| 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 | 44.8 | Very low | 38.2 | Very low | 252 Ų | 252 | 150.1 Ų | 150.1 | 100% | 1.241 | 80% | 0.796 | S | S | * | * | 0 | 109.8 | 0 | -70.4 | 174.2 | 109.6 | 0 | 0 | 107.3 | |||||
| 2 | S | 33.9 | Very low | 38.2 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -95.8 | 140.8 | -175.4 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | S | 33.6 | Very low | 38.4 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -154.4 | 101.4 | 146.8 | -158.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 4 | L | 33.8 | Very low | 38.8 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 72% | 0.723 | 80% | 0.795 | S | S | * | * | trans | -60.8 | 148.4 | 157 | -77.4 | 140.2 | 0 | 0 | 0 | 110.4 | V6 | L4-V6 HydrophobicContact CD2-CG2 4.42Š| ||
| 5 | R | 43.3 | Very low | 39.4 | Very low | 244 Ų | 244 | 145.2 Ų | 145.2 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -132.2 | 125.4 | 150 | -75.5 | -168.5 | -175.8 | -179 | 2.4 | 108.7 | ||||
| 6 | V | 33.3 | Very low | 39.5 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 65% | 0.648 | 80% | 0.8 | S | S | * | * | trans | -130.2 | 158.1 | 173.8 | -175.4 | 0 | 0 | 0 | 0 | 107.2 | L4 | L4-V6 HydrophobicContact CD2-CG2 4.42Š| ||
| 7 | L | 33.1 | Very low | 39.5 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | 93.3 | 136.7 | 162.1 | -44.6 | 167.3 | 0 | 0 | 0 | 114.6 | ||||
| 8 | H | 37.2 | Very low | 39.7 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | cis | -165.9 | 169.8 | -10 | -118.5 | 69.6 | 0 | 0 | 0 | 106.9 | ||||
| 9 | P | 47.2 | Very low | 39.4 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 59% | 0.591 | 81% | 0.808 | S | S | * | * | trans | -99 | 167.9 | -172.1 | 38.2 | -30 | 0 | 0 | 0 | 114.2 | ||||
| 10 | H | 32.9 | Very low | 39.1 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 150.2 | 162.5 | 143.6 | -85.5 | -54.3 | 0 | 0 | 0 | 112.6 | ||||
| 11 | P | 47.5 | Very low | 38.9 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | cis | -129.1 | 163.7 | 5.1 | 27.7 | -5.4 | 0 | 0 | 0 | 117 | ||||
| 12 | V | 38.2 | Very low | 38.9 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -70.2 | 133.9 | 161.7 | 167 | 0 | 0 | 0 | 0 | 109.7 | K14 | V12-K14 HydrophobicContact CG1-CG 4.5Š| ||
| 13 | A | 39.9 | Very low | 38.8 | Very low | 102 Ų | 102 | 140 Ų | 140 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -107.1 | 126.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 14 | K | 44.5 | Very low | 38.9 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 164.9 | 174.2 | -91.5 | -175.8 | -178.1 | 177.7 | 0 | 110.7 | V12 | V12-K14 HydrophobicContact CG1-CG 4.5Š|
| 15 | P | 48 | Very low | 39.1 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 137.9 | -167.5 | 34.6 | -31 | 0 | 0 | 0 | 112.2 | ||
| 16 | D | 40.9 | Very low | 38.9 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 125.3 | 167.5 | -86.2 | -30.9 | 0 | 0 | 0 | 111 | ||
| 17 | K | 40 | Very low | 39.6 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 125 | 160.6 | -74.7 | -177.2 | 174.3 | -177.1 | 0 | 108 | ||
| 18 | L | 42.2 | Very low | 39.8 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 94% | 0.942 | 80% | 0.797 | S | S | * | * | trans | -134.3 | 137.7 | 150.6 | -87.5 | 169.8 | 0 | 0 | 0 | 110.3 | ||||
| 19 | S | 35 | Very low | 40 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -102.4 | 165 | -170.4 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 20 | V | 32.8 | Very low | 39.8 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | 101.1 | 107.3 | 155.4 | -171 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 21 | N | 35.2 | Very low | 40.6 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -48.4 | -172.1 | 157.3 | -101.4 | -32 | 0 | 0 | 0 | 115.2 | ||||
| 22 | P | 44.7 | Very low | 40.4 | Very low | 114 Ų | 114 | 146 Ų | 146 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | cis | -133.6 | 168 | -44.1 | 36 | -19.1 | 0 | 0 | 0 | 112.6 | ||||
| 23 | G | 31.1 | Very low | 40.5 | Very low | 72 Ų | 72 | 148 Ų | 148 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | 92.4 | 109.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 24 | Q | 35.4 | Very low | 40.6 | Very low | 197 Ų | 197 | 151.4 Ų | 151.4 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | -167.3 | 145 | 128 | -110.8 | 172.7 | -24 | 0 | 0 | 111.3 | |||||
| 25 | H | 39.2 | Very low | 40.6 | Very low | 182 Ų | 182 | 146 Ų | 146 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -66.3 | 144.9 | -172.3 | -67.1 | -116.1 | 0 | 0 | 0 | 113 | ||||
| 26 | Q | 39.1 | Very low | 40.4 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | -164.8 | 141 | 122.1 | -106.3 | -176.9 | 12.4 | 0 | 0 | 111.6 | |||||
| 27 | P | 47.5 | Very low | 40.4 | Very low | 112 Ų | 112 | 146.2 Ų | 146.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -101.2 | 135.6 | -178.2 | 36.2 | -26.3 | 0 | 0 | 0 | 110.8 | ||||
| 28 | L | 37.3 | Very low | 40.3 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -161.3 | 146.9 | 161 | -105.4 | 144.2 | 0 | 0 | 0 | 110 | ||||
| 29 | H | 41.5 | Very low | 39.9 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | 92.1 | 73.6 | -176.4 | -51.6 | -64.5 | 0 | 0 | 0 | 116.4 | ||||
| 30 | Q | 41.8 | Very low | 39.8 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 137.8 | 146.8 | -68.9 | 175.7 | -17.9 | 0 | 0 | 109.8 | ||
| 31 | P | 51.5 | Low | 40 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 149.1 | 163.5 | 30.5 | -30.8 | 0 | 0 | 0 | 110.5 | I33 | P31-I33 PolarHBondContact O-N 2.97Š|
| 32 | P | 43.6 | Very low | 39.8 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 127.3 | -175.2 | 27.3 | -31.8 | 0 | 0 | 0 | 111.1 | M34 | P32-M34 PolarHBondContact O-N 3.05Š|
| 33 | I | 39.7 | Very low | 39.2 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -64 | 108.9 | 168 | -65.3 | 168.4 | 0 | 0 | 0 | 107.4 | P31 A35 | P31-I33 PolarHBondContact O-N 2.97Å; I33-A35 PolarHBondContact O-N 3.03Å | ||
| 34 | M | 42.1 | Very low | 39.4 | Very low | 172 Ų | 172 | 157.6 Ų | 157.6 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 119.7 | 165.1 | -74 | -173 | 66.8 | 0 | 0 | 108.6 | P32 | P32-M34 PolarHBondContact O-N 3.05Š|
| 35 | A | 44.1 | Very low | 40.1 | Very low | 76 Ų | 76 | 153.3 Ų | 153.3 | 63% | 0.628 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59 | 144.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | I33 L37 | I33-A35 PolarHBondContact O-N 3.03Å; A35-L37 PolarHBondContact O-N 2.85Å |
| 36 | P | 44.7 | Very low | 40.2 | Very low | 123 Ų | 123 | 150.3 Ų | 150.3 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 123.9 | 173 | 26.5 | -30.9 | 0 | 0 | 0 | 109.4 | K38 | P36-K38 PolarHBondContact O-N 3.16Å; P36-K38 VanDerWaalsContact O-N 3.16Å |
| 37 | L | 39.2 | Very low | 40.1 | Very low | 165 Ų | 165 | 149 Ų | 149 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 117.4 | 169.7 | -72.4 | 165.4 | 0 | 0 | 0 | 108.7 | A35 V39 | A35-L37 PolarHBondContact O-N 2.85Å; L37-V39 PolarHBondContact O-N 3.03Å; L37-V39 VanDerWaalsContact O-N 3.1Å |
| 38 | K | 39.1 | Very low | 39.5 | Very low | 201 Ų | 201 | 150.3 Ų | 150.3 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -57.9 | 112 | 169.1 | -80.4 | -177.5 | 174.1 | 179.6 | 0 | 108.7 | P36 T40 | P36-K38 PolarHBondContact O-N 3.16Å; P36-K38 VanDerWaalsContact O-N 3.16Å; K38-T40 PolarHBondContact O-N 2.84Å; K38-T40 VanDerWaalsContact O-N 3.13Å | ||
| 39 | V | 32.6 | Very low | 39.4 | Very low | 131 Ų | 131 | 153.6 Ų | 153.6 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -71.1 | 102.6 | 164.2 | 173.7 | 0 | 0 | 0 | 0 | 107.4 | L37 Q41 | L37-V39 PolarHBondContact O-N 3.03Å; L37-V39 VanDerWaalsContact O-N 3.1Å; V39-Q41 PolarHBondContact O-N 3.04Å; V39-Q41 VanDerWaalsContact O-N 3.1Å | ||
| 40 | T | 33.3 | Very low | 39.6 | Very low | 118 Ų | 118 | 151 Ų | 151 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 100.2 | 167.7 | -55.6 | 0 | 0 | 0 | 0 | 108.3 | K38 R42 | K38-T40 PolarHBondContact O-N 2.84Å; K38-T40 VanDerWaalsContact O-N 3.13Å; T40-R42 PolarHBondContact O-N 2.87Å | ||
| 41 | Q | 37.5 | Very low | 39.2 | Very low | 147 Ų | 147 | 153.7 Ų | 153.7 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | -62.6 | 103.4 | 164.3 | -78.8 | -179.1 | -20.9 | 0 | 0 | 108.5 | V39 F43 | V39-Q41 PolarHBondContact O-N 3.04Å; V39-Q41 VanDerWaalsContact O-N 3.1Å; Q41-F43 HydrophobicContact CB-CE2 4.38Å; Q41-F43 PolarHBondContact O-N 3.02Å | ||
| 42 | R | 30.9 | Very low | 38.5 | Very low | 214 Ų | 214 | 160.2 Ų | 160.2 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -76.2 | 105.3 | 161 | -74.3 | -158 | -175.7 | -173.7 | 3.5 | 107.8 | T40 Y44 | T40-R42 PolarHBondContact O-N 2.87Å; R42-Y44 PolarHBondContact O-N 2.79Å | ||
| 43 | F | 32 | Very low | 38.1 | Very low | 179 Ų | 179 | 158.1 Ų | 158.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 117.8 | 164 | -75.9 | -94.4 | 0 | 0 | 0 | 108.9 | Q41 | Q41-F43 HydrophobicContact CB-CE2 4.38Å; Q41-F43 PolarHBondContact O-N 3.02Å |
| 44 | Y | 35.4 | Very low | 37.9 | Very low | 205 Ų | 205 | 154.4 Ų | 154.4 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 132.4 | 160.8 | -76.7 | -86.2 | 0 | 0 | 0 | 108.2 | R42 | R42-Y44 PolarHBondContact O-N 2.79Š|
| 45 | P | 49.5 | Very low | 37.9 | Very low | 106 Ų | 106 | 155 Ų | 155 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 149.7 | 175.2 | 29.6 | -31.7 | 0 | 0 | 0 | 110.8 | ||
| 46 | P | 41.5 | Very low | 37.6 | Very low | 119 Ų | 119 | 160.7 Ų | 160.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71 | 128.3 | 171 | -9.3 | 25.6 | 0 | 0 | 0 | 109.9 | D48 | P46-D48 PolarHBondContact O-N 3.23Š|
| 47 | N | 37.8 | Very low | 37.1 | Very low | 158 Ų | 158 | 162.4 Ų | 162.4 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -74.8 | 107.7 | 168.3 | -101.5 | -15.6 | 0 | 0 | 0 | 109.5 | ||||
| 48 | D | 35.5 | Very low | 37 | Very low | 140 Ų | 140 | 159.5 Ų | 159.5 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -63.8 | 134.3 | 156.3 | -81 | -48.2 | 0 | 0 | 0 | 110.5 | P46 | P46-D48 PolarHBondContact O-N 3.23Š| ||
| 49 | Y | 35.1 | Very low | 36.9 | Very low | 219 Ų | 219 | 157.4 Ų | 157.4 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | -175.4 | 154.1 | 148.8 | -85.3 | -48.2 | 0 | 0 | 0 | 109.5 | ||||
| 50 | P | 43.9 | Very low | 37.1 | Very low | 117 Ų | 117 | 158.6 Ų | 158.6 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | -110.6 | 150.7 | -98.7 | 22 | -3.4 | 0 | 0 | 0 | 115.2 | R52 | P50-R52 PolarHBondContact O-N 3.2Š| |||
| 51 | R | 34 | Very low | 37.3 | Very low | 242 Ų | 242 | 157.8 Ų | 157.8 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | trans | -54.1 | 110.4 | 162.4 | -168.2 | -175.6 | -160.9 | -163.5 | 6.4 | 111.3 | ||||
| 52 | R | 38.1 | Very low | 37.1 | Very low | 247 Ų | 247 | 156.4 Ų | 156.4 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | trans | -85.4 | 112.5 | 163 | -173.7 | 173 | -82.9 | -171.3 | -4.4 | 109.1 | P50 | P50-R52 PolarHBondContact O-N 3.2Š| ||
| 53 | A | 35.1 | Very low | 37.6 | Very low | 79 Ų | 79 | 151.6 Ų | 151.6 | 65% | 0.653 | 79% | 0.785 | S | S | * | * | trans | -84.3 | 142.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 54 | S | 35.3 | Very low | 38.6 | Very low | 84 Ų | 84 | 148.6 Ų | 148.6 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | trans | 72.2 | 109.6 | 134 | -157.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 55 | L | 42.2 | Very low | 39.3 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 97% | 0.969 | 78% | 0.78 | S | S | * | * | -132 | 141.7 | 116.5 | -79.5 | 178.5 | 0 | 0 | 0 | 109.8 | |||||
| 56 | R | 37.4 | Very low | 38.8 | Very low | 196 Ų | 196 | 144 Ų | 144 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | trans | -104.4 | 161.3 | -166.3 | -69 | 172.2 | 160.3 | -171.1 | -0.6 | 111.6 | ||||
| 57 | F | 34.8 | Very low | 38.9 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | trans | 69.3 | 113 | 148.8 | -69.2 | -63 | 0 | 0 | 0 | 120.1 | ||||
| 58 | A | 36.6 | Very low | 39.2 | Very low | 105 Ų | 105 | 145.6 Ų | 145.6 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | -151.9 | 123.8 | 108 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 59 | H | 37.3 | Very low | 39.8 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -86.2 | 162.3 | 166.4 | -83.4 | -99.9 | 0 | 0 | 0 | 110.2 | ||||
| 60 | L | 36.5 | Very low | 40.7 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | 116.3 | 103.1 | 146.9 | -63 | 169.1 | 0 | 0 | 0 | 116.7 | ||||
| 61 | S | 36.4 | Very low | 40.9 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | 65.8 | 120.3 | 120.8 | -57.3 | 0 | 0 | 0 | 0 | 120 | |||||
| 62 | S | 35 | Very low | 41.9 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | 157.5 | 123.8 | 99.4 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 63 | S | 40.8 | Very low | 42.5 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -77.8 | 173.4 | 150.7 | -45.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 64 | P | 51.7 | Low | 43.2 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | cis | -146.2 | -142.8 | 15.3 | 41 | -16.5 | 0 | 0 | 0 | 112.1 | ||||
| 65 | P | 50.6 | Low | 43.9 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | -121.6 | 177 | -51.3 | 29 | -9.5 | 0 | 0 | 0 | 114.2 | |||||
| 66 | S | 39.4 | Very low | 44.2 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | trans | 77.1 | 122.9 | 142.7 | -158.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 67 | S | 44.4 | Very low | 44.6 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | trans | 56.7 | 110 | 143.3 | 59.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 68 | Y | 42.5 | Very low | 45.6 | Very low | 223 Ų | 223 | 136.9 Ų | 136.9 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | 178 | 124.2 | 109.8 | -97.2 | -78.2 | 0 | 0 | 0 | 108.5 | |||||
| 69 | V | 49.3 | Very low | 46.4 | Very low | 131 Ų | 131 | 142 Ų | 142 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -78.6 | 135.5 | 169.5 | 176.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 70 | P | 52.9 | Low | 46.8 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -127 | 129.5 | 134 | 9 | 11.9 | 0 | 0 | 0 | 112.3 | S72 | P70-S72 PolarHBondContact O-N 3.05Š| ||
| 71 | T | 48.9 | Very low | 47.5 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -54.3 | 109.5 | 163.4 | 17.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 72 | S | 53.9 | Low | 48.2 | Very low | 92 Ų | 92 | 146.6 Ų | 146.6 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | 179.3 | 138.6 | 128.7 | 81.6 | 0 | 0 | 0 | 0 | 110.2 | P70 R74 | P70-S72 PolarHBondContact O-N 3.05Å; S72-R74 PolarHBondContact O-N 3.13Å | |||
| 73 | P | 51.8 | Low | 49.1 | Very low | 131 Ų | 131 | 145 Ų | 145 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -74.1 | 112.2 | 172.2 | 27.9 | -29.4 | 0 | 0 | 0 | 110.1 | S75 | P73-S75 PolarHBondContact O-N 3.21Å; P73-S75 VanDerWaalsContact O-N 3.1Å | ||
| 74 | R | 49.3 | Very low | 50.2 | Low | 232 Ų | 232 | 144.4 Ų | 144.4 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | trans | -68.5 | 105 | 171.3 | -70.8 | -175.3 | 177.7 | -173.8 | -0.1 | 109.6 | S72 C76 | S72-R74 PolarHBondContact O-N 3.13Å; R74-C76 PolarHBondContact O-N 3.44Å | ||
| 75 | S | 50.2 | Low | 50.5 | Low | 91 Ų | 91 | 145.9 Ų | 145.9 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -61.5 | 114.4 | 167.1 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | P73 F77 | P73-S75 PolarHBondContact O-N 3.21Å; P73-S75 VanDerWaalsContact O-N 3.1Å; S75-F77 PolarHBondContact O-N 2.84Å; S75-F77 VanDerWaalsContact OG-CD2 3.22Å; S75-F77 WeakPolarHBondContact OG-CD2 3.48Å | ||
| 76 | C | 47.9 | Very low | 51.5 | Low | 127 Ų | 127 | 149.7 Ų | 149.7 | 86% | 0.858 | 78% | 0.782 | S | S | * | * | trans | -87.5 | 32.9 | 174.6 | 37.4 | 0 | 0 | 0 | 0 | 113.2 | R74 R78 | R74-C76 PolarHBondContact O-N 3.44Å; C76-R78 PolarHBondContact O-N 3.19Å | ||
| 77 | F | 47.3 | Very low | 53.1 | Low | 190 Ų | 190 | 154.5 Ų | 154.5 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | -79.3 | 90.2 | 168.2 | -68.2 | -63.1 | 0 | 0 | 0 | 110.3 | S75 K79 | S75-F77 PolarHBondContact O-N 2.84Å; S75-F77 VanDerWaalsContact OG-CD2 3.22Å; S75-F77 WeakPolarHBondContact OG-CD2 3.48Å; F77-K79 PolarHBondContact O-N 3.1Å; F77-K79 VanDerWaalsContact O-N 3.08Å | ||
| 78 | R | 55.6 | Low | 54.4 | Low | 236 Ų | 236 | 160.2 Ų | 160.2 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | -60.1 | 107.1 | 159.6 | -79.4 | -119 | -123.2 | -132.2 | 0.7 | 108.8 | C76 Y80 | C76-R78 PolarHBondContact O-N 3.19Å; R78-Y80 PolarHBondContact O-N 3.11Å | ||
| 79 | K | 52.5 | Low | 56.1 | Low | 212 Ų | 212 | 155.6 Ų | 155.6 | 92% | 0.922 | 79% | 0.793 | S | S | * | * | trans | -68.4 | 106.8 | 157.6 | -88 | 178.4 | 173.6 | 175.8 | 0 | 107.7 | F77 | F77-K79 PolarHBondContact O-N 3.1Å; F77-K79 VanDerWaalsContact O-N 3.08Å | ||
| 80 | Y | 46.9 | Very low | 57.4 | Low | 215 Ų | 215 | 154.7 Ų | 154.7 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -123.1 | 127.9 | 159.6 | -141.4 | -95.3 | 0 | 0 | 0 | 108.5 | R78 | R78-Y80 PolarHBondContact O-N 3.11Š| ||
| 81 | S | 49.8 | Very low | 58.8 | Low | 91 Ų | 91 | 156.5 Ų | 156.5 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -71.9 | 140.6 | -171.6 | 33.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 82 | F | 51.3 | Low | 60.7 | Low | 204 Ų | 204 | 152.6 Ų | 152.6 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | trans | 33.8 | 95.5 | 148.7 | -63.5 | -85.3 | 0 | 0 | 0 | 119.7 | ||||
| 83 | S | 55.2 | Low | 62 | Low | 86 Ų | 86 | 151.5 Ų | 151.5 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | -119 | 132.1 | 121.8 | 71.8 | 0 | 0 | 0 | 0 | 107.1 | H85 | S83-H85 PolarHBondContact O-N 2.03Å; S83-H85 PolarHBondContact OG-ND1 2.92Å | |||
| 84 | A | 62 | Low | 63.4 | Low | 100 Ų | 100 | 155 Ų | 155 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | -74.4 | 52.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K86 | A84-K86 PolarHBondContact O-N 3.36Š| ||
| 85 | H | 59.8 | Low | 64.9 | Low | 146 Ų | 146 | 149.3 Ų | 149.3 | 68% | 0.676 | 74% | 0.743 | S | S | * | * | trans | -87.2 | 97.9 | 173.1 | -61.5 | 21.9 | 0 | 0 | 0 | 105.9 | S83 K87 | S83-H85 PolarHBondContact O-N 2.03Å; S83-H85 PolarHBondContact OG-ND1 2.92Å; H85-K87 VanDerWaalsContact C-N 3.29Å; H85-K87 PolarHBondContact O-N 3.49Å | ||
| 86 | K | 70 | Confident | 66.1 | Low | 194 Ų | 194 | 147.9 Ų | 147.9 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | -57.8 | 97.6 | 171.7 | -70.9 | -179.8 | 179.2 | 177.3 | 0 | 107.4 | A84 R88 | A84-K86 PolarHBondContact O-N 3.36Å; K86-R88 PolarHBondContact O-N 2.8Å | ||
| 87 | K | 74.7 | Confident | 67.5 | Low | 202 Ų | 202 | 150.5 Ų | 150.5 | 88% | 0.878 | 73% | 0.734 | S | S | * | * | trans | -64.3 | 108.7 | 170.5 | -68.5 | -173.8 | 179.4 | -177.9 | 0 | 106.2 | H85 | H85-K87 VanDerWaalsContact C-N 3.29Å; H85-K87 PolarHBondContact O-N 3.49Å | ||
| 88 | R | 71.5 | Confident | 69 | Low | 208 Ų | 208 | 144.3 Ų | 144.3 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | -96 | 123 | 174.5 | -67.2 | -172.7 | -64 | 172.7 | 1.6 | 107.4 | K86 | K86-R88 PolarHBondContact O-N 2.8Š| ||
