 347 | F | 90.3 | Very high | 86.9 | Confident | 168 Ų | 168 | 112.9 Ų | 112.9 | 74% | 0.737 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 138.9 | 171.9 | -67 | -76.7 | 0 | 0 | 0 | 110.3 | I345 D349 | I345-F347 HydrophobicContact CG2-CD1 4.48Å; I345-F347 HydrophobicContact CG2-CD2 4.44Å; I345-F347 HydrophobicContact CG2-CE1 4.1Å; I345-F347 HydrophobicContact CG2-CE2 4.05Å; I345-F347 HydrophobicContact CG2-CZ 3.88Å; I345-F347 PolarHBondContact O-N 2.63Å; F347-D349 PolarHBondContact O-N 3.41Å |
| 348 | P | 90.1 | Very high | 86.7 | Confident | 119 Ų | 119 | 113.6 Ų | 113.6 | 77% | 0.773 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 134.4 | 177 | 26.4 | -33.7 | 0 | 0 | 0 | 109.9 | ||
| 349 | D | 82.5 | Confident | 86.2 | Confident | 124 Ų | 124 | 114.9 Ų | 114.9 | 66% | 0.663 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 143.5 | 175.3 | -80.6 | -48 | 0 | 0 | 0 | 111.2 | F347 R351 R399 | F347-D349 PolarHBondContact O-N 3.41Å; D349-R351 PolarHBondContact O-N 3.03Å; D349-R399 IonicContact OD1-NH2 2.91Å |
| 350 | A | 78.1 | Confident | 85.4 | Confident | 91 Ų | 91 | 113.6 Ų | 113.6 | 75% | 0.752 | 58% | 0.581 | S | S | * | * | trans | -58.8 | 115.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L352 | A350-L352 PolarHBondContact O-N 2.81Å; A350-L352 VanDerWaalsContact O-N 3.08Å | ||
| 351 | R | 78.2 | Confident | 84.2 | Confident | 243 Ų | 243 | 114.4 Ų | 114.4 | 92% | 0.917 | 59% | 0.594 | S | S | * | * | trans | -66.2 | 110.8 | 177 | -70.4 | -174.4 | -178.1 | 174.3 | 1.2 | 110.1 | D349 | D349-R351 PolarHBondContact O-N 3.03Š| ||
| 352 | L | 77.9 | Confident | 82.7 | Confident | 80 Ų | 80 | 117.1 Ų | 117.1 | 42% | 0.419 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -77.1 | 142.1 | 169.6 | -61.6 | 171.4 | 0 | 0 | 0 | 109.4 | A350 R395 Y396 | A350-L352 PolarHBondContact O-N 2.81Å; A350-L352 VanDerWaalsContact O-N 3.08Å; L352-R395 HydrophobicContact CD1-CB 4.3Å; L352-R395 WeakPolarHBondContact CD1-O 3Å; L352-R395 HydrophobicContact CD2-CB 4.4Å; L352-Y396 HydrophobicContact CB-CE1 4.05Å; L352-Y396 HydrophobicContact CD1-CD1 4.35Å; L352-Y396 HydrophobicContact CD1-CE1 4.37Å |
| 353 | P | 80.9 | Confident | 80.9 | Confident | 45 Ų | 45 | 115.5 Ų | 115.5 | 29% | 0.292 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 160 | 169.2 | 29.8 | -34.4 | 0 | 0 | 0 | 109.8 | Q355 H384 Y396 | P353-Q355 PolarHBondContact O-N 3.22Å; P353-H384 WeakPolarHBondContact CD-CD2 3.1Å; P353-H384 WeakPolarHBondContact CD-NE2 3.18Å; P353-H384 HydrophobicContact CG-CB 3.77Å; P353-H384 VanDerWaalsContact CG-CD2 3.41Å; P353-H384 WeakPolarHBondContact CG-CD2 3.45Å; P353-Y396 VanDerWaalsContact O-CE1 3.29Å; P353-Y396 WeakPolarHBondContact O-CE1 3.49Å; P353-Y396 PolarHBondContact O-OH 3.32Å |
| 354 | P | 86.7 | Confident | 78.8 | Confident | 116 Ų | 116 | 123.6 Ų | 123.6 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 136.8 | 174.5 | 25 | -34.3 | 0 | 0 | 0 | 110.5 | Q356 | P354-Q356 PolarHBondContact O-N 3.49Å; P354-Q356 VanDerWaalsContact O-N 3.16Å |
| 355 | Q | 88.7 | Confident | 76.6 | Confident | 113 Ų | 113 | 122.5 Ų | 122.5 | 53% | 0.528 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 119.5 | -179.8 | -168.5 | -177.5 | 24.4 | 0 | 0 | 109.9 | P353 Y392 Y396 | P353-Q355 PolarHBondContact O-N 3.22Å; Q355-Y392 HydrophobicContact CG-CE1 4.25Å; Q355-Y396 HydrophobicContact CB-CD1 3.9Å; Q355-Y396 HydrophobicContact CB-CD2 4.43Å; Q355-Y396 HydrophobicContact CB-CE1 3.9Å; Q355-Y396 HydrophobicContact CB-CE2 4.45Å; Q355-Y396 HydrophobicContact CB-CG 4.17Å; Q355-Y396 HydrophobicContact CG-CD1 4.22Å; Q355-Y396 HydrophobicContact CG-CD2 3.9Å; Q355-Y396 HydrophobicContact CG-CE1 4.4Å; Q355-Y396 HydrophobicContact CG-CE2 4.1Å; Q355-Y396 HydrophobicContact CG-CG 3.96Å |
| 356 | Q | 84.6 | Confident | 74.6 | Confident | 111 Ų | 111 | 124.1 Ų | 124.1 | 52% | 0.519 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -78.8 | 139.1 | 172.3 | -63.4 | -177.2 | -2.1 | 0 | 0 | 110.2 | P354 F358 Y392 | P354-Q356 PolarHBondContact O-N 3.49Å; P354-Q356 VanDerWaalsContact O-N 3.16Å; Q356-F358 PolarHBondContact O-N 3.48Å; Q356-Y392 WeakPolarHBondContact CA-OH 3.12Å; Q356-Y392 PolarHBondContact N-OH 2.82Å; Q356-Y392 PolarHBondContact O-OH 3.03Å |
| 357 | K | 86.8 | Confident | 72.4 | Confident | 182 Ų | 182 | 121.1 Ų | 121.1 | 79% | 0.791 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -61.6 | -35.2 | 172.1 | -173.1 | 174.5 | -178.7 | 175.3 | 0 | 112.1 | ||
| 358 | F | 83.7 | Confident | 70.5 | Confident | 152 Ų | 152 | 120.3 Ų | 120.3 | 67% | 0.667 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -133.2 | 92.5 | 177.2 | -58.7 | -70.9 | 0 | 0 | 0 | 108.9 | Q356 V360 | Q356-F358 PolarHBondContact O-N 3.48Å; F358-V360 PolarHBondContact O-N 3.18Å |
| 359 | P | 76.2 | Confident | 68.3 | Low | 48 Ų | 48 | 123.5 Ų | 123.5 | 31% | 0.312 | 61% | 0.612 | S | S | . | * | trans | -70.2 | 94.2 | 175.5 | 29.6 | -34.3 | 0 | 0 | 0 | 109.1 | A361 Y392 | P359-A361 PolarHBondContact O-N 3.4Å; P359-Y392 HydrophobicContact CB-CD1 4.31Å; P359-Y392 HydrophobicContact CB-CD2 3.97Å; P359-Y392 HydrophobicContact CB-CE1 4.01Å; P359-Y392 HydrophobicContact CB-CE2 3.63Å; P359-Y392 HydrophobicContact CB-CG 4.28Å; P359-Y392 HydrophobicContact CG-CD1 3.81Å; P359-Y392 HydrophobicContact CG-CD2 4.32Å; P359-Y392 HydrophobicContact CG-CE1 3.65Å; P359-Y392 HydrophobicContact CG-CE2 4.18Å; P359-Y392 HydrophobicContact CG-CG 4.13Å | ||
| 360 | V | 71.8 | Confident | 66.6 | Low | 90 Ų | 90 | 120.9 Ų | 120.9 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | trans | -77.7 | 123.9 | 177.7 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | F358 D362 S385 | F358-V360 PolarHBondContact O-N 3.18Å; V360-D362 PolarHBondContact O-N 3.29Å; V360-D362 VanDerWaalsContact O-N 3.08Å; V360-S385 WeakPolarHBondContact O-CB 3.39Å | ||
| 361 | A | 64.1 | Low | 65.2 | Low | 58 Ų | 58 | 122.9 Ų | 122.9 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | trans | -69.7 | 100.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | P359 T363 S385 D386 | P359-A361 PolarHBondContact O-N 3.4Å; A361-T363 PolarHBondContact O-N 2.9Å; A361-S385 WeakPolarHBondContact CA-O 3.44Å; A361-D386 WeakPolarHBondContact CA-OD1 3.3Å; A361-D386 VanDerWaalsContact CB-OD1 3.24Å; A361-D386 WeakPolarHBondContact CB-OD1 3.32Å | ||
| 362 | D | 58.1 | Low | 63.8 | Low | 102 Ų | 102 | 118.6 Ų | 118.6 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -73.8 | -4.7 | 178.7 | -80 | -9.5 | 0 | 0 | 0 | 113.1 | V360 W364 D386 | V360-D362 PolarHBondContact O-N 3.29Å; V360-D362 VanDerWaalsContact O-N 3.08Å; D362-W364 VanDerWaalsContact C-N 3.35Å; D362-W364 PolarHBondContact O-N 3.45Å; D362-D386 PolarHBondContact N-OD1 3.34Å; D362-D386 VanDerWaalsContact N-OD1 3.14Å |
| 363 | T | 53.4 | Low | 62.1 | Low | 56 Ų | 56 | 116.7 Ų | 116.7 | 34% | 0.344 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -74.1 | -8 | -172.5 | 45.3 | 0 | 0 | 0 | 0 | 117.2 | A361 N365 D386 | A361-T363 PolarHBondContact O-N 2.9Å; T363-N365 VanDerWaalsContact C-N 3.32Å; T363-N365 PolarHBondContact O-N 3.16Å; T363-D386 VanDerWaalsContact CB-OD1 3.23Å; T363-D386 WeakPolarHBondContact CB-OD1 3.45Å; T363-D386 HydrophobicContact CG2-CB 3.63Å; T363-D386 WeakPolarHBondContact CG2-OD1 3.37Å; T363-D386 WeakPolarHBondContact CG2-OD2 3.14Å; T363-D386 PolarHBondContact N-OD1 2.97Å; T363-D386 PolarHBondContact OG1-OD1 3.1Å |
| 364 | W | 49.4 | Very low | 60.3 | Low | 242 Ų | 242 | 119.3 Ų | 119.3 | 92% | 0.917 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -70.9 | -28.4 | 178.7 | -160.7 | -90.6 | 0 | 0 | 0 | 113 | D362 | D362-W364 VanDerWaalsContact C-N 3.35Å; D362-W364 PolarHBondContact O-N 3.45Å |
| 365 | N | 45.7 | Very low | 58.2 | Low | 143 Ų | 143 | 118.8 Ų | 118.8 | 77% | 0.765 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -107.4 | -3.5 | -171.1 | -67.9 | -15.9 | 0 | 0 | 0 | 115 | T363 | T363-N365 VanDerWaalsContact C-N 3.32Å; T363-N365 PolarHBondContact O-N 3.16Å |
| 366 | K | 49.1 | Very low | 56.2 | Low | 153 Ų | 153 | 116.8 Ų | 116.8 | 67% | 0.665 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -124.2 | 105.5 | 179 | -72.1 | 176.3 | -177.4 | 168.2 | 0 | 110 | R368 | K366-R368 PolarHBondContact O-N 2.97Å; K366-R368 VanDerWaalsContact O-N 3.1Å |
