| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.4 | Very low | 33.7 | Very low | 241 Ų | 241 | 158.1 Ų | 158.1 | 100% | 1.187 | 84% | 0.837 | S | S | * | * | 0 | 97 | 0 | -62.1 | 160.8 | -176.9 | 0 | 0 | 105.6 | |||||
| 2 | A | 33.6 | Very low | 33.2 | Very low | 93 Ų | 93 | 165 Ų | 165 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | 74.9 | 126.1 | 74.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 3 | M | 33.5 | Very low | 33 | Very low | 174 Ų | 174 | 168.9 Ų | 168.9 | 86% | 0.857 | 85% | 0.851 | S | S | * | * | cis | -155.2 | 138.7 | -6 | -96.9 | 176.9 | -177 | 0 | 0 | 110.4 | ||||
| 4 | L | 32.2 | Very low | 32.7 | Very low | 167 Ų | 167 | 162.4 Ų | 162.4 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | 32.3 | 156 | 133.7 | -65.9 | 171 | 0 | 0 | 0 | 124.5 | ||||
| 5 | P | 41.8 | Very low | 32.4 | Very low | 105 Ų | 105 | 167.7 Ų | 167.7 | 68% | 0.682 | 84% | 0.841 | S | S | * | * | trans | -115.9 | 174.4 | -165 | 44 | -34 | 0 | 0 | 0 | 116.2 | ||||
| 6 | N | 34.7 | Very low | 32.4 | Very low | 144 Ų | 144 | 172.6 Ų | 172.6 | 77% | 0.77 | 85% | 0.846 | S | S | * | * | trans | -178 | 162.9 | 160.6 | -98.6 | -62.3 | 0 | 0 | 0 | 107.2 | ||||
| 7 | R | 33.6 | Very low | 32.2 | Very low | 203 Ų | 203 | 173.9 Ų | 173.9 | 77% | 0.766 | 85% | 0.847 | S | S | * | * | cis | -165.6 | 149.8 | 1.7 | -133.3 | 159 | -167 | -158.5 | 2.6 | 108.6 | ||||
| 8 | H | 31.2 | Very low | 32.1 | Very low | 180 Ų | 180 | 170.7 Ų | 170.7 | 83% | 0.833 | 85% | 0.845 | S | S | * | * | trans | 48.3 | 152.7 | 141.2 | -79.6 | -134.4 | 0 | 0 | 0 | 121.4 | ||||
| 9 | S | 33.4 | Very low | 32.1 | Very low | 99 Ų | 99 | 166.2 Ų | 166.2 | 69% | 0.692 | 84% | 0.837 | S | S | * | * | cis | -161 | 149.7 | 6.6 | 48 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 10 | R | 28.8 | Very low | 32.1 | Very low | 254 Ų | 254 | 166.6 Ų | 166.6 | 96% | 0.958 | 84% | 0.84 | S | S | * | * | trans | 19.2 | 127.1 | 144 | -62.1 | 177.6 | 175.8 | 172 | -1.8 | 120.5 | ||||
| 11 | G | 31.5 | Very low | 32 | Very low | 79 Ų | 79 | 168 Ų | 168 | 81% | 0.814 | 84% | 0.835 | S | S | * | * | trans | -153.6 | 138.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 12 | R | 27.2 | Very low | 31.8 | Very low | 241 Ų | 241 | 160.9 Ų | 160.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -122.9 | 135.6 | 179.1 | -76.3 | 177 | 169.4 | 171.9 | -4.8 | 110 | ||||
| 13 | F | 31.7 | Very low | 31.7 | Very low | 216 Ų | 216 | 164 Ų | 164 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | trans | -159.1 | 162.9 | 142.8 | -110.4 | -74 | 0 | 0 | 0 | 111.1 | ||||
| 14 | A | 28.6 | Very low | 31.4 | Very low | 77 Ų | 77 | 164 Ų | 164 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | -158.3 | 159.8 | -127.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 15 | R | 28.6 | Very low | 31.4 | Very low | 243 Ų | 243 | 163.2 Ų | 163.2 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | 72.2 | 156.4 | 174.5 | -56.2 | 175.7 | 172.1 | 176.8 | -4.8 | 112.8 | ||||
| 16 | R | 31.7 | Very low | 30.8 | Very low | 245 Ų | 245 | 165.8 Ų | 165.8 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | cis | -125.1 | 174.8 | 18.5 | -71.2 | 177.2 | 169.4 | 179 | -4.4 | 114.1 | ||||
| 17 | K | 28.3 | Very low | 30.5 | Very low | 196 Ų | 196 | 165.3 Ų | 165.3 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | -126.9 | 173.8 | 178.1 | -109.5 | -167.1 | 178.7 | -171.1 | 0 | 109.7 | ||||