| 89 | V | 77.8 | Confident | 70.1 | Confident | 126 Ų | 126 | 138.9 Ų | 138.9 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | trans | -86.6 | 125.8 | 166.6 | 179.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 90 | I | 77.3 | Confident | 71.1 | Confident | 112 Ų | 112 | 134.4 Ų | 134.4 | 57% | 0.574 | 70% | 0.697 | S | S | * | * | trans | -117.8 | 131.7 | 171.4 | -57.8 | 174.6 | 0 | 0 | 0 | 105.7 | A98 | I90-A98 HydrophobicContact CG2-CB 3.82Š| ||
| 91 | F | 81.9 | Confident | 72.3 | Confident | 155 Ų | 155 | 130.2 Ų | 130.2 | 68% | 0.68 | 69% | 0.694 | S | S | * | * | trans | -77.7 | 128.8 | 172.6 | -65.5 | -84.4 | 0 | 0 | 0 | 108.7 | L99 | F91-L99 HydrophobicContact CB-CD1 3.55Å; F91-L99 HydrophobicContact CB-CG 4.22Å; F91-L99 PolarHBondContact O-N 2.78Å | ||
| 92 | A | 88.3 | Confident | 73.3 | Confident | 55 Ų | 55 | 133.4 Ų | 133.4 | 46% | 0.455 | 70% | 0.698 | S | S | . | * | B | Isolated β-bridge | trans | -123.4 | 157.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R97 | A92-R97 CarbonylContact C-O 3.59Å; A92-R97 WeakPolarHBondContact CA-O 3.45Å; A92-R97 VanDerWaalsContact CB-O 3.31Å; A92-R97 WeakPolarHBondContact CB-O 3.29Å |
| 93 | D | 81.1 | Confident | 74 | Confident | 68 Ų | 68 | 131 Ų | 131 | 36% | 0.364 | 69% | 0.69 | S | S | . | * | trans | -73.2 | 178.8 | 171.9 | 66.3 | 13.5 | 0 | 0 | 0 | 112.3 | V95 G96 R97 | D93-V95 VanDerWaalsContact CG-CG2 3.48Å; D93-V95 PolarHBondContact O-N 3.43Å; D93-V95 VanDerWaalsContact OD1-C 3.29Å; D93-V95 WeakPolarHBondContact OD1-CA 2.92Å; D93-V95 WeakPolarHBondContact OD1-CG2 3.31Å; D93-V95 PolarHBondContact OD1-N 2.83Å; D93-V95 WeakPolarHBondContact OD2-CG2 3.36Å; D93-G96 PolarHBondContact O-N 3.28Å; D93-G96 PolarHBondContact OD1-N 2.86Å; D93-R97 PolarHBondContact N-O 3.08Å; D93-R97 PolarHBondContact OD1-N 2.7Å | ||
| 94 | E | 81.4 | Confident | 74.7 | Confident | 206 Ų | 206 | 132.3 Ų | 132.3 | 96% | 0.963 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -13.9 | -179.9 | -62.2 | -179.2 | 175.2 | 0 | 0 | 113.6 | ||
| 95 | V | 81.1 | Confident | 74.3 | Confident | 112 Ų | 112 | 136.6 Ų | 136.6 | 68% | 0.679 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 7.9 | 177.2 | -60.4 | 0 | 0 | 0 | 0 | 113 | D93 R97 | D93-V95 VanDerWaalsContact CG-CG2 3.48Å; D93-V95 PolarHBondContact O-N 3.43Å; D93-V95 VanDerWaalsContact OD1-C 3.29Å; D93-V95 WeakPolarHBondContact OD1-CA 2.92Å; D93-V95 WeakPolarHBondContact OD1-CG2 3.31Å; D93-V95 PolarHBondContact OD1-N 2.83Å; D93-V95 WeakPolarHBondContact OD2-CG2 3.36Å; V95-R97 HydrophobicContact CG2-CG 4.19Å |
| 96 | G | 75.3 | Confident | 74.6 | Confident | 61 Ų | 61 | 135.6 Ų | 135.6 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 84.7 | 16.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | D93 | D93-G96 PolarHBondContact O-N 3.28Å; D93-G96 PolarHBondContact OD1-N 2.86Å |
| 97 | R | 76.8 | Confident | 74.2 | Confident | 182 Ų | 182 | 132.9 Ų | 132.9 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 139.2 | 176.8 | -60.1 | 177.3 | 176.2 | -154.2 | -0.8 | 111.2 | A92 D93 V95 L99 | A92-R97 CarbonylContact C-O 3.59Å; A92-R97 WeakPolarHBondContact CA-O 3.45Å; A92-R97 VanDerWaalsContact CB-O 3.31Å; A92-R97 WeakPolarHBondContact CB-O 3.29Å; D93-R97 PolarHBondContact N-O 3.08Å; D93-R97 PolarHBondContact OD1-N 2.7Å; V95-R97 HydrophobicContact CG2-CG 4.19Å; R97-L99 PolarHBondContact O-N 2.8Å |
| 98 | A | 79.4 | Confident | 73.5 | Confident | 60 Ų | 60 | 130.8 Ų | 130.8 | 50% | 0.496 | 69% | 0.692 | S | S | . | * | B | Isolated β-bridge | trans | -60.2 | 134.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I90 T100 | I90-A98 HydrophobicContact CG2-CB 3.82Å; A98-T100 PolarHBondContact O-N 3.2Å |
| 99 | L | 78.4 | Confident | 73.3 | Confident | 121 Ų | 121 | 125.8 Ų | 125.8 | 63% | 0.634 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 116 | 175.8 | -70.9 | 175.2 | 0 | 0 | 0 | 110.5 | F91 R97 | F91-L99 HydrophobicContact CB-CD1 3.55Å; F91-L99 HydrophobicContact CB-CG 4.22Å; F91-L99 PolarHBondContact O-N 2.78Å; R97-L99 PolarHBondContact O-N 2.8Å |
| 100 | T | 74.6 | Confident | 72.3 | Confident | 118 Ų | 118 | 125.9 Ų | 125.9 | 72% | 0.724 | 69% | 0.689 | S | S | * | * | trans | -106.9 | 134.9 | 172.5 | 49.2 | 0 | 0 | 0 | 0 | 109.9 | A98 | A98-T100 PolarHBondContact O-N 3.2Š| ||
| 101 | V | 71.4 | Confident | 71.6 | Confident | 128 Ų | 128 | 124.7 Ų | 124.7 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | trans | -95.1 | 113.5 | 175 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 102 | E | 70 | Confident | 70.7 | Confident | 158 Ų | 158 | 122.7 Ų | 122.7 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | trans | -100.2 | 125.7 | 171.6 | -68 | -173.4 | 171 | 0 | 0 | 109.8 | V104 | E102-V104 PolarHBondContact O-N 2.82Š| ||
| 103 | H | 65.9 | Low | 69.1 | Low | 154 Ų | 154 | 125.7 Ų | 125.7 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | trans | -87.7 | 103.4 | 170.6 | -71.8 | 157.6 | 0 | 0 | 0 | 109.2 | F105 | H103-F105 HydrophobicContact CB-CE2 4.1Š| ||
| 104 | V | 69.4 | Low | 67.5 | Low | 112 Ų | 112 | 128.3 Ų | 128.3 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | trans | -90 | 109.6 | 172.7 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | E102 T106 | E102-V104 PolarHBondContact O-N 2.82Å; V104-T106 PolarHBondContact O-N 2.9Å | ||
| 105 | F | 54.8 | Low | 66.2 | Low | 190 Ų | 190 | 122.4 Ų | 122.4 | 83% | 0.833 | 72% | 0.715 | S | S | * | * | trans | -85.1 | 100 | 169.8 | -65.8 | -83.6 | 0 | 0 | 0 | 108.7 | H103 | H103-F105 HydrophobicContact CB-CE2 4.1Š| ||
| 106 | T | 65.1 | Low | 64.4 | Low | 125 Ų | 125 | 123.1 Ų | 123.1 | 77% | 0.767 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 118.2 | 171 | -2.7 | 0 | 0 | 0 | 0 | 109.3 | V104 E108 | V104-T106 PolarHBondContact O-N 2.9Å; T106-E108 PolarHBondContact O-N 3.01Å |
| 107 | T | 63 | Low | 62.8 | Low | 138 Ų | 138 | 123.8 Ų | 123.8 | 85% | 0.847 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 118 | 167.2 | -45.2 | 0 | 0 | 0 | 0 | 108.3 | ||
| 108 | E | 59.9 | Low | 61.4 | Low | 158 Ų | 158 | 118.8 Ų | 118.8 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 133.8 | 179.2 | -167.5 | -172.6 | 160 | 0 | 0 | 110.8 | T106 | T106-E108 PolarHBondContact O-N 3.01Š|
| 109 | P | 65.9 | Low | 60 | Low | 103 Ų | 103 | 122.4 Ų | 122.4 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 144.7 | 168.8 | 28.1 | -32 | 0 | 0 | 0 | 109.9 | S111 | P109-S111 PolarHBondContact O-N 3.38Š|
| 110 | P | 58.1 | Low | 58.9 | Low | 128 Ų | 128 | 121.7 Ų | 121.7 | 83% | 0.831 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 128 | -175.6 | 22.1 | -31.9 | 0 | 0 | 0 | 111 | ||
| 111 | S | 62.6 | Low | 58.3 | Low | 87 Ų | 87 | 117.1 Ų | 117.1 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 139.9 | 177.8 | 58 | 0 | 0 | 0 | 0 | 111.6 | P109 | P109-S111 PolarHBondContact O-N 3.38Š|
| 112 | P | 62 | Low | 57.5 | Low | 113 Ų | 113 | 115.4 Ų | 115.4 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 145.2 | 168.8 | 25.2 | -32.3 | 0 | 0 | 0 | 109.7 | ||
| 113 | P | 55.5 | Low | 56.7 | Low | 117 Ų | 117 | 118.7 Ų | 118.7 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -57 | 140.6 | -177 | 22.9 | -32.4 | 0 | 0 | 0 | 110.1 | A115 | P113-A115 PolarHBondContact O-N 2.8Š|
| 114 | P | 47.8 | Very low | 55.9 | Low | 123 Ų | 123 | 116.7 Ų | 116.7 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 130.7 | 179.3 | 21.4 | -30.7 | 0 | 0 | 0 | 109.6 | ||
| 115 | A | 53.3 | Low | 54.7 | Low | 83 Ų | 83 | 116.8 Ų | 116.8 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 142.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109 | P113 A117 | P113-A115 PolarHBondContact O-N 2.8Å; A115-A117 PolarHBondContact O-N 2.71Å |
| 116 | P | 43.1 | Very low | 54.2 | Low | 127 Ų | 127 | 117.6 Ų | 117.6 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 118.5 | -172.8 | 19.7 | -31.4 | 0 | 0 | 0 | 109.2 | T118 | P116-T118 PolarHBondContact O-N 3.33Š|
| 117 | A | 42.3 | Very low | 53 | Low | 74 Ų | 74 | 114.2 Ų | 114.2 | 61% | 0.612 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 131.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | A115 N119 | A115-A117 PolarHBondContact O-N 2.71Å; A117-N119 VanDerWaalsContact C-N 3.26Å; A117-N119 PolarHBondContact O-N 2.81Å |
| 118 | T | 47.8 | Very low | 51.9 | Low | 77 Ų | 77 | 115.9 Ų | 115.9 | 47% | 0.472 | 70% | 0.696 | S | S | . | * | trans | -58.2 | 102.8 | 162 | -61.4 | 0 | 0 | 0 | 0 | 105.1 | P116 P120 | P116-T118 PolarHBondContact O-N 3.33Å; T118-P120 WeakPolarHBondContact O-CD 3.42Å | ||
| 119 | N | 49 | Very low | 51 | Low | 136 Ų | 136 | 117.9 Ų | 117.9 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 118.9 | -178.2 | -74.4 | -55.8 | 0 | 0 | 0 | 107.2 | A117 | A117-N119 VanDerWaalsContact C-N 3.26Å; A117-N119 PolarHBondContact O-N 2.81Å |
| 120 | P | 55.3 | Low | 49.4 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 69% | 0.688 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 148.1 | 177.7 | 22.6 | -31.5 | 0 | 0 | 0 | 108.5 | T118 | T118-P120 WeakPolarHBondContact O-CD 3.42Š|
| 121 | C | 61.4 | Low | 48.8 | Very low | 22 Ų | 22 | 119.5 Ų | 119.5 | 15% | 0.149 | 71% | 0.708 | C | S | . | * | P | Polyproline II helix | trans | -55.2 | 130.8 | -179 | -134 | 0 | 0 | 0 | 0 | 110.3 | R123 C230 | C121-R123 VanDerWaalsContact C-N 3.32Å; C121-R123 PolarHBondContact O-N 3.42Å; C121-C230 WeakPolarHBondContact CA-SG 3.38Å; C121-C230 HydrophobicContact CB-CB 4.39Å; C121-C230 WeakPolarHBondContact CB-SG 2.97Å; C121-C230 VanDerWaalsContact SG-CA 3.57Å; C121-C230 WeakPolarHBondContact SG-CB 2.87Å; C121-C230 CovalentContact SG-SG 2.03Å; C121-C230 PolarHBondContact SG-SG 2.83Å |
| 122 | P | 55.5 | Low | 47.9 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 60% | 0.604 | 72% | 0.717 | S | S | * | * | trans | -59.3 | 100.9 | 171.8 | -19 | 30 | 0 | 0 | 0 | 107.8 | ||||
| 123 | R | 52.3 | Low | 46.6 | Very low | 226 Ų | 226 | 122.8 Ų | 122.8 | 85% | 0.853 | 72% | 0.718 | S | S | * | * | trans | -67.2 | 127.6 | 170.9 | -75.1 | -175 | -85.7 | 154.3 | -6.4 | 106.6 | C121 S125 | C121-R123 VanDerWaalsContact C-N 3.32Å; C121-R123 PolarHBondContact O-N 3.42Å; R123-S125 PolarHBondContact O-N 3.42Å | ||
| 124 | P | 50.3 | Low | 46 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -58 | 116.3 | 167.9 | -16.4 | 29.1 | 0 | 0 | 0 | 107.2 | E126 | P124-E126 PolarHBondContact O-N 3.17Å; P124-E126 VanDerWaalsContact O-N 3.16Å | ||
| 125 | S | 43.4 | Very low | 45.6 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | trans | -63.2 | 115.2 | 173.8 | 34.1 | 0 | 0 | 0 | 0 | 108.8 | R123 G127 | R123-S125 PolarHBondContact O-N 3.42Å; S125-G127 PolarHBondContact O-N 2.8Å | ||
| 126 | E | 44.9 | Very low | 45.2 | Very low | 207 Ų | 207 | 129 Ų | 129 | 97% | 0.967 | 72% | 0.723 | S | S | * | * | trans | -67 | 78.5 | 165 | -69.5 | -174 | 138.8 | 0 | 0 | 108.7 | P124 | P124-E126 PolarHBondContact O-N 3.17Å; P124-E126 VanDerWaalsContact O-N 3.16Å | ||
| 127 | G | 39.8 | Very low | 45.5 | Very low | 53 Ų | 53 | 127.8 Ų | 127.8 | 55% | 0.546 | 72% | 0.718 | S | S | . | * | trans | -122 | 110.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | S125 | S125-G127 PolarHBondContact O-N 2.8Š| ||
| 128 | Q | 39.7 | Very low | 46.3 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | 43.5 | 99.7 | 171.1 | -89.6 | 110.2 | -23 | 0 | 0 | 117.6 | N130 | Q128-N130 PolarHBondContact O-N 2.81Š| ||
| 129 | Q | 40.2 | Very low | 47.3 | Very low | 201 Ų | 201 | 132 Ų | 132 | 94% | 0.939 | 73% | 0.729 | S | S | * | * | trans | -63.4 | 102.7 | 156.1 | -68 | -177.7 | -5.8 | 0 | 0 | 109.8 | ||||
| 130 | N | 34.2 | Very low | 48.5 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | trans | -87.7 | 128.1 | 156.6 | -79 | -37.5 | 0 | 0 | 0 | 108.2 | Q128 T132 | Q128-N130 PolarHBondContact O-N 2.81Å; N130-T132 PolarHBondContact O-N 2.97Å | ||
| 131 | P | 44.4 | Very low | 49.9 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -85 | 40 | -169.3 | 36.2 | -36.5 | 0 | 0 | 0 | 113.3 | ||
| 132 | T | 43.6 | Very low | 51.2 | Low | 130 Ų | 130 | 128.3 Ų | 128.3 | 80% | 0.798 | 70% | 0.695 | S | S | * | * | trans | -150.8 | 62.7 | 179.1 | -35.1 | 0 | 0 | 0 | 0 | 112.7 | N130 | N130-T132 PolarHBondContact O-N 2.97Š| ||
| 133 | N | 35.3 | Very low | 52.9 | Low | 140 Ų | 140 | 126.3 Ų | 126.3 | 75% | 0.749 | 68% | 0.676 | S | S | * | * | trans | -156.1 | 96.8 | 149.8 | -139.9 | -21.8 | 0 | 0 | 0 | 111 | N135 | N133-N135 PolarHBondContact O-N 3.28Š| ||
| 134 | R | 42.8 | Very low | 54.9 | Low | 245 Ų | 245 | 116.9 Ų | 116.9 | 93% | 0.925 | 64% | 0.642 | S | S | * | * | trans | -80.2 | 59.2 | 176 | -71 | -175.6 | 173.7 | -164.7 | -0.7 | 111.3 | ||||
| 135 | N | 39.9 | Very low | 56.8 | Low | 142 Ų | 142 | 111.8 Ų | 111.8 | 76% | 0.759 | 61% | 0.61 | S | S | * | * | trans | -110.4 | 89.7 | 159.1 | -80.6 | 2 | 0 | 0 | 0 | 106.9 | N133 S137 | N133-N135 PolarHBondContact O-N 3.28Å; N135-S137 PolarHBondContact O-N 3.37Å | ||
| 136 | G | 44.1 | Very low | 59.1 | Low | 66 Ų | 66 | 106.6 Ų | 106.6 | 68% | 0.68 | 57% | 0.573 | S | S | * | * | trans | -56.2 | 110.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L138 | G136-L138 PolarHBondContact O-N 2.85Š| ||
| 137 | S | 48.8 | Very low | 61.1 | Low | 101 Ų | 101 | 98.7 Ų | 98.7 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | trans | -61.9 | 92.8 | 163.5 | -175.3 | 0 | 0 | 0 | 0 | 107.1 | N135 T139 | N135-S137 PolarHBondContact O-N 3.37Å; S137-T139 PolarHBondContact O-N 2.75Å | ||
| 138 | L | 60.8 | Low | 63.4 | Low | 166 Ų | 166 | 99.4 Ų | 99.4 | 87% | 0.869 | 53% | 0.529 | S | S | * | . | trans | -73.9 | 75.7 | 175.4 | -72.9 | 167.2 | 0 | 0 | 0 | 107.8 | G136 P140 | G136-L138 PolarHBondContact O-N 2.85Å; L138-P140 WeakPolarHBondContact O-CD 3.12Å | ||
| 139 | T | 67.6 | Low | 65.2 | Low | 75 Ų | 75 | 91.6 Ų | 91.6 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 122.7 | 169.6 | 51.1 | 0 | 0 | 0 | 0 | 108 | S137 K141 | S137-T139 PolarHBondContact O-N 2.75Å; T139-K141 PolarHBondContact O-N 2.78Å |
| 140 | P | 74.9 | Confident | 66.6 | Low | 21 Ų | 21 | 83.1 Ų | 83.1 | 14% | 0.136 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 126.3 | -179.5 | 23.3 | -31.2 | 0 | 0 | 0 | 108.7 | L138 F142 N175 Q233 R269 | L138-P140 WeakPolarHBondContact O-CD 3.12Å; P140-F142 HydrophobicContact CB-CE2 4.01Å; P140-F142 HydrophobicContact CB-CZ 3.93Å; P140-F142 HydrophobicContact CG-CE2 3.74Å; P140-F142 HydrophobicContact CG-CZ 3.84Å; P140-F142 WeakPolarHBondContact O-CD2 3.32Å; P140-N175 PolarHBondContact O-ND2 2.79Å; P140-N175 VanDerWaalsContact O-ND2 3.13Å; P140-Q233 WeakPolarHBondContact CD-O 3.5Å; P140-Q233 VanDerWaalsContact CG-O 3.31Å; P140-Q233 WeakPolarHBondContact CG-O 3.45Å; P140-R269 HydrophobicContact CB-CG 4.5Å |
| 141 | K | 85.2 | Confident | 68.3 | Low | 145 Ų | 145 | 85.4 Ų | 85.4 | 63% | 0.63 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 136.7 | 171.9 | -67.3 | -175.1 | 179.5 | -176.2 | 0 | 109 | T139 E270 | T139-K141 PolarHBondContact O-N 2.78Å; K141-E270 HydrophobicContact CB-CB 3.96Å; K141-E270 HydrophobicContact CB-CG 4.1Å; K141-E270 VanDerWaalsContact CB-OE2 3.29Å; K141-E270 WeakPolarHBondContact CB-OE2 3.26Å; K141-E270 WeakPolarHBondContact CD-OE2 3.22Å; K141-E270 PolarHBondContact O-N 2.63Å |
| 142 | F | 88.4 | Confident | 70 | Confident | 19 Ų | 19 | 83.4 Ų | 83.4 | 8% | 0.083 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.4 | -178.4 | -66.5 | -73.6 | 0 | 0 | 0 | 110.6 | P140 I172 L231 I241 V267 L268 R269 | P140-F142 HydrophobicContact CB-CE2 4.01Å; P140-F142 HydrophobicContact CB-CZ 3.93Å; P140-F142 HydrophobicContact CG-CE2 3.74Å; P140-F142 HydrophobicContact CG-CZ 3.84Å; P140-F142 WeakPolarHBondContact O-CD2 3.32Å; F142-I172 HydrophobicContact CB-CD1 3.82Å; F142-I172 HydrophobicContact CB-CG2 4.5Å; F142-L231 HydrophobicContact CB-CD1 3.72Å; F142-L231 HydrophobicContact CD2-CB 3.93Å; F142-L231 HydrophobicContact CD2-CD1 3.52Å; F142-L231 HydrophobicContact CD2-CG 4.35Å; F142-L231 HydrophobicContact CE2-CB 3.8Å; F142-L231 HydrophobicContact CE2-CD1 4.26Å; F142-L231 HydrophobicContact CG-CD1 3.73Å; F142-L231 HydrophobicContact CZ-CB 4.49Å; F142-I241 HydrophobicContact CD1-CD1 4.06Å; F142-I241 HydrophobicContact CE1-CD1 3.51Å; F142-I241 HydrophobicContact CZ-CD1 3.97Å; F142-V267 HydrophobicContact CB-CG1 3.73Å; F142-V267 HydrophobicContact CD1-CG1 3.86Å; F142-V267 HydrophobicContact CG-CG1 4.04Å; F142-L268 CarbonylContact C-O 3.6Å; F142-L268 WeakPolarHBondContact CA-O 3.35Å; F142-R269 HydrophobicContact CD1-CB 4.42Å; F142-R269 HydrophobicContact CE1-CB 4.36Å |
| 143 | R | 91.3 | Very high | 71.9 | Confident | 52 Ų | 52 | 79.9 Ų | 79.9 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 158.2 | 173.5 | 66.1 | 178.8 | -179.2 | 138 | -2.9 | 111 | L268 E270 | R143-L268 HydrophobicContact CG-CB 4.1Å; R143-L268 PolarHBondContact N-O 3.1Å; R143-L268 PolarHBondContact O-N 3.22Å; R143-E270 HydrophobicContact CB-CG 4.26Å; R143-E270 HydrophobicContact CG-CG 4.11Å |
| 144 | L | 93.1 | Very high | 74.3 | Confident | 28 Ų | 28 | 78 Ų | 78 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 131 | 174 | -55.3 | 178.9 | 0 | 0 | 0 | 110 | F146 C170 I172 L177 | L144-F146 HydrophobicContact CB-CD1 4.35Å; L144-F146 HydrophobicContact CB-CE1 4.13Å; L144-F146 HydrophobicContact CB-CZ 4.23Å; L144-F146 HydrophobicContact CD1-CE2 4.3Å; L144-F146 HydrophobicContact CD1-CZ 4.23Å; L144-F146 HydrophobicContact CD2-CE1 3.98Å; L144-F146 HydrophobicContact CD2-CZ 3.77Å; L144-F146 HydrophobicContact CG-CZ 4.29Å; L144-F146 PolarHBondContact O-N 3.44Å; L144-C170 HydrophobicContact CD1-CB 4.26Å; L144-C170 WeakPolarHBondContact CD1-O 3.35Å; L144-I172 HydrophobicContact CD2-CD1 3.87Å; L144-I172 HydrophobicContact CD2-CG1 3.9Å; L144-I172 HydrophobicContact CG-CD1 4.45Å; L144-L177 HydrophobicContact CD2-CD1 3.75Å |
| 145 | G | 91.6 | Very high | 76.3 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -86.6 | 16.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K266 F284 | G145-K266 WeakPolarHBondContact CA-O 3.39Å; G145-K266 PolarHBondContact N-O 3.34Å; G145-F284 VanDerWaalsContact O-CZ 3.3Å; G145-F284 WeakPolarHBondContact O-CZ 3.29Å |
| 146 | F | 89.9 | Confident | 78.5 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -148.2 | 152.6 | -175 | 57.1 | -87.4 | 0 | 0 | 0 | 110 | L144 M167 C170 F243 Y265 K266 F284 | L144-F146 HydrophobicContact CB-CD1 4.35Å; L144-F146 HydrophobicContact CB-CE1 4.13Å; L144-F146 HydrophobicContact CB-CZ 4.23Å; L144-F146 HydrophobicContact CD1-CE2 4.3Å; L144-F146 HydrophobicContact CD1-CZ 4.23Å; L144-F146 HydrophobicContact CD2-CE1 3.98Å; L144-F146 HydrophobicContact CD2-CZ 3.77Å; L144-F146 HydrophobicContact CG-CZ 4.29Å; L144-F146 PolarHBondContact O-N 3.44Å; F146-M167 HydrophobicContact CD2-CE 4.14Å; F146-M167 HydrophobicContact CE2-CE 3.28Å; F146-M167 HydrophobicContact CZ-CE 3.67Å; F146-C170 HydrophobicContact CE2-CB 4.11Å; F146-C170 HydrophobicContact CZ-CB 4.02Å; F146-F243 HydrophobicContact CE1-CE1 4.02Å; F146-F243 AromaticContact CE1-CZ 3.96Å; F146-F243 HydrophobicContact CE1-CZ 3.96Å; F146-F243 HydrophobicContact CZ-CE1 4.31Å; F146-F243 AromaticContact CZ-CZ 3.8Å; F146-F243 HydrophobicContact CZ-CZ 3.8Å; F146-Y265 HydrophobicContact CD1-CD1 4.13Å; F146-Y265 AromaticContact CD2-CD1 3.78Å; F146-Y265 HydrophobicContact CD2-CD1 3.78Å; F146-Y265 HydrophobicContact CD2-CE1 4.3Å; F146-Y265 HydrophobicContact CE1-CD1 4.16Å; F146-Y265 HydrophobicContact CE1-CG 4.41Å; F146-Y265 AromaticContact CE2-CD1 3.86Å; F146-Y265 HydrophobicContact CE2-CD1 3.86Å; F146-Y265 HydrophobicContact CE2-CE1 4.44Å; F146-Y265 AromaticContact CG-CD1 3.96Å; F146-Y265 HydrophobicContact CG-CD1 3.96Å; F146-Y265 HydrophobicContact CZ-CD1 4.04Å; F146-Y265 HydrophobicContact CZ-CG 4.42Å; F146-K266 VanDerWaalsContact CD1-O 3.25Å; F146-K266 WeakPolarHBondContact CD1-O 3.32Å; F146-K266 VanDerWaalsContact CE1-O 3.31Å; F146-K266 WeakPolarHBondContact CE1-O 3.44Å; F146-F284 HydrophobicContact CB-CD1 3.5Å; F146-F284 VanDerWaalsContact CB-CD1 3.5Å; F146-F284 HydrophobicContact CB-CE1 3.49Å; F146-F284 VanDerWaalsContact CB-CE1 3.49Å; F146-F284 HydrophobicContact CB-CG 4.19Å; F146-F284 HydrophobicContact CB-CZ 4.16Å |