| 367 | P | 45 | Very low | 54.4 | Low | 108 Ų | 108 | 118.4 Ų | 118.4 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | trans | -60.4 | 120.1 | 175.5 | 23.9 | -31.3 | 0 | 0 | 0 | 109.1 | R369 | P367-R369 PolarHBondContact O-N 2.91Š| ||
| 368 | R | 50.5 | Low | 52.5 | Low | 150 Ų | 150 | 120.7 Ų | 120.7 | 57% | 0.566 | 61% | 0.605 | S | S | * | * | trans | -55.1 | 103 | -178.5 | -72.1 | -177.8 | -82.4 | -154.9 | -9.7 | 110.6 | K366 | K366-R368 PolarHBondContact O-N 2.97Å; K366-R368 VanDerWaalsContact O-N 3.1Å | ||
| 369 | R | 43.8 | Very low | 50.5 | Low | 186 Ų | 186 | 120.2 Ų | 120.2 | 70% | 0.702 | 61% | 0.605 | S | S | * | * | trans | -121.4 | 129.5 | 163.2 | -63.6 | -172.7 | -162.9 | -110.1 | 4 | 107.3 | P367 | P367-R369 PolarHBondContact O-N 2.91Š| ||
| 370 | H | 45.3 | Very low | 49 | Very low | 69 Ų | 69 | 128.1 Ų | 128.1 | 32% | 0.319 | 63% | 0.628 | S | S | . | * | trans | -47.8 | 152.9 | 156.7 | -169.7 | -101.1 | 0 | 0 | 0 | 108.5 | Q372 G373 I374 | H370-Q372 PolarHBondContact CE1-OE1 3.04Å; H370-Q372 VanDerWaalsContact CE1-OE1 3.28Å; H370-Q372 WeakPolarHBondContact ND1-CB 3.17Å; H370-Q372 PolarHBondContact ND1-N 3.16Å; H370-Q372 PolarHBondContact ND1-OE1 3.45Å; H370-Q372 PolarHBondContact O-N 3.41Å; H370-G373 PolarHBondContact O-N 3.19Å; H370-I374 HydrophobicContact CB-CB 4.14Å; H370-I374 WeakPolarHBondContact CB-O 3.47Å; H370-I374 PolarHBondContact N-O 3.41Å; H370-I374 VanDerWaalsContact N-O 3.13Å | ||
| 371 | P | 49.1 | Very low | 47.6 | Very low | 134 Ų | 134 | 134 Ų | 134 | 87% | 0.87 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | -19.5 | 171.5 | -27.8 | 34.5 | 0 | 0 | 0 | 114 | ||
| 372 | Q | 49.3 | Very low | 46.8 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 72% | 0.715 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 16.5 | 175.7 | -55.3 | 165.7 | -19.8 | 0 | 0 | 114.5 | H370 I374 | H370-Q372 PolarHBondContact CE1-OE1 3.04Å; H370-Q372 VanDerWaalsContact CE1-OE1 3.28Å; H370-Q372 WeakPolarHBondContact ND1-CB 3.17Å; H370-Q372 PolarHBondContact ND1-N 3.16Å; H370-Q372 PolarHBondContact ND1-OE1 3.45Å; H370-Q372 PolarHBondContact O-N 3.41Å; Q372-I374 PolarHBondContact O-N 2.87Å |
| 373 | G | 41.1 | Very low | 46.4 | Very low | 40 Ų | 40 | 132.6 Ų | 132.6 | 41% | 0.412 | 64% | 0.642 | S | S | . | * | S | Bend | trans | 82.5 | 2.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | H370 | H370-G373 PolarHBondContact O-N 3.19Š|
| 374 | I | 43.2 | Very low | 46.4 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 51% | 0.508 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -78.9 | 133.8 | -179.6 | -52.2 | 172.7 | 0 | 0 | 0 | 110.3 | H370 Q372 L376 | H370-I374 HydrophobicContact CB-CB 4.14Å; H370-I374 WeakPolarHBondContact CB-O 3.47Å; H370-I374 PolarHBondContact N-O 3.41Å; H370-I374 VanDerWaalsContact N-O 3.13Å; Q372-I374 PolarHBondContact O-N 2.87Å; I374-L376 PolarHBondContact O-N 2.91Å |
| 375 | P | 43.8 | Very low | 46.6 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 69% | 0.688 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -66 | 122.4 | 172.6 | 25.8 | -31.7 | 0 | 0 | 0 | 110 | I377 | P375-I377 PolarHBondContact O-N 2.69Š|
| 376 | L | 47.1 | Very low | 47.3 | Very low | 70 Ų | 70 | 117.6 Ų | 117.6 | 37% | 0.366 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 119.5 | 178.7 | -67.9 | 168.8 | 0 | 0 | 0 | 109.7 | I374 | I374-L376 PolarHBondContact O-N 2.91Š|
| 377 | I | 47 | Very low | 48.1 | Very low | 145 Ų | 145 | 112.6 Ų | 112.6 | 74% | 0.744 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 139.3 | 165.2 | -96.4 | 160.1 | 0 | 0 | 0 | 109.1 | P375 E379 | P375-I377 PolarHBondContact O-N 2.69Å; I377-E379 PolarHBondContact O-N 2.96Å |
| 378 | R | 46.1 | Very low | 49.5 | Very low | 231 Ų | 231 | 109.3 Ų | 109.3 | 87% | 0.872 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -0 | -165.4 | -91.4 | 179.5 | 174.2 | 178.8 | -2.1 | 117.5 | ||
| 379 | E | 42.4 | Very low | 50.9 | Low | 141 Ų | 141 | 107.1 Ų | 107.1 | 66% | 0.659 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.3 | 17.5 | -167.7 | -62.9 | -173.3 | 161.3 | 0 | 0 | 115.6 | I377 Y381 | I377-E379 PolarHBondContact O-N 2.96Å; E379-Y381 PolarHBondContact O-N 3.06Å; E379-Y381 VanDerWaalsContact O-N 3.14Å |
| 380 | R | 42.9 | Very low | 52.7 | Low | 214 Ų | 214 | 98.7 Ų | 98.7 | 81% | 0.808 | 50% | 0.503 | S | S | * | . | trans | -76.3 | 109 | 173.1 | -96.3 | -170.6 | -165.9 | -141.3 | 3.2 | 112.5 | G382 | R380-G382 PolarHBondContact O-N 3.22Š| ||
| 381 | Y | 43.6 | Very low | 54.3 | Low | 213 Ų | 213 | 97.5 Ų | 97.5 | 84% | 0.835 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -33.9 | 115.1 | 154.4 | -60.2 | -89.6 | 0 | 0 | 0 | 110.7 | E379 | E379-Y381 PolarHBondContact O-N 3.06Å; E379-Y381 VanDerWaalsContact O-N 3.14Å |
| 382 | G | 46.7 | Very low | 55.9 | Low | 53 Ų | 53 | 91.5 Ų | 91.5 | 55% | 0.546 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 164.5 | -24.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | R380 | R380-G382 PolarHBondContact O-N 3.22Š|
| 383 | V | 50.2 | Low | 57.7 | Low | 78 Ų | 78 | 87.4 Ų | 87.4 | 47% | 0.473 | 44% | 0.443 | S | S | . | . | trans | -112.2 | 106 | 174.2 | -165.7 | 0 | 0 | 0 | 0 | 108.8 | S385 D386 | V383-S385 VanDerWaalsContact C-N 3.3Å; V383-S385 VanDerWaalsContact CG1-OG 3.3Å; V383-S385 WeakPolarHBondContact CG1-OG 3.37Å; V383-D386 HydrophobicContact CG1-CB 4.24Å; V383-D386 WeakPolarHBondContact CG1-OD2 3.32Å | ||
| 384 | H | 52.5 | Low | 59.8 | Low | 58 Ų | 58 | 86.7 Ų | 86.7 | 27% | 0.269 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -73.6 | -23.5 | -172.6 | -65.6 | 84.5 | 0 | 0 | 0 | 112.9 | P353 Y392 | P353-H384 WeakPolarHBondContact CD-CD2 3.1Å; P353-H384 WeakPolarHBondContact CD-NE2 3.18Å; P353-H384 HydrophobicContact CG-CB 3.77Å; P353-H384 VanDerWaalsContact CG-CD2 3.41Å; P353-H384 WeakPolarHBondContact CG-CD2 3.45Å; H384-Y392 WeakPolarHBondContact O-CD2 3.46Å |
| 385 | S | 55.3 | Low | 61.7 | Low | 26 Ų | 26 | 84.8 Ų | 84.8 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -79.5 | -23.9 | -179.1 | 40.7 | 0 | 0 | 0 | 0 | 114.6 | V360 A361 V383 | V360-S385 WeakPolarHBondContact O-CB 3.39Å; A361-S385 WeakPolarHBondContact CA-O 3.44Å; V383-S385 VanDerWaalsContact C-N 3.3Å; V383-S385 VanDerWaalsContact CG1-OG 3.3Å; V383-S385 WeakPolarHBondContact CG1-OG 3.37Å |
| 386 | D | 60.4 | Low | 63.8 | Low | 42 Ų | 42 | 82.2 Ų | 82.2 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -113.3 | 44.2 | -164.7 | -60.8 | -68.4 | 0 | 0 | 0 | 112.7 | A361 D362 T363 V383 | A361-D386 WeakPolarHBondContact CA-OD1 3.3Å; A361-D386 VanDerWaalsContact CB-OD1 3.24Å; A361-D386 WeakPolarHBondContact CB-OD1 3.32Å; D362-D386 PolarHBondContact N-OD1 3.34Å; D362-D386 VanDerWaalsContact N-OD1 3.14Å; T363-D386 VanDerWaalsContact CB-OD1 3.23Å; T363-D386 WeakPolarHBondContact CB-OD1 3.45Å; T363-D386 HydrophobicContact CG2-CB 3.63Å; T363-D386 WeakPolarHBondContact CG2-OD1 3.37Å; T363-D386 WeakPolarHBondContact CG2-OD2 3.14Å; T363-D386 PolarHBondContact N-OD1 2.97Å; T363-D386 PolarHBondContact OG1-OD1 3.1Å; V383-D386 HydrophobicContact CG1-CB 4.24Å; V383-D386 WeakPolarHBondContact CG1-OD2 3.32Å |
| 387 | V | 65.9 | Low | 65.8 | Low | 48 Ų | 48 | 82.8 Ų | 82.8 | 29% | 0.291 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -118.5 | 154.9 | 171.2 | -111.1 | 0 | 0 | 0 | 0 | 108.9 | V391 | V387-V391 HydrophobicContact CB-CB 4.17Å; V387-V391 HydrophobicContact CB-CG1 4.11Å; V387-V391 HydrophobicContact CG1-CB 4.05Å; V387-V391 HydrophobicContact CG1-CG1 3.6Å |
| 388 | S | 73.9 | Confident | 67.9 | Low | 40 Ų | 40 | 81.1 Ų | 81.1 | 28% | 0.28 | 38% | 0.383 | S | S | . | . | trans | -59.2 | 149.1 | 171.6 | 51.3 | 0 | 0 | 0 | 0 | 109.8 | D390 V391 Y392 | S388-D390 WeakPolarHBondContact CB-OD1 3.41Å; S388-D390 PolarHBondContact O-N 3.48Å; S388-D390 VanDerWaalsContact O-N 3.15Å; S388-D390 PolarHBondContact OG-OD1 3.45Å; S388-V391 PolarHBondContact O-N 3.41Å; S388-V391 WeakPolarHBondContact OG-CG2 3.38Å; S388-Y392 PolarHBondContact O-N 3.39Å | ||