| 18 | S | 32 | Very low | 30.2 | Very low | 116 Ų | 116 | 159.9 Ų | 159.9 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | 82 | 152.1 | 158.7 | -54.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 19 | A | 31.5 | Very low | 30.2 | Very low | 85 Ų | 85 | 161.1 Ų | 161.1 | 70% | 0.702 | 82% | 0.816 | S | S | * | * | cis | -177.8 | 167.5 | -22.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 20 | I | 31.9 | Very low | 30.1 | Very low | 174 Ų | 174 | 160.2 Ų | 160.2 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | -173.8 | 155.1 | 145.1 | -100.9 | 153.8 | 0 | 0 | 0 | 111.2 | ||||
| 21 | R | 30.4 | Very low | 30 | Very low | 197 Ų | 197 | 160 Ų | 160 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | trans | -95.1 | -167.8 | 179 | -60.5 | -178.1 | 173.9 | 172.5 | -5.4 | 110.6 | P874 | R21-P874 PolarHBondContact NH1-O 3.44Š| ||
| 22 | L | 30.8 | Very low | 30.2 | Very low | 91 Ų | 91 | 161.1 Ų | 161.1 | 48% | 0.476 | 81% | 0.807 | S | S | . | * | cis | -161.5 | 146 | 13.7 | -165.2 | 70.8 | 0 | 0 | 0 | 107.3 | P874 | L22-P874 HydrophobicContact CD2-CB 4.18Š| ||
| 23 | L | 31.6 | Very low | 30.3 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | 174 | 160.2 | 99.5 | -95.2 | 166.8 | 0 | 0 | 0 | 111.9 | |||||
| 24 | M | 28.7 | Very low | 30.2 | Very low | 175 Ų | 175 | 154.2 Ų | 154.2 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | trans | -129.5 | 153.3 | -179.8 | -61.4 | -175.7 | -79.1 | 0 | 0 | 111.7 | ||||
| 25 | V | 32.5 | Very low | 30.3 | Very low | 151 Ų | 151 | 155.3 Ų | 155.3 | 92% | 0.915 | 80% | 0.803 | S | S | * | * | trans | -142.6 | 149.5 | 142.9 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 26 | L | 28.3 | Very low | 30.5 | Very low | 159 Ų | 159 | 151.8 Ų | 151.8 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -80 | 151.6 | -170.5 | -59.2 | 158.4 | 0 | 0 | 0 | 114.6 | ||||
| 27 | C | 28.2 | Very low | 30.9 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 90% | 0.899 | 79% | 0.794 | S | S | * | * | -158.5 | 156.5 | 125.1 | -147.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 28 | S | 27.9 | Very low | 31.3 | Very low | 89 Ų | 89 | 143.9 Ų | 143.9 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | -125.2 | 147.4 | -169.3 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 29 | F | 31.3 | Very low | 31.8 | Very low | 206 Ų | 206 | 144.3 Ų | 144.3 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | 167.6 | 109.6 | 127.3 | -95.3 | -68.3 | 0 | 0 | 0 | 113.4 | |||||
| 30 | A | 30.4 | Very low | 32 | Very low | 80 Ų | 80 | 145 Ų | 145 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | 42 | 130.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 31 | W | 28.2 | Very low | 32.1 | Very low | 249 Ų | 249 | 144.1 Ų | 144.1 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | 176.3 | 156.9 | 99.6 | -95.9 | 75 | 0 | 0 | 0 | 108.9 | |||||
| 32 | P | 34.2 | Very low | 32.2 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -111.8 | 139 | -156.6 | 38.6 | -31.2 | 0 | 0 | 0 | 118.3 | ||||
| 33 | T | 29.2 | Very low | 32.3 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 27.6 | 123.4 | 143.8 | 60.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 34 | F | 29.7 | Very low | 32.3 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | -144.2 | 134.2 | 129.3 | -100.5 | -80.7 | 0 | 0 | 0 | 109.7 | F36 | F34-F36 HydrophobicContact CB-CE2 4.48Å; F34-F36 AromaticContact CD1-CE2 3.66Å; F34-F36 HydrophobicContact CD1-CE2 3.66Å; F34-F36 AromaticContact CD1-CZ 3.72Å; F34-F36 HydrophobicContact CD1