| 147 | P | 88.7 | Confident | 80.7 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 27% | 0.266 | 31% | 0.312 | S | S | . | . | trans | -71.6 | 159.6 | 170.7 | 32.7 | -35.3 | 0 | 0 | 0 | 111.1 | F284 | P147-F284 HydrophobicContact CG-CB 3.51Å; P147-F284 HydrophobicContact CG-CG 4.34Å | ||
| 148 | Q | 88 | Confident | 82.5 | Confident | 68 Ų | 68 | 54.5 Ų | 54.5 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | trans | -56.8 | 123.6 | 174.9 | -67.7 | -60.4 | -39.9 | 0 | 0 | 110.6 | A150 K151 C170 | Q148-A150 PolarHBondContact O-N 2.85Å; Q148-K151 HydrophobicContact CB-CG 4.13Å; Q148-C170 PolarHBondContact NE2-O 2.88Å; Q148-C170 PolarHBondContact OE1-O 2.79Å | ||
| 149 | P | 75.9 | Confident | 83.8 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -31 | -166.4 | 25.7 | -36.3 | 0 | 0 | 0 | 114.3 | M167 Y265 Y285 | P149-M167 WeakPolarHBondContact CB-O 3.44Å; P149-M167 HydrophobicContact CG-CB 4.03Å; P149-M167 HydrophobicContact CG-CE 3.65Å; P149-M167 HydrophobicContact CG-CG 4.05Å; P149-M167 WeakPolarHBondContact CG-O 3.18Å; P149-Y265 HydrophobicContact CB-CE1 4.38Å; P149-Y285 HydrophobicContact CB-CD2 4.47Å; P149-Y285 HydrophobicContact CB-CE2 3.73Å |
| 150 | A | 70.5 | Confident | 84.9 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 66 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q148 L156 K168 | Q148-A150 PolarHBondContact O-N 2.85Å; A150-L156 HydrophobicContact CB-CB 4.17Å; A150-L156 HydrophobicContact CB-CD1 3.92Å; A150-L156 HydrophobicContact CB-CD2 4.35Å; A150-L156 HydrophobicContact CB-CG 4.36Å; A150-K168 HydrophobicContact CB-CG 4.37Å; A150-K168 WeakPolarHBondContact CB-O 3.3Å; A150-K168 PolarHBondContact N-O 2.88Å |
| 151 | K | 69.2 | Low | 85.5 | Confident | 188 Ų | 188 | 46.5 Ų | 46.5 | 82% | 0.817 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -76.7 | -26.5 | 168.4 | -74.5 | -169.5 | 177.1 | -172.7 | 0 | 113.2 | Q148 | Q148-K151 HydrophobicContact CB-CG 4.13Š|
| 152 | D | 80.4 | Confident | 85.6 | Confident | 83 Ų | 83 | 43.3 Ų | 43.3 | 44% | 0.444 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -104.8 | 123 | -178.7 | -179 | -6.4 | 0 | 0 | 0 | 109.6 | D154 A155 L156 | D152-D154 PolarHBondContact OD1-N 2.98Å; D152-A155 HydrophobicContact CB-CB 3.84Å; D152-L156 PolarHBondContact O-N 2.75Å; D152-L156 VanDerWaalsContact O-N 3.14Å |
| 153 | S | 83.4 | Confident | 85.5 | Confident | 55 Ų | 55 | 44.1 Ų | 44.1 | 39% | 0.385 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.7 | -38 | -179.1 | 52 | 0 | 0 | 0 | 0 | 112.4 | A155 L156 I157 | S153-A155 VanDerWaalsContact C-N 3.34Å; S153-L156 WeakPolarHBondContact O-CB 3.34Å; S153-L156 PolarHBondContact O-N 3.03Å; S153-I157 VanDerWaalsContact O-CG1 3.29Å; S153-I157 WeakPolarHBondContact O-CG1 3.44Å; S153-I157 PolarHBondContact O-N 3.04Å |
| 154 | D | 86.2 | Confident | 85.5 | Confident | 100 Ų | 100 | 41.8 Ų | 41.8 | 54% | 0.535 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.1 | -38.1 | -176.3 | -68 | -22.7 | 0 | 0 | 0 | 110.8 | D152 L156 I157 A158 N218 | D152-D154 PolarHBondContact OD1-N 2.98Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 3.21Å; D154-I157 PolarHBondContact O-N 2.9Å; D154-A158 PolarHBondContact O-N 3.4Å; D154-N218 PolarHBondContact OD1-ND2 3.04Å |
| 155 | A | 84.3 | Confident | 85.5 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D152 S153 C159 L288 | D152-A155 HydrophobicContact CB-CB 3.84Å; S153-A155 VanDerWaalsContact C-N 3.34Å; A155-C159 WeakPolarHBondContact O-CB 3.21Å; A155-C159 PolarHBondContact O-N 2.7Å; A155-C159 VanDerWaalsContact O-N 3.07Å; A155-L288 HydrophobicContact CB-CB 3.88Å; A155-L288 HydrophobicContact CB-CD1 3.78Å; A155-L288 HydrophobicContact CB-CD2 4.07Å; A155-L288 HydrophobicContact CB-CG 4.1Å |
| 156 | L | 87.3 | Confident | 85.7 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 171.8 | 177.3 | 63.3 | 0 | 0 | 0 | 111 | A150 D152 S153 D154 C159 L160 Q166 C182 | A150-L156 HydrophobicContact CB-CB 4.17Å; A150-L156 HydrophobicContact CB-CD1 3.92Å; A150-L156 HydrophobicContact CB-CD2 4.35Å; A150-L156 HydrophobicContact CB-CG 4.36Å; D152-L156 PolarHBondContact O-N 2.75Å; D152-L156 VanDerWaalsContact O-N 3.14Å; S153-L156 WeakPolarHBondContact O-CB 3.34Å; S153-L156 PolarHBondContact O-N 3.03Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 3.21Å; L156-C159 PolarHBondContact O-N 3.1Å; L156-L160 HydrophobicContact CD1-CD1 3.99Å; L156-L160 HydrophobicContact CD1-CG 4.14Å; L156-L160 HydrophobicContact CG-CD1 3.91Å; L156-L160 HydrophobicContact CG-CG 4.44Å; L156-L160 WeakPolarHBondContact O-CB 3.34Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.36Å; L156-L160 PolarHBondContact O-N 2.73Å; L156-Q166 HydrophobicContact CD1-CB 4.02Å; L156-Q166 HydrophobicContact CD1-CG 3.72Å; L156-C182 HydrophobicContact CD1-CB 4.29Å |
| 157 | I | 88.6 | Confident | 85.9 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 9% | 0.092 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -49 | 178.6 | -67.2 | -62.4 | 0 | 0 | 0 | 111.3 | S153 D154 C159 L160 Q161 V217 N218 L220 | S153-I157 VanDerWaalsContact O-CG1 3.29Å; S153-I157 WeakPolarHBondContact O-CG1 3.44Å; S153-I157 PolarHBondContact O-N 3.04Å; D154-I157 PolarHBondContact O-N 2.9Å; I157-C159 VanDerWaalsContact C-N 3.28Å; I157-C159 PolarHBondContact O-N 3.14Å; I157-L160 PolarHBondContact O-N 2.7Å; I157-Q161 HydrophobicContact CG2-CG 4.32Å; I157-Q161 WeakPolarHBondContact O-CB 3.46Å; I157-Q161 WeakPolarHBondContact O-CG 3.27Å; I157-Q161 PolarHBondContact O-N 2.88Å; I157-V217 HydrophobicContact CD1-CB 3.85Å; I157-V217 HydrophobicContact CD1-CG1 3.75Å; I157-V217 VanDerWaalsContact CD1-O 3.26Å; I157-V217 WeakPolarHBondContact CD1-O 3.47Å; I157-V217 HydrophobicContact CG1-CG1 4.12Å; I157-N218 HydrophobicContact CG1-CB 4.31Å; I157-L220 HydrophobicContact CD1-CB 3.71Å; I157-L220 HydrophobicContact CD1-CD2 3.67Å; I157-L220 HydrophobicContact CD1-CG 4.33Å; I157-L220 HydrophobicContact CG2-CD2 4.4Å |
| 158 | A | 87.3 | Confident | 86.2 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.6 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D154 Q161 E162 Y291 | D154-A158 PolarHBondContact O-N 3.4Å; A158-Q161 PolarHBondContact O-N 3.18Å; A158-E162 PolarHBondContact O-N 3.07Å; A158-Y291 HydrophobicContact CB-CD1 4.22Å |
| 159 | C | 88.2 | Confident | 86.5 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68 | -41.7 | 178 | -165.4 | 0 | 0 | 0 | 0 | 112.4 | A155 L156 I157 Q161 E162 K163 Q166 | A155-C159 WeakPolarHBondContact O-CB 3.21Å; A155-C159 PolarHBondContact O-N 2.7Å; A155-C159 VanDerWaalsContact O-N 3.07Å; L156-C159 PolarHBondContact O-N 3.1Å; I157-C159 VanDerWaalsContact C-N 3.28Å; I157-C159 PolarHBondContact O-N 3.14Å; C159-Q161 VanDerWaalsContact C-N 3.27Å; C159-Q161 PolarHBondContact O-N 2.8Å; C159-E162 PolarHBondContact O-N 2.89Å; C159-K163 PolarHBondContact O-N 3.42Å; C159-Q166 HydrophobicContact CB-CG 4.24Å; C159-Q166 PolarHBondContact SG-OE1 2.87Å |
| 160 | L | 90.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -34.5 | 175.7 | -71.8 | 172.7 | 0 | 0 | 0 | 111.9 | L156 I157 E162 C164 Q166 C182 L220 V222 | L156-L160 HydrophobicContact CD1-CD1 3.99Å; L156-L160 HydrophobicContact CD1-CG 4.14Å; L156-L160 HydrophobicContact CG-CD1 3.91Å; L156-L160 HydrophobicContact CG-CG 4.44Å; L156-L160 WeakPolarHBondContact O-CB 3.34Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.36Å; L156-L160 PolarHBondContact O-N 2.73Å; I157-L160 PolarHBondContact O-N 2.7Å; L160-E162 PolarHBondContact O-N 2.95Å; L160-C164 WeakPolarHBondContact O-CA 3.48Å; L160-C164 PolarHBondContact O-N 3.44Å; L160-Q166 HydrophobicContact CD2-CB 3.97Å; L160-Q166 HydrophobicContact CG-CB 4.39Å; L160-C182 HydrophobicContact CD1-CB 3.97Å; L160-C182 HydrophobicContact CD2-CB 4.06Å; L160-C182 WeakPolarHBondContact CD2-O 3.47Å; L160-L220 HydrophobicContact CB-CD2 4.05Å; L160-L220 HydrophobicContact CD1-CD2 4.4Å; L160-V222 HydrophobicContact CD1-CG1 3.91Å; L160-V222 HydrophobicContact CD1-CG2 3.82Å |
| 161 | Q | 88.1 | Confident | 88.6 | Confident | 89 Ų | 89 | 40.7 Ų | 40.7 | 42% | 0.416 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.3 | -10.6 | 173.1 | -73.8 | 179.8 | -27.4 | 0 | 0 | 114.3 | I157 A158 C159 L220 F299 | I157-Q161 HydrophobicContact CG2-CG 4.32Å; I157-Q161 WeakPolarHBondContact O-CB 3.46Å; I157-Q161 WeakPolarHBondContact O-CG 3.27Å; I157-Q161 PolarHBondContact O-N 2.88Å; A158-Q161 PolarHBondContact O-N 3.18Å; C159-Q161 VanDerWaalsContact C-N 3.27Å; C159-Q161 PolarHBondContact O-N 2.8Å; Q161-L220 HydrophobicContact CG-CD1 4.25Å; Q161-L220 HydrophobicContact CG-CD2 4.41Å; Q161-F299 VanDerWaalsContact CA-CE2 3.48Å; Q161-F299 VanDerWaalsContact CA-CZ 3.47Å; Q161-F299 HydrophobicContact CB-CE2 4.45Å; Q161-F299 HydrophobicContact CB-CZ 4.26Å; Q161-F299 HydrophobicContact CG-CZ 4.41Å; Q161-F299 WeakPolarHBondContact O-CD2 3.49Å; Q161-F299 WeakPolarHBondContact O-CE2 3.32Å |
| 162 | E | 86.6 | Confident | 89.7 | Confident | 78 Ų | 78 | 34 Ų | 34 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -104.3 | -46.9 | 174.6 | -178 | -177.8 | -147.9 | 0 | 0 | 110.5 | A158 C159 L160 Y291 | A158-E162 PolarHBondContact O-N 3.07Å; C159-E162 PolarHBondContact O-N 2.89Å; L160-E162 PolarHBondContact O-N 2.95Å; E162-Y291 PolarHBondContact OE1-OH 2.89Å; E162-Y291 PolarHBondContact OE2-OH 2.86Å |
| 163 | K | 87.8 | Confident | 90.2 | Very high | 36 Ų | 36 | 32.9 Ų | 32.9 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -111.7 | -8.2 | -166.2 | -58 | -173.6 | -173 | 173.7 | 0 | 114.2 | C159 V165 H256 M261 | C159-K163 PolarHBondContact O-N 3.42Å; K163-V165 PolarHBondContact O-N 3.22Å; K163-H256 WeakPolarHBondContact O-CB 3.34Å; K163-M261 PolarHBondContact NZ-SD 2.69Å |
| 164 | C | 91.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 60.3 | -8.5 | -178 | -55.6 | 0 | 0 | 0 | 0 | 116.4 | L160 V183 F184 H256 | L160-C164 WeakPolarHBondContact O-CA 3.48Å; L160-C164 PolarHBondContact O-N 3.44Å; C164-V183 CarbonylContact O-C 3.45Å; C164-V183 VanDerWaalsContact O-CA 3.25Å; C164-V183 WeakPolarHBondContact O-CA 3.39Å; C164-V183 WeakPolarHBondContact O-CG1 3.39Å; C164-F184 HydrophobicContact CB-CB 4.24Å; C164-F184 PolarHBondContact O-N 2.88Å; C164-H256 HydrophobicContact CB-CB 4.29Å |
| 165 | V | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 136.8 | 176.2 | 59.3 | 0 | 0 | 0 | 0 | 109.4 | K163 V181 C182 V183 F245 H256 D258 | K163-V165 PolarHBondContact O-N 3.22Å; V165-V181 HydrophobicContact CG2-CG2 3.74Å; V165-C182 WeakPolarHBondContact CA-O 3.38Å; V165-V183 HydrophobicContact CB-CG2 4.26Å; V165-V183 HydrophobicContact CG2-CG2 3.97Å; V165-F245 HydrophobicContact CG2-CB 4.24Å; V165-H256 HydrophobicContact CG1-CB 3.78Å; V165-D258 HydrophobicContact CG1-CB 4.13Å; V165-D258 HydrophobicContact CG2-CB 4.45Å |
| 166 | Q | 94.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 129.2 | 178.9 | 176.9 | 54 | 61.5 | 0 | 0 | 109.8 | L156 C159 L160 K168 C182 D258 Y265 Y285 | L156-Q166 HydrophobicContact CD1-CB 4.02Å; L156-Q166 HydrophobicContact CD1-CG 3.72Å; C159-Q166 HydrophobicContact CB-CG 4.24Å; C159-Q166 PolarHBondContact SG-OE1 2.87Å; L160-Q166 HydrophobicContact CD2-CB 3.97Å; L160-Q166 HydrophobicContact CG-CB 4.39Å; Q166-K168 PolarHBondContact O-N 3.22Å; Q166-C182 PolarHBondContact N-O 2.79Å; Q166-C182 PolarHBondContact O-N 2.86Å; Q166-D258 WeakPolarHBondContact CA-OD2 3.38Å; Q166-D258 PolarHBondContact NE2-OD2 3.44Å; Q166-Y265 PolarHBondContact NE2-OH 3.26Å; Q166-Y265 VanDerWaalsContact NE2-OH 3.1Å; Q166-Y285 PolarHBondContact NE2-OH 3.44Å; Q166-Y285 PolarHBondContact OE1-OH 3.13Å |
| 167 | M | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 132 | 171.4 | -170.6 | 171.3 | 68.7 | 0 | 0 | 109.3 | F146 P149 C170 F227 F243 F245 D258 Y265 | F146-M167 HydrophobicContact CD2-CE 4.14Å; F146-M167 HydrophobicContact CE2-CE 3.28Å; F146-M167 HydrophobicContact CZ-CE 3.67Å; P149-M167 WeakPolarHBondContact CB-O 3.44Å; P149-M167 HydrophobicContact CG-CB 4.03Å; P149-M167 HydrophobicContact CG-CE 3.65Å; P149-M167 HydrophobicContact CG-CG 4.05Å; P149-M167 WeakPolarHBondContact CG-O 3.18Å; M167-C170 HydrophobicContact CE-CB 3.88Å; M167-C170 HydrophobicContact SD-CB 3.79Å; M167-F227 HydrophobicContact CG-CE1 4.21Å; M167-F227 HydrophobicContact CG-CZ 4.46Å; M167-F227 HydrophobicContact SD-CE1 4.12Å; M167-F227 HydrophobicContact SD-CZ 3.82Å; M167-F243 HydrophobicContact CE-CE2 4.45Å; M167-F243 HydrophobicContact CE-CZ 4.47Å; M167-F243 HydrophobicContact SD-CE2 3.82Å; M167-F243 HydrophobicContact SD-CZ 4.26Å; M167-F245 HydrophobicContact CB-CD2 4.22Å; M167-F245 HydrophobicContact CB-CE2 3.89Å; M167-F245 HydrophobicContact CG-CE2 3.92Å; M167-F245 HydrophobicContact CG-CZ 4.29Å; M167-F245 HydrophobicContact SD-CE2 3.5Å; M167-F245 VanDerWaalsContact SD-CE2 3.5Å; M167-F245 HydrophobicContact SD-CZ 3.86Å; M167-D258 PolarHBondContact N-OD2 3.49Å; M167-Y265 HydrophobicContact CB-CE2 4.08Å; M167-Y265 WeakPolarHBondContact CB-OH 3.27Å; M167-Y265 HydrophobicContact CE-CD1 3.36Å; M167-Y265 HydrophobicContact CE-CD2 4.12Å; M167-Y265 HydrophobicContact CE-CE1 3.26Å; M167-Y265 HydrophobicContact CE-CE2 4.04Å; M167-Y265 HydrophobicContact CE-CG 3.78Å; M167-Y265 HydrophobicContact SD-CD2 4.48Å; M167-Y265 HydrophobicContact SD-CE2 4.4Å |
| 168 | K | 93.6 | Very high | 91.7 | Very high | 56 Ų | 56 | 34.8 Ų | 34.8 | 24% | 0.243 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -49.8 | -179.1 | 177.1 | -179 | 167 | -162.1 | 0 | 111.1 | A150 Q166 E180 | A150-K168 HydrophobicContact CB-CG 4.37Å; A150-K168 WeakPolarHBondContact CB-O 3.3Å; A150-K168 PolarHBondContact N-O 2.88Å; Q166-K168 PolarHBondContact O-N 3.22Å; K168-E180 HydrophobicContact CB-CB 4.17Å; K168-E180 WeakPolarHBondContact CB-O 3.45Å; K168-E180 HydrophobicContact CD-CB 4.29Å; K168-E180 WeakPolarHBondContact CD-OE2 3.3Å; K168-E180 VanDerWaalsContact CE-OE2 3.32Å; K168-E180 WeakPolarHBondContact CE-OE2 3.32Å; K168-E180 PolarHBondContact N-O 3.31Å; K168-E180 IonicContact NZ-OE2 2.7Å; K168-E180 PolarHBondContact NZ-OE2 2.8Å |
| 169 | S | 94.3 | Very high | 92.2 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 27% | 0.266 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 155.2 | -177.2 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | G179 E180 | S169-G179 VanDerWaalsContact O-CA 3.27Å; S169-G179 WeakPolarHBondContact O-CA 3.46Å; S169-E180 PolarHBondContact N-O 2.81Å; S169-E180 PolarHBondContact O-N 3.41Å; S169-E180 VanDerWaalsContact O-N 3.07Å; S169-E180 PolarHBondContact OG-N 2.79Å |
| 170 | C | 95.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 142.6 | 173.9 | -173 | 0 | 0 | 0 | 0 | 110.3 | L144 F146 Q148 M167 L177 I178 F227 | L144-C170 HydrophobicContact CD1-CB 4.26Å; L144-C170 WeakPolarHBondContact CD1-O 3.35Å; F146-C170 HydrophobicContact CE2-CB 4.11Å; F146-C170 HydrophobicContact CZ-CB 4.02Å; Q148-C170 PolarHBondContact NE2-O 2.88Å; Q148-C170 PolarHBondContact OE1-O 2.79Å; M167-C170 HydrophobicContact CE-CB 3.88Å; M167-C170 HydrophobicContact SD-CB 3.79Å; C170-L177 WeakPolarHBondContact SG-CD1 3.11Å; C170-I178 CarbonylContact C-O 3.58Å; C170-I178 VanDerWaalsContact CA-O 3.3Å; C170-I178 WeakPolarHBondContact CA-O 3.1Å; C170-F227 HydrophobicContact CB-CZ 4.21Å |
| 171 | S | 94.8 | Very high | 92.9 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 164.5 | 172.6 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | L177 I178 | S171-L177 WeakPolarHBondContact O-CA 3.31Å; S171-I178 PolarHBondContact N-O 3.27Å; S171-I178 PolarHBondContact O-N 2.92Å; S171-I178 WeakPolarHBondContact OG-CG1 3.19Å |
| 172 | I | 94 | Very high | 93.2 | Very high | 48 Ų | 48 | 32.1 Ų | 32.1 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124.7 | 174.5 | -61.1 | 171.8 | 0 | 0 | 0 | 107.2 | F142 L144 T176 L177 L231 V267 | F142-I172 HydrophobicContact CB-CD1 3.82Å; F142-I172 HydrophobicContact CB-CG2 4.5Å; L144-I172 HydrophobicContact CD2-CD1 3.87Å; L144-I172 HydrophobicContact CD2-CG1 3.9Å; L144-I172 HydrophobicContact CG-CD1 4.45Å; I172-T176 CarbonylContact C-O 3.6Å; I172-T176 WeakPolarHBondContact CA-O 3.44Å; I172-L177 HydrophobicContact CD1-CD1 4.23Å; I172-L177 HydrophobicContact CG1-CD1 3.6Å; I172-L231 HydrophobicContact CD1-CD1 4.08Å; I172-L231 HydrophobicContact CG1-CD1 4.27Å; I172-L231 HydrophobicContact CG2-CD1 3.8Å; I172-V267 HydrophobicContact CD1-CG1 3.79Å; I172-V267 HydrophobicContact CD1-CG2 4.45Å |
| 173 | S | 90.3 | Very high | 93.5 | Very high | 59 Ų | 59 | 28.4 Ų | 28.4 | 41% | 0.413 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 130.8 | 172.5 | -166.7 | 0 | 0 | 0 | 0 | 108.4 | N175 T176 | S173-N175 VanDerWaalsContact C-N 3.34Å; S173-N175 PolarHBondContact O-N 2.83Å; S173-T176 PolarHBondContact N-O 2.85Å; S173-T176 WeakPolarHBondContact O-CA 3.22Å; S173-T176 VanDerWaalsContact O-CB 3.22Å; S173-T176 WeakPolarHBondContact O-CB 3.25Å; S173-T176 PolarHBondContact O-N 3.39Å |
| 174 | D | 87.8 | Confident | 93.7 | Very high | 144 Ų | 144 | 27.5 Ų | 27.5 | 77% | 0.77 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 52.3 | 175.9 | -52.8 | -46.4 | 0 | 0 | 0 | 113.8 | T176 | D174-T176 PolarHBondContact O-N 2.81Å; D174-T176 PolarHBondContact O-OG1 2.85Å |
| 175 | N | 88.4 | Confident | 93.3 | Very high | 33 Ų | 33 | 29.6 Ų | 29.6 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 25.2 | -176.5 | -73.2 | 62.4 | 0 | 0 | 0 | 114 | P140 S173 L231 | P140-N175 PolarHBondContact O-ND2 2.79Å; P140-N175 VanDerWaalsContact O-ND2 3.13Å; S173-N175 VanDerWaalsContact C-N 3.34Å; S173-N175 PolarHBondContact O-N 2.83Å; N175-L231 WeakPolarHBondContact O-CA 3.29Å; N175-L231 WeakPolarHBondContact O-CB 3.28Å; N175-L231 WeakPolarHBondContact O-CG 3.42Å; N175-L231 PolarHBondContact O-N 2.85Å |
| 176 | T | 93.1 | Very high | 92.4 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 9% | 0.086 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 126.5 | 178.1 | -53.3 | 0 | 0 | 0 | 0 | 108.9 | I172 S173 D174 I178 E228 | I172-T176 CarbonylContact C-O 3.6Å; I172-T176 WeakPolarHBondContact CA-O 3.44Å; S173-T176 PolarHBondContact N-O 2.85Å; S173-T176 WeakPolarHBondContact O-CA 3.22Å; S173-T176 VanDerWaalsContact O-CB 3.22Å; S173-T176 WeakPolarHBondContact O-CB 3.25Å; S173-T176 PolarHBondContact O-N 3.39Å; D174-T176 PolarHBondContact O-N 2.81Å; D174-T176 PolarHBondContact O-OG1 2.85Å; T176-I178 HydrophobicContact CG2-CG2 3.94Å; T176-E228 HydrophobicContact CG2-CG 3.5Å |