| 389 | F | 80.4 | Confident | 69.8 | Low | 104 Ų | 104 | 78.1 Ų | 78.1 | 46% | 0.456 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.9 | -32.3 | -170.5 | 75.5 | -89.5 | 0 | 0 | 0 | 112.6 | Y392 L393 W443 | F389-Y392 PolarHBondContact O-N 3.15Å; F389-L393 HydrophobicContact CD2-CD1 4.07Å; F389-L393 WeakPolarHBondContact O-CB 3.33Å; F389-L393 WeakPolarHBondContact O-CG 3.13Å; F389-L393 PolarHBondContact O-N 3.39Å; F389-W443 HydrophobicContact CE1-CB 4.5Å; F389-W443 AromaticContact CE1-CD1 3.62Å; F389-W443 AromaticContact CE1-CD2 3.62Å; F389-W443 HydrophobicContact CE1-CD2 3.62Å; F389-W443 AromaticContact CE1-CE2 3.57Å; F389-W443 HydrophobicContact CE1-CE3 4.28Å; F389-W443 AromaticContact CE1-CG 3.68Å; F389-W443 HydrophobicContact CE1-CG 3.68Å; F389-W443 HydrophobicContact CE1-CZ2 4.16Å; F389-W443 AromaticContact CE1-NE1 3.55Å; F389-W443 HydrophobicContact CE2-CH2 4.43Å; F389-W443 HydrophobicContact CE2-CZ2 4.48Å; F389-W443 AromaticContact CZ-CD2 3.7Å; F389-W443 HydrophobicContact CZ-CD2 3.7Å; F389-W443 AromaticContact CZ-CE2 3.39Å; F389-W443 HydrophobicContact CZ-CE3 4.08Å; F389-W443 HydrophobicContact CZ-CG 4.27Å; F389-W443 AromaticContact CZ-CH2 3.79Å; F389-W443 HydrophobicContact CZ-CH2 3.79Å; F389-W443 AromaticContact CZ-CZ2 3.49Å; F389-W443 HydrophobicContact CZ-CZ2 3.49Å; F389-W443 VanDerWaalsContact CZ-CZ2 3.49Å; F389-W443 HydrophobicContact CZ-CZ3 4.09Å; F389-W443 AromaticContact CZ-NE1 3.78Å |
| 390 | D | 80.2 | Confident | 72.1 | Confident | 8 Ų | 8 | 79 Ų | 79 | 4% | 0.043 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.4 | -50.4 | 175.3 | 61.6 | -37.8 | 0 | 0 | 0 | 111.2 | S388 Y392 L393 D394 W443 Q447 | S388-D390 WeakPolarHBondContact CB-OD1 3.41Å; S388-D390 PolarHBondContact O-N 3.48Å; S388-D390 VanDerWaalsContact O-N 3.15Å; S388-D390 PolarHBondContact OG-OD1 3.45Å; D390-Y392 VanDerWaalsContact C-N 3.28Å; D390-Y392 PolarHBondContact O-N 3.29Å; D390-L393 PolarHBondContact O-N 3.38Å; D390-D394 WeakPolarHBondContact O-CB 3.37Å; D390-D394 PolarHBondContact O-N 3.02Å; D390-W443 HydrophobicContact CB-CE3 3.77Å; D390-W443 HydrophobicContact CB-CZ3 3.81Å; D390-Q447 VanDerWaalsContact OD2-CG 3.28Å; D390-Q447 WeakPolarHBondContact OD2-CG 3.21Å; D390-Q447 PolarHBondContact OD2-NE2 3.14Å |
| 391 | V | 79.7 | Confident | 74.5 | Confident | 44 Ų | 44 | 73.8 Ų | 73.8 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66 | -33.8 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | V387 S388 R395 | V387-V391 HydrophobicContact CB-CB 4.17Å; V387-V391 HydrophobicContact CB-CG1 4.11Å; V387-V391 HydrophobicContact CG1-CB 4.05Å; V387-V391 HydrophobicContact CG1-CG1 3.6Å; S388-V391 PolarHBondContact O-N 3.41Å; S388-V391 WeakPolarHBondContact OG-CG2 3.38Å; V391-R395 WeakPolarHBondContact O-CG 3.46Å |
| 392 | Y | 83.1 | Confident | 76.6 | Confident | 9 Ų | 9 | 65 Ų | 65 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -51 | 173.9 | 174.4 | -93.7 | 0 | 0 | 0 | 111.2 | Q355 Q356 P359 H384 S388 F389 D390 R395 Y396 | Q355-Y392 HydrophobicContact CG-CE1 4.25Å; Q356-Y392 WeakPolarHBondContact CA-OH 3.12Å; Q356-Y392 PolarHBondContact N-OH 2.82Å; Q356-Y392 PolarHBondContact O-OH 3.03Å; P359-Y392 HydrophobicContact CB-CD1 4.31Å; P359-Y392 HydrophobicContact CB-CD2 3.97Å; P359-Y392 HydrophobicContact CB-CE1 4.01Å; P359-Y392 HydrophobicContact CB-CE2 3.63Å; P359-Y392 HydrophobicContact CB-CG 4.28Å; P359-Y392 HydrophobicContact CG-CD1 3.81Å; P359-Y392 HydrophobicContact CG-CD2 4.32Å; P359-Y392 HydrophobicContact CG-CE1 3.65Å; P359-Y392 HydrophobicContact CG-CE2 4.18Å; P359-Y392 HydrophobicContact CG-CG 4.13Å; H384-Y392 WeakPolarHBondContact O-CD2 3.46Å; S388-Y392 PolarHBondContact O-N 3.39Å; F389-Y392 PolarHBondContact O-N 3.15Å; D390-Y392 VanDerWaalsContact C-N 3.28Å; D390-Y392 PolarHBondContact O-N 3.29Å; Y392-R395 WeakPolarHBondContact O-CB 3.25Å; Y392-R395 PolarHBondContact O-N 2.85Å; Y392-Y396 HydrophobicContact CD1-CE2 4.34Å; Y392-Y396 AromaticContact CD2-CE2 4Å; Y392-Y396 HydrophobicContact CD2-CE2 4Å; Y392-Y396 HydrophobicContact CE1-CD2 4.24Å; Y392-Y396 AromaticContact CE1-CE2 3.95Å; Y392-Y396 HydrophobicContact CE1-CE2 3.95Å; Y392-Y396 AromaticContact CE2-CE2 3.56Å; Y392-Y396 HydrophobicContact CE2-CE2 3.56Å; Y392-Y396 HydrophobicContact CG-CE2 4.38Å; Y392-Y396 AromaticContact CZ-CE2 3.54Å; Y392-Y396 WeakPolarHBondContact O-CD2 3.28Å |
| 393 | L | 86.2 | Confident | 78.6 | Confident | 67 Ų | 67 | 68 Ų | 68 | 35% | 0.351 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | -178.7 | -69.4 | 175.7 | 0 | 0 | 0 | 111.8 | F389 D390 R395 Y396 R397 | F389-L393 HydrophobicContact CD2-CD1 4.07Å; F389-L393 WeakPolarHBondContact O-CB 3.33Å; F389-L393 WeakPolarHBondContact O-CG 3.13Å; F389-L393 PolarHBondContact O-N 3.39Å; D390-L393 PolarHBondContact O-N 3.38Å; L393-R395 PolarHBondContact O-N 2.92Å; L393-R395 VanDerWaalsContact O-N 3.14Å; L393-Y396 PolarHBondContact O-N 2.85Å; L393-R397 PolarHBondContact O-N 2.79Å; L393-R397 VanDerWaalsContact O-N 3.1Å |
| 394 | D | 85.4 | Confident | 80.7 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.7 | -28.6 | 176.9 | -77.1 | 10.1 | 0 | 0 | 0 | 112.7 | D390 Y396 R397 R457 | D390-D394 WeakPolarHBondContact O-CB 3.37Å; D390-D394 PolarHBondContact O-N 3.02Å; D394-Y396 VanDerWaalsContact C-N 3.3Å; D394-Y396 PolarHBondContact O-N 3.15Å; D394-R397 PolarHBondContact O-N 2.55Å; D394-R397 IonicContact OD1-CZ 2.57Å; D394-R397 IonicContact OD1-NE 3.73Å; D394-R397 PolarHBondContact OD1-NE 3.1Å; D394-R397 VanDerWaalsContact OD1-NE 3.1Å; D394-R397 IonicContact OD1-NH1 2.63Å; D394-R397 IonicContact OD1-NH2 3.83Å; D394-R397 PolarHBondContact OD1-NH2 3.19Å; D394-R457 IonicContact OD1-NH1 3.17Å; D394-R457 IonicContact OD2-CZ 3.29Å; D394-R457 IonicContact OD2-NH1 2.67Å; D394-R457 PolarHBondContact OD2-NH1 3.06Å |
| 395 | R | 82.9 | Confident | 82.5 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 22% | 0.223 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.5 | -30 | 177.4 | -70.8 | 172.1 | -171 | -166.9 | 5.1 | 113.3 | L352 V391 Y392 L393 | L352-R395 HydrophobicContact CD1-CB 4.3Å; L352-R395 WeakPolarHBondContact CD1-O 3Å; L352-R395 HydrophobicContact CD2-CB 4.4Å; V391-R395 WeakPolarHBondContact O-CG 3.46Å; Y392-R395 WeakPolarHBondContact O-CB 3.25Å; Y392-R395 PolarHBondContact O-N 2.85Å; L393-R395 PolarHBondContact O-N 2.92Å; L393-R395 VanDerWaalsContact O-N 3.14Å |
| 396 | Y | 88.4 | Confident | 84.1 | Confident | 52 Ų | 52 | 70.2 Ų | 70.2 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -101.2 | -2.7 | -178.4 | -57.9 | -79.5 | 0 | 0 | 0 | 112.3 | L352 P353 Q355 Y392 L393 D394 | L352-Y396 HydrophobicContact CB-CE1 4.05Å; L352-Y396 HydrophobicContact CD1-CD1 4.35Å; L352-Y396 HydrophobicContact CD1-CE1 4.37Å; P353-Y396 VanDerWaalsContact O-CE1 3.29Å; P353-Y396 WeakPolarHBondContact O-CE1 3.49Å; P353-Y396 PolarHBondContact O-OH 3.32Å; Q355-Y396 HydrophobicContact CB-CD1 3.9Å; Q355-Y396 HydrophobicContact CB-CD2 4.43Å; Q355-Y396 HydrophobicContact CB-CE1 3.9Å; Q355-Y396 HydrophobicContact CB-CE2 4.45Å; Q355-Y396 HydrophobicContact CB-CG 4.17Å; Q355-Y396 HydrophobicContact CG-CD1 4.22Å; Q355-Y396 HydrophobicContact CG-CD2 3.9Å; Q355-Y396 HydrophobicContact CG-CE1 4.4Å; Q355-Y396 HydrophobicContact CG-CE2 4.1Å; Q355-Y396 HydrophobicContact CG-CG 3.96Å; Y392-Y396 HydrophobicContact CD1-CE2 4.34Å; Y392-Y396 AromaticContact CD2-CE2 4Å; Y392-Y396 HydrophobicContact CD2-CE2 4Å; Y392-Y396 HydrophobicContact CE1-CD2 4.24Å; Y392-Y396 AromaticContact CE1-CE2 3.95Å; Y392-Y396 HydrophobicContact CE1-CE2 3.95Å; Y392-Y396 AromaticContact CE2-CE2 3.56Å; Y392-Y396 HydrophobicContact CE2-CE2 3.56Å; Y392-Y396 HydrophobicContact CG-CE2 4.38Å; Y392-Y396 AromaticContact CZ-CE2 3.54Å; Y392-Y396 WeakPolarHBondContact O-CD2 3.28Å; L393-Y396 PolarHBondContact O-N 2.85Å; D394-Y396 VanDerWaalsContact C-N 3.3Å; D394-Y396 PolarHBondContact O-N 3.15Å |