| 177 | L | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 122 | 172.3 | -168.7 | 77.5 | 0 | 0 | 0 | 108.3 | L144 C170 S171 I172 M194 F227 E228 A229 L231 F243 V267 | L144-L177 HydrophobicContact CD2-CD1 3.75Å; C170-L177 WeakPolarHBondContact SG-CD1 3.11Å; S171-L177 WeakPolarHBondContact O-CA 3.31Å; I172-L177 HydrophobicContact CD1-CD1 4.23Å; I172-L177 HydrophobicContact CG1-CD1 3.6Å; L177-M194 HydrophobicContact CD2-CE 3.98Å; L177-M194 HydrophobicContact CD2-SD 4.46Å; L177-F227 HydrophobicContact CD2-CE2 4.22Å; L177-F227 HydrophobicContact CG-CE2 4.2Å; L177-E228 CarbonylContact O-C 3.57Å; L177-E228 WeakPolarHBondContact O-CA 3.49Å; L177-A229 HydrophobicContact CB-CB 4.33Å; L177-A229 PolarHBondContact N-O 3.38Å; L177-A229 PolarHBondContact O-N 3.15Å; L177-L231 HydrophobicContact CB-CD2 4.2Å; L177-F243 HydrophobicContact CD2-CD1 4Å; L177-F243 HydrophobicContact CD2-CD2 4.47Å; L177-F243 HydrophobicContact CD2-CE1 3.61Å; L177-F243 HydrophobicContact CD2-CE2 4.1Å; L177-F243 HydrophobicContact CD2-CG 4.42Å; L177-F243 HydrophobicContact CD2-CZ 3.66Å; L177-V267 HydrophobicContact CD1-CG2 3.88Å; L177-V267 HydrophobicContact CD2-CG2 4.44Å |
| 178 | I | 97.1 | Very high | 90 | Very high | 46 Ų | 46 | 36 Ų | 36 | 24% | 0.236 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 157.7 | 179.2 | 60.7 | 176.4 | 0 | 0 | 0 | 110.4 | C170 S171 T176 F226 F227 E228 | C170-I178 CarbonylContact C-O 3.58Å; C170-I178 VanDerWaalsContact CA-O 3.3Å; C170-I178 WeakPolarHBondContact CA-O 3.1Å; S171-I178 PolarHBondContact N-O 3.27Å; S171-I178 PolarHBondContact O-N 2.92Å; S171-I178 WeakPolarHBondContact OG-CG1 3.19Å; T176-I178 HydrophobicContact CG2-CG2 3.94Å; I178-F226 HydrophobicContact CB-CE2 4.15Å; I178-F226 HydrophobicContact CB-CZ 4.02Å; I178-F226 HydrophobicContact CG2-CZ 4.03Å; I178-F227 WeakPolarHBondContact CA-O 3.45Å; I178-E228 HydrophobicContact CG2-CB 4.32Å; I178-E228 HydrophobicContact CG2-CG 4Å |
| 179 | G | 96.6 | Very high | 89.1 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | -174.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S169 F226 F227 | S169-G179 VanDerWaalsContact O-CA 3.27Å; S169-G179 WeakPolarHBondContact O-CA 3.46Å; G179-F226 WeakPolarHBondContact O-CA 3.3Å; G179-F226 VanDerWaalsContact O-CD2 3.27Å; G179-F226 WeakPolarHBondContact O-CD2 3.32Å; G179-F227 VanDerWaalsContact CA-CE1 3.49Å; G179-F227 VanDerWaalsContact CA-CZ 3.46Å; G179-F227 PolarHBondContact N-O 2.94Å; G179-F227 VanDerWaalsContact O-CD1 3.32Å; G179-F227 WeakPolarHBondContact O-CD1 3.43Å; G179-F227 PolarHBondContact O-N 3.13Å |
| 180 | E | 96.8 | Very high | 88.6 | Confident | 50 Ų | 50 | 38 Ų | 38 | 23% | 0.234 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 141.4 | 179 | -67.3 | 177.1 | -170.7 | 0 | 0 | 110.7 | K168 S169 L212 V224 F225 | K168-E180 HydrophobicContact CB-CB 4.17Å; K168-E180 WeakPolarHBondContact CB-O 3.45Å; K168-E180 HydrophobicContact CD-CB 4.29Å; K168-E180 WeakPolarHBondContact CD-OE2 3.3Å; K168-E180 VanDerWaalsContact CE-OE2 3.32Å; K168-E180 WeakPolarHBondContact CE-OE2 3.32Å; K168-E180 PolarHBondContact N-O 3.31Å; K168-E180 IonicContact NZ-OE2 2.7Å; K168-E180 PolarHBondContact NZ-OE2 2.8Å; S169-E180 PolarHBondContact N-O 2.81Å; S169-E180 PolarHBondContact O-N 3.41Å; S169-E180 VanDerWaalsContact O-N 3.07Å; S169-E180 PolarHBondContact OG-N 2.79Å; E180-L212 HydrophobicContact CG-CD1 4.39Å; E180-V224 HydrophobicContact CB-CG1 4.14Å; E180-V224 HydrophobicContact CG-CG1 4.16Å; E180-F225 CarbonylContact C-O 3.49Å; E180-F225 VanDerWaalsContact CA-O 3.3Å; E180-F225 WeakPolarHBondContact CA-O 3.43Å |
| 181 | V | 95.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.4 | 170.8 | 61.3 | 0 | 0 | 0 | 0 | 108.9 | V165 V192 C209 F225 F245 | V165-V181 HydrophobicContact CG2-CG2 3.74Å; V181-V192 HydrophobicContact CG1-CG1 3.8Å; V181-V192 HydrophobicContact CG2-CG1 4.48Å; V181-C209 HydrophobicContact CG1-CB 4.4Å; V181-F225 HydrophobicContact CG1-CB 3.71Å; V181-F225 PolarHBondContact N-O 3.27Å; V181-F225 PolarHBondContact O-N 3.26Å; V181-F245 HydrophobicContact CB-CD1 4.15Å; V181-F245 HydrophobicContact CB-CE1 4.22Å; V181-F245 HydrophobicContact CG1-CD1 4.15Å; V181-F245 HydrophobicContact CG1-CE1 4.28Å; V181-F245 HydrophobicContact CG2-CB 4.33Å; V181-F245 HydrophobicContact CG2-CD1 4.06Å; V181-F245 HydrophobicContact CG2-CG 4.04Å |
| 182 | C | 94.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 141.9 | 177.3 | -73.8 | 0 | 0 | 0 | 0 | 110 | L156 L160 V165 Q166 V222 D223 | L156-C182 HydrophobicContact CD1-CB 4.29Å; L160-C182 HydrophobicContact CD1-CB 3.97Å; L160-C182 HydrophobicContact CD2-CB 4.06Å; L160-C182 WeakPolarHBondContact CD2-O 3.47Å; V165-C182 WeakPolarHBondContact CA-O 3.38Å; Q166-C182 PolarHBondContact N-O 2.79Å; Q166-C182 PolarHBondContact O-N 2.86Å; C182-V222 HydrophobicContact CB-CG1 3.58Å; C182-D223 CarbonylContact C-O 3.24Å; C182-D223 WeakPolarHBondContact CA-O 3.28Å |
| 183 | V | 93.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136 | 173.6 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | C164 V165 H185 V192 V222 D223 F225 S247 | C164-V183 CarbonylContact O-C 3.45Å; C164-V183 VanDerWaalsContact O-CA 3.25Å; C164-V183 WeakPolarHBondContact O-CA 3.39Å; C164-V183 WeakPolarHBondContact O-CG1 3.39Å; V165-V183 HydrophobicContact CB-CG2 4.26Å; V165-V183 HydrophobicContact CG2-CG2 3.97Å; V183-H185 PolarHBondContact O-N 3.4Å; V183-V192 HydrophobicContact CG2-CG2 3.47Å; V183-V192 VanDerWaalsContact CG2-CG2 3.47Å; V183-V222 CarbonylContact O-C 3.54Å; V183-V222 WeakPolarHBondContact O-CA 3.21Å; V183-V222 WeakPolarHBondContact O-CG1 3.45Å; V183-D223 HydrophobicContact CB-CB 4.5Å; V183-D223 PolarHBondContact N-O 3.48Å; V183-D223 PolarHBondContact O-N 3.06Å; V183-F225 HydrophobicContact CB-CE2 4.13Å; V183-F225 HydrophobicContact CG2-CD2 4.11Å; V183-F225 HydrophobicContact CG2-CE2 4.01Å; V183-S247 WeakPolarHBondContact CG1-OG 3.44Å |
| 184 | F | 91.1 | Very high | 88.8 | Confident | 17 Ų | 17 | 36 Ų | 36 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 122.7 | 172 | 174.4 | -120.2 | 0 | 0 | 0 | 109.3 | C164 S186 L220 F299 Y302 L303 | C164-F184 HydrophobicContact CB-CB 4.24Å; C164-F184 PolarHBondContact O-N 2.88Å; F184-S186 PolarHBondContact O-N 2.9Å; F184-L220 HydrophobicContact CD2-CD1 3.65Å; F184-L220 HydrophobicContact CD2-CD2 3.81Å; F184-L220 HydrophobicContact CD2-CG 3.66Å; F184-L220 HydrophobicContact CE2-CD1 3.31Å; F184-L220 HydrophobicContact CE2-CD2 4.36Å; F184-L220 HydrophobicContact CE2-CG 3.76Å; F184-L220 HydrophobicContact CZ-CD1 4.36Å; F184-F299 HydrophobicContact CD1-CE1 4.24Å; F184-F299 AromaticContact CD1-CZ 3.7Å; F184-F299 HydrophobicContact CD1-CZ 3.7Å; F184-F299 AromaticContact CE1-CE1 3.77Å; F184-F299 HydrophobicContact CE1-CE1 3.77Å; F184-F299 AromaticContact CE1-CZ 3.72Å; F184-F299 HydrophobicContact CE1-CZ 3.72Å; F184-F299 HydrophobicContact CG-CZ 4.18Å; F184-F299 AromaticContact CZ-CE1 3.95Å; F184-F299 HydrophobicContact CZ-CE1 3.95Å; F184-F299 HydrophobicContact CZ-CZ 4.21Å; F184-Y302 HydrophobicContact CD1-CD1 4.47Å; F184-Y302 AromaticContact CD1-CE1 3.81Å; F184-Y302 HydrophobicContact CD1-CE1 3.81Å; F184-Y302 HydrophobicContact CE1-CD1 4.34Å; F184-Y302 AromaticContact CE1-CE1 3.97Å; F184-Y302 HydrophobicContact CE1-CE1 3.97Å; F184-L303 HydrophobicContact CE1-CD2 3.98Å; F184-L303 HydrophobicContact CZ-CD2 4.03Å |
| 185 | H | 83.7 | Confident | 89.3 | Confident | 47 Ų | 47 | 31.5 Ų | 31.5 | 22% | 0.218 | 17% | 0.17 | C | C | . | . | trans | -72.6 | 96.8 | -176 | -175.4 | 87.7 | 0 | 0 | 0 | 109.9 | V183 Q214 D221 D223 | V183-H185 PolarHBondContact O-N 3.4Å; H185-Q214 PolarHBondContact CE1-OE1 3.24Å; H185-Q214 PolarHBondContact ND1-OE1 2.86Å; H185-D221 HydrophobicContact CB-CB 3.77Å; H185-D221 VanDerWaalsContact CB-O 3.28Å; H185-D221 WeakPolarHBondContact CB-O 3.47Å; H185-D221 PolarHBondContact N-O 3.37Å; H185-D223 IonicContact CE1-OD1 3.73Å; H185-D223 IonicContact CE1-OD2 3.84Å; H185-D223 IonicContact CG-OD1 3.71Å; H185-D223 IonicContact CG-OD2 3.76Å; H185-D223 IonicContact ND1-OD1 2.8Å; H185-D223 PolarHBondContact ND1-OD1 3.37Å; H185-D223 IonicContact ND1-OD2 2.91Å; H185-D223 PolarHBondContact ND1-OD2 3.1Å | ||
| 186 | S | 74.7 | Confident | 89.6 | Confident | 16 Ų | 16 | 30 Ų | 30 | 11% | 0.112 | 16% | 0.161 | C | C | . | . | trans | -118.5 | -22.9 | 179.2 | 67.7 | 0 | 0 | 0 | 0 | 113 | F184 Y302 C306 | F184-S186 PolarHBondContact O-N 2.9Å; S186-Y302 WeakPolarHBondContact CB-OH 3.32Å; S186-Y302 PolarHBondContact OG-OH 3.46Å; S186-C306 WeakPolarHBondContact O-CB 3.31Å | ||
| 187 | C | 69.3 | Low | 89.6 | Confident | 19 Ų | 19 | 29.3 Ų | 29.3 | 13% | 0.128 | 16% | 0.157 | C | C | . | . | trans | -144.1 | 132.2 | -179.2 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | K189 S190 P249 | C187-K189 PolarHBondContact O-N 2.79Å; C187-S190 PolarHBondContact O-N 3.1Å; C187-S190 PolarHBondContact O-OG 3.27Å; C187-P249 HydrophobicContact CB-CB 3.68Å | ||
| 188 | P | 68.1 | Low | 89.3 | Confident | 101 Ų | 101 | 31.5 Ų | 31.5 | 66% | 0.656 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -16.9 | 177.7 | -24.2 | 33.5 | 0 | 0 | 0 | 115 | ||
| 189 | K | 76.4 | Confident | 88.9 | Confident | 124 Ų | 124 | 31.1 Ų | 31.1 | 54% | 0.539 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 40.5 | -177.6 | -67.4 | 179.5 | 177 | 169.8 | 0 | 111.6 | C187 G250 H313 | C187-K189 PolarHBondContact O-N 2.79Å; K189-G250 WeakPolarHBondContact O-CA 3.42Å; K189-G250 PolarHBondContact O-N 2.94Å; K189-H313 PolarHBondContact NZ-NE2 2.9Å |
| 190 | S | 82.7 | Confident | 88.4 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 130.7 | 176 | -61.4 | 0 | 0 | 0 | 0 | 110.3 | C187 S248 | C187-S190 PolarHBondContact O-N 3.1Å; C187-S190 PolarHBondContact O-OG 3.27Å; S190-S248 WeakPolarHBondContact CA-O 3.32Å |
| 191 | T | 90.4 | Very high | 88 | Confident | 72 Ų | 72 | 35.4 Ų | 35.4 | 44% | 0.442 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 133.2 | 174.4 | 57.8 | 0 | 0 | 0 | 0 | 109.7 | S247 S248 | T191-S247 WeakPolarHBondContact O-CA 3.48Å; T191-S248 PolarHBondContact N-O 3.43Å; T191-S248 PolarHBondContact O-N 2.82Å; T191-S248 PolarHBondContact OG1-O 3.29Å; T191-S248 PolarHBondContact OG1-OG 2.61Å |
| 192 | V | 95.2 | Very high | 87.6 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.3 | 179.5 | -172.4 | 0 | 0 | 0 | 0 | 109.6 | V181 V183 C209 F225 F245 T246 | V181-V192 HydrophobicContact CG1-CG1 3.8Å; V181-V192 HydrophobicContact CG2-CG1 4.48Å; V183-V192 HydrophobicContact CG2-CG2 3.47Å; V183-V192 VanDerWaalsContact CG2-CG2 3.47Å; V192-C209 HydrophobicContact CB-CB 3.97Å; V192-C209 HydrophobicContact CG1-CB 4.1Å; V192-C209 WeakPolarHBondContact O-CB 3.23Å; V192-C209 PolarHBondContact O-N 2.91Å; V192-F225 HydrophobicContact CB-CD1 4.15Å; V192-F225 HydrophobicContact CB-CD2 4.4Å; V192-F225 HydrophobicContact CB-CE1 4.44Å; V192-F225 HydrophobicContact CB-CG 4.15Å; V192-F225 HydrophobicContact CG2-CD1 3.97Å; V192-F225 HydrophobicContact CG2-CD2 3.62Å; V192-F225 HydrophobicContact CG2-CE1 3.93Å; V192-F225 HydrophobicContact CG2-CE2 3.57Å; V192-F225 HydrophobicContact CG2-CG 3.84Å; V192-F225 HydrophobicContact CG2-CZ 3.75Å; V192-F245 HydrophobicContact CG1-CD1 4.48Å; V192-T246 WeakPolarHBondContact CA-O 3.45Å |
| 193 | N | 96.4 | Very high | 87.3 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134 | 178.1 | -65.2 | -76.8 | 0 | 0 | 0 | 110 | I207 F245 T246 | N193-I207 CarbonylContact C-O 3.55Å; N193-I207 WeakPolarHBondContact CA-O 3.5Å; N193-F245 WeakPolarHBondContact O-CA 3.37Å; N193-T246 PolarHBondContact N-O 3.2Å; N193-T246 PolarHBondContact O-N 2.97Å; N193-T246 PolarHBondContact O-OG1 2.8Å |
| 194 | M | 97.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129.9 | 165.2 | 179.3 | 178.6 | 132.1 | 0 | 0 | 109 | L177 M196 N206 I207 F227 A229 F243 C244 F245 | L177-M194 HydrophobicContact CD2-CE 3.98Å; L177-M194 HydrophobicContact CD2-SD 4.46Å; M194-M196 HydrophobicContact CE-CB 3.78Å; M194-M196 HydrophobicContact CE-CE 4.37Å; M194-M196 HydrophobicContact CE-CG 3.91Å; M194-M196 HydrophobicContact CE-SD 3.38Å; M194-M196 WeakPolarHBondContact CE-SD 3.42Å; M194-N206 CarbonylContact O-C 3.54Å; M194-N206 WeakPolarHBondContact O-CA 3.44Å; M194-I207 HydrophobicContact CB-CB 4.25Å; M194-I207 HydrophobicContact CE-CD1 3.88Å; M194-I207 PolarHBondContact N-O 3.38Å; M194-I207 PolarHBondContact O-N 3.11Å; M194-F227 HydrophobicContact SD-CB 4.49Å; M194-F227 HydrophobicContact SD-CD2 3.65Å; M194-F227 HydrophobicContact SD-CE2 4.14Å; M194-F227 HydrophobicContact SD-CG 4.22Å; M194-A229 HydrophobicContact CE-CB 3.41Å; M194-A229 VanDerWaalsContact CE-CB 3.41Å; M194-A229 HydrophobicContact SD-CB 4.27Å; M194-F243 HydrophobicContact CE-CB 4.01Å; M194-F243 HydrophobicContact CE-CD2 4.25Å; M194-F243 HydrophobicContact CE-CG 4.14Å; M194-F243 HydrophobicContact CG-CB 4.26Å; M194-F243 HydrophobicContact CG-CD2 4.14Å; M194-F243 HydrophobicContact SD-CD2 4Å; M194-F243 HydrophobicContact SD-CG 4.47Å; M194-C244 WeakPolarHBondContact CA-O 3.28Å; M194-F245 HydrophobicContact CB-CD1 3.99Å; M194-F245 HydrophobicContact CB-CE1 3.73Å; M194-F245 HydrophobicContact CB-CZ 4.47Å; M194-F245 HydrophobicContact CG-CD1 4.46Å; M194-F245 HydrophobicContact CG-CE1 3.98Å; M194-F245 HydrophobicContact CG-CZ 4.22Å; M194-F245 HydrophobicContact SD-CE1 4.27Å; M194-F245 HydrophobicContact SD-CZ 4.23Å |
| 195 | K | 96.8 | Very high | 87.3 | Confident | 50 Ų | 50 | 53 Ų | 53 | 22% | 0.217 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.3 | 177.1 | -81.7 | -170.6 | -178.1 | -173.2 | 0 | 108 | W201 L204 N206 F243 C244 T246 | K195-W201 HydrophobicContact CB-CZ3 4.29Å; K195-L204 HydrophobicContact CB-CD1 3.77Å; K195-L204 HydrophobicContact CD-CD1 4.48Å; K195-L204 HydrophobicContact CD-CD2 4.14Å; K195-L204 HydrophobicContact CG-CD1 4.14Å; K195-L204 HydrophobicContact CG-CD2 4.29Å; K195-N206 WeakPolarHBondContact CG-OD1 3.43Å; K195-F243 CarbonylContact O-C 3.52Å; K195-F243 WeakPolarHBondContact O-CA 3.5Å; K195-F243 VanDerWaalsContact O-CB 3.22Å; K195-F243 WeakPolarHBondContact O-CB 3.13Å; K195-C244 PolarHBondContact N-O 3.35Å; K195-C244 PolarHBondContact O-N 2.7Å; K195-T246 HydrophobicContact CD-CG2 4.03Å |
| 196 | M | 95.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.9 | -172.6 | -171.2 | 177.5 | -166.1 | 0 | 0 | 112 | M194 F198 K205 I207 A229 L231 I241 E242 F243 | M194-M196 HydrophobicContact CE-CB 3.78Å; M194-M196 HydrophobicContact CE-CE 4.37Å; M194-M196 HydrophobicContact CE-CG 3.91Å; M194-M196 HydrophobicContact CE-SD 3.38Å; M194-M196 WeakPolarHBondContact CE-SD 3.42Å; M196-F198 HydrophobicContact CE-CD1 4.47Å; M196-F198 HydrophobicContact CE-CE1 3.43Å; M196-F198 VanDerWaalsContact CE-CE1 3.43Å; M196-F198 HydrophobicContact CE-CZ 3.7Å; M196-F198 HydrophobicContact CG-CE1 4.41Å; M196-F198 HydrophobicContact CG-CZ 4.14Å; M196-F198 HydrophobicContact SD-CE1 4.11Å; M196-F198 HydrophobicContact SD-CZ 3.74Å; M196-K205 PolarHBondContact N-O 2.94Å; M196-K205 PolarHBondContact O-N 2.97Å; M196-I207 HydrophobicContact CB-CD1 4.16Å; M196-I207 HydrophobicContact SD-CD1 4.16Å; M196-A229 HydrophobicContact SD-CB 3.97Å; M196-L231 HydrophobicContact CE-CD2 3.73Å; M196-I241 HydrophobicContact CE-CG2 3.34Å; M196-E242 WeakPolarHBondContact CA-O 3.41Å; M196-F243 HydrophobicContact CB-CB 4.16Å; M196-F243 HydrophobicContact CG-CB 4.19Å |
| 197 | T | 93.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 156 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | D199 W201 T203 I241 E242 | T197-D199 PolarHBondContact OG1-N 3.32Å; T197-D199 PolarHBondContact OG1-OD1 3.14Å; T197-W201 HydrophobicContact CG2-CD2 3.68Å; T197-W201 HydrophobicContact CG2-CE3 4.19Å; T197-W201 HydrophobicContact CG2-CG 3.86Å; T197-W201 HydrophobicContact CG2-CZ2 4.13Å; T197-W201 WeakPolarHBondContact OG1-CA 3.5Å; T197-W201 PolarHBondContact OG1-N 3.49Å; T197-T203 WeakPolarHBondContact CB-O 3.25Å; T197-T203 PolarHBondContact OG1-O 3Å; T197-I241 WeakPolarHBondContact O-CA 3.03Å; T197-E242 HydrophobicContact CG2-CB 3.93Å; T197-E242 PolarHBondContact N-O 2.99Å; T197-E242 PolarHBondContact O-N 3.02Å; T197-E242 VanDerWaalsContact O-N 3.1Å |
| 198 | F | 90.5 | Very high | 90.2 | Very high | 47 Ų | 47 | 57 Ų | 57 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -121 | -0.3 | 175.3 | -53.3 | -74.9 | 0 | 0 | 0 | 112.5 | M196 P232 R240 I241 | M196-F198 HydrophobicContact CE-CD1 4.47Å; M196-F198 HydrophobicContact CE-CE1 3.43Å; M196-F198 VanDerWaalsContact CE-CE1 3.43Å; M196-F198 HydrophobicContact CE-CZ 3.7Å; M196-F198 HydrophobicContact CG-CE1 4.41Å; M196-F198 HydrophobicContact CG-CZ 4.14Å; M196-F198 HydrophobicContact SD-CE1 4.11Å; M196-F198 HydrophobicContact SD-CZ 3.74Å; F198-P232 HydrophobicContact CD1-CG 3.78Å; F198-P232 HydrophobicContact CE1-CG 3.86Å; F198-R240 CarbonylContact C-O 3.47Å; F198-R240 VanDerWaalsContact C-O 3.24Å; F198-R240 WeakPolarHBondContact CA-O 3.3Å; F198-I241 HydrophobicContact CD1-CB 4.39Å; F198-I241 HydrophobicContact CD1-CD1 4.14Å; F198-I241 HydrophobicContact CD1-CG1 3.95Å; F198-I241 HydrophobicContact CD1-CG2 3.95Å; F198-I241 HydrophobicContact CE1-CD1 4.35Å; F198-I241 HydrophobicContact CE1-CG2 3.9Å |
| 199 | D | 86.8 | Confident | 91.6 | Very high | 38 Ų | 38 | 52.9 Ų | 52.9 | 20% | 0.203 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -143.4 | 41.9 | -164.7 | 62.9 | -4.5 | 0 | 0 | 0 | 111.7 | T197 W201 I202 T203 | T197-D199 PolarHBondContact OG1-N 3.32Å; T197-D199 PolarHBondContact OG1-OD1 3.14Å; D199-W201 VanDerWaalsContact C-N 3.33Å; D199-W201 PolarHBondContact O-N 3.29Å; D199-I202 WeakPolarHBondContact O-CD1 3.11Å; D199-I202 VanDerWaalsContact O-CG1 3.28Å; D199-I202 WeakPolarHBondContact O-CG1 3.12Å; D199-I202 PolarHBondContact O-N 3.23Å; D199-I202 PolarHBondContact OD1-N 3.49Å; D199-T203 PolarHBondContact OD1-N 3.07Å; D199-T203 PolarHBondContact OD1-OG1 2.74Å; D199-T203 VanDerWaalsContact OD1-OG1 3.1Å; D199-T203 VanDerWaalsContact OD2-CB 3.3Å; D199-T203 WeakPolarHBondContact OD2-CB 3.18Å; D199-T203 VanDerWaalsContact OD2-CG2 3.25Å; D199-T203 WeakPolarHBondContact OD2-CG2 3.49Å; D199-T203 PolarHBondContact OD2-N 3.4Å; D199-T203 VanDerWaalsContact OD2-N 3.14Å; D199-T203 PolarHBondContact OD2-OG1 3.46Å |
| 200 | S | 87.3 | Confident | 92.5 | Very high | 58 Ų | 58 | 53.4 Ų | 53.4 | 41% | 0.406 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 41.9 | 174.7 | -56.7 | 0 | 0 | 0 | 0 | 113.8 | I202 | S200-I202 VanDerWaalsContact C-N 3.3Å; S200-I202 PolarHBondContact O-N 3.34Å |
| 201 | W | 88.6 | Confident | 93.1 | Very high | 87 Ų | 87 | 58.1 Ų | 58.1 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 17.1 | 177.9 | -57.2 | 86.1 | 0 | 0 | 0 | 115.7 | K195 T197 D199 L204 E242 C244 N264 | K195-W201 HydrophobicContact CB-CZ3 4.29Å; T197-W201 HydrophobicContact CG2-CD2 3.68Å; T197-W201 HydrophobicContact CG2-CE3 4.19Å; T197-W201 HydrophobicContact CG2-CG 3.86Å; T197-W201 HydrophobicContact CG2-CZ2 4.13Å; T197-W201 WeakPolarHBondContact OG1-CA 3.5Å; T197-W201 PolarHBondContact OG1-N 3.49Å; D199-W201 VanDerWaalsContact C-N 3.33Å; D199-W201 PolarHBondContact O-N 3.29Å; W201-L204 HydrophobicContact CE3-CD1 4.05Å; W201-L204 HydrophobicContact CZ3-CD1 3.71Å; W201-E242 HydrophobicContact CZ2-CB 4.11Å; W201-E242 PolarHBondContact NE1-OE2 3.44Å; W201-C244 HydrophobicContact CH2-CB 4.35Å; W201-C244 VanDerWaalsContact CH2-SG 3.56Å; W201-N264 HydrophobicContact CZ2-CB 4.21Å; W201-N264 VanDerWaalsContact CZ2-CG 3.5Å; W201-N264 VanDerWaalsContact CZ2-ND2 3.32Å; W201-N264 WeakPolarHBondContact CZ2-ND2 3.33Å; W201-N264 PolarHBondContact NE1-ND2 3.24Å |
| 202 | I | 87.3 | Confident | 93.3 | Very high | 143 Ų | 143 | 58.7 Ų | 58.7 | 73% | 0.733 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -70.6 | -48.3 | 170.6 | -62.6 | 169.9 | 0 | 0 | 0 | 109.7 | D199 S200 | D199-I202 WeakPolarHBondContact O-CD1 3.11Å; D199-I202 VanDerWaalsContact O-CG1 3.28Å; D199-I202 WeakPolarHBondContact O-CG1 3.12Å; D199-I202 PolarHBondContact O-N 3.23Å; D199-I202 PolarHBondContact OD1-N 3.49Å; S200-I202 VanDerWaalsContact C-N 3.3Å; S200-I202 PolarHBondContact O-N 3.34Å |
| 203 | T | 88.3 | Confident | 93.3 | Very high | 79 Ų | 79 | 62 Ų | 62 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -110.7 | 143.7 | 171.8 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | T197 D199 | T197-T203 WeakPolarHBondContact CB-O 3.25Å; T197-T203 PolarHBondContact OG1-O 3Å; D199-T203 PolarHBondContact OD1-N 3.07Å; D199-T203 PolarHBondContact OD1-OG1 2.74Å; D199-T203 VanDerWaalsContact OD1-OG1 3.1Å; D199-T203 VanDerWaalsContact OD2-CB 3.3Å; D199-T203 WeakPolarHBondContact OD2-CB 3.18Å; D199-T203 VanDerWaalsContact OD2-CG2 3.25Å; D199-T203 WeakPolarHBondContact OD2-CG2 3.49Å; D199-T203 PolarHBondContact OD2-N 3.4Å; D199-T203 VanDerWaalsContact OD2-N 3.14Å; D199-T203 PolarHBondContact OD2-OG1 3.46Å |
| 204 | L | 91.4 | Very high | 93.1 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | trans | -125.7 | 125.8 | -177.3 | -178.7 | 70.6 | 0 | 0 | 0 | 110.5 | K195 W201 | K195-L204 HydrophobicContact CB-CD1 3.77Å; K195-L204 HydrophobicContact CD-CD1 4.48Å; K195-L204 HydrophobicContact CD-CD2 4.14Å; K195-L204 HydrophobicContact CG-CD1 4.14Å; K195-L204 HydrophobicContact CG-CD2 4.29Å; W201-L204 HydrophobicContact CE3-CD1 4.05Å; W201-L204 HydrophobicContact CZ3-CD1 3.71Å | ||
| 205 | K | 93.5 | Very high | 92.8 | Very high | 86 Ų | 86 | 69.1 Ų | 69.1 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.5 | 168.1 | -168.4 | 179 | 175.6 | -178.4 | 0 | 109.4 | M196 I207 | M196-K205 PolarHBondContact N-O 2.94Å; M196-K205 PolarHBondContact O-N 2.97Å; K205-I207 HydrophobicContact CD-CD1 4.06Å; K205-I207 HydrophobicContact CD-CG1 4.18Å; K205-I207 HydrophobicContact CG-CD1 4.22Å; K205-I207 HydrophobicContact CG-CG1 4.01Å |
| 206 | N | 95.6 | Very high | 92.5 | Very high | 96 Ų | 96 | 75.2 Ų | 75.2 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 125.8 | 171.2 | -66.4 | -41.5 | 0 | 0 | 0 | 109.1 | M194 K195 | M194-N206 CarbonylContact O-C 3.54Å; M194-N206 WeakPolarHBondContact O-CA 3.44Å; K195-N206 WeakPolarHBondContact CG-OD1 3.43Å |
| 207 | I | 96.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 76.5 Ų | 76.5 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 114.6 | -176.9 | -63.3 | 155.6 | 0 | 0 | 0 | 107.7 | N193 M194 M196 K205 C209 E228 A229 | N193-I207 CarbonylContact C-O 3.55Å; N193-I207 WeakPolarHBondContact CA-O 3.5Å; M194-I207 HydrophobicContact CB-CB 4.25Å; M194-I207 HydrophobicContact CE-CD1 3.88Å; M194-I207 PolarHBondContact N-O 3.38Å; M194-I207 PolarHBondContact O-N 3.11Å; M196-I207 HydrophobicContact CB-CD1 4.16Å; M196-I207 HydrophobicContact SD-CD1 4.16Å; K205-I207 HydrophobicContact CD-CD1 4.06Å; K205-I207 HydrophobicContact CD-CG1 4.18Å; K205-I207 HydrophobicContact CG-CD1 4.22Å; K205-I207 HydrophobicContact CG-CG1 4.01Å; I207-C209 PolarHBondContact O-N 2.8Å; I207-E228 WeakPolarHBondContact CG2-O 3.26Å; I207-A229 HydrophobicContact CD1-CB 3.63Å |
| 208 | P | 96.1 | Very high | 91.6 | Very high | 68 Ų | 68 | 81.6 Ų | 81.6 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 134.1 | 179.8 | 28.2 | -33.2 | 0 | 0 | 0 | 110.4 | ||
| 209 | C | 97.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 81.6 Ų | 81.6 | 9% | 0.088 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 138.8 | 172.7 | -51.9 | 0 | 0 | 0 | 0 | 109.1 | V181 V192 I207 F225 F226 F227 | V181-C209 HydrophobicContact CG1-CB 4.4Å; V192-C209 HydrophobicContact CB-CB 3.97Å; V192-C209 HydrophobicContact CG1-CB 4.1Å; V192-C209 WeakPolarHBondContact O-CB 3.23Å; V192-C209 PolarHBondContact O-N 2.91Å; I207-C209 PolarHBondContact O-N 2.8Å; C209-F225 HydrophobicContact CB-CB 3.79Å; C209-F225 HydrophobicContact CB-CD1 4.43Å; C209-F225 HydrophobicContact CB-CG 4.48Å; C209-F226 CarbonylContact C-O 3.53Å; C209-F226 VanDerWaalsContact CA-O 3.25Å; C209-F226 WeakPolarHBondContact CA-O 3.25Å; C209-F226 WeakPolarHBondContact CB-O 3.43Å; C209-F227 HydrophobicContact CB-CB 4.45Å |
| 210 | K | 96.3 | Very high | 91.3 | Very high | 135 Ų | 135 | 80.7 Ų | 80.7 | 59% | 0.587 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 127.9 | -178.5 | -63.2 | 174.8 | -176.2 | 168.4 | 0 | 109.2 | L212 F225 F226 | K210-L212 PolarHBondContact O-N 3.17Å; K210-F225 CarbonylContact O-C 3.53Å; K210-F225 WeakPolarHBondContact O-CA 3.3Å; K210-F226 PolarHBondContact N-O 2.82Å; K210-F226 PolarHBondContact O-N 2.88Å |
| 211 | F | 95.2 | Very high | 91.5 | Very high | 112 Ų | 112 | 81 Ų | 81 | 49% | 0.491 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 131.6 | 171.3 | 177.1 | -99.7 | 0 | 0 | 0 | 109.7 | Q214 D223 F225 | F211-Q214 HydrophobicContact CZ-CB 4.24Å; F211-D223 HydrophobicContact CD2-CB 4.36Å; F211-D223 HydrophobicContact CE2-CB 3.99Å; F211-F225 HydrophobicContact CB-CD1 3.99Å; F211-F225 HydrophobicContact CB-CE1 3.8Å; F211-F225 HydrophobicContact CB-CZ 4.5Å; F211-F225 HydrophobicContact CD2-CE1 4.13Å; F211-F225 HydrophobicContact CD2-CE2 4.35Å; F211-F225 AromaticContact CD2-CZ 3.99Å; F211-F225 HydrophobicContact CD2-CZ 3.99Å; F211-F225 HydrophobicContact CG-CE1 4.48Å |
| 212 | L | 94.8 | Very high | 91.7 | Very high | 84 Ų | 84 | 77 Ų | 77 | 44% | 0.44 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -60.3 | 175.8 | -70.5 | -176.4 | 0 | 0 | 0 | 110.8 | E180 K210 V224 F226 | E180-L212 HydrophobicContact CG-CD1 4.39Å; K210-L212 PolarHBondContact O-N 3.17Å; L212-V224 WeakPolarHBondContact CB-O 3.47Å; L212-V224 HydrophobicContact CD1-CG1 4.3Å; L212-V224 PolarHBondContact N-O 2.85Å; L212-F226 HydrophobicContact CD1-CB 3.73Å; L212-F226 HydrophobicContact CD2-CB 3.73Å; L212-F226 HydrophobicContact CG-CB 3.65Å |
| 213 | E | 94.4 | Very high | 92 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 158.6 | -171.4 | 61 | 178.5 | 174.6 | 0 | 0 | 110.6 | R215 V224 | E213-R215 VanDerWaalsContact CD-NH2 3.32Å; E213-R215 IonicContact OE1-CZ 3.94Å; E213-R215 IonicContact OE1-NH1 2.99Å; E213-R215 PolarHBondContact OE1-NH1 2.94Å; E213-R215 IonicContact OE1-NH2 3.22Å; E213-R215 PolarHBondContact OE1-NH2 2.88Å; E213-R215 IonicContact OE2-CZ 2.69Å; E213-R215 IonicContact OE2-NH2 3.07Å; E213-R215 PolarHBondContact OE2-NH2 2.91Å; E213-V224 HydrophobicContact CG-CB 4.03Å; E213-V224 HydrophobicContact CG-CG2 4.19Å; E213-V224 PolarHBondContact N-O 2.87Å; E213-V224 PolarHBondContact O-N 2.95Å |
| 214 | Q | 93.4 | Very high | 92.3 | Very high | 98 Ų | 98 | 66.8 Ų | 66.8 | 46% | 0.458 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.9 | 164 | -176 | 179.9 | -37.9 | 0 | 0 | 108 | H185 F211 V222 D223 | H185-Q214 PolarHBondContact CE1-OE1 3.24Å; H185-Q214 PolarHBondContact ND1-OE1 2.86Å; F211-Q214 HydrophobicContact CZ-CB 4.24Å; Q214-V222 CarbonylContact C-O 3.54Å; Q214-V222 WeakPolarHBondContact CA-O 3.4Å; Q214-D223 WeakPolarHBondContact CG-OD1 3.45Å |
| 215 | R | 90.9 | Very high | 92.6 | Very high | 100 Ų | 100 | 63.3 Ų | 63.3 | 38% | 0.377 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.8 | 178.1 | 176.9 | 174 | -74 | 118.6 | 4.5 | 110.1 | E213 V217 V222 | E213-R215 VanDerWaalsContact CD-NH2 3.32Å; E213-R215 IonicContact OE1-CZ 3.94Å; E213-R215 IonicContact OE1-NH1 2.99Å; E213-R215 PolarHBondContact OE1-NH1 2.94Å; E213-R215 IonicContact OE1-NH2 3.22Å; E213-R215 PolarHBondContact OE1-NH2 2.88Å; E213-R215 IonicContact OE2-CZ 2.69Å; E213-R215 IonicContact OE2-NH2 3.07Å; E213-R215 PolarHBondContact OE2-NH2 2.91Å; R215-V217 HydrophobicContact CG-CG2 3.95Å; R215-V222 PolarHBondContact N-O 2.92Å; R215-V222 PolarHBondContact O-N 2.86Å; R215-V222 VanDerWaalsContact O-O 3.09Å |
| 216 | R | 90.3 | Very high | 92.8 | Very high | 178 Ų | 178 | 61.8 Ų | 61.8 | 67% | 0.672 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.3 | 167.3 | -160 | 169.7 | -172.5 | -177 | 0.6 | 110.3 | G219 L220 | R216-G219 PolarHBondContact NE-O 3.46Å; R216-G219 VanDerWaalsContact NE-O 3.17Å; R216-L220 CarbonylContact C-O 3.44Å; R216-L220 WeakPolarHBondContact CA-O 3.22Å |
| 217 | V | 85.8 | Confident | 92.9 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.9 | 179.3 | -176.2 | 0 | 0 | 0 | 0 | 108 | I157 R215 G219 L220 V222 | I157-V217 HydrophobicContact CD1-CB 3.85Å; I157-V217 HydrophobicContact CD1-CG1 3.75Å; I157-V217 VanDerWaalsContact CD1-O 3.26Å; I157-V217 WeakPolarHBondContact CD1-O 3.47Å; I157-V217 HydrophobicContact CG1-CG1 4.12Å; R215-V217 HydrophobicContact CG-CG2 3.95Å; V217-G219 PolarHBondContact O-N 3.21Å; V217-L220 PolarHBondContact N-O 3.34Å; V217-L220 WeakPolarHBondContact O-CB 3.03Å; V217-L220 PolarHBondContact O-N 2.91Å; V217-V222 HydrophobicContact CB-CG2 4.49Å; V217-V222 HydrophobicContact CG2-CG2 4.47Å |
| 218 | N | 84 | Confident | 92.9 | Very high | 107 Ų | 107 | 61.1 Ų | 61.1 | 57% | 0.572 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 41.1 | -177.5 | -65.1 | -1.8 | 0 | 0 | 0 | 113.8 | D154 I157 L220 | D154-N218 PolarHBondContact OD1-ND2 3.04Å; I157-N218 HydrophobicContact CG1-CB 4.31Å; N218-L220 VanDerWaalsContact C-N 3.33Å; N218-L220 PolarHBondContact O-N 2.85Å |
| 219 | G | 83 | Confident | 92.9 | Very high | 47 Ų | 47 | 58 Ų | 58 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -13.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R216 V217 | R216-G219 PolarHBondContact NE-O 3.46Å; R216-G219 VanDerWaalsContact NE-O 3.17Å; V217-G219 PolarHBondContact O-N 3.21Å |
| 220 | L | 86.9 | Confident | 92.6 | Very high | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.2 | 176.5 | -160.9 | 76.8 | 0 | 0 | 0 | 110.7 | I157 L160 Q161 F184 R216 V217 N218 V222 | I157-L220 HydrophobicContact CD1-CB 3.71Å; I157-L220 HydrophobicContact CD1-CD2 3.67Å; I157-L220 HydrophobicContact CD1-CG 4.33Å; I157-L220 HydrophobicContact CG2-CD2 4.4Å; L160-L220 HydrophobicContact CB-CD2 4.05Å; L160-L220 HydrophobicContact CD1-CD2 4.4Å; Q161-L220 HydrophobicContact CG-CD1 4.25Å; Q161-L220 HydrophobicContact CG-CD2 4.41Å; F184-L220 HydrophobicContact CD2-CD1 3.65Å; F184-L220 HydrophobicContact CD2-CD2 3.81Å; F184-L220 HydrophobicContact CD2-CG 3.66Å; F184-L220 HydrophobicContact CE2-CD1 3.31Å; F184-L220 HydrophobicContact CE2-CD2 4.36Å; F184-L220 HydrophobicContact CE2-CG 3.76Å; F184-L220 HydrophobicContact CZ-CD1 4.36Å; R216-L220 CarbonylContact C-O 3.44Å; R216-L220 WeakPolarHBondContact CA-O 3.22Å; V217-L220 PolarHBondContact N-O 3.34Å; V217-L220 WeakPolarHBondContact O-CB 3.03Å; V217-L220 PolarHBondContact O-N 2.91Å; N218-L220 VanDerWaalsContact C-N 3.33Å; N218-L220 PolarHBondContact O-N 2.85Å; L220-V222 HydrophobicContact CB-CG2 4.36Å; L220-V222 HydrophobicContact CD2-CG2 3.94Å; L220-V222 HydrophobicContact CG-CG2 4.22Å |
| 221 | D | 91.3 | Very high | 92.4 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 127.4 | 170.5 | -66.4 | -42.8 | 0 | 0 | 0 | 109.7 | H185 | H185-D221 HydrophobicContact CB-CB 3.77Å; H185-D221 VanDerWaalsContact CB-O 3.28Å; H185-D221 WeakPolarHBondContact CB-O 3.47Å; H185-D221 PolarHBondContact N-O 3.37Å |
| 222 | V | 92.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.5 | -173 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | L160 C182 V183 Q214 R215 V217 L220 | L160-V222 HydrophobicContact CD1-CG1 3.91Å; L160-V222 HydrophobicContact CD1-CG2 3.82Å; C182-V222 HydrophobicContact CB-CG1 3.58Å; V183-V222 CarbonylContact O-C 3.54Å; V183-V222 WeakPolarHBondContact O-CA 3.21Å; V183-V222 WeakPolarHBondContact O-CG1 3.45Å; Q214-V222 CarbonylContact C-O 3.54Å; Q214-V222 WeakPolarHBondContact CA-O 3.4Å; R215-V222 PolarHBondContact N-O 2.92Å; R215-V222 PolarHBondContact O-N 2.86Å; R215-V222 VanDerWaalsContact O-O 3.09Å; V217-V222 HydrophobicContact CB-CG2 4.49Å; V217-V222 HydrophobicContact CG2-CG2 4.47Å; L220-V222 HydrophobicContact CB-CG2 4.36Å; L220-V222 HydrophobicContact CD2-CG2 3.94Å; L220-V222 HydrophobicContact CG-CG2 4.22Å |
| 223 | D | 94.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.8 | 169.9 | -66 | -31.2 | 0 | 0 | 0 | 109.7 | C182 V183 H185 F211 Q214 F225 | C182-D223 CarbonylContact C-O 3.24Å; C182-D223 WeakPolarHBondContact CA-O 3.28Å; V183-D223 HydrophobicContact CB-CB 4.5Å; V183-D223 PolarHBondContact N-O 3.48Å; V183-D223 PolarHBondContact O-N 3.06Å; H185-D223 IonicContact CE1-OD1 3.73Å; H185-D223 IonicContact CE1-OD2 3.84Å; H185-D223 IonicContact CG-OD1 3.71Å; H185-D223 IonicContact CG-OD2 3.76Å; H185-D223 IonicContact ND1-OD1 2.8Å; H185-D223 PolarHBondContact ND1-OD1 3.37Å; H185-D223 IonicContact ND1-OD2 2.91Å; H185-D223 PolarHBondContact ND1-OD2 3.1Å; F211-D223 HydrophobicContact CD2-CB 4.36Å; F211-D223 HydrophobicContact CE2-CB 3.99Å; Q214-D223 WeakPolarHBondContact CG-OD1 3.45Å; D223-F225 HydrophobicContact CB-CD2 4.25Å; D223-F225 HydrophobicContact CB-CE2 3.51Å; D223-F225 HydrophobicContact CB-CZ 4.25Å |
| 224 | V | 95.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.6 | 177.3 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | E180 L212 E213 | E180-V224 HydrophobicContact CB-CG1 4.14Å; E180-V224 HydrophobicContact CG-CG1 4.16Å; L212-V224 WeakPolarHBondContact CB-O 3.47Å; L212-V224 HydrophobicContact CD1-CG1 4.3Å; L212-V224 PolarHBondContact N-O 2.85Å; E213-V224 HydrophobicContact CG-CB 4.03Å; E213-V224 HydrophobicContact CG-CG2 4.19Å; E213-V224 PolarHBondContact N-O 2.87Å; E213-V224 PolarHBondContact O-N 2.95Å |
| 225 | F | 96.9 | Very high | 87.9 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144 | 175.2 | -61.7 | -107.1 | 0 | 0 | 0 | 110.5 | E180 V181 V183 V192 C209 K210 F211 D223 | E180-F225 CarbonylContact C-O 3.49Å; E180-F225 VanDerWaalsContact CA-O 3.3Å; E180-F225 WeakPolarHBondContact CA-O 3.43Å; V181-F225 HydrophobicContact CG1-CB 3.71Å; V181-F225 PolarHBondContact N-O 3.27Å; V181-F225 PolarHBondContact O-N 3.26Å; V183-F225 HydrophobicContact CB-CE2 4.13Å; V183-F225 HydrophobicContact CG2-CD2 4.11Å; V183-F225 HydrophobicContact CG2-CE2 4.01Å; V192-F225 HydrophobicContact CB-CD1 4.15Å; V192-F225 HydrophobicContact CB-CD2 4.4Å; V192-F225 HydrophobicContact CB-CE1 4.44Å; V192-F225 HydrophobicContact CB-CG 4.15Å; V192-F225 HydrophobicContact CG2-CD1 3.97Å; V192-F225 HydrophobicContact CG2-CD2 3.62Å; V192-F225 HydrophobicContact CG2-CE1 3.93Å; V192-F225 HydrophobicContact CG2-CE2 3.57Å; V192-F225 HydrophobicContact CG2-CG 3.84Å; V192-F225 HydrophobicContact CG2-CZ 3.75Å; C209-F225 HydrophobicContact CB-CB 3.79Å; C209-F225 HydrophobicContact CB-CD1 4.43Å; C209-F225 HydrophobicContact CB-CG 4.48Å; K210-F225 CarbonylContact O-C 3.53Å; K210-F225 WeakPolarHBondContact O-CA 3.3Å; F211-F225 HydrophobicContact CB-CD1 3.99Å; F211-F225 HydrophobicContact CB-CE1 3.8Å; F211-F225 HydrophobicContact CB-CZ 4.5Å; F211-F225 HydrophobicContact CD2-CE1 4.13Å; F211-F225 HydrophobicContact CD2-CE2 4.35Å; F211-F225 AromaticContact CD2-CZ 3.99Å; F211-F225 HydrophobicContact CD2-CZ 3.99Å; F211-F225 HydrophobicContact CG-CE1 4.48Å; D223-F225 HydrophobicContact CB-CD2 4.25Å; D223-F225 HydrophobicContact CB-CE2 3.51Å; D223-F225 HydrophobicContact CB-CZ 4.25Å |
| 226 | F | 97.7 | Very high | 86.2 | Confident | 54 Ų | 54 | 53.6 Ų | 53.6 | 24% | 0.237 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 139.6 | 172.4 | -176.7 | -108.3 | 0 | 0 | 0 | 110.9 | I178 G179 C209 K210 L212 E228 | I178-F226 HydrophobicContact CB-CE2 4.15Å; I178-F226 HydrophobicContact CB-CZ 4.02Å; I178-F226 HydrophobicContact CG2-CZ 4.03Å; G179-F226 WeakPolarHBondContact O-CA 3.3Å; G179-F226 VanDerWaalsContact O-CD2 3.27Å; G179-F226 WeakPolarHBondContact O-CD2 3.32Å; C209-F226 CarbonylContact C-O 3.53Å; C209-F226 VanDerWaalsContact CA-O 3.25Å; C209-F226 WeakPolarHBondContact CA-O 3.25Å; C209-F226 WeakPolarHBondContact CB-O 3.43Å; K210-F226 PolarHBondContact N-O 2.82Å; K210-F226 PolarHBondContact O-N 2.88Å; L212-F226 HydrophobicContact CD1-CB 3.73Å; L212-F226 HydrophobicContact CD2-CB 3.73Å; L212-F226 HydrophobicContact CG-CB 3.65Å; F226-E228 HydrophobicContact CE1-CB 3.84Å; F226-E228 HydrophobicContact CZ-CB 4.38Å |
| 227 | F | 97.3 | Very high | 84.9 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 150.6 | 169.7 | 65.5 | -92 | 0 | 0 | 0 | 110.9 | M167 C170 L177 I178 G179 M194 C209 F245 | M167-F227 HydrophobicContact CG-CE1 4.21Å; M167-F227 HydrophobicContact CG-CZ 4.46Å; M167-F227 HydrophobicContact SD-CE1 4.12Å; M167-F227 HydrophobicContact SD-CZ 3.82Å; C170-F227 HydrophobicContact CB-CZ 4.21Å; L177-F227 HydrophobicContact CD2-CE2 4.22Å; L177-F227 HydrophobicContact CG-CE2 4.2Å; I178-F227 WeakPolarHBondContact CA-O 3.45Å; G179-F227 VanDerWaalsContact CA-CE1 3.49Å; G179-F227 VanDerWaalsContact CA-CZ 3.46Å; G179-F227 PolarHBondContact N-O 2.94Å; G179-F227 VanDerWaalsContact O-CD1 3.32Å; G179-F227 WeakPolarHBondContact O-CD1 3.43Å; G179-F227 PolarHBondContact O-N 3.13Å; M194-F227 HydrophobicContact SD-CB 4.49Å; M194-F227 HydrophobicContact SD-CD2 3.65Å; M194-F227 HydrophobicContact SD-CE2 4.14Å; M194-F227 HydrophobicContact SD-CG 4.22Å; C209-F227 HydrophobicContact CB-CB 4.45Å; F227-F245 HydrophobicContact CB-CE1 4.34Å; F227-F245 AromaticContact CD1-CE1 3.53Å; F227-F245 HydrophobicContact CD1-CE1 3.53Å; F227-F245 AromaticContact CD1-CZ 3.64Å; F227-F245 HydrophobicContact CD1-CZ 3.64Å; F227-F245 HydrophobicContact CD2-CE1 4.49Å; F227-F245 HydrophobicContact CD2-CZ 4.35Å; F227-F245 AromaticContact CE1-CE1 3.87Å; F227-F245 HydrophobicContact CE1-CE1 3.87Å; F227-F245 HydrophobicContact CE1-CE2 4.5Å; F227-F245 AromaticContact CE1-CZ 3.47Å; F227-F245 HydrophobicContact CE1-CZ 3.47Å; F227-F245 VanDerWaalsContact CE1-CZ 3.47Å; F227-F245 HydrophobicContact CE2-CZ 4.2Å; F227-F245 AromaticContact CG-CE1 3.88Å; F227-F245 HydrophobicContact CG-CE1 3.88Å; F227-F245 HydrophobicContact CG-CZ 4.08Å; F227-F245 HydrophobicContact CZ-CE1 4.48Å; F227-F245 AromaticContact CZ-CZ 3.77Å; F227-F245 HydrophobicContact CZ-CZ 3.77Å |
| 228 | E | 96.9 | Very high | 84.1 | Confident | 84 Ų | 84 | 53.6 Ų | 53.6 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 126.8 | 177.4 | -178.6 | -178.7 | 175.6 | 0 | 0 | 108.6 | T176 L177 I178 I207 F226 | T176-E228 HydrophobicContact CG2-CG 3.5Å; L177-E228 CarbonylContact O-C 3.57Å; L177-E228 WeakPolarHBondContact O-CA 3.49Å; I178-E228 HydrophobicContact CG2-CB 4.32Å; I178-E228 HydrophobicContact CG2-CG 4Å; I207-E228 WeakPolarHBondContact CG2-O 3.26Å; F226-E228 HydrophobicContact CE1-CB 3.84Å; F226-E228 HydrophobicContact CZ-CB 4.38Å |
| 229 | A | 95.5 | Very high | 83.2 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 122.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L177 M194 M196 I207 L231 | L177-A229 HydrophobicContact CB-CB 4.33Å; L177-A229 PolarHBondContact N-O 3.38Å; L177-A229 PolarHBondContact O-N 3.15Å; M194-A229 HydrophobicContact CE-CB 3.41Å; M194-A229 VanDerWaalsContact CE-CB 3.41Å; M194-A229 HydrophobicContact SD-CB 4.27Å; M196-A229 HydrophobicContact SD-CB 3.97Å; I207-A229 HydrophobicContact CD1-CB 3.63Å; A229-L231 PolarHBondContact O-N 3.07Å |