| 397 | R | 89 | Confident | 85.5 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -76.8 | 149.8 | 173.1 | -80.9 | -170.2 | -112.9 | -171.6 | -3.9 | 110.4 | L393 D394 R399 L402 E405 | L393-R397 PolarHBondContact O-N 2.79Å; L393-R397 VanDerWaalsContact O-N 3.1Å; D394-R397 PolarHBondContact O-N 2.55Å; D394-R397 IonicContact OD1-CZ 2.57Å; D394-R397 IonicContact OD1-NE 3.73Å; D394-R397 PolarHBondContact OD1-NE 3.1Å; D394-R397 VanDerWaalsContact OD1-NE 3.1Å; D394-R397 IonicContact OD1-NH1 2.63Å; D394-R397 IonicContact OD1-NH2 3.83Å; D394-R397 PolarHBondContact OD1-NH2 3.19Å; R397-R399 PolarHBondContact O-N 3.15Å; R397-L402 HydrophobicContact CB-CD1 4.25Å; R397-L402 HydrophobicContact CB-CD2 4.45Å; R397-L402 HydrophobicContact CB-CG 4.2Å; R397-E405 IonicContact NH1-OE1 3.94Å |
| 398 | D | 90.1 | Very high | 86.6 | Confident | 111 Ų | 111 | 76.4 Ų | 76.4 | 59% | 0.594 | 35% | 0.35 | S | S | * | . | trans | -64 | 132.4 | 172.1 | -82.3 | -11.6 | 0 | 0 | 0 | 109.5 | K400 E401 L402 | D398-K400 PolarHBondContact O-N 3.33Å; D398-E401 HydrophobicContact CB-CG 4.21Å; D398-E401 PolarHBondContact O-N 3.18Å; D398-L402 PolarHBondContact O-N 2.62Å | ||
| 399 | R | 87.1 | Confident | 87.3 | Confident | 167 Ų | 167 | 77.6 Ų | 77.6 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.2 | -33.8 | 179.8 | -64.2 | -171.8 | -172.9 | 171.5 | 9.3 | 111.4 | D349 R397 L402 Y403 | D349-R399 IonicContact OD1-NH2 2.91Å; R397-R399 PolarHBondContact O-N 3.15Å; R399-L402 PolarHBondContact O-N 3.14Å; R399-Y403 HydrophobicContact CB-CD2 4.2Å; R399-Y403 HydrophobicContact CB-CE2 3.89Å; R399-Y403 WeakPolarHBondContact O-CD2 2.93Å; R399-Y403 PolarHBondContact O-N 2.78Å |
| 400 | K | 91.1 | Very high | 87.6 | Confident | 161 Ų | 161 | 75.8 Ų | 75.8 | 70% | 0.7 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.5 | -48.7 | 178.3 | -68 | -173.9 | 179.5 | -177.6 | 0 | 112.1 | D398 L402 Y403 E404 | D398-K400 PolarHBondContact O-N 3.33Å; K400-L402 VanDerWaalsContact C-N 3.32Å; K400-L402 PolarHBondContact O-N 3.3Å; K400-Y403 PolarHBondContact O-N 2.94Å; K400-Y403 VanDerWaalsContact O-N 3.16Å; K400-E404 WeakPolarHBondContact O-CG 3.23Å; K400-E404 PolarHBondContact O-N 3.31Å |
| 401 | E | 91.6 | Very high | 87.8 | Confident | 103 Ų | 103 | 80.3 Ų | 80.3 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 178.4 | -62.8 | -177 | 161.3 | 0 | 0 | 111.1 | D398 Y403 E404 E405 | D398-E401 HydrophobicContact CB-CG 4.21Å; D398-E401 PolarHBondContact O-N 3.18Å; E401-Y403 VanDerWaalsContact C-N 3.32Å; E401-Y403 PolarHBondContact O-N 2.93Å; E401-E404 PolarHBondContact O-N 2.99Å; E401-E405 PolarHBondContact O-N 2.8Å |
| 402 | L | 87.8 | Confident | 88 | Confident | 29 Ų | 29 | 81.6 Ų | 81.6 | 15% | 0.152 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.3 | -39.1 | 176.5 | -67.8 | 173.1 | 0 | 0 | 0 | 112.1 | R397 D398 R399 K400 I406 | R397-L402 HydrophobicContact CB-CD1 4.25Å; R397-L402 HydrophobicContact CB-CD2 4.45Å; R397-L402 HydrophobicContact CB-CG 4.2Å; D398-L402 PolarHBondContact O-N 2.62Å; R399-L402 PolarHBondContact O-N 3.14Å; K400-L402 VanDerWaalsContact C-N 3.32Å; K400-L402 PolarHBondContact O-N 3.3Å; L402-I406 WeakPolarHBondContact O-CD1 3.41Å; L402-I406 VanDerWaalsContact O-CG1 3.28Å; L402-I406 WeakPolarHBondContact O-CG1 3.49Å; L402-I406 PolarHBondContact O-N 3.48Å |
| 403 | Y | 89.9 | Confident | 87.9 | Confident | 117 Ų | 117 | 82.4 Ų | 82.4 | 46% | 0.459 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 176 | -73.6 | -58.2 | 0 | 0 | 0 | 112.1 | R399 K400 E401 I406 I407 | R399-Y403 HydrophobicContact CB-CD2 4.2Å; R399-Y403 HydrophobicContact CB-CE2 3.89Å; R399-Y403 WeakPolarHBondContact O-CD2 2.93Å; R399-Y403 PolarHBondContact O-N 2.78Å; K400-Y403 PolarHBondContact O-N 2.94Å; K400-Y403 VanDerWaalsContact O-N 3.16Å; E401-Y403 VanDerWaalsContact C-N 3.32Å; E401-Y403 PolarHBondContact O-N 2.93Å; Y403-I406 PolarHBondContact O-N 2.82Å; Y403-I407 VanDerWaalsContact O-CG1 3.27Å; Y403-I407 WeakPolarHBondContact O-CG1 3.4Å; Y403-I407 PolarHBondContact O-N 3.19Å |
| 404 | E | 93 | Very high | 87.6 | Confident | 114 Ų | 114 | 81.8 Ų | 81.8 | 53% | 0.533 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 175.6 | -74.4 | 174.8 | -173.9 | 0 | 0 | 111.7 | K400 E401 I406 I407 H408 | K400-E404 WeakPolarHBondContact O-CG 3.23Å; K400-E404 PolarHBondContact O-N 3.31Å; E401-E404 PolarHBondContact O-N 2.99Å; E404-I406 VanDerWaalsContact C-N 3.3Å; E404-I406 PolarHBondContact O-N 2.96Å; E404-I407 PolarHBondContact O-N 3.12Å; E404-H408 PolarHBondContact O-CD2 2.95Å; E404-H408 PolarHBondContact O-N 3.43Å |
| 405 | E | 90.6 | Very high | 87.2 | Confident | 82 Ų | 82 | 81.7 Ų | 81.7 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.8 | -45.1 | 174.2 | -73.2 | -178.4 | -174.1 | 0 | 0 | 111.6 | R397 E401 H408 E409 | R397-E405 IonicContact NH1-OE1 3.94Å; E401-E405 PolarHBondContact O-N 2.8Å; E405-H408 PolarHBondContact O-N 3.14Å; E405-E409 WeakPolarHBondContact O-CB 3.34Å; E405-E409 WeakPolarHBondContact O-CG 3.27Å; E405-E409 PolarHBondContact O-N 3.25Å |
| 406 | I | 89 | Confident | 87.1 | Confident | 12 Ų | 12 | 81.7 Ų | 81.7 | 6% | 0.062 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 179.8 | -66.8 | 163.6 | 0 | 0 | 0 | 111 | L402 Y403 E404 E409 R410 R457 E460 | L402-I406 WeakPolarHBondContact O-CD1 3.41Å; L402-I406 VanDerWaalsContact O-CG1 3.28Å; L402-I406 WeakPolarHBondContact O-CG1 3.49Å; L402-I406 PolarHBondContact O-N 3.48Å; Y403-I406 PolarHBondContact O-N 2.82Å; E404-I406 VanDerWaalsContact C-N 3.3Å; E404-I406 PolarHBondContact O-N 2.96Å; I406-E409 PolarHBondContact O-N 3.17Å; I406-R410 VanDerWaalsContact O-CB 3.29Å; I406-R410 WeakPolarHBondContact O-CB 3.28Å; I406-R410 PolarHBondContact O-N 3.42Å; I406-R457 HydrophobicContact CD1-CB 3.98Å; I406-R457 HydrophobicContact CD1-CG 4.4Å; I406-E460 HydrophobicContact CG2-CB 4.33Å |
| 407 | I | 89.4 | Confident | 86.4 | Confident | 87 Ų | 87 | 83.3 Ų | 83.3 | 45% | 0.446 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 178.1 | -70 | 165.9 | 0 | 0 | 0 | 110.4 | Y403 E404 E409 R410 L411 | Y403-I407 VanDerWaalsContact O-CG1 3.27Å; Y403-I407 WeakPolarHBondContact O-CG1 3.4Å; Y403-I407 PolarHBondContact O-N 3.19Å; E404-I407 PolarHBondContact O-N 3.12Å; I407-E409 VanDerWaalsContact C-N 3.33Å; I407-E409 PolarHBondContact O-N 3.18Å; I407-R410 WeakPolarHBondContact O-CB 3.39Å; I407-R410 PolarHBondContact O-N 2.94Å; I407-L411 HydrophobicContact CG2-CD1 4.01Å; I407-L411 HydrophobicContact CG2-CG 4.36Å; I407-L411 WeakPolarHBondContact O-CG 3.46Å; I407-L411 PolarHBondContact O-N 2.96Å |
| 408 | H | 90.4 | Very high | 86 | Confident | 132 Ų | 132 | 86.3 Ų | 86.3 | 61% | 0.611 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59 | -45.2 | 175.9 | -80.5 | -61.7 | 0 | 0 | 0 | 111.8 | E404 E405 L411 A412 | E404-H408 PolarHBondContact O-CD2 2.95Å; E404-H408 PolarHBondContact O-N 3.43Å; E405-H408 PolarHBondContact O-N 3.14Å; H408-L411 PolarHBondContact O-N 3Å; H408-A412 WeakPolarHBondContact O-CB 3.35Å; H408-A412 PolarHBondContact O-N 3.41Å |
| 409 | E | 88.4 | Confident | 85.5 | Confident | 66 Ų | 66 | 84.9 Ų | 84.9 | 31% | 0.308 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | 176.4 | -75.1 | -81.7 | -153.7 | 0 | 0 | 112.4 | E405 I406 I407 N413 R451 L461 | E405-E409 WeakPolarHBondContact O-CB 3.34Å; E405-E409 WeakPolarHBondContact O-CG 3.27Å; E405-E409 PolarHBondContact O-N 3.25Å; I406-E409 PolarHBondContact O-N 3.17Å; I407-E409 VanDerWaalsContact C-N 3.33Å; I407-E409 PolarHBondContact O-N 3.18Å; E409-N413 VanDerWaalsContact O-CB 3.26Å; E409-N413 WeakPolarHBondContact O-CB 3.45Å; E409-N413 PolarHBondContact O-N 3.35Å; E409-R451 VanDerWaalsContact CD-NH1 3.29Å; E409-R451 IonicContact OE1-CZ 3.97Å; E409-R451 IonicContact OE1-NH1 2.64Å; E409-R451 PolarHBondContact OE1-NH1 3.49Å; E409-R451 IonicContact OE1-NH2 3.28Å; E409-R451 IonicContact OE2-CZ 3.76Å; E409-R451 VanDerWaalsContact OE2-CZ 3.29Å; E409-R451 IonicContact OE2-NH1 2.9Å; E409-R451 PolarHBondContact OE2-NH1 3.47Å; E409-R451 IonicContact OE2-NH2 3.87Å; E409-R451 PolarHBondContact OE2-NH2 3.01Å; E409-L461 HydrophobicContact CB-CD1 4.12Å |