| 230 | C | 92.2 | Very high | 83.1 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 131.5 | 173 | -60.7 | 0 | 0 | 0 | 0 | 112 | C121 | C121-C230 WeakPolarHBondContact CA-SG 3.38Å; C121-C230 HydrophobicContact CB-CB 4.39Å; C121-C230 WeakPolarHBondContact CB-SG 2.97Å; C121-C230 VanDerWaalsContact SG-CA 3.57Å; C121-C230 WeakPolarHBondContact SG-CB 2.87Å; C121-C230 CovalentContact SG-SG 2.03Å; C121-C230 PolarHBondContact SG-SG 2.83Å |
| 231 | L | 90.7 | Very high | 83.3 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 144.5 | 166.2 | -55.4 | 177.8 | 0 | 0 | 0 | 109.4 | F142 I172 N175 L177 M196 A229 Q233 I241 V267 | F142-L231 HydrophobicContact CB-CD1 3.72Å; F142-L231 HydrophobicContact CD2-CB 3.93Å; F142-L231 HydrophobicContact CD2-CD1 3.52Å; F142-L231 HydrophobicContact CD2-CG 4.35Å; F142-L231 HydrophobicContact CE2-CB 3.8Å; F142-L231 HydrophobicContact CE2-CD1 4.26Å; F142-L231 HydrophobicContact CG-CD1 3.73Å; F142-L231 HydrophobicContact CZ-CB 4.49Å; I172-L231 HydrophobicContact CD1-CD1 4.08Å; I172-L231 HydrophobicContact CG1-CD1 4.27Å; I172-L231 HydrophobicContact CG2-CD1 3.8Å; N175-L231 WeakPolarHBondContact O-CA 3.29Å; N175-L231 WeakPolarHBondContact O-CB 3.28Å; N175-L231 WeakPolarHBondContact O-CG 3.42Å; N175-L231 PolarHBondContact O-N 2.85Å; L177-L231 HydrophobicContact CB-CD2 4.2Å; M196-L231 HydrophobicContact CE-CD2 3.73Å; A229-L231 PolarHBondContact O-N 3.07Å; L231-Q233 PolarHBondContact O-N 2.9Å; L231-I241 HydrophobicContact CD2-CD1 4.41Å; L231-I241 HydrophobicContact CD2-CG2 4.48Å; L231-V267 HydrophobicContact CD1-CG1 4.18Å; L231-V267 HydrophobicContact CD2-CG1 4.35Å |
| 232 | P | 86.3 | Confident | 83.5 | Confident | 30 Ų | 30 | 55.5 Ų | 55.5 | 20% | 0.195 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 135.5 | -179.5 | 27.1 | -36.5 | 0 | 0 | 0 | 110.7 | F198 I238 I241 | F198-P232 HydrophobicContact CD1-CG 3.78Å; F198-P232 HydrophobicContact CE1-CG 3.86Å; P232-I238 HydrophobicContact CB-CD1 3.79Å; P232-I238 HydrophobicContact CB-CG1 4.49Å; P232-I238 HydrophobicContact CG-CD1 3.34Å; P232-I238 HydrophobicContact CG-CG1 3.97Å; P232-I241 HydrophobicContact CG-CD1 4.14Å |
| 233 | Q | 76.6 | Confident | 83.7 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 40% | 0.402 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -83.3 | -31.9 | -175.3 | -65.3 | -175.7 | 7 | 0 | 0 | 113 | P140 L231 | P140-Q233 WeakPolarHBondContact CD-O 3.5Å; P140-Q233 VanDerWaalsContact CG-O 3.31Å; P140-Q233 WeakPolarHBondContact CG-O 3.45Å; L231-Q233 PolarHBondContact O-N 2.9Å |
| 234 | I | 61.2 | Low | 83.8 | Confident | 144 Ų | 144 | 55.1 Ų | 55.1 | 74% | 0.738 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -151.4 | 101.6 | -169.7 | -54.1 | 174.5 | 0 | 0 | 0 | 109.6 | ||
| 235 | T | 59.6 | Low | 83.9 | Confident | 64 Ų | 64 | 55 Ų | 55 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | trans | -163.4 | 137.9 | 153.8 | -20.5 | 0 | 0 | 0 | 0 | 113 | K237 R269 | T235-K237 HydrophobicContact CG2-CB 3.86Å; T235-K237 HydrophobicContact CG2-CG 4.18Å; T235-K237 PolarHBondContact O-N 3.22Å; T235-R269 PolarHBondContact O-NH2 3.33Å | ||
| 236 | D | 56.3 | Low | 83.8 | Confident | 163 Ų | 163 | 55.1 Ų | 55.1 | 87% | 0.872 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -4.8 | 167.8 | -54.9 | -43.7 | 0 | 0 | 0 | 112.9 | ||
| 237 | K | 62.1 | Low | 83.6 | Confident | 178 Ų | 178 | 52.6 Ų | 52.6 | 77% | 0.774 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 6.1 | -176.9 | -62.2 | -173.4 | 176.9 | -174.3 | 0 | 115.1 | T235 E239 | T235-K237 HydrophobicContact CG2-CB 3.86Å; T235-K237 HydrophobicContact CG2-CG 4.18Å; T235-K237 PolarHBondContact O-N 3.22Å; K237-E239 PolarHBondContact O-N 3.03Å |
| 238 | I | 68.3 | Low | 83.2 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 14% | 0.138 | 27% | 0.268 | C | S | . | . | trans | -77.6 | 95 | 175.5 | -61 | 154.6 | 0 | 0 | 0 | 107.6 | P232 I241 | P232-I238 HydrophobicContact CB-CD1 3.79Å; P232-I238 HydrophobicContact CB-CG1 4.49Å; P232-I238 HydrophobicContact CG-CD1 3.34Å; P232-I238 HydrophobicContact CG-CG1 3.97Å; I238-I241 HydrophobicContact CG2-CD1 3.97Å; I238-I241 HydrophobicContact CG2-CG1 3.49Å; I238-I241 VanDerWaalsContact CG2-CG1 3.49Å | ||
| 239 | E | 66.4 | Low | 82.3 | Confident | 155 Ų | 155 | 49.9 Ų | 49.9 | 72% | 0.724 | 25% | 0.249 | S | C | * | . | trans | -72.1 | -45.9 | 178.1 | -66.2 | -173.8 | 167.1 | 0 | 0 | 110.7 | K237 | K237-E239 PolarHBondContact O-N 3.03Š| ||
| 240 | R | 80.3 | Confident | 81.3 | Confident | 108 Ų | 108 | 51.2 Ų | 51.2 | 41% | 0.408 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -162 | 125.3 | -175.2 | -159.1 | 166.4 | 165.6 | 171.4 | -26.7 | 111.3 | F198 E242 | F198-R240 CarbonylContact C-O 3.47Å; F198-R240 VanDerWaalsContact C-O 3.24Å; F198-R240 WeakPolarHBondContact CA-O 3.3Å; R240-E242 HydrophobicContact CG-CG 3.76Å; R240-E242 IonicContact CZ-OE1 2.7Å; R240-E242 IonicContact NE-OE1 2.73Å; R240-E242 PolarHBondContact NE-OE1 3.01Å; R240-E242 IonicContact NH2-OE1 2.7Å; R240-E242 PolarHBondContact NH2-OE1 3.47Å |
| 241 | I | 92.1 | Very high | 79.9 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.015 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 114.9 | 173.5 | -50 | -169.9 | 0 | 0 | 0 | 108 | F142 M196 T197 F198 L231 P232 I238 K266 V267 | F142-I241 HydrophobicContact CD1-CD1 4.06Å; F142-I241 HydrophobicContact CE1-CD1 3.51Å; F142-I241 HydrophobicContact CZ-CD1 3.97Å; M196-I241 HydrophobicContact CE-CG2 3.34Å; T197-I241 WeakPolarHBondContact O-CA 3.03Å; F198-I241 HydrophobicContact CD1-CB 4.39Å; F198-I241 HydrophobicContact CD1-CD1 4.14Å; F198-I241 HydrophobicContact CD1-CG1 3.95Å; F198-I241 HydrophobicContact CD1-CG2 3.95Å; F198-I241 HydrophobicContact CE1-CD1 4.35Å; F198-I241 HydrophobicContact CE1-CG2 3.9Å; L231-I241 HydrophobicContact CD2-CD1 4.41Å; L231-I241 HydrophobicContact CD2-CG2 4.48Å; P232-I241 HydrophobicContact CG-CD1 4.14Å; I238-I241 HydrophobicContact CG2-CD1 3.97Å; I238-I241 HydrophobicContact CG2-CG1 3.49Å; I238-I241 VanDerWaalsContact CG2-CG1 3.49Å; I241-K266 WeakPolarHBondContact O-CA 3.37Å; I241-V267 HydrophobicContact CB-CB 3.9Å; I241-V267 HydrophobicContact CD1-CG1 4.33Å; I241-V267 HydrophobicContact CG2-CB 3.91Å; I241-V267 HydrophobicContact CG2-CG2 4.35Å; I241-V267 PolarHBondContact O-N 3.26Å |
| 242 | E | 95.1 | Very high | 78.8 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 5% | 0.051 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 150.4 | 178.8 | -54.4 | -163.3 | 127.7 | 0 | 0 | 111.9 | M196 T197 W201 R240 N264 Y265 K266 | M196-E242 WeakPolarHBondContact CA-O 3.41Å; T197-E242 HydrophobicContact CG2-CB 3.93Å; T197-E242 PolarHBondContact N-O 2.99Å; T197-E242 PolarHBondContact O-N 3.02Å; T197-E242 VanDerWaalsContact O-N 3.1Å; W201-E242 HydrophobicContact CZ2-CB 4.11Å; W201-E242 PolarHBondContact NE1-OE2 3.44Å; R240-E242 HydrophobicContact CG-CG 3.76Å; R240-E242 IonicContact CZ-OE1 2.7Å; R240-E242 IonicContact NE-OE1 2.73Å; R240-E242 PolarHBondContact NE-OE1 3.01Å; R240-E242 IonicContact NH2-OE1 2.7Å; R240-E242 PolarHBondContact NH2-OE1 3.47Å; E242-N264 HydrophobicContact CB-CB 4.22Å; E242-Y265 CarbonylContact C-O 3.44Å; E242-Y265 VanDerWaalsContact CA-O 3.23Å; E242-Y265 WeakPolarHBondContact CA-O 3.26Å; E242-K266 HydrophobicContact CG-CG 4.34Å; E242-K266 WeakPolarHBondContact OE1-CE 3.33Å |
| 243 | F | 96.9 | Very high | 77.8 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 159.6 | 174.4 | 66 | -79.5 | 0 | 0 | 0 | 113.6 | F146 M167 L177 M194 K195 M196 F245 Y265 V267 | F146-F243 HydrophobicContact CE1-CE1 4.02Å; F146-F243 AromaticContact CE1-CZ 3.96Å; F146-F243 HydrophobicContact CE1-CZ 3.96Å; F146-F243 HydrophobicContact CZ-CE1 4.31Å; F146-F243 AromaticContact CZ-CZ 3.8Å; F146-F243 HydrophobicContact CZ-CZ 3.8Å; M167-F243 HydrophobicContact CE-CE2 4.45Å; M167-F243 HydrophobicContact CE-CZ 4.47Å; M167-F243 HydrophobicContact SD-CE2 3.82Å; M167-F243 HydrophobicContact SD-CZ 4.26Å; L177-F243 HydrophobicContact CD2-CD1 4Å; L177-F243 HydrophobicContact CD2-CD2 4.47Å; L177-F243 HydrophobicContact CD2-CE1 3.61Å; L177-F243 HydrophobicContact CD2-CE2 4.1Å; L177-F243 HydrophobicContact CD2-CG 4.42Å; L177-F243 HydrophobicContact CD2-CZ 3.66Å; M194-F243 HydrophobicContact CE-CB 4.01Å; M194-F243 HydrophobicContact CE-CD2 4.25Å; M194-F243 HydrophobicContact CE-CG 4.14Å; M194-F243 HydrophobicContact CG-CB 4.26Å; M194-F243 HydrophobicContact CG-CD2 4.14Å; M194-F243 HydrophobicContact SD-CD2 4Å; M194-F243 HydrophobicContact SD-CG 4.47Å; K195-F243 CarbonylContact O-C 3.52Å; K195-F243 WeakPolarHBondContact O-CA 3.5Å; K195-F243 VanDerWaalsContact O-CB 3.22Å; K195-F243 WeakPolarHBondContact O-CB 3.13Å; M196-F243 HydrophobicContact CB-CB 4.16Å; M196-F243 HydrophobicContact CG-CB 4.19Å; F243-F245 AromaticContact CD2-CE2 3.87Å; F243-F245 HydrophobicContact CD2-CE2 3.87Å; F243-F245 HydrophobicContact CD2-CZ 4.07Å; F243-F245 AromaticContact CE2-CE2 3.73Å; F243-F245 HydrophobicContact CE2-CE2 3.73Å; F243-F245 AromaticContact CE2-CZ 3.94Å; F243-F245 HydrophobicContact CE2-CZ 3.94Å; F243-Y265 WeakPolarHBondContact CD1-O 3.27Å; F243-Y265 HydrophobicContact CD2-CD2 4.19Å; F243-Y265 HydrophobicContact CD2-CG 4.44Å; F243-Y265 AromaticContact CE2-CD2 3.95Å; F243-Y265 HydrophobicContact CE2-CD2 3.95Å; F243-Y265 AromaticContact CE2-CG 3.94Å; F243-Y265 HydrophobicContact CE2-CG 3.94Å; F243-Y265 HydrophobicContact CZ-CD2 4.47Å; F243-Y265 AromaticContact CZ-CG 3.99Å; F243-Y265 HydrophobicContact CZ-CG 3.99Å; F243-Y265 PolarHBondContact N-O 3.34Å; F243-Y265 PolarHBondContact O-N 3.08Å; F243-V267 HydrophobicContact CE1-CG2 3.99Å |
| 244 | C | 97 | Very high | 78 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 169.8 | 173.2 | 68.8 | 0 | 0 | 0 | 0 | 110.4 | M194 K195 W201 D258 D259 | M194-C244 WeakPolarHBondContact CA-O 3.28Å; K195-C244 PolarHBondContact N-O 3.35Å; K195-C244 PolarHBondContact O-N 2.7Å; W201-C244 HydrophobicContact CH2-CB 4.35Å; W201-C244 VanDerWaalsContact CH2-SG 3.56Å; C244-D258 WeakPolarHBondContact CA-O 3.43Å; C244-D258 VanDerWaalsContact CB-O 3.3Å; C244-D258 WeakPolarHBondContact CB-O 3.49Å; C244-D259 HydrophobicContact CB-CB 4Å |
| 245 | F | 97 | Very high | 79.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 146.2 | 178.2 | -62.9 | -90.8 | 0 | 0 | 0 | 111.3 | V165 M167 V181 V192 N193 M194 F227 F243 R257 D258 Y265 | V165-F245 HydrophobicContact CG2-CB 4.24Å; M167-F245 HydrophobicContact CB-CD2 4.22Å; M167-F245 HydrophobicContact CB-CE2 3.89Å; M167-F245 HydrophobicContact CG-CE2 3.92Å; M167-F245 HydrophobicContact CG-CZ 4.29Å; M167-F245 HydrophobicContact SD-CE2 3.5Å; M167-F245 VanDerWaalsContact SD-CE2 3.5Å; M167-F245 HydrophobicContact SD-CZ 3.86Å; V181-F245 HydrophobicContact CB-CD1 4.15Å; V181-F245 HydrophobicContact CB-CE1 4.22Å; V181-F245 HydrophobicContact CG1-CD1 4.15Å; V181-F245 HydrophobicContact CG1-CE1 4.28Å; V181-F245 HydrophobicContact CG2-CB 4.33Å; V181-F245 HydrophobicContact CG2-CD1 4.06Å; V181-F245 HydrophobicContact CG2-CG 4.04Å; V192-F245 HydrophobicContact CG1-CD1 4.48Å; N193-F245 WeakPolarHBondContact O-CA 3.37Å; M194-F245 HydrophobicContact CB-CD1 3.99Å; M194-F245 HydrophobicContact CB-CE1 3.73Å; M194-F245 HydrophobicContact CB-CZ 4.47Å; M194-F245 HydrophobicContact CG-CD1 4.46Å; M194-F245 HydrophobicContact CG-CE1 3.98Å; M194-F245 HydrophobicContact CG-CZ 4.22Å; M194-F245 HydrophobicContact SD-CE1 4.27Å; M194-F245 HydrophobicContact SD-CZ 4.23Å; F227-F245 HydrophobicContact CB-CE1 4.34Å; F227-F245 AromaticContact CD1-CE1 3.53Å; F227-F245 HydrophobicContact CD1-CE1 3.53Å; F227-F245 AromaticContact CD1-CZ 3.64Å; F227-F245 HydrophobicContact CD1-CZ 3.64Å; F227-F245 HydrophobicContact CD2-CE1 4.49Å; F227-F245 HydrophobicContact CD2-CZ 4.35Å; F227-F245 AromaticContact CE1-CE1 3.87Å; F227-F245 HydrophobicContact CE1-CE1 3.87Å; F227-F245 HydrophobicContact CE1-CE2 4.5Å; F227-F245 AromaticContact CE1-CZ 3.47Å; F227-F245 HydrophobicContact CE1-CZ 3.47Å; F227-F245 VanDerWaalsContact CE1-CZ 3.47Å; F227-F245 HydrophobicContact CE2-CZ 4.2Å; F227-F245 AromaticContact CG-CE1 3.88Å; F227-F245 HydrophobicContact CG-CE1 3.88Å; F227-F245 HydrophobicContact CG-CZ 4.08Å; F227-F245 HydrophobicContact CZ-CE1 4.48Å; F227-F245 AromaticContact CZ-CZ 3.77Å; F227-F245 HydrophobicContact CZ-CZ 3.77Å; F243-F245 AromaticContact CD2-CE2 3.87Å; F243-F245 HydrophobicContact CD2-CE2 3.87Å; F243-F245 HydrophobicContact CD2-CZ 4.07Å; F243-F245 AromaticContact CE2-CE2 3.73Å; F243-F245 HydrophobicContact CE2-CE2 3.73Å; F243-F245 AromaticContact CE2-CZ 3.94Å; F243-F245 HydrophobicContact CE2-CZ 3.94Å; F245-R257 VanDerWaalsContact O-CA 3.28Å; F245-R257 WeakPolarHBondContact O-CA 3.25Å; F245-D258 HydrophobicContact CB-CB 4.37Å; F245-D258 PolarHBondContact N-O 3.07Å; F245-D258 PolarHBondContact O-N 3.06Å; F245-Y265 HydrophobicContact CD2-CD2 4.41Å; F245-Y265 HydrophobicContact CD2-CE2 4.11Å; F245-Y265 HydrophobicContact CE2-CD2 4.21Å; F245-Y265 HydrophobicContact CE2-CE2 4.15Å |
| 246 | T | 95.3 | Very high | 80.8 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.7 | 169.9 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | V192 N193 K195 V255 H256 R257 | V192-T246 WeakPolarHBondContact CA-O 3.45Å; N193-T246 PolarHBondContact N-O 3.2Å; N193-T246 PolarHBondContact O-N 2.97Å; N193-T246 PolarHBondContact O-OG1 2.8Å; K195-T246 HydrophobicContact CD-CG2 4.03Å; T246-V255 HydrophobicContact CG2-CG1 3.98Å; T246-H256 CarbonylContact C-O 3.52Å; T246-H256 WeakPolarHBondContact CA-O 3.47Å; T246-R257 HydrophobicContact CG2-CB 4.47Å; T246-R257 HydrophobicContact CG2-CG 4.48Å |
| 247 | S | 93.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.5 | 174.7 | 167.9 | 0 | 0 | 0 | 0 | 109.5 | V183 T191 H256 | V183-S247 WeakPolarHBondContact CG1-OG 3.44Å; T191-S247 WeakPolarHBondContact O-CA 3.48Å; S247-H256 PolarHBondContact N-O 2.84Å; S247-H256 PolarHBondContact O-N 3.03Å |
| 248 | S | 88.1 | Confident | 84.2 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 19% | 0.189 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121 | 171.9 | 47.8 | 0 | 0 | 0 | 0 | 109.7 | S190 T191 G250 | S190-S248 WeakPolarHBondContact CA-O 3.32Å; T191-S248 PolarHBondContact N-O 3.43Å; T191-S248 PolarHBondContact O-N 2.82Å; T191-S248 PolarHBondContact OG1-O 3.29Å; T191-S248 PolarHBondContact OG1-OG 2.61Å; S248-G250 PolarHBondContact O-N 2.62Å |
| 249 | P | 77.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 99.2 | 175.2 | 25 | -21.9 | 0 | 0 | 0 | 109.7 | C187 L251 S252 V254 Y302 | C187-P249 HydrophobicContact CB-CB 3.68Å; P249-L251 PolarHBondContact O-N 2.93Å; P249-S252 WeakPolarHBondContact O-CB 3.22Å; P249-S252 PolarHBondContact O-N 3.18Å; P249-V254 VanDerWaalsContact CD-O 3.26Å; P249-V254 WeakPolarHBondContact CD-O 3.32Å; P249-Y302 HydrophobicContact CG-CE2 4.38Å |
| 250 | G | 74.4 | Confident | 86.6 | Confident | 32 Ų | 32 | 39.7 Ų | 39.7 | 33% | 0.33 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | -124.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115 | K189 S248 S252 | K189-G250 WeakPolarHBondContact O-CA 3.42Å; K189-G250 PolarHBondContact O-N 2.94Å; S248-G250 PolarHBondContact O-N 2.62Å; G250-S252 PolarHBondContact O-N 2.83Å |
| 251 | L | 64 | Low | 86.9 | Confident | 156 Ų | 156 | 40.4 Ų | 40.4 | 82% | 0.817 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 4.6 | -179.6 | -76.7 | 103.1 | 0 | 0 | 0 | 114.4 | P249 | P249-L251 PolarHBondContact O-N 2.93Š|
| 252 | S | 67.6 | Low | 86.8 | Confident | 28 Ų | 28 | 42.7 Ų | 42.7 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | trans | -73.9 | 141.8 | 177.9 | -171.8 | 0 | 0 | 0 | 0 | 111.5 | P249 G250 V254 | P249-S252 WeakPolarHBondContact O-CB 3.22Å; P249-S252 PolarHBondContact O-N 3.18Å; G250-S252 PolarHBondContact O-N 2.83Å; S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact OG-N 3.39Å | ||
| 253 | S | 64.3 | Low | 86.5 | Confident | 117 Ų | 117 | 45 Ų | 45 | 82% | 0.818 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -77.6 | -11.2 | 170.5 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | V255 | S253-V255 PolarHBondContact O-N 3.19Š|
| 254 | V | 81 | Confident | 86.4 | Confident | 65 Ų | 65 | 46.1 Ų | 46.1 | 39% | 0.394 | 27% | 0.27 | S | S | . | . | trans | -80.7 | 111.5 | -176.9 | -176.2 | 0 | 0 | 0 | 0 | 110 | P249 S252 | P249-V254 VanDerWaalsContact CD-O 3.26Å; P249-V254 WeakPolarHBondContact CD-O 3.32Å; S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact OG-N 3.39Å | ||
| 255 | V | 89 | Confident | 86.3 | Confident | 85 Ų | 85 | 46.1 Ų | 46.1 | 52% | 0.515 | 27% | 0.27 | S | S | . | . | trans | -99.1 | 120.9 | 175.3 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | T246 S253 | T246-V255 HydrophobicContact CG2-CG1 3.98Å; S253-V255 PolarHBondContact O-N 3.19Å | ||
| 256 | H | 91.4 | Very high | 86.2 | Confident | 26 Ų | 26 | 48 Ų | 48 | 12% | 0.12 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 148.1 | 171.4 | -55.1 | 85.4 | 0 | 0 | 0 | 109.5 | K163 C164 V165 T246 S247 Y302 | K163-H256 WeakPolarHBondContact O-CB 3.34Å; C164-H256 HydrophobicContact CB-CB 4.29Å; V165-H256 HydrophobicContact CG1-CB 3.78Å; T246-H256 CarbonylContact C-O 3.52Å; T246-H256 WeakPolarHBondContact CA-O 3.47Å; S247-H256 PolarHBondContact N-O 2.84Å; S247-H256 PolarHBondContact O-N 3.03Å; H256-Y302 AromaticContact CE1-CE2 3.32Å; H256-Y302 WeakPolarHBondContact CE1-CE2 2.77Å; H256-Y302 AromaticContact CE1-CZ 3.86Å; H256-Y302 AromaticContact NE2-CD2 3.95Å; H256-Y302 AromaticContact NE2-CE2 3.51Å |
| 257 | R | 93.9 | Very high | 86.1 | Confident | 123 Ų | 123 | 47.7 Ų | 47.7 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 135.5 | -177.1 | 178 | -178 | -90.9 | 176.8 | -6.4 | 110.7 | F245 T246 D259 | F245-R257 VanDerWaalsContact O-CA 3.28Å; F245-R257 WeakPolarHBondContact O-CA 3.25Å; T246-R257 HydrophobicContact CG2-CB 4.47Å; T246-R257 HydrophobicContact CG2-CG 4.48Å; R257-D259 WeakPolarHBondContact CD-OD2 3.41Å; R257-D259 HydrophobicContact CG-CB 3.96Å |
| 258 | D | 95.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 100 | 161.7 | 176.4 | 17.9 | 0 | 0 | 0 | 108.7 | V165 Q166 M167 C244 F245 N260 Y265 | V165-D258 HydrophobicContact CG1-CB 4.13Å; V165-D258 HydrophobicContact CG2-CB 4.45Å; Q166-D258 WeakPolarHBondContact CA-OD2 3.38Å; Q166-D258 PolarHBondContact NE2-OD2 3.44Å; M167-D258 PolarHBondContact N-OD2 3.49Å; C244-D258 WeakPolarHBondContact CA-O 3.43Å; C244-D258 VanDerWaalsContact CB-O 3.3Å; C244-D258 WeakPolarHBondContact CB-O 3.49Å; F245-D258 HydrophobicContact CB-CB 4.37Å; F245-D258 PolarHBondContact N-O 3.07Å; F245-D258 PolarHBondContact O-N 3.06Å; D258-N260 PolarHBondContact OD1-N 3.37Å; D258-N260 VanDerWaalsContact OD1-N 3.1Å; D258-Y265 VanDerWaalsContact CG-OH 3.27Å; D258-Y265 PolarHBondContact OD1-OH 3.16Å; D258-Y265 WeakPolarHBondContact OD2-CE2 3.44Å; D258-Y265 PolarHBondContact OD2-OH 2.79Å |
| 259 | D | 94.1 | Very high | 85.8 | Confident | 39 Ų | 39 | 54 Ų | 54 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | trans | -111.1 | 23.9 | 175.5 | 59 | 14 | 0 | 0 | 0 | 112.2 | C244 R257 M261 G262 Q263 N264 | C244-D259 HydrophobicContact CB-CB 4Å; R257-D259 WeakPolarHBondContact CD-OD2 3.41Å; R257-D259 HydrophobicContact CG-CB 3.96Å; D259-M261 PolarHBondContact O-N 3.41Å; D259-M261 PolarHBondContact OD1-N 2.8Å; D259-G262 PolarHBondContact O-N 3.14Å; D259-G262 VanDerWaalsContact O-N 3.15Å; D259-G262 PolarHBondContact OD1-N 2.85Å; D259-Q263 PolarHBondContact O-N 3.31Å; D259-N264 VanDerWaalsContact O-CA 3.26Å; D259-N264 WeakPolarHBondContact O-CA 3.36Å; D259-N264 PolarHBondContact O-N 2.9Å | ||
| 260 | N | 91.6 | Very high | 86 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 52.8 | 179 | 179.9 | 39.9 | 0 | 0 | 0 | 112.1 | D258 G262 Q263 N264 Y265 F284 Y285 | D258-N260 PolarHBondContact OD1-N 3.37Å; D258-N260 VanDerWaalsContact OD1-N 3.1Å; N260-G262 VanDerWaalsContact C-N 3.32Å; N260-G262 PolarHBondContact O-N 3.11Å; N260-Q263 WeakPolarHBondContact O-CB 3.28Å; N260-Q263 PolarHBondContact O-N 3.08Å; N260-Q263 VanDerWaalsContact O-N 3.13Å; N260-N264 PolarHBondContact ND2-O 2.99Å; N260-Y265 HydrophobicContact CB-CD1 3.99Å; N260-Y265 HydrophobicContact CB-CD2 4.29Å; N260-Y265 HydrophobicContact CB-CE1 3.75Å; N260-Y265 HydrophobicContact CB-CE2 4.07Å; N260-Y265 HydrophobicContact CB-CG 4.27Å; N260-F284 WeakPolarHBondContact ND2-CD1 3.35Å; N260-F284 WeakPolarHBondContact ND2-CE1 3.17Å; N260-Y285 VanDerWaalsContact OD1-CE2 3.28Å; N260-Y285 WeakPolarHBondContact OD1-CE2 3.23Å |
| 261 | M | 87.3 | Confident | 85.9 | Confident | 123 Ų | 123 | 60.8 Ų | 60.8 | 61% | 0.606 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 38.7 | -178.5 | -51.9 | -62.5 | -60.9 | 0 | 0 | 113.2 | K163 D259 Q263 | K163-M261 PolarHBondContact NZ-SD 2.69Å; D259-M261 PolarHBondContact O-N 3.41Å; D259-M261 PolarHBondContact OD1-N 2.8Å; M261-Q263 PolarHBondContact O-N 3.31Å |
| 262 | G | 89.1 | Confident | 85.7 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 1.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D259 N260 | D259-G262 PolarHBondContact O-N 3.14Å; D259-G262 VanDerWaalsContact O-N 3.15Å; D259-G262 PolarHBondContact OD1-N 2.85Å; N260-G262 VanDerWaalsContact C-N 3.32Å; N260-G262 PolarHBondContact O-N 3.11Å |
| 263 | Q | 89.7 | Confident | 85.2 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 28% | 0.276 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -14.6 | 177.4 | -63.7 | -170.8 | 75.9 | 0 | 0 | 113.5 | D259 N260 M261 K266 Q283 | D259-Q263 PolarHBondContact O-N 3.31Å; N260-Q263 WeakPolarHBondContact O-CB 3.28Å; N260-Q263 PolarHBondContact O-N 3.08Å; N260-Q263 VanDerWaalsContact O-N 3.13Å; M261-Q263 PolarHBondContact O-N 3.31Å; Q263-K266 WeakPolarHBondContact O-CE 3.33Å; Q263-Q283 PolarHBondContact NE2-O 2.83Å |
| 264 | N | 94.5 | Very high | 84.7 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 13% | 0.134 | 35% | 0.347 | C | S | . | . | trans | 56.9 | 164.7 | -166.1 | -57.4 | -48 | 0 | 0 | 0 | 113 | W201 E242 D259 N260 | W201-N264 HydrophobicContact CZ2-CB 4.21Å; W201-N264 VanDerWaalsContact CZ2-CG 3.5Å; W201-N264 VanDerWaalsContact CZ2-ND2 3.32Å; W201-N264 WeakPolarHBondContact CZ2-ND2 3.33Å; W201-N264 PolarHBondContact NE1-ND2 3.24Å; E242-N264 HydrophobicContact CB-CB 4.22Å; D259-N264 VanDerWaalsContact O-CA 3.26Å; D259-N264 WeakPolarHBondContact O-CA 3.36Å; D259-N264 PolarHBondContact O-N 2.9Å; N260-N264 PolarHBondContact ND2-O 2.99Å | ||
| 265 | Y | 95.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 136.7 | 168.3 | -62.4 | -72.8 | 0 | 0 | 0 | 109.2 | F146 P149 Q166 M167 E242 F243 F245 D258 N260 Y285 | F146-Y265 HydrophobicContact CD1-CD1 4.13Å; F146-Y265 AromaticContact CD2-CD1 3.78Å; F146-Y265 HydrophobicContact CD2-CD1 3.78Å; F146-Y265 HydrophobicContact CD2-CE1 4.3Å; F146-Y265 HydrophobicContact CE1-CD1 4.16Å; F146-Y265 HydrophobicContact CE1-CG 4.41Å; F146-Y265 AromaticContact CE2-CD1 3.86Å; F146-Y265 HydrophobicContact CE2-CD1 3.86Å; F146-Y265 HydrophobicContact CE2-CE1 4.44Å; F146-Y265 AromaticContact CG-CD1 3.96Å; F146-Y265 HydrophobicContact CG-CD1 3.96Å; F146-Y265 HydrophobicContact CZ-CD1 4.04Å; F146-Y265 HydrophobicContact CZ-CG 4.42Å; P149-Y265 HydrophobicContact CB-CE1 4.38Å; Q166-Y265 PolarHBondContact NE2-OH 3.26Å; Q166-Y265 VanDerWaalsContact NE2-OH 3.1Å; M167-Y265 HydrophobicContact CB-CE2 4.08Å; M167-Y265 WeakPolarHBondContact CB-OH 3.27Å; M167-Y265 HydrophobicContact CE-CD1 3.36Å; M167-Y265 HydrophobicContact CE-CD2 4.12Å; M167-Y265 HydrophobicContact CE-CE1 3.26Å; M167-Y265 HydrophobicContact CE-CE2 4.04Å; M167-Y265 HydrophobicContact CE-CG 3.78Å; M167-Y265 HydrophobicContact SD-CD2 4.48Å; M167-Y265 HydrophobicContact SD-CE2 4.4Å; E242-Y265 CarbonylContact C-O 3.44Å; E242-Y265 VanDerWaalsContact CA-O 3.23Å; E242-Y265 WeakPolarHBondContact CA-O 3.26Å; F243-Y265 WeakPolarHBondContact CD1-O 3.27Å; F243-Y265 HydrophobicContact CD2-CD2 4.19Å; F243-Y265 HydrophobicContact CD2-CG 4.44Å; F243-Y265 AromaticContact CE2-CD2 3.95Å; F243-Y265 HydrophobicContact CE2-CD2 3.95Å; F243-Y265 AromaticContact CE2-CG 3.94Å; F243-Y265 HydrophobicContact CE2-CG 3.94Å; F243-Y265 HydrophobicContact CZ-CD2 4.47Å; F243-Y265 AromaticContact CZ-CG 3.99Å; F243-Y265 HydrophobicContact CZ-CG 3.99Å; F243-Y265 PolarHBondContact N-O 3.34Å; F243-Y265 PolarHBondContact O-N 3.08Å; F245-Y265 HydrophobicContact CD2-CD2 4.41Å; F245-Y265 HydrophobicContact CD2-CE2 4.11Å; F245-Y265 HydrophobicContact CE2-CD2 4.21Å; F245-Y265 HydrophobicContact CE2-CE2 4.15Å; D258-Y265 VanDerWaalsContact CG-OH 3.27Å; D258-Y265 PolarHBondContact OD1-OH 3.16Å; D258-Y265 WeakPolarHBondContact OD2-CE2 3.44Å; D258-Y265 PolarHBondContact OD2-OH 2.79Å; N260-Y265 HydrophobicContact CB-CD1 3.99Å; N260-Y265 HydrophobicContact CB-CD2 4.29Å; N260-Y265 HydrophobicContact CB-CE1 3.75Å; N260-Y265 HydrophobicContact CB-CE2 4.07Å; N260-Y265 HydrophobicContact CB-CG 4.27Å; Y265-Y285 HydrophobicContact CE1-CE2 4.46Å; Y265-Y285 PolarHBondContact OH-OH 2.88Å |
| 266 | K | 93.8 | Very high | 81.7 | Confident | 39 Ų | 39 | 60 Ų | 60 | 17% | 0.17 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136 | -172.5 | -57.9 | 178.5 | -163.4 | 175.4 | 0 | 110.9 | G145 F146 I241 E242 Q263 | G145-K266 WeakPolarHBondContact CA-O 3.39Å; G145-K266 PolarHBondContact N-O 3.34Å; F146-K266 VanDerWaalsContact CD1-O 3.25Å; F146-K266 WeakPolarHBondContact CD1-O 3.32Å; F146-K266 VanDerWaalsContact CE1-O 3.31Å; F146-K266 WeakPolarHBondContact CE1-O 3.44Å; I241-K266 WeakPolarHBondContact O-CA 3.37Å; E242-K266 HydrophobicContact CG-CG 4.34Å; E242-K266 WeakPolarHBondContact OE1-CE 3.33Å; Q263-K266 WeakPolarHBondContact O-CE 3.33Å |
| 267 | V | 92.8 | Very high | 79.7 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.03 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.2 | 167.1 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | F142 I172 L177 L231 I241 F243 | F142-V267 HydrophobicContact CB-CG1 3.73Å; F142-V267 HydrophobicContact CD1-CG1 3.86Å; F142-V267 HydrophobicContact CG-CG1 4.04Å; I172-V267 HydrophobicContact CD1-CG1 3.79Å; I172-V267 HydrophobicContact CD1-CG2 4.45Å; L177-V267 HydrophobicContact CD1-CG2 3.88Å; L177-V267 HydrophobicContact CD2-CG2 4.44Å; L231-V267 HydrophobicContact CD1-CG1 4.18Å; L231-V267 HydrophobicContact CD2-CG1 4.35Å; I241-V267 HydrophobicContact CB-CB 3.9Å; I241-V267 HydrophobicContact CD1-CG1 4.33Å; I241-V267 HydrophobicContact CG2-CB 3.91Å; I241-V267 HydrophobicContact CG2-CG2 4.35Å; I241-V267 PolarHBondContact O-N 3.26Å; F243-V267 HydrophobicContact CE1-CG2 3.99Å |
| 268 | L | 89.4 | Confident | 77.6 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 33% | 0.33 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 138.7 | -177.2 | -55.7 | -179.8 | 0 | 0 | 0 | 109.6 | F142 R143 | F142-L268 CarbonylContact C-O 3.6Å; F142-L268 WeakPolarHBondContact CA-O 3.35Å; R143-L268 HydrophobicContact CG-CB 4.1Å; R143-L268 PolarHBondContact N-O 3.1Å; R143-L268 PolarHBondContact O-N 3.22Å |
| 269 | R | 85.4 | Confident | 75.4 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 36% | 0.362 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 135.9 | 167.5 | -170 | -177 | -66.6 | -167.8 | -1 | 109 | P140 F142 T235 T271 | P140-R269 HydrophobicContact CB-CG 4.5Å; F142-R269 HydrophobicContact CD1-CB 4.42Å; F142-R269 HydrophobicContact CE1-CB 4.36Å; T235-R269 PolarHBondContact O-NH2 3.33Å; R269-T271 PolarHBondContact O-N 3.41Å |
| 270 | E | 82.5 | Confident | 73.5 | Confident | 87 Ų | 87 | 71.5 Ų | 71.5 | 41% | 0.407 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 119.2 | 169.4 | -62.1 | -171.2 | 160.5 | 0 | 0 | 108.9 | K141 R143 | K141-E270 HydrophobicContact CB-CB 3.96Å; K141-E270 HydrophobicContact CB-CG 4.1Å; K141-E270 VanDerWaalsContact CB-OE2 3.29Å; K141-E270 WeakPolarHBondContact CB-OE2 3.26Å; K141-E270 WeakPolarHBondContact CD-OE2 3.22Å; K141-E270 PolarHBondContact O-N 2.63Å; R143-E270 HydrophobicContact CB-CG 4.26Å; R143-E270 HydrophobicContact CG-CG 4.11Å |
| 271 | T | 72.4 | Confident | 71.3 | Confident | 90 Ų | 90 | 75.2 Ų | 75.2 | 55% | 0.552 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 136.3 | 168.8 | 54.1 | 0 | 0 | 0 | 0 | 109.1 | R269 G273 S274 | R269-T271 PolarHBondContact O-N 3.41Å; T271-G273 PolarHBondContact O-N 2.75Å; T271-S274 PolarHBondContact O-N 3.03Å; T271-S274 VanDerWaalsContact O-N 3.11Å; T271-S274 PolarHBondContact O-OG 3.17Å; T271-S274 WeakPolarHBondContact OG1-CB 3.19Å; T271-S274 PolarHBondContact OG1-OG 2.79Å; T271-S274 VanDerWaalsContact OG1-OG 3.1Å |
| 272 | A | 58.9 | Low | 69.3 | Low | 115 Ų | 115 | 77 Ų | 77 | 95% | 0.95 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 111.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 273 | G | 58.1 | Low | 67.3 | Low | 84 Ų | 84 | 80.7 Ų | 80.7 | 87% | 0.866 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.1 | -7.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | T271 S275 | T271-G273 PolarHBondContact O-N 2.75Å; G273-S275 PolarHBondContact O-N 2.97Å |
| 274 | S | 52.6 | Low | 65.4 | Low | 54 Ų | 54 | 78.6 Ų | 78.6 | 38% | 0.378 | 45% | 0.446 | S | S | . | . | trans | -81.4 | 110.7 | 170.2 | 64.8 | 0 | 0 | 0 | 0 | 110.2 | T271 | T271-S274 PolarHBondContact O-N 3.03Å; T271-S274 VanDerWaalsContact O-N 3.11Å; T271-S274 PolarHBondContact O-OG 3.17Å; T271-S274 WeakPolarHBondContact OG1-CB 3.19Å; T271-S274 PolarHBondContact OG1-OG 2.79Å; T271-S274 VanDerWaalsContact OG1-OG 3.1Å | ||
| 275 | S | 54.8 | Low | 63.4 | Low | 92 Ų | 92 | 79.1 Ų | 79.1 | 64% | 0.643 | 45% | 0.446 | S | S | * | . | trans | -61.2 | 151.5 | 161.2 | 60.9 | 0 | 0 | 0 | 0 | 108.4 | G273 S277 | G273-S275 PolarHBondContact O-N 2.97Å; S275-S277 PolarHBondContact O-N 2.89Å | ||
| 276 | P | 53.1 | Low | 60.9 | Low | 89 Ų | 89 | 83.1 Ų | 83.1 | 58% | 0.578 | 47% | 0.472 | S | S | * | . | trans | -64.3 | 89.9 | 173 | 25.5 | -31.8 | 0 | 0 | 0 | 108.7 | K278 | P276-K278 PolarHBondContact O-N 3.47Å; P276-K278 VanDerWaalsContact O-N 3.08Å | ||
| 277 | S | 49.8 | Very low | 58.5 | Low | 61 Ų | 61 | 87.2 Ų | 87.2 | 43% | 0.427 | 49% | 0.493 | S | S | . | . | trans | -55.8 | 118.4 | 172.8 | 175.7 | 0 | 0 | 0 | 0 | 107.6 | S275 D279 Y280 | S275-S277 PolarHBondContact O-N 2.89Å; S277-D279 PolarHBondContact O-N 3.25Å; S277-D279 VanDerWaalsContact O-N 3.17Å; S277-Y280 WeakPolarHBondContact O-CD1 3.33Å; S277-Y280 WeakPolarHBondContact O-CE1 3.46Å | ||
| 278 | K | 50.3 | Low | 56.4 | Low | 176 Ų | 176 | 89.3 Ų | 89.3 | 77% | 0.765 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -72.9 | 0.3 | -175 | -67.7 | -179.9 | 177.6 | 177.2 | 0 | 112.9 | P276 Y280 T281 | P276-K278 PolarHBondContact O-N 3.47Å; P276-K278 VanDerWaalsContact O-N 3.08Å; K278-Y280 PolarHBondContact O-N 3.08Å; K278-T281 PolarHBondContact O-N 3.11Å; K278-T281 PolarHBondContact O-OG1 3.45Å |
| 279 | D | 47.1 | Very low | 54.4 | Low | 119 Ų | 119 | 91.5 Ų | 91.5 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -73.7 | -21.6 | -170.2 | -90.7 | -30.3 | 0 | 0 | 0 | 115.2 | S277 T281 | S277-D279 PolarHBondContact O-N 3.25Å; S277-D279 VanDerWaalsContact O-N 3.17Å; D279-T281 PolarHBondContact O-N 2.76Å |
| 280 | Y | 54.7 | Low | 52.3 | Low | 74 Ų | 74 | 94.7 Ų | 94.7 | 29% | 0.29 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -70.8 | -13.8 | 178.1 | 63.8 | -90.8 | 0 | 0 | 0 | 113 | S277 K278 K282 F284 | S277-Y280 WeakPolarHBondContact O-CD1 3.33Å; S277-Y280 WeakPolarHBondContact O-CE1 3.46Å; K278-Y280 PolarHBondContact O-N 3.08Å; Y280-K282 PolarHBondContact O-N 3.47Å; Y280-F284 WeakPolarHBondContact O-CD2 3.38Å |
| 281 | T | 46.3 | Very low | 50.4 | Low | 78 Ų | 78 | 93.5 Ų | 93.5 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -68.9 | -17.2 | -177 | 56 | 0 | 0 | 0 | 0 | 114.2 | K278 D279 | K278-T281 PolarHBondContact O-N 3.11Å; K278-T281 PolarHBondContact O-OG1 3.45Å; D279-T281 PolarHBondContact O-N 2.76Å |
| 282 | K | 44.7 | Very low | 49.1 | Very low | 160 Ų | 160 | 97.4 Ų | 97.4 | 70% | 0.696 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -90.2 | -9.6 | -175.4 | -64.6 | -172.8 | -179.4 | 177.3 | 0 | 115.1 | Y280 | Y280-K282 PolarHBondContact O-N 3.47Š|
| 283 | Q | 47.1 | Very low | 48.2 | Very low | 128 Ų | 128 | 95.9 Ų | 95.9 | 60% | 0.598 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -107.7 | -7.3 | -175.7 | -71 | -179.2 | -4.7 | 0 | 0 | 114.3 | Q263 | Q263-Q283 PolarHBondContact NE2-O 2.83Š|
| 284 | F | 50.1 | Low | 47.4 | Very low | 15 Ų | 15 | 94.7 Ų | 94.7 | 7% | 0.066 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -112 | 118.6 | -175.5 | -69.2 | -101.2 | 0 | 0 | 0 | 109 | G145 F146 P147 N260 Y280 P286 | G145-F284 VanDerWaalsContact O-CZ 3.3Å; G145-F284 WeakPolarHBondContact O-CZ 3.29Å; F146-F284 HydrophobicContact CB-CD1 3.5Å; F146-F284 VanDerWaalsContact CB-CD1 3.5Å; F146-F284 HydrophobicContact CB-CE1 3.49Å; F146-F284 VanDerWaalsContact CB-CE1 3.49Å; F146-F284 HydrophobicContact CB-CG 4.19Å; F146-F284 HydrophobicContact CB-CZ 4.16Å; P147-F284 HydrophobicContact CG-CB 3.51Å; P147-F284 HydrophobicContact CG-CG 4.34Å; N260-F284 WeakPolarHBondContact ND2-CD1 3.35Å; N260-F284 WeakPolarHBondContact ND2-CE1 3.17Å; Y280-F284 WeakPolarHBondContact O-CD2 3.38Å; F284-P286 VanDerWaalsContact C-N 3.35Å; F284-P286 WeakPolarHBondContact O-CD 3.23Å |
| 285 | Y | 52.8 | Low | 46.9 | Very low | 37 Ų | 37 | 99.2 Ų | 99.2 | 15% | 0.145 | 53% | 0.528 | C | S | . | . | S | Bend | trans | 51.7 | 32.8 | -178.1 | -61.3 | -78.5 | 0 | 0 | 0 | 117.4 | P149 Q166 N260 Y265 M287 L288 | P149-Y285 HydrophobicContact CB-CD2 4.47Å; P149-Y285 HydrophobicContact CB-CE2 3.73Å; Q166-Y285 PolarHBondContact NE2-OH 3.44Å; Q166-Y285 PolarHBondContact OE1-OH 3.13Å; N260-Y285 VanDerWaalsContact OD1-CE2 3.28Å; N260-Y285 WeakPolarHBondContact OD1-CE2 3.23Å; Y265-Y285 HydrophobicContact CE1-CE2 4.46Å; Y265-Y285 PolarHBondContact OH-OH 2.88Å; Y285-M287 PolarHBondContact O-N 3.49Å; Y285-M287 VanDerWaalsContact O-N 3.07Å; Y285-L288 HydrophobicContact CD1-CD1 3.48Å; Y285-L288 VanDerWaalsContact CD1-CD1 3.48Å; Y285-L288 HydrophobicContact CD1-CG 4.13Å; Y285-L288 HydrophobicContact CE1-CD1 4.33Å; Y285-L288 HydrophobicContact CG-CD1 3.95Å; Y285-L288 PolarHBondContact O-N 2.86Å |
| 286 | P | 42.8 | Very low | 46.4 | Very low | 83 Ų | 83 | 101 Ų | 101 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -7.9 | -179.1 | 31.5 | -36 | 0 | 0 | 0 | 113.3 | F284 | F284-P286 VanDerWaalsContact C-N 3.35Å; F284-P286 WeakPolarHBondContact O-CD 3.23Å |
| 287 | M | 42.6 | Very low | 46.3 | Very low | 126 Ų | 126 | 101.5 Ų | 101.5 | 62% | 0.621 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -6.7 | -176.8 | -129.9 | -157.2 | 172.9 | 0 | 0 | 115.4 | Y285 S289 K290 Y291 | Y285-M287 PolarHBondContact O-N 3.49Å; Y285-M287 VanDerWaalsContact O-N 3.07Å; M287-S289 PolarHBondContact O-N 2.94Å; M287-K290 CarbonylContact O-C 3.59Å; M287-K290 PolarHBondContact O-N 2.79Å; M287-Y291 PolarHBondContact O-N 3.33Å |
| 288 | L | 49.9 | Very low | 46.4 | Very low | 49 Ų | 49 | 105.1 Ų | 105.1 | 26% | 0.257 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -63.6 | -29.7 | -179.7 | -75.1 | 171.9 | 0 | 0 | 0 | 112.4 | A155 Y285 K290 | A155-L288 HydrophobicContact CB-CB 3.88Å; A155-L288 HydrophobicContact CB-CD1 3.78Å; A155-L288 HydrophobicContact CB-CD2 4.07Å; A155-L288 HydrophobicContact CB-CG 4.1Å; Y285-L288 HydrophobicContact CD1-CD1 3.48Å; Y285-L288 VanDerWaalsContact CD1-CD1 3.48Å; Y285-L288 HydrophobicContact CD1-CG 4.13Å; Y285-L288 HydrophobicContact CE1-CD1 4.33Å; Y285-L288 HydrophobicContact CG-CD1 3.95Å; Y285-L288 PolarHBondContact O-N 2.86Å; L288-K290 PolarHBondContact O-N 2.77Å |
| 289 | S | 45.4 | Very low | 46.5 | Very low | 108 Ų | 108 | 98.9 Ų | 98.9 | 76% | 0.755 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -76.1 | -7.1 | 175.6 | 82.1 | 0 | 0 | 0 | 0 | 114.5 | M287 | M287-S289 PolarHBondContact O-N 2.94Š|
| 290 | K | 43 | Very low | 46.9 | Very low | 164 Ų | 164 | 97 Ų | 97 | 71% | 0.713 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -122.5 | 3.4 | 179 | -67.1 | -174.9 | -178.6 | -178.9 | 0 | 112.6 | M287 L288 Q292 | M287-K290 CarbonylContact O-C 3.59Å; M287-K290 PolarHBondContact O-N 2.79Å; L288-K290 PolarHBondContact O-N 2.77Å; K290-Q292 PolarHBondContact O-N 2.87Å; K290-Q292 VanDerWaalsContact O-N 3.11Å |
| 291 | Y | 42.3 | Very low | 47 | Very low | 61 Ų | 61 | 96.2 Ų | 96.2 | 24% | 0.239 | 51% | 0.509 | C | S | . | . | trans | -77.9 | 100.8 | -175.5 | -167.7 | -95 | 0 | 0 | 0 | 109.4 | A158 E162 M287 P293 P294 | A158-Y291 HydrophobicContact CB-CD1 4.22Å; E162-Y291 PolarHBondContact OE1-OH 2.89Å; E162-Y291 PolarHBondContact OE2-OH 2.86Å; M287-Y291 PolarHBondContact O-N 3.33Å; Y291-P293 HydrophobicContact CE1-CB 4.05Å; Y291-P294 WeakPolarHBondContact OH-CD 3.15Å | ||
| 292 | Q | 44.5 | Very low | 47.4 | Very low | 173 Ų | 173 | 93.5 Ų | 93.5 | 81% | 0.808 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 125 | 155.5 | -99.4 | -177.3 | -23.6 | 0 | 0 | 107 | K290 P294 | K290-Q292 PolarHBondContact O-N 2.87Å; K290-Q292 VanDerWaalsContact O-N 3.11Å; Q292-P294 WeakPolarHBondContact O-CD 3.47Å; Q292-P294 VanDerWaalsContact O-N 3.14Å |
| 293 | P | 39.7 | Very low | 48.1 | Very low | 83 Ų | 83 | 89.3 Ų | 89.3 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 118.5 | 179 | 22.6 | -29.6 | 0 | 0 | 0 | 109.4 | Y291 V295 | Y291-P293 HydrophobicContact CE1-CB 4.05Å; P293-V295 PolarHBondContact O-N 3.28Å |
| 294 | P | 41.4 | Very low | 48.6 | Very low | 59 Ų | 59 | 91.4 Ų | 91.4 | 38% | 0.383 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 130.4 | 160.2 | 23.2 | -31 | 0 | 0 | 0 | 108.1 | Y291 Q292 Y296 | Y291-P294 WeakPolarHBondContact OH-CD 3.15Å; Q292-P294 WeakPolarHBondContact O-CD 3.47Å; Q292-P294 VanDerWaalsContact O-N 3.14Å; P294-Y296 HydrophobicContact CB-CD2 3.91Å; P294-Y296 HydrophobicContact CB-CE2 3.72Å; P294-Y296 HydrophobicContact CG-CD2 3.56Å; P294-Y296 HydrophobicContact CG-CE2 3.23Å; P294-Y296 PolarHBondContact O-N 3.44Å |
| 295 | V | 42.6 | Very low | 48.9 | Very low | 149 Ų | 149 | 94.7 Ų | 94.7 | 90% | 0.903 | 50% | 0.496 | S | S | * | . | trans | -67.2 | 86.9 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | P293 | P293-V295 PolarHBondContact O-N 3.28Š| ||
| 296 | Y | 45.2 | Very low | 49 | Very low | 130 Ų | 130 | 93.4 Ų | 93.4 | 51% | 0.51 | 49% | 0.492 | S | S | . | . | trans | -84.1 | 125.1 | 175.7 | -85.5 | -70.8 | 0 | 0 | 0 | 110.1 | P294 Q298 | P294-Y296 HydrophobicContact CB-CD2 3.91Å; P294-Y296 HydrophobicContact CB-CE2 3.72Å; P294-Y296 HydrophobicContact CG-CD2 3.56Å; P294-Y296 HydrophobicContact CG-CE2 3.23Å; P294-Y296 PolarHBondContact O-N 3.44Å; Y296-Q298 PolarHBondContact O-N 3.45Å; Y296-Q298 VanDerWaalsContact O-N 3.12Å | ||