| 410 | R | 86 | Confident | 84.9 | Confident | 66 Ų | 66 | 83 Ų | 83 | 25% | 0.249 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.9 | -50.4 | 174.2 | -175.8 | -174.5 | -147.5 | 165.8 | 12.7 | 111 | I406 I407 A412 N413 E414 E460 L461 N462 G463 | I406-R410 VanDerWaalsContact O-CB 3.29Å; I406-R410 WeakPolarHBondContact O-CB 3.28Å; I406-R410 PolarHBondContact O-N 3.42Å; I407-R410 WeakPolarHBondContact O-CB 3.39Å; I407-R410 PolarHBondContact O-N 2.94Å; R410-A412 VanDerWaalsContact C-N 3.35Å; R410-A412 PolarHBondContact O-N 3.49Å; R410-N413 WeakPolarHBondContact O-CB 3.28Å; R410-N413 PolarHBondContact O-N 3.39Å; R410-N413 VanDerWaalsContact O-N 3.1Å; R410-E414 IonicContact NE-OE1 3.06Å; R410-E414 WeakPolarHBondContact O-CG 3.32Å; R410-E414 PolarHBondContact O-N 3.27Å; R410-E460 PolarHBondContact NE-O 3.1Å; R410-E460 PolarHBondContact NH2-O 2.91Å; R410-L461 WeakPolarHBondContact CG-O 3.34Å; R410-N462 PolarHBondContact NE-O 3.1Å; R410-N462 PolarHBondContact NH2-O 2.75Å; R410-G463 VanDerWaalsContact NE-N 3.17Å |
| 411 | L | 84.4 | Confident | 84.1 | Confident | 103 Ų | 103 | 84 Ų | 84 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 179 | -69.5 | 173.8 | 0 | 0 | 0 | 111.5 | I407 H408 N413 E414 G415 | I407-L411 HydrophobicContact CG2-CD1 4.01Å; I407-L411 HydrophobicContact CG2-CG 4.36Å; I407-L411 WeakPolarHBondContact O-CG 3.46Å; I407-L411 PolarHBondContact O-N 2.96Å; H408-L411 PolarHBondContact O-N 3Å; L411-N413 VanDerWaalsContact C-N 3.26Å; L411-N413 PolarHBondContact O-N 3.43Å; L411-E414 PolarHBondContact O-N 3.29Å; L411-G415 PolarHBondContact O-N 3.15Å |
| 412 | A | 84.4 | Confident | 83.1 | Confident | 71 Ų | 71 | 83.5 Ų | 83.5 | 59% | 0.587 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.6 | -34.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H408 R410 | H408-A412 WeakPolarHBondContact O-CB 3.35Å; H408-A412 PolarHBondContact O-N 3.41Å; R410-A412 VanDerWaalsContact C-N 3.35Å; R410-A412 PolarHBondContact O-N 3.49Å |
| 413 | N | 81.8 | Confident | 82 | Confident | 25 Ų | 25 | 86.1 Ų | 86.1 | 13% | 0.134 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -75.8 | -31.3 | 177.8 | -98.1 | 22.5 | 0 | 0 | 0 | 114.1 | E409 R410 L411 G415 R425 R451 L461 | E409-N413 VanDerWaalsContact O-CB 3.26Å; E409-N413 WeakPolarHBondContact O-CB 3.45Å; E409-N413 PolarHBondContact O-N 3.35Å; R410-N413 WeakPolarHBondContact O-CB 3.28Å; R410-N413 PolarHBondContact O-N 3.39Å; R410-N413 VanDerWaalsContact O-N 3.1Å; L411-N413 VanDerWaalsContact C-N 3.26Å; L411-N413 PolarHBondContact O-N 3.43Å; N413-G415 VanDerWaalsContact C-N 3.27Å; N413-R425 WeakPolarHBondContact O-CA 3.25Å; N413-R425 PolarHBondContact O-N 3.14Å; N413-R451 PolarHBondContact OD1-NH2 3.1Å; N413-L461 WeakPolarHBondContact ND2-CD2 3.45Å |
| 414 | E | 79.8 | Confident | 80.9 | Confident | 54 Ų | 54 | 88.7 Ų | 88.7 | 25% | 0.252 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.5 | -22.3 | 177.7 | -74.6 | 178.5 | 176 | 0 | 0 | 112.2 | R410 L411 R424 R425 G463 | R410-E414 IonicContact NE-OE1 3.06Å; R410-E414 WeakPolarHBondContact O-CG 3.32Å; R410-E414 PolarHBondContact O-N 3.27Å; L411-E414 PolarHBondContact O-N 3.29Å; E414-R424 WeakPolarHBondContact O-CA 3.26Å; E414-R425 HydrophobicContact CG-CG 4.41Å; E414-G463 VanDerWaalsContact OE1-CA 3.27Å; E414-G463 WeakPolarHBondContact OE1-CA 3.39Å; E414-G463 PolarHBondContact OE1-N 3.11Å |
| 415 | G | 76 | Confident | 79.8 | Confident | 23 Ų | 23 | 87.4 Ų | 87.4 | 24% | 0.237 | 45% | 0.452 | C | S | . | . | trans | 75.6 | 176.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L411 N413 P417 | L411-G415 PolarHBondContact O-N 3.15Å; N413-G415 VanDerWaalsContact C-N 3.27Å; G415-P417 VanDerWaalsContact O-CD 3.29Å; G415-P417 WeakPolarHBondContact O-CD 3.27Å | ||
| 416 | N | 80.1 | Confident | 78.7 | Confident | 60 Ų | 60 | 90.3 Ų | 90.3 | 32% | 0.321 | 46% | 0.464 | S | S | . | . | trans | -69.5 | 117.5 | 176.7 | -175.4 | 2.3 | 0 | 0 | 0 | 109.8 | L418 D419 E422 | N416-L418 PolarHBondContact O-N 2.91Å; N416-L418 VanDerWaalsContact O-N 3.1Å; N416-L418 WeakPolarHBondContact OD1-CB 3.18Å; N416-L418 PolarHBondContact OD1-N 3.03Å; N416-L418 VanDerWaalsContact OD1-N 3.13Å; N416-D419 HydrophobicContact CB-CB 4.24Å; N416-D419 VanDerWaalsContact ND2-CG 3.33Å; N416-D419 PolarHBondContact ND2-OD2 3.28Å; N416-D419 PolarHBondContact O-N 3.16Å; N416-E422 PolarHBondContact N-OE2 2.88Å | ||
| 417 | P | 75.6 | Confident | 78.1 | Confident | 86 Ų | 86 | 94.4 Ų | 94.4 | 56% | 0.558 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -17.5 | -179.3 | 27 | -35.8 | 0 | 0 | 0 | 113.5 | G415 R424 | G415-P417 VanDerWaalsContact O-CD 3.29Å; G415-P417 WeakPolarHBondContact O-CD 3.27Å; P417-R424 PolarHBondContact O-NH2 3.42Å; P417-R424 VanDerWaalsContact O-NH2 3.11Å |
| 418 | L | 80.4 | Confident | 77.6 | Confident | 144 Ų | 144 | 96 Ų | 96 | 75% | 0.754 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -21.2 | -178.8 | -59.4 | 176.4 | 0 | 0 | 0 | 113.5 | N416 P420 | N416-L418 PolarHBondContact O-N 2.91Å; N416-L418 VanDerWaalsContact O-N 3.1Å; N416-L418 WeakPolarHBondContact OD1-CB 3.18Å; N416-L418 PolarHBondContact OD1-N 3.03Å; N416-L418 VanDerWaalsContact OD1-N 3.13Å; L418-P420 WeakPolarHBondContact O-CD 3.48Å |
| 419 | D | 78.8 | Confident | 77.2 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 43% | 0.428 | 50% | 0.495 | S | S | . | . | trans | -98.3 | 106.8 | -178.9 | -67.3 | -31.1 | 0 | 0 | 0 | 109.2 | N416 E421 E422 | N416-D419 HydrophobicContact CB-CB 4.24Å; N416-D419 VanDerWaalsContact ND2-CG 3.33Å; N416-D419 PolarHBondContact ND2-OD2 3.28Å; N416-D419 PolarHBondContact O-N 3.16Å; D419-E421 PolarHBondContact O-N 3.42Å; D419-E422 HydrophobicContact CB-CG 4.44Å; D419-E422 PolarHBondContact O-N 3.23Å | ||
| 420 | P | 74.7 | Confident | 77.1 | Confident | 127 Ų | 127 | 102.7 Ų | 102.7 | 83% | 0.825 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.6 | -177.1 | 28.4 | -35.3 | 0 | 0 | 0 | 113.1 | L418 | L418-P420 WeakPolarHBondContact O-CD 3.48Š|
| 421 | E | 74.8 | Confident | 77.1 | Confident | 184 Ų | 184 | 101 Ų | 101 | 86% | 0.86 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -19.8 | 179.5 | -60.2 | -170.7 | 165.9 | 0 | 0 | 112.8 | D419 P423 | D419-E421 PolarHBondContact O-N 3.42Å; E421-P423 WeakPolarHBondContact O-CD 3.45Å |
| 422 | E | 69.4 | Low | 77.2 | Confident | 91 Ų | 91 | 99.5 Ų | 99.5 | 43% | 0.425 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -82.3 | 120.1 | 174.2 | -73.1 | -158.6 | 148.6 | 0 | 0 | 110.4 | N416 D419 R424 | N416-E422 PolarHBondContact N-OE2 2.88Å; D419-E422 HydrophobicContact CB-CG 4.44Å; D419-E422 PolarHBondContact O-N 3.23Å; E422-R424 PolarHBondContact O-N 3.22Å; E422-R424 VanDerWaalsContact O-N 3.1Å |
| 423 | P | 64.9 | Low | 77.4 | Confident | 84 Ų | 84 | 99.9 Ų | 99.9 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | trans | -66.3 | 118.5 | 180 | 25.8 | -32.8 | 0 | 0 | 0 | 109.7 | E421 R425 | E421-P423 WeakPolarHBondContact O-CD 3.45Å; P423-R425 PolarHBondContact O-N 3.4Å; P423-R425 VanDerWaalsContact O-N 3.1Å | ||
| 424 | R | 66.2 | Low | 77.7 | Confident | 172 Ų | 172 | 100.6 Ų | 100.6 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -59.9 | 116 | 169.7 | -66.4 | -175.5 | -178.6 | -168.8 | -0.5 | 108.2 | E414 P417 E422 | E414-R424 WeakPolarHBondContact O-CA 3.26Å; P417-R424 PolarHBondContact O-NH2 3.42Å; P417-R424 VanDerWaalsContact O-NH2 3.11Å; E422-R424 PolarHBondContact O-N 3.22Å; E422-R424 VanDerWaalsContact O-N 3.1Å |
| 425 | R | 69.9 | Low | 78.3 | Confident | 86 Ų | 86 | 103.4 Ų | 103.4 | 33% | 0.325 | 54% | 0.543 | S | S | . | . | trans | 72.1 | 93.4 | 173.6 | -49.7 | 162.5 | 175.7 | -170.8 | -7.6 | 113.7 | N413 E414 P423 I427 D465 | N413-R425 WeakPolarHBondContact O-CA 3.25Å; N413-R425 PolarHBondContact O-N 3.14Å; E414-R425 HydrophobicContact CG-CG 4.41Å; P423-R425 PolarHBondContact O-N 3.4Å; P423-R425 VanDerWaalsContact O-N 3.1Å; R425-I427 HydrophobicContact CB-CD1 4.31Å; R425-I427 HydrophobicContact CB-CG1 4.28Å; R425-I427 PolarHBondContact O-N 3.23Å; R425-D465 IonicContact CZ-OD1 3.22Å; R425-D465 VanDerWaalsContact CZ-OD1 3.28Å; R425-D465 IonicContact NH1-OD1 3.47Å; R425-D465 PolarHBondContact NH1-OD1 3.45Å; R425-D465 IonicContact NH2-OD1 2.73Å; R425-D465 PolarHBondContact NH2-OD1 2.71Å | ||
| 426 | K | 68.9 | Low | 78.9 | Confident | 144 Ų | 144 | 104.5 Ų | 104.5 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | trans | -71.5 | 87.9 | 168.9 | -63.7 | 174 | -173.8 | 167.8 | 0 | 110.2 | ||||
| 427 | I | 76.6 | Confident | 79.4 | Confident | 97 Ų | 97 | 105.2 Ų | 105.2 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | trans | -105.1 | 127.6 | 174.3 | -57.4 | 174 | 0 | 0 | 0 | 108.5 | R425 E429 | R425-I427 HydrophobicContact CB-CD1 4.31Å; R425-I427 HydrophobicContact CB-CG1 4.28Å; R425-I427 PolarHBondContact O-N 3.23Å; I427-E429 PolarHBondContact O-N 3.38Å | ||
| 428 | Y | 77.8 | Confident | 80 | Confident | 122 Ų | 122 | 107.7 Ų | 107.7 | 48% | 0.478 | 57% | 0.567 | S | S | . | * | trans | -73.2 | 124.9 | 169.2 | -63.7 | -67.2 | 0 | 0 | 0 | 109.2 | Y430 P431 V434 R452 | Y428-Y430 PolarHBondContact O-N 3.07Å; Y428-P431 WeakPolarHBondContact O-CD 3.26Å; Y428-V434 HydrophobicContact CD1-CG2 3.57Å; Y428-V434 HydrophobicContact CD2-CG2 4.42Å; Y428-V434 HydrophobicContact CE1-CG1 4.2Å; Y428-V434 HydrophobicContact CE1-CG2 4Å; Y428-V434 HydrophobicContact CG-CG2 3.8Å; Y428-R452 HydrophobicContact CD2-CG 4.17Å; Y428-R452 HydrophobicContact CE2-CG 4.33Å | ||
| 429 | E | 81.4 | Confident | 80.6 | Confident | 169 Ų | 169 | 110.6 Ų | 110.6 | 79% | 0.79 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -55.8 | -40.6 | 173.6 | -66.3 | -179.3 | 172.7 | 0 | 0 | 111.6 | I427 P431 | I427-E429 PolarHBondContact O-N 3.38Å; E429-P431 WeakPolarHBondContact O-CD 3.47Å |
| 430 | Y | 87.8 | Confident | 81.1 | Confident | 168 Ų | 168 | 108.3 Ų | 108.3 | 66% | 0.659 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -123.4 | 79.1 | 179.2 | -57.5 | -75.5 | 0 | 0 | 0 | 110.7 | Y428 A432 A433 | Y428-Y430 PolarHBondContact O-N 3.07Å; Y430-A432 PolarHBondContact O-N 3.34Å; Y430-A432 VanDerWaalsContact O-N 3.15Å; Y430-A433 PolarHBondContact O-N 3.13Å |
| 431 | P | 85.8 | Confident | 81.8 | Confident | 30 Ų | 30 | 105.5 Ų | 105.5 | 20% | 0.195 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -31.7 | -169.8 | 19.9 | -31 | 0 | 0 | 0 | 114.1 | Y428 E429 R452 L453 | Y428-P431 WeakPolarHBondContact O-CD 3.26Å; E429-P431 WeakPolarHBondContact O-CD 3.47Å; P431-R452 HydrophobicContact CB-CB 3.7Å; P431-L453 HydrophobicContact CB-CD2 4.38Å; P431-L453 HydrophobicContact CG-CD2 3.88Å |
| 432 | A | 86.7 | Confident | 82.1 | Confident | 72 Ų | 72 | 101.7 Ų | 101.7 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -17.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y430 | Y430-A432 PolarHBondContact O-N 3.34Å; Y430-A432 VanDerWaalsContact O-N 3.15Å |
| 433 | A | 88.9 | Confident | 82.6 | Confident | 79 Ų | 79 | 100.7 Ų | 100.7 | 65% | 0.653 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -20.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y430 P435 | Y430-A433 PolarHBondContact O-N 3.13Å; A433-P435 WeakPolarHBondContact O-CD 3.47Å |
| 434 | V | 88.3 | Confident | 83.7 | Confident | 40 Ų | 40 | 103 Ų | 103 | 24% | 0.242 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -69.9 | 119.9 | 179.7 | 179 | 0 | 0 | 0 | 0 | 109.6 | Y428 I436 R452 | Y428-V434 HydrophobicContact CD1-CG2 3.57Å; Y428-V434 HydrophobicContact CD2-CG2 4.42Å; Y428-V434 HydrophobicContact CE1-CG1 4.2Å; Y428-V434 HydrophobicContact CE1-CG2 4Å; Y428-V434 HydrophobicContact CG-CG2 3.8Å; V434-I436 PolarHBondContact O-N 2.86Å; V434-R452 PolarHBondContact O-NH1 2.91Å |
| 435 | P | 90.7 | Very high | 84.7 | Confident | 113 Ų | 113 | 97 Ų | 97 | 73% | 0.734 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 140.4 | -176.8 | 25.2 | -33.5 | 0 | 0 | 0 | 111.2 | A433 | A433-P435 WeakPolarHBondContact O-CD 3.47Š|
| 436 | I | 89.3 | Confident | 85.4 | Confident | 47 Ų | 47 | 98 Ų | 98 | 24% | 0.241 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 136.8 | 176.8 | -59.9 | 179.1 | 0 | 0 | 0 | 108.2 | V434 M440 V445 M449 | V434-I436 PolarHBondContact O-N 2.86Å; I436-M440 HydrophobicContact CG2-CB 4.23Å; I436-M440 HydrophobicContact CG2-CE 4.09Å; I436-M440 HydrophobicContact CG2-CG 4.31Å; I436-M440 HydrophobicContact CG2-SD 3.48Å; I436-M440 WeakPolarHBondContact CG2-SD 3.33Å; I436-V445 HydrophobicContact CD1-CG1 3.74Å; I436-V445 HydrophobicContact CG2-CB 4.49Å; I436-V445 HydrophobicContact CG2-CG1 4.33Å; I436-V445 HydrophobicContact CG2-CG2 3.84Å; I436-M449 HydrophobicContact CD1-CE 3.93Å |
| 437 | P | 90.6 | Very high | 86.2 | Confident | 75 Ų | 75 | 92 Ų | 92 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -54 | 134.4 | -178.9 | -26.2 | 33.2 | 0 | 0 | 0 | 112.2 | K439 M440 | P437-K439 PolarHBondContact O-N 2.75Å; P437-K439 VanDerWaalsContact O-N 3.13Å; P437-M440 HydrophobicContact CB-CB 4.48Å; P437-M440 HydrophobicContact CG-SD 4.37Å; P437-M440 WeakPolarHBondContact O-CB 3.44Å; P437-M440 PolarHBondContact O-N 3.03Å; P437-M440 VanDerWaalsContact O-N 3.14Å |
| 438 | P | 87.5 | Confident | 86.7 | Confident | 138 Ų | 138 | 89.2 Ų | 89.2 | 90% | 0.896 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.8 | -172.7 | 25.7 | -34.8 | 0 | 0 | 0 | 113.8 | M440 | P438-M440 VanDerWaalsContact C-N 3.34Š|
| 439 | K | 92.8 | Very high | 87.2 | Confident | 205 Ų | 205 | 86 Ų | 86 | 89% | 0.891 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 2.6 | 179.2 | -65.3 | -175.2 | 179.1 | 179.8 | 0 | 113.8 | P437 | P437-K439 PolarHBondContact O-N 2.75Å; P437-K439 VanDerWaalsContact O-N 3.13Å |
| 440 | M | 90.3 | Very high | 87.4 | Confident | 32 Ų | 32 | 80.5 Ų | 80.5 | 16% | 0.158 | 44% | 0.438 | C | S | . | . | trans | -79.2 | 129.2 | -171.8 | -167.2 | 155.6 | 155.5 | 0 | 0 | 111.8 | I436 P437 P438 W444 V445 E448 | I436-M440 HydrophobicContact CG2-CB 4.23Å; I436-M440 HydrophobicContact CG2-CE 4.09Å; I436-M440 HydrophobicContact CG2-CG 4.31Å; I436-M440 HydrophobicContact CG2-SD 3.48Å; I436-M440 WeakPolarHBondContact CG2-SD 3.33Å; P437-M440 HydrophobicContact CB-CB 4.48Å; P437-M440 HydrophobicContact CG-SD 4.37Å; P437-M440 WeakPolarHBondContact O-CB 3.44Å; P437-M440 PolarHBondContact O-N 3.03Å; P437-M440 VanDerWaalsContact O-N 3.14Å; P438-M440 VanDerWaalsContact C-N 3.34Å; M440-W444 VanDerWaalsContact CE-C 3.41Å; M440-W444 HydrophobicContact CE-CB 4.09Å; M440-W444 HydrophobicContact CE-CG 3.71Å; M440-W444 VanDerWaalsContact CE-O 3.23Å; M440-W444 WeakPolarHBondContact CE-O 3.29Å; M440-W444 HydrophobicContact CG-CB 4Å; M440-W444 HydrophobicContact CG-CG 4.16Å; M440-W444 VanDerWaalsContact SD-CD1 3.55Å; M440-V445 HydrophobicContact CB-CG2 3.81Å; M440-V445 HydrophobicContact CE-CG2 4.46Å; M440-V445 HydrophobicContact CG-CG2 3.67Å; M440-V445 HydrophobicContact SD-CG2 4.36Å; M440-E448 HydrophobicContact CE-CB 3.22Å; M440-E448 HydrophobicContact CE-CG 3.63Å | ||
| 441 | P | 88.4 | Confident | 87.4 | Confident | 68 Ų | 68 | 74.7 Ų | 74.7 | 44% | 0.442 | 42% | 0.415 | S | S | . | . | trans | -61.1 | 144.9 | 176.4 | -23.4 | 33.4 | 0 | 0 | 0 | 112.2 | W443 W444 V445 | P441-W443 VanDerWaalsContact C-N 3.26Å; P441-W443 PolarHBondContact O-N 2.85Å; P441-W443 VanDerWaalsContact O-N 3.12Å; P441-W444 PolarHBondContact O-N 3.32Å; P441-V445 WeakPolarHBondContact O-CG2 3.42Å; P441-V445 PolarHBondContact O-N 2.88Å | ||
| 442 | S | 82.3 | Confident | 87.5 | Confident | 104 Ų | 104 | 74.5 Ų | 74.5 | 73% | 0.727 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.9 | -34.1 | -174.5 | 58.6 | 0 | 0 | 0 | 0 | 114.8 | V445 K446 | S442-V445 WeakPolarHBondContact O-CB 3.36Å; S442-K446 PolarHBondContact O-N 3.5Å; S442-K446 VanDerWaalsContact O-N 3.15Å |