| 297 | P | 50.3 | Low | 49.8 | Very low | 98 Ų | 98 | 95.5 Ų | 95.5 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -11.2 | 175.3 | 24.8 | -31.6 | 0 | 0 | 0 | 113.4 | F299 S300 S301 | P297-F299 VanDerWaalsContact C-N 3.27Å; P297-F299 PolarHBondContact O-N 3.48Å; P297-S300 PolarHBondContact O-N 2.74Å; P297-S300 PolarHBondContact O-OG 2.83Å; P297-S301 PolarHBondContact O-N 2.82Å |
| 298 | Q | 51.2 | Low | 50.5 | Low | 137 Ų | 137 | 93.3 Ų | 93.3 | 64% | 0.64 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.8 | -35.5 | 179.4 | -72 | -177.2 | 2.5 | 0 | 0 | 112.3 | Y296 S300 S301 Y302 | Y296-Q298 PolarHBondContact O-N 3.45Å; Y296-Q298 VanDerWaalsContact O-N 3.12Å; Q298-S300 VanDerWaalsContact C-N 3.33Å; Q298-S300 PolarHBondContact O-N 2.79Å; Q298-S301 WeakPolarHBondContact CA-OG 3.44Å; Q298-S301 PolarHBondContact O-N 3.42Å; Q298-S301 PolarHBondContact O-OG 3.1Å; Q298-Y302 VanDerWaalsContact O-CB 3.27Å; Q298-Y302 WeakPolarHBondContact O-CB 3.27Å; Q298-Y302 PolarHBondContact O-N 2.93Å |
| 299 | F | 52.6 | Low | 50.9 | Low | 45 Ų | 45 | 93.6 Ų | 93.6 | 20% | 0.197 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 178.7 | -134 | -104.8 | 0 | 0 | 0 | 112.6 | Q161 F184 P297 Y302 L303 | Q161-F299 VanDerWaalsContact CA-CE2 3.48Å; Q161-F299 VanDerWaalsContact CA-CZ 3.47Å; Q161-F299 HydrophobicContact CB-CE2 4.45Å; Q161-F299 HydrophobicContact CB-CZ 4.26Å; Q161-F299 HydrophobicContact CG-CZ 4.41Å; Q161-F299 WeakPolarHBondContact O-CD2 3.49Å; Q161-F299 WeakPolarHBondContact O-CE2 3.32Å; F184-F299 HydrophobicContact CD1-CE1 4.24Å; F184-F299 AromaticContact CD1-CZ 3.7Å; F184-F299 HydrophobicContact CD1-CZ 3.7Å; F184-F299 AromaticContact CE1-CE1 3.77Å; F184-F299 HydrophobicContact CE1-CE1 3.77Å; F184-F299 AromaticContact CE1-CZ 3.72Å; F184-F299 HydrophobicContact CE1-CZ 3.72Å; F184-F299 HydrophobicContact CG-CZ 4.18Å; F184-F299 AromaticContact CZ-CE1 3.95Å; F184-F299 HydrophobicContact CZ-CE1 3.95Å; F184-F299 HydrophobicContact CZ-CZ 4.21Å; P297-F299 VanDerWaalsContact C-N 3.27Å; P297-F299 PolarHBondContact O-N 3.48Å; F299-Y302 PolarHBondContact O-N 3.44Å; F299-L303 HydrophobicContact CD1-CD1 4.39Å; F299-L303 WeakPolarHBondContact O-CG 2.82Å; F299-L303 PolarHBondContact O-N 2.79Å |
| 300 | S | 55.5 | Low | 51.5 | Low | 81 Ų | 81 | 91.5 Ų | 91.5 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.3 | -40.6 | 175.1 | 83.1 | 0 | 0 | 0 | 0 | 112 | P297 Q298 Y302 R304 | P297-S300 PolarHBondContact O-N 2.74Å; P297-S300 PolarHBondContact O-OG 2.83Å; Q298-S300 VanDerWaalsContact C-N 3.33Å; Q298-S300 PolarHBondContact O-N 2.79Å; S300-Y302 VanDerWaalsContact C-N 3.28Å; S300-Y302 PolarHBondContact O-N 3.33Å; S300-R304 VanDerWaalsContact O-CB 3.28Å; S300-R304 WeakPolarHBondContact O-CB 3.11Å; S300-R304 PolarHBondContact O-N 3.46Å |
| 301 | S | 56.5 | Low | 52.1 | Low | 57 Ų | 57 | 90 Ų | 90 | 40% | 0.399 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.8 | -32.4 | 177.1 | 70.7 | 0 | 0 | 0 | 0 | 111.9 | P297 Q298 N305 | P297-S301 PolarHBondContact O-N 2.82Å; Q298-S301 WeakPolarHBondContact CA-OG 3.44Å; Q298-S301 PolarHBondContact O-N 3.42Å; Q298-S301 PolarHBondContact O-OG 3.1Å; S301-N305 WeakPolarHBondContact O-CB 3.04Å; S301-N305 PolarHBondContact O-N 3.18Å; S301-N305 PolarHBondContact O-ND2 3.37Å |
| 302 | Y | 55.7 | Low | 52.8 | Low | 20 Ų | 20 | 91.7 Ų | 91.7 | 8% | 0.078 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -69.9 | -50.1 | 177.1 | 177.5 | -103.7 | 0 | 0 | 0 | 111.8 | F184 S186 P249 H256 Q298 F299 S300 R304 N305 C306 | F184-Y302 HydrophobicContact CD1-CD1 4.47Å; F184-Y302 AromaticContact CD1-CE1 3.81Å; F184-Y302 HydrophobicContact CD1-CE1 3.81Å; F184-Y302 HydrophobicContact CE1-CD1 4.34Å; F184-Y302 AromaticContact CE1-CE1 3.97Å; F184-Y302 HydrophobicContact CE1-CE1 3.97Å; S186-Y302 WeakPolarHBondContact CB-OH 3.32Å; S186-Y302 PolarHBondContact OG-OH 3.46Å; P249-Y302 HydrophobicContact CG-CE2 4.38Å; H256-Y302 AromaticContact CE1-CE2 3.32Å; H256-Y302 WeakPolarHBondContact CE1-CE2 2.77Å; H256-Y302 AromaticContact CE1-CZ 3.86Å; H256-Y302 AromaticContact NE2-CD2 3.95Å; H256-Y302 AromaticContact NE2-CE2 3.51Å; Q298-Y302 VanDerWaalsContact O-CB 3.27Å; Q298-Y302 WeakPolarHBondContact O-CB 3.27Å; Q298-Y302 PolarHBondContact O-N 2.93Å; F299-Y302 PolarHBondContact O-N 3.44Å; S300-Y302 VanDerWaalsContact C-N 3.28Å; S300-Y302 PolarHBondContact O-N 3.33Å; Y302-R304 VanDerWaalsContact C-N 3.25Å; Y302-R304 PolarHBondContact O-N 2.9Å; Y302-N305 PolarHBondContact O-N 2.88Å; Y302-C306 WeakPolarHBondContact O-CB 3.22Å; Y302-C306 PolarHBondContact O-N 3.39Å; Y302-C306 PolarHBondContact O-SG 2.97Å |
| 303 | L | 59.8 | Low | 53.2 | Low | 72 Ų | 72 | 87.3 Ų | 87.3 | 38% | 0.377 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 172.5 | -73.6 | 171.8 | 0 | 0 | 0 | 110.7 | F184 F299 N305 C306 E307 | F184-L303 HydrophobicContact CE1-CD2 3.98Å; F184-L303 HydrophobicContact CZ-CD2 4.03Å; F299-L303 HydrophobicContact CD1-CD1 4.39Å; F299-L303 WeakPolarHBondContact O-CG 2.82Å; F299-L303 PolarHBondContact O-N 2.79Å; L303-N305 PolarHBondContact O-N 3.14Å; L303-C306 PolarHBondContact O-N 3.24Å; L303-E307 WeakPolarHBondContact O-CB 3.14Å; L303-E307 VanDerWaalsContact O-CG 3.31Å; L303-E307 WeakPolarHBondContact O-CG 3.15Å; L303-E307 PolarHBondContact O-N 3.45Å |
| 304 | R | 56.9 | Low | 54.1 | Low | 173 Ų | 173 | 86.3 Ų | 86.3 | 65% | 0.653 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.4 | -39.9 | 177 | -161.7 | 176.8 | -157.4 | -177.5 | 5.7 | 113.3 | S300 Y302 N308 | S300-R304 VanDerWaalsContact O-CB 3.28Å; S300-R304 WeakPolarHBondContact O-CB 3.11Å; S300-R304 PolarHBondContact O-N 3.46Å; Y302-R304 VanDerWaalsContact C-N 3.25Å; Y302-R304 PolarHBondContact O-N 2.9Å; R304-N308 WeakPolarHBondContact O-CB 3.25Å; R304-N308 PolarHBondContact O-N 2.97Å; R304-N308 PolarHBondContact O-ND2 2.88Å; R304-N308 VanDerWaalsContact O-ND2 3.14Å |
| 305 | N | 56.5 | Low | 54.5 | Low | 84 Ų | 84 | 88 Ų | 88 | 45% | 0.449 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.8 | -37.6 | 175.8 | -75.1 | -16.3 | 0 | 0 | 0 | 111.7 | S301 Y302 L303 N308 L309 | S301-N305 WeakPolarHBondContact O-CB 3.04Å; S301-N305 PolarHBondContact O-N 3.18Å; S301-N305 PolarHBondContact O-ND2 3.37Å; Y302-N305 PolarHBondContact O-N 2.88Å; L303-N305 PolarHBondContact O-N 3.14Å; N305-N308 PolarHBondContact O-N 3.4Å; N305-L309 WeakPolarHBondContact O-CB 3.49Å; N305-L309 VanDerWaalsContact O-CG 3.3Å; N305-L309 WeakPolarHBondContact O-CG 3.39Å; N305-L309 PolarHBondContact O-N 2.75Å |
| 306 | C | 55.1 | Low | 54.7 | Low | 10 Ų | 10 | 86.6 Ų | 86.6 | 7% | 0.068 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 174.9 | -64.3 | 0 | 0 | 0 | 0 | 111 | S186 Y302 L303 N308 L309 T310 | S186-C306 WeakPolarHBondContact O-CB 3.31Å; Y302-C306 WeakPolarHBondContact O-CB 3.22Å; Y302-C306 PolarHBondContact O-N 3.39Å; Y302-C306 PolarHBondContact O-SG 2.97Å; L303-C306 PolarHBondContact O-N 3.24Å; C306-N308 VanDerWaalsContact C-N 3.34Å; C306-N308 PolarHBondContact O-N 2.85Å; C306-L309 PolarHBondContact O-N 3.22Å; C306-L309 VanDerWaalsContact O-N 3.1Å; C306-T310 PolarHBondContact O-N 3.4Å; C306-T310 PolarHBondContact O-OG1 3.33Å |
| 307 | E | 59.3 | Low | 54.8 | Low | 126 Ų | 126 | 85 Ų | 85 | 59% | 0.589 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56 | -47.3 | 172.6 | -77.6 | 177.5 | 172.3 | 0 | 0 | 111.2 | L303 L309 T310 Y311 | L303-E307 WeakPolarHBondContact O-CB 3.14Å; L303-E307 VanDerWaalsContact O-CG 3.31Å; L303-E307 WeakPolarHBondContact O-CG 3.15Å; L303-E307 PolarHBondContact O-N 3.45Å; E307-L309 VanDerWaalsContact C-N 3.33Å; E307-L309 PolarHBondContact O-N 3.27Å; E307-T310 VanDerWaalsContact CA-OG1 3.23Å; E307-T310 WeakPolarHBondContact CA-OG1 3.32Å; E307-T310 PolarHBondContact O-N 3.21Å; E307-T310 PolarHBondContact O-OG1 3.12Å; E307-Y311 WeakPolarHBondContact O-CB 3.31Å; E307-Y311 PolarHBondContact O-N 2.91Å |
| 308 | N | 58 | Low | 54.7 | Low | 80 Ų | 80 | 83 Ų | 83 | 43% | 0.428 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.8 | -37.2 | 175.6 | -75.4 | -29.1 | 0 | 0 | 0 | 112.5 | R304 N305 C306 Y311 L312 | R304-N308 WeakPolarHBondContact O-CB 3.25Å; R304-N308 PolarHBondContact O-N 2.97Å; R304-N308 PolarHBondContact O-ND2 2.88Å; R304-N308 VanDerWaalsContact O-ND2 3.14Å; N305-N308 PolarHBondContact O-N 3.4Å; C306-N308 VanDerWaalsContact C-N 3.34Å; C306-N308 PolarHBondContact O-N 2.85Å; N308-Y311 PolarHBondContact O-N 2.81Å; N308-L312 VanDerWaalsContact O-CB 3.31Å; N308-L312 WeakPolarHBondContact O-CB 3.19Å; N308-L312 VanDerWaalsContact O-CG 3.24Å; N308-L312 WeakPolarHBondContact O-CG 3.3Å; N308-L312 PolarHBondContact O-N 2.91Å |
| 309 | L | 58 | Low | 54.5 | Low | 55 Ų | 55 | 80.8 Ų | 80.8 | 29% | 0.288 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72 | -41.2 | 176.1 | -75.1 | 170.2 | 0 | 0 | 0 | 112 | N305 C306 E307 Y311 L312 H313 | N305-L309 WeakPolarHBondContact O-CB 3.49Å; N305-L309 VanDerWaalsContact O-CG 3.3Å; N305-L309 WeakPolarHBondContact O-CG 3.39Å; N305-L309 PolarHBondContact O-N 2.75Å; C306-L309 PolarHBondContact O-N 3.22Å; C306-L309 VanDerWaalsContact O-N 3.1Å; E307-L309 VanDerWaalsContact C-N 3.33Å; E307-L309 PolarHBondContact O-N 3.27Å; L309-Y311 VanDerWaalsContact C-N 3.3Å; L309-L312 PolarHBondContact O-N 3.01Å; L309-H313 VanDerWaalsContact O-CB 3.23Å; L309-H313 WeakPolarHBondContact O-CB 3.47Å; L309-H313 PolarHBondContact O-N 3.05Å |
| 310 | T | 58.3 | Low | 54.3 | Low | 64 Ų | 64 | 80.6 Ų | 80.6 | 39% | 0.393 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.6 | -36.4 | 171.1 | 38.2 | 0 | 0 | 0 | 0 | 111.8 | C306 E307 S314 | C306-T310 PolarHBondContact O-N 3.4Å; C306-T310 PolarHBondContact O-OG1 3.33Å; E307-T310 VanDerWaalsContact CA-OG1 3.23Å; E307-T310 WeakPolarHBondContact CA-OG1 3.32Å; E307-T310 PolarHBondContact O-N 3.21Å; E307-T310 PolarHBondContact O-OG1 3.12Å; T310-S314 VanDerWaalsContact O-CB 3.32Å; T310-S314 WeakPolarHBondContact O-CB 3.31Å; T310-S314 PolarHBondContact O-N 3.06Å; T310-S314 PolarHBondContact O-OG 3.33Å |
| 311 | Y | 55.3 | Low | 53.6 | Low | 133 Ų | 133 | 86.5 Ų | 86.5 | 52% | 0.522 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.1 | -49.3 | 174.3 | -176.3 | -91.6 | 0 | 0 | 0 | 110.6 | E307 N308 L309 H313 S314 H315 | E307-Y311 WeakPolarHBondContact O-CB 3.31Å; E307-Y311 PolarHBondContact O-N 2.91Å; N308-Y311 PolarHBondContact O-N 2.81Å; L309-Y311 VanDerWaalsContact C-N 3.3Å; Y311-H313 PolarHBondContact O-N 3.07Å; Y311-S314 WeakPolarHBondContact CA-OG 3.38Å; Y311-S314 PolarHBondContact O-N 3.03Å; Y311-S314 PolarHBondContact O-OG 3.3Å; Y311-H315 AromaticContact CE1-CD2 3.38Å; Y311-H315 WeakPolarHBondContact CE1-CD2 3.37Å; Y311-H315 AromaticContact CE1-NE2 3.98Å; Y311-H315 AromaticContact CE2-CD2 3.92Å; Y311-H315 AromaticContact CZ-CD2 3.28Å; Y311-H315 AromaticContact CZ-NE2 3.58Å; Y311-H315 WeakPolarHBondContact O-CB 3.33Å; Y311-H315 PolarHBondContact O-N 3.1Å; Y311-H315 PolarHBondContact OH-CD2 3.07Å; Y311-H315 PolarHBondContact OH-NE2 3.33Å; Y311-H315 VanDerWaalsContact OH-NE2 3.07Å |
| 312 | L | 56.3 | Low | 52.7 | Low | 97 Ų | 97 | 93.4 Ų | 93.4 | 51% | 0.508 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 175.9 | -76.5 | 171.6 | 0 | 0 | 0 | 111.8 | N308 L309 H315 L316 | N308-L312 VanDerWaalsContact O-CB 3.31Å; N308-L312 WeakPolarHBondContact O-CB 3.19Å; N308-L312 VanDerWaalsContact O-CG 3.24Å; N308-L312 WeakPolarHBondContact O-CG 3.3Å; N308-L312 PolarHBondContact O-N 2.91Å; L309-L312 PolarHBondContact O-N 3.01Å; L312-H315 PolarHBondContact O-N 3.26Å; L312-L316 VanDerWaalsContact O-CB 3.25Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 WeakPolarHBondContact O-CD1 3.09Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 3.37Å |
| 313 | H | 53.6 | Low | 51.6 | Low | 81 Ų | 81 | 97.5 Ų | 97.5 | 38% | 0.375 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 176.4 | -172.1 | -94.8 | 0 | 0 | 0 | 111.3 | K189 L309 Y311 L317 | K189-H313 PolarHBondContact NZ-NE2 2.9Å; L309-H313 VanDerWaalsContact O-CB 3.23Å; L309-H313 WeakPolarHBondContact O-CB 3.47Å; L309-H313 PolarHBondContact O-N 3.05Å; Y311-H313 PolarHBondContact O-N 3.07Å; H313-L317 WeakPolarHBondContact CE1-CD1 3.24Å; H313-L317 WeakPolarHBondContact ND1-CD1 3.38Å; H313-L317 VanDerWaalsContact O-CB 3.29Å; H313-L317 WeakPolarHBondContact O-CB 3.47Å; H313-L317 WeakPolarHBondContact O-CG 3.29Å; H313-L317 PolarHBondContact O-N 3.27Å |
| 314 | S | 57.5 | Low | 50.5 | Low | 62 Ų | 62 | 98.7 Ų | 98.7 | 43% | 0.434 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.1 | -34.5 | 175 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | T310 Y311 S318 | T310-S314 VanDerWaalsContact O-CB 3.32Å; T310-S314 WeakPolarHBondContact O-CB 3.31Å; T310-S314 PolarHBondContact O-N 3.06Å; T310-S314 PolarHBondContact O-OG 3.33Å; Y311-S314 WeakPolarHBondContact CA-OG 3.38Å; Y311-S314 PolarHBondContact O-N 3.03Å; Y311-S314 PolarHBondContact O-OG 3.3Å; S314-S318 WeakPolarHBondContact O-CB 3.33Å; S314-S318 PolarHBondContact O-N 3.33Å |
| 315 | H | 50.3 | Low | 49.4 | Very low | 95 Ų | 95 | 98.2 Ų | 98.2 | 44% | 0.44 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.9 | -40.8 | 174.7 | -119.7 | -82.3 | 0 | 0 | 0 | 112.3 | Y311 L312 S318 S319 | Y311-H315 AromaticContact CE1-CD2 3.38Å; Y311-H315 WeakPolarHBondContact CE1-CD2 3.37Å; Y311-H315 AromaticContact CE1-NE2 3.98Å; Y311-H315 AromaticContact CE2-CD2 3.92Å; Y311-H315 AromaticContact CZ-CD2 3.28Å; Y311-H315 AromaticContact CZ-NE2 3.58Å; Y311-H315 WeakPolarHBondContact O-CB 3.33Å; Y311-H315 PolarHBondContact O-N 3.1Å; Y311-H315 PolarHBondContact OH-CD2 3.07Å; Y311-H315 PolarHBondContact OH-NE2 3.33Å; Y311-H315 VanDerWaalsContact OH-NE2 3.07Å; L312-H315 PolarHBondContact O-N 3.26Å; H315-S318 CarbonylContact O-C 3.45Å; H315-S318 PolarHBondContact O-N 3.05Å; H315-S318 VanDerWaalsContact O-N 3.13Å; H315-S319 VanDerWaalsContact O-CB 3.29Å; H315-S319 WeakPolarHBondContact O-CB 3.28Å; H315-S319 PolarHBondContact O-N 3.1Å; H315-S319 PolarHBondContact O-OG 3.1Å |
| 316 | L | 46.2 | Very low | 48.4 | Very low | 119 Ų | 119 | 105 Ų | 105 | 62% | 0.623 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.9 | -38.9 | 176.2 | -71.8 | 168.6 | 0 | 0 | 0 | 111.5 | L312 S318 S319 G320 | L312-L316 VanDerWaalsContact O-CB 3.25Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 WeakPolarHBondContact O-CD1 3.09Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 3.37Å; L316-S318 VanDerWaalsContact C-N 3.27Å; L316-S318 PolarHBondContact O-N 3.19Å; L316-S319 PolarHBondContact O-N 3.13Å; L316-S319 PolarHBondContact O-OG 3.34Å; L316-G320 PolarHBondContact O-N 3.16Å; L316-G320 VanDerWaalsContact O-N 3.11Å |
| 317 | L | 48.2 | Very low | 47.3 | Very low | 95 Ų | 95 | 108.5 Ų | 108.5 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70.2 | -22.5 | 170 | -69.9 | 175.1 | 0 | 0 | 0 | 112.9 | H313 | H313-L317 WeakPolarHBondContact CE1-CD1 3.24Å; H313-L317 WeakPolarHBondContact ND1-CD1 3.38Å; H313-L317 VanDerWaalsContact O-CB 3.29Å; H313-L317 WeakPolarHBondContact O-CB 3.47Å; H313-L317 WeakPolarHBondContact O-CG 3.29Å; H313-L317 PolarHBondContact O-N 3.27Å |
| 318 | S | 47.4 | Very low | 46.3 | Very low | 56 Ų | 56 | 108.2 Ų | 108.2 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -88.6 | -22.5 | 175 | -170.3 | 0 | 0 | 0 | 0 | 113.1 | S314 H315 L316 R322 | S314-S318 WeakPolarHBondContact O-CB 3.33Å; S314-S318 PolarHBondContact O-N 3.33Å; H315-S318 CarbonylContact O-C 3.45Å; H315-S318 PolarHBondContact O-N 3.05Å; H315-S318 VanDerWaalsContact O-N 3.13Å; L316-S318 VanDerWaalsContact C-N 3.27Å; L316-S318 PolarHBondContact O-N 3.19Å; S318-R322 PolarHBondContact OG-NH2 3.34Å |
| 319 | S | 46.8 | Very low | 45.1 | Very low | 92 Ų | 92 | 111.4 Ų | 111.4 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -100.1 | -1.1 | 179.5 | 69.1 | 0 | 0 | 0 | 0 | 113.5 | H315 L316 | H315-S319 VanDerWaalsContact O-CB 3.29Å; H315-S319 WeakPolarHBondContact O-CB 3.28Å; H315-S319 PolarHBondContact O-N 3.1Å; H315-S319 PolarHBondContact O-OG 3.1Å; L316-S319 PolarHBondContact O-N 3.13Å; L316-S319 PolarHBondContact O-OG 3.34Å |
| 320 | G | 48.7 | Very low | 43.9 | Very low | 40 Ų | 40 | 114.7 Ų | 114.7 | 41% | 0.412 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -149.2 | 112.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L316 | L316-G320 PolarHBondContact O-N 3.16Å; L316-G320 VanDerWaalsContact O-N 3.11Å |
| 321 | F | 42 | Very low | 42.8 | Very low | 206 Ų | 206 | 122.6 Ų | 122.6 | 90% | 0.904 | 65% | 0.652 | S | S | * | * | trans | 50.5 | 91.5 | 171.4 | -90.6 | -95.3 | 0 | 0 | 0 | 116.5 | S323 | F321-S323 PolarHBondContact O-N 3.26Å; F321-S323 VanDerWaalsContact O-N 3.08Å | ||
| 322 | R | 37.2 | Very low | 41.7 | Very low | 202 Ų | 202 | 125.1 Ų | 125.1 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | trans | -75.1 | 91.3 | 159.5 | -74.3 | -176.7 | -177.5 | -120.7 | 1.1 | 109.7 | S318 | S318-R322 PolarHBondContact OG-NH2 3.34Š| ||
| 323 | S | 32.5 | Very low | 40.8 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | trans | -83.5 | 115.3 | 155.8 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | F321 I325 | F321-S323 PolarHBondContact O-N 3.26Å; F321-S323 VanDerWaalsContact O-N 3.08Å; S323-I325 PolarHBondContact O-N 3.35Å | ||
| 324 | A | 36.9 | Very low | 40.1 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | -87.9 | 100.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 325 | I | 32.5 | Very low | 39.2 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | trans | -100.1 | 105.2 | 156.6 | -60.1 | 177 | 0 | 0 | 0 | 106.5 | S323 | S323-I325 PolarHBondContact O-N 3.35Š| ||
| 326 | R | 35.8 | Very low | 38.6 | Very low | 228 Ų | 228 | 137 Ų | 137 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -97 | 117.2 | 175.9 | -152.9 | 177.5 | -172.1 | -173.6 | 1.7 | 107.5 | ||
| 327 | A | 33.1 | Very low | 38.2 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 156.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 328 | P | 37.6 | Very low | 37.5 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 135.1 | -164.5 | 32.8 | -32.1 | 0 | 0 | 0 | 112.3 | ||
| 329 | L | 33.3 | Very low | 36.9 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | -86.6 | 107 | 161.9 | -94.6 | 142.8 | 0 | 0 | 0 | 107.9 | W331 | L329-W331 PolarHBondContact O-N 3.28Š| ||
| 330 | C | 31.8 | Very low | 36.2 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -64.6 | 124.2 | 163.6 | -79.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 331 | W | 36.3 | Very low | 35.2 | Very low | 231 Ų | 231 | 158.8 Ų | 158.8 | 88% | 0.875 | 86% | 0.861 | S | S | * | * | trans | -98.8 | 129.8 | 157.6 | -78.6 | 55.4 | 0 | 0 | 0 | 107.8 | L329 | L329-W331 PolarHBondContact O-N 3.28Š| ||
| 332 | M | 32 | Very low | 34.7 | Very low | 186 Ų | 186 | 154.8 Ų | 154.8 | 92% | 0.916 | 86% | 0.857 | S | S | * | * | trans | -148.6 | 112.3 | 147.1 | -77.1 | -159.6 | -179.1 | 0 | 0 | 105.1 | ||||
| 333 | A | 36.9 | Very low | 34.4 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 100% | 1.43 | 87% | 0.866 | S | S | * | * | 79.1 | 0 | 91.4 | 0 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 333 of 333 residues in 234.7 ms
(Link to these results)