| 443 | W | 80.2 | Confident | 87.6 | Confident | 70 Ų | 70 | 74.2 Ų | 74.2 | 27% | 0.265 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 176.3 | 73.3 | -87.5 | 0 | 0 | 0 | 111.7 | F389 D390 P441 V445 K446 Q447 | F389-W443 HydrophobicContact CE1-CB 4.5Å; F389-W443 AromaticContact CE1-CD1 3.62Å; F389-W443 AromaticContact CE1-CD2 3.62Å; F389-W443 HydrophobicContact CE1-CD2 3.62Å; F389-W443 AromaticContact CE1-CE2 3.57Å; F389-W443 HydrophobicContact CE1-CE3 4.28Å; F389-W443 AromaticContact CE1-CG 3.68Å; F389-W443 HydrophobicContact CE1-CG 3.68Å; F389-W443 HydrophobicContact CE1-CZ2 4.16Å; F389-W443 AromaticContact CE1-NE1 3.55Å; F389-W443 HydrophobicContact CE2-CH2 4.43Å; F389-W443 HydrophobicContact CE2-CZ2 4.48Å; F389-W443 AromaticContact CZ-CD2 3.7Å; F389-W443 HydrophobicContact CZ-CD2 3.7Å; F389-W443 AromaticContact CZ-CE2 3.39Å; F389-W443 HydrophobicContact CZ-CE3 4.08Å; F389-W443 HydrophobicContact CZ-CG 4.27Å; F389-W443 AromaticContact CZ-CH2 3.79Å; F389-W443 HydrophobicContact CZ-CH2 3.79Å; F389-W443 AromaticContact CZ-CZ2 3.49Å; F389-W443 HydrophobicContact CZ-CZ2 3.49Å; F389-W443 VanDerWaalsContact CZ-CZ2 3.49Å; F389-W443 HydrophobicContact CZ-CZ3 4.09Å; F389-W443 AromaticContact CZ-NE1 3.78Å; D390-W443 HydrophobicContact CB-CE3 3.77Å; D390-W443 HydrophobicContact CB-CZ3 3.81Å; P441-W443 VanDerWaalsContact C-N 3.26Å; P441-W443 PolarHBondContact O-N 2.85Å; P441-W443 VanDerWaalsContact O-N 3.12Å; W443-V445 VanDerWaalsContact C-N 3.32Å; W443-V445 PolarHBondContact O-N 3.21Å; W443-K446 WeakPolarHBondContact O-CB 3.44Å; W443-K446 PolarHBondContact O-N 3.36Å; W443-K446 VanDerWaalsContact O-N 3.14Å; W443-Q447 HydrophobicContact CE3-CG 4.31Å; W443-Q447 PolarHBondContact O-N 3.15Å |
| 444 | W | 86.9 | Confident | 87.4 | Confident | 133 Ų | 133 | 72.8 Ų | 72.8 | 50% | 0.504 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 176.1 | -163.2 | -112.3 | 0 | 0 | 0 | 109.7 | M440 P441 K446 Q447 E448 | M440-W444 VanDerWaalsContact CE-C 3.41Å; M440-W444 HydrophobicContact CE-CB 4.09Å; M440-W444 HydrophobicContact CE-CG 3.71Å; M440-W444 VanDerWaalsContact CE-O 3.23Å; M440-W444 WeakPolarHBondContact CE-O 3.29Å; M440-W444 HydrophobicContact CG-CB 4Å; M440-W444 HydrophobicContact CG-CG 4.16Å; M440-W444 VanDerWaalsContact SD-CD1 3.55Å; P441-W444 PolarHBondContact O-N 3.32Å; W444-K446 PolarHBondContact O-N 2.67Å; W444-Q447 PolarHBondContact O-N 3.01Å; W444-E448 VanDerWaalsContact O-CB 3.28Å; W444-E448 WeakPolarHBondContact O-CB 3.35Å; W444-E448 PolarHBondContact O-N 3.13Å |
| 445 | V | 88.1 | Confident | 87.1 | Confident | 45 Ų | 45 | 78.5 Ų | 78.5 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -54.1 | -43.9 | 173.2 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | I436 M440 P441 S442 W443 M449 | I436-V445 HydrophobicContact CD1-CG1 3.74Å; I436-V445 HydrophobicContact CG2-CB 4.49Å; I436-V445 HydrophobicContact CG2-CG1 4.33Å; I436-V445 HydrophobicContact CG2-CG2 3.84Å; M440-V445 HydrophobicContact CB-CG2 3.81Å; M440-V445 HydrophobicContact CE-CG2 4.46Å; M440-V445 HydrophobicContact CG-CG2 3.67Å; M440-V445 HydrophobicContact SD-CG2 4.36Å; P441-V445 WeakPolarHBondContact O-CG2 3.42Å; P441-V445 PolarHBondContact O-N 2.88Å; S442-V445 WeakPolarHBondContact O-CB 3.36Å; W443-V445 VanDerWaalsContact C-N 3.32Å; W443-V445 PolarHBondContact O-N 3.21Å; V445-M449 WeakPolarHBondContact O-CB 3.43Å; V445-M449 PolarHBondContact O-N 3.43Å |
| 446 | K | 84 | Confident | 86.7 | Confident | 108 Ų | 108 | 75.7 Ų | 75.7 | 47% | 0.47 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 178 | -169.3 | -179 | 179.1 | -173 | 0 | 112 | S442 W443 W444 M449 Q450 | S442-K446 PolarHBondContact O-N 3.5Å; S442-K446 VanDerWaalsContact O-N 3.15Å; W443-K446 WeakPolarHBondContact O-CB 3.44Å; W443-K446 PolarHBondContact O-N 3.36Å; W443-K446 VanDerWaalsContact O-N 3.14Å; W444-K446 PolarHBondContact O-N 2.67Å; K446-M449 PolarHBondContact O-N 3.17Å; K446-Q450 WeakPolarHBondContact O-CG 3.27Å; K446-Q450 PolarHBondContact O-N 2.9Å |
| 447 | Q | 85 | Confident | 86.3 | Confident | 17 Ų | 17 | 77 Ų | 77 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61 | -47.9 | 176.9 | -80.6 | -68.7 | -8.5 | 0 | 0 | 111.9 | D390 W443 W444 M449 Q450 R451 | D390-Q447 VanDerWaalsContact OD2-CG 3.28Å; D390-Q447 WeakPolarHBondContact OD2-CG 3.21Å; D390-Q447 PolarHBondContact OD2-NE2 3.14Å; W443-Q447 HydrophobicContact CE3-CG 4.31Å; W443-Q447 PolarHBondContact O-N 3.15Å; W444-Q447 PolarHBondContact O-N 3.01Å; Q447-M449 VanDerWaalsContact C-N 3.33Å; Q447-M449 PolarHBondContact O-N 3.44Å; Q447-Q450 CarbonylContact O-C 3.38Å; Q447-Q450 PolarHBondContact O-N 2.89Å; Q447-Q450 VanDerWaalsContact O-N 3.14Å; Q447-R451 WeakPolarHBondContact O-CB 2.98Å; Q447-R451 PolarHBondContact O-N 2.83Å |
| 448 | E | 88 | Confident | 86 | Confident | 38 Ų | 38 | 74.3 Ų | 74.3 | 18% | 0.178 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 178.1 | -178.5 | 58.8 | -155.6 | 0 | 0 | 111.5 | M440 W444 Q450 R451 R452 | M440-E448 HydrophobicContact CE-CB 3.22Å; M440-E448 HydrophobicContact CE-CG 3.63Å; W444-E448 VanDerWaalsContact O-CB 3.28Å; W444-E448 WeakPolarHBondContact O-CB 3.35Å; W444-E448 PolarHBondContact O-N 3.13Å; E448-Q450 PolarHBondContact O-N 3.44Å; E448-R451 WeakPolarHBondContact O-CB 3.49Å; E448-R451 PolarHBondContact O-N 3.47Å; E448-R452 WeakPolarHBondContact O-CB 3.5Å; E448-R452 VanDerWaalsContact O-CG 3.26Å; E448-R452 WeakPolarHBondContact O-CG 3.37Å; E448-R452 PolarHBondContact O-N 3.2Å; E448-R452 IonicContact OE1-CZ 2.77Å; E448-R452 IonicContact OE1-NE 3.43Å; E448-R452 PolarHBondContact OE1-NE 2.97Å; E448-R452 IonicContact OE1-NH2 3.25Å |
| 449 | M | 87.6 | Confident | 85.8 | Confident | 54 Ų | 54 | 77 Ų | 77 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 173.9 | -173.7 | 61.7 | 75.1 | 0 | 0 | 111.6 | I436 V445 K446 Q447 R451 R452 L453 | I436-M449 HydrophobicContact CD1-CE 3.93Å; V445-M449 WeakPolarHBondContact O-CB 3.43Å; V445-M449 PolarHBondContact O-N 3.43Å; K446-M449 PolarHBondContact O-N 3.17Å; Q447-M449 VanDerWaalsContact C-N 3.33Å; Q447-M449 PolarHBondContact O-N 3.44Å; M449-R451 VanDerWaalsContact C-N 3.34Å; M449-R452 PolarHBondContact O-N 3.02Å; M449-L453 HydrophobicContact CG-CD1 3.86Å; M449-L453 HydrophobicContact CG-CG 4.46Å; M449-L453 VanDerWaalsContact O-CB 3.32Å; M449-L453 WeakPolarHBondContact O-CB 3.26Å; M449-L453 VanDerWaalsContact O-CG 3.27Å; M449-L453 WeakPolarHBondContact O-CG 3.47Å; M449-L453 PolarHBondContact O-N 2.95Å; M449-L453 HydrophobicContact SD-CD1 4Å; M449-L453 HydrophobicContact SD-CG 4.2Å |
| 450 | Q | 86.8 | Confident | 85.3 | Confident | 54 Ų | 54 | 72 Ų | 72 | 25% | 0.252 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 175.3 | -72.8 | -174.3 | -6.8 | 0 | 0 | 112.2 | K446 Q447 E448 L453 R454 R455 | K446-Q450 WeakPolarHBondContact O-CG 3.27Å; K446-Q450 PolarHBondContact O-N 2.9Å; Q447-Q450 CarbonylContact O-C 3.38Å; Q447-Q450 PolarHBondContact O-N 2.89Å; Q447-Q450 VanDerWaalsContact O-N 3.14Å; E448-Q450 PolarHBondContact O-N 3.44Å; Q450-L453 CarbonylContact O-C 3.54Å; Q450-L453 PolarHBondContact O-N 2.92Å; Q450-R454 PolarHBondContact O-N 2.96Å; Q450-R455 PolarHBondContact O-N 3.48Å |
| 451 | R | 87.8 | Confident | 84.9 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 18% | 0.177 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -52.8 | 173.9 | -178 | -176.7 | 172.2 | 151.8 | 4.2 | 110.6 | E409 N413 Q447 E448 M449 L453 R454 W458 L461 | E409-R451 VanDerWaalsContact CD-NH1 3.29Å; E409-R451 IonicContact OE1-CZ 3.97Å; E409-R451 IonicContact OE1-NH1 2.64Å; E409-R451 PolarHBondContact OE1-NH1 3.49Å; E409-R451 IonicContact OE1-NH2 3.28Å; E409-R451 IonicContact OE2-CZ 3.76Å; E409-R451 VanDerWaalsContact OE2-CZ 3.29Å; E409-R451 IonicContact OE2-NH1 2.9Å; E409-R451 PolarHBondContact OE2-NH1 3.47Å; E409-R451 IonicContact OE2-NH2 3.87Å; E409-R451 PolarHBondContact OE2-NH2 3.01Å; N413-R451 PolarHBondContact OD1-NH2 3.1Å; Q447-R451 WeakPolarHBondContact O-CB 2.98Å; Q447-R451 PolarHBondContact O-N 2.83Å; E448-R451 WeakPolarHBondContact O-CB 3.49Å; E448-R451 PolarHBondContact O-N 3.47Å; M449-R451 VanDerWaalsContact C-N 3.34Å; R451-L453 VanDerWaalsContact C-N 3.31Å; R451-L453 PolarHBondContact O-N 2.64Å; R451-R454 PolarHBondContact O-N 3.16Å; R451-R454 VanDerWaalsContact O-N 3.15Å; R451-R454 PolarHBondContact O-NH1 2.92Å; R451-W458 HydrophobicContact CB-CD2 3.91Å; R451-W458 HydrophobicContact CB-CG 3.94Å; R451-W458 HydrophobicContact CB-CZ2 4.43Å; R451-W458 HydrophobicContact CG-CD2 4.08Å; R451-W458 HydrophobicContact CG-CE3 4.22Å; R451-W458 HydrophobicContact CG-CG 4.4Å; R451-L461 HydrophobicContact CG-CD1 4.47Å |
| 452 | R | 88.1 | Confident | 84.2 | Confident | 26 Ų | 26 | 69.3 Ų | 69.3 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 178.7 | -68.3 | 176.5 | -172.5 | -172.7 | -0.5 | 112.7 | Y428 P431 V434 E448 M449 R454 | Y428-R452 HydrophobicContact CD2-CG 4.17Å; Y428-R452 HydrophobicContact CE2-CG 4.33Å; P431-R452 HydrophobicContact CB-CB 3.7Å; V434-R452 PolarHBondContact O-NH1 2.91Å; E448-R452 WeakPolarHBondContact O-CB 3.5Å; E448-R452 VanDerWaalsContact O-CG 3.26Å; E448-R452 WeakPolarHBondContact O-CG 3.37Å; E448-R452 PolarHBondContact O-N 3.2Å; E448-R452 IonicContact OE1-CZ 2.77Å; E448-R452 IonicContact OE1-NE 3.43Å; E448-R452 PolarHBondContact OE1-NE 2.97Å; E448-R452 IonicContact OE1-NH2 3.25Å; M449-R452 PolarHBondContact O-N 3.02Å; R452-R454 VanDerWaalsContact C-N 3.33Å |
| 453 | L | 87.3 | Confident | 83.4 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.7 | 178.1 | -67.6 | 174.1 | 0 | 0 | 0 | 114.5 | P431 M449 Q450 R451 R455 | P431-L453 HydrophobicContact CB-CD2 4.38Å; P431-L453 HydrophobicContact CG-CD2 3.88Å; M449-L453 HydrophobicContact CG-CD1 3.86Å; M449-L453 HydrophobicContact CG-CG 4.46Å; M449-L453 VanDerWaalsContact O-CB 3.32Å; M449-L453 WeakPolarHBondContact O-CB 3.26Å; M449-L453 VanDerWaalsContact O-CG 3.27Å; M449-L453 WeakPolarHBondContact O-CG 3.47Å; M449-L453 PolarHBondContact O-N 2.95Å; M449-L453 HydrophobicContact SD-CD1 4Å; M449-L453 HydrophobicContact SD-CG 4.2Å; Q450-L453 CarbonylContact O-C 3.54Å; Q450-L453 PolarHBondContact O-N 2.92Å; R451-L453 VanDerWaalsContact C-N 3.31Å; R451-L453 PolarHBondContact O-N 2.64Å; L453-R455 VanDerWaalsContact C-N 3.26Å; L453-R455 HydrophobicContact CB-CG 3.98Å; L453-R455 PolarHBondContact O-N 3.06Å |
| 454 | R | 85.2 | Confident | 82.5 | Confident | 50 Ų | 50 | 70.3 Ų | 70.3 | 19% | 0.189 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 42.6 | -176.4 | -58 | -63 | -171.2 | -102.1 | 1.6 | 113.1 | Q450 R451 R452 W458 L461 N462 | Q450-R454 PolarHBondContact O-N 2.96Å; R451-R454 PolarHBondContact O-N 3.16Å; R451-R454 VanDerWaalsContact O-N 3.15Å; R451-R454 PolarHBondContact O-NH1 2.92Å; R452-R454 VanDerWaalsContact C-N 3.33Å; R454-W458 VanDerWaalsContact CD-O 3.25Å; R454-W458 WeakPolarHBondContact CD-O 3.29Å; R454-L461 VanDerWaalsContact CZ-CD2 3.4Å; R454-N462 PolarHBondContact NE-OD1 3.2Å; R454-N462 PolarHBondContact NH2-OD1 3.13Å |
| 455 | R | 83.2 | Confident | 80.9 | Confident | 159 Ų | 159 | 69.4 Ų | 69.4 | 60% | 0.6 | 33% | 0.327 | S | S | * | . | trans | -101.8 | 149.7 | 179.5 | -69.9 | -174.5 | 178.1 | -167.8 | 0.3 | 111.8 | Q450 L453 R457 W458 | Q450-R455 PolarHBondContact O-N 3.48Å; L453-R455 VanDerWaalsContact C-N 3.26Å; L453-R455 HydrophobicContact CB-CG 3.98Å; L453-R455 PolarHBondContact O-N 3.06Å; R455-R457 PolarHBondContact O-N 3.48Å; R455-W458 PolarHBondContact O-N 2.95Å | ||
| 456 | G | 80.5 | Confident | 78.9 | Confident | 55 Ų | 55 | 74.4 Ų | 74.4 | 57% | 0.567 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | 62.9 | -131.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W458 R459 | G456-W458 PolarHBondContact O-N 3.47Å; G456-R459 WeakPolarHBondContact O-CB 3.47Å; G456-R459 PolarHBondContact O-N 3.32Å |
| 457 | R | 80.6 | Confident | 78.6 | Confident | 75 Ų | 75 | 72.7 Ų | 72.7 | 28% | 0.283 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -58.9 | -26.7 | 179.6 | 77 | -175.7 | -170.5 | 164.6 | 23 | 113.7 | D394 I406 R455 R459 | D394-R457 IonicContact OD1-NH1 3.17Å; D394-R457 IonicContact OD2-CZ 3.29Å; D394-R457 IonicContact OD2-NH1 2.67Å; D394-R457 PolarHBondContact OD2-NH1 3.06Å; I406-R457 HydrophobicContact CD1-CB 3.98Å; I406-R457 HydrophobicContact CD1-CG 4.4Å; R455-R457 PolarHBondContact O-N 3.48Å; R457-R459 PolarHBondContact O-N 3.37Å |
| 458 | W | 84.8 | Confident | 78.3 | Confident | 17 Ų | 17 | 75.6 Ų | 75.6 | 6% | 0.064 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -80.4 | 4.4 | -178.4 | -52.1 | 112.1 | 0 | 0 | 0 | 114.2 | R451 R454 R455 G456 E460 L461 | R451-W458 HydrophobicContact CB-CD2 3.91Å; R451-W458 HydrophobicContact CB-CG 3.94Å; R451-W458 HydrophobicContact CB-CZ2 4.43Å; R451-W458 HydrophobicContact CG-CD2 4.08Å; R451-W458 HydrophobicContact CG-CE3 4.22Å; R451-W458 HydrophobicContact CG-CG 4.4Å; R454-W458 VanDerWaalsContact CD-O 3.25Å; R454-W458 WeakPolarHBondContact CD-O 3.29Å; R455-W458 PolarHBondContact O-N 2.95Å; G456-W458 PolarHBondContact O-N 3.47Å; W458-E460 VanDerWaalsContact C-N 3.27Å; W458-E460 PolarHBondContact O-N 3.33Å; W458-L461 HydrophobicContact CD2-CD1 4.35Å; W458-L461 HydrophobicContact CE3-CD1 3.29Å; W458-L461 HydrophobicContact CZ3-CD1 3.71Å; W458-L461 VanDerWaalsContact O-CB 3.26Å; W458-L461 WeakPolarHBondContact O-CB 3.45Å; W458-L461 PolarHBondContact O-N 3.31Å |
| 459 | R | 84 | Confident | 77.8 | Confident | 196 Ų | 196 | 77.7 Ų | 77.7 | 74% | 0.74 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -65.2 | -34 | 177.9 | -168.8 | -177.4 | -76.4 | -148.8 | -0.1 | 111.7 | G456 R457 L461 | G456-R459 WeakPolarHBondContact O-CB 3.47Å; G456-R459 PolarHBondContact O-N 3.32Å; R457-R459 PolarHBondContact O-N 3.37Å; R459-L461 VanDerWaalsContact C-N 3.26Å; R459-L461 PolarHBondContact O-N 3.23Å |
| 460 | E | 81.3 | Confident | 77.2 | Confident | 100 Ų | 100 | 79.1 Ų | 79.1 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -84.7 | 5.4 | -178.1 | -64.3 | 175.4 | -172.8 | 0 | 0 | 113.7 | I406 R410 W458 N462 | I406-E460 HydrophobicContact CG2-CB 4.33Å; R410-E460 PolarHBondContact NE-O 3.1Å; R410-E460 PolarHBondContact NH2-O 2.91Å; W458-E460 VanDerWaalsContact C-N 3.27Å; W458-E460 PolarHBondContact O-N 3.33Å; E460-N462 PolarHBondContact O-N 3.1Å |
| 461 | L | 82.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -74.1 | -9.9 | -172.6 | -159.9 | 123.3 | 0 | 0 | 0 | 114.1 | E409 R410 N413 R451 R454 W458 R459 | E409-L461 HydrophobicContact CB-CD1 4.12Å; R410-L461 WeakPolarHBondContact CG-O 3.34Å; N413-L461 WeakPolarHBondContact ND2-CD2 3.45Å; R451-L461 HydrophobicContact CG-CD1 4.47Å; R454-L461 VanDerWaalsContact CZ-CD2 3.4Å; W458-L461 HydrophobicContact CD2-CD1 4.35Å; W458-L461 HydrophobicContact CE3-CD1 3.29Å; W458-L461 HydrophobicContact CZ3-CD1 3.71Å; W458-L461 VanDerWaalsContact O-CB 3.26Å; W458-L461 WeakPolarHBondContact O-CB 3.45Å; W458-L461 PolarHBondContact O-N 3.31Å; R459-L461 VanDerWaalsContact C-N 3.26Å; R459-L461 PolarHBondContact O-N 3.23Å |
| 462 | N | 73.8 | Confident | 75.8 | Confident | 43 Ų | 43 | 82.9 Ų | 82.9 | 23% | 0.23 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -112.1 | 135.7 | 169.8 | -61.8 | -10.6 | 0 | 0 | 0 | 107.6 | R410 R454 E460 | R410-N462 PolarHBondContact NE-O 3.1Å; R410-N462 PolarHBondContact NH2-O 2.75Å; R454-N462 PolarHBondContact NE-OD1 3.2Å; R454-N462 PolarHBondContact NH2-OD1 3.13Å; E460-N462 PolarHBondContact O-N 3.1Å |
| 463 | G | 66.3 | Low | 75 | Confident | 15 Ų | 15 | 87 Ų | 87 | 16% | 0.155 | 47% | 0.472 | C | S | . | . | trans | -40.4 | 155.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R410 E414 D465 | R410-G463 VanDerWaalsContact NE-N 3.17Å; E414-G463 VanDerWaalsContact OE1-CA 3.27Å; E414-G463 WeakPolarHBondContact OE1-CA 3.39Å; E414-G463 PolarHBondContact OE1-N 3.11Å; G463-D465 PolarHBondContact O-N 3.18Å; G463-D465 VanDerWaalsContact O-N 3.16Å | ||
| 464 | H | 60.3 | Low | 74 | Confident | 180 Ų | 180 | 88.7 Ų | 88.7 | 83% | 0.833 | 48% | 0.483 | S | S | * | . | trans | -57.8 | 122.8 | 163.4 | -117.4 | -77.8 | 0 | 0 | 0 | 107.2 | G466 | H464-G466 PolarHBondContact O-N 3.26Š| ||
| 465 | D | 52.8 | Low | 73.1 | Confident | 114 Ų | 114 | 91.9 Ų | 91.9 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | trans | -63.4 | 118.1 | 162.9 | -66.9 | -28 | 0 | 0 | 0 | 105.5 | R425 G463 | R425-D465 IonicContact CZ-OD1 3.22Å; R425-D465 VanDerWaalsContact CZ-OD1 3.28Å; R425-D465 IonicContact NH1-OD1 3.47Å; R425-D465 PolarHBondContact NH1-OD1 3.45Å; R425-D465 IonicContact NH2-OD1 2.73Å; R425-D465 PolarHBondContact NH2-OD1 2.71Å; G463-D465 PolarHBondContact O-N 3.18Å; G463-D465 VanDerWaalsContact O-N 3.16Å | ||
| 466 | G | 46.9 | Very low | 72.2 | Confident | 149 Ų | 149 | 85.8 Ų | 85.8 | 100% | 1.536 | 50% | 0.499 | S | S | * | . | trans | -61.4 | 0 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H464 | H464-G466 PolarHBondContact O-N 3.26Š|
Retrieved 466 of 466 residues in 836.9 ms
(Link to these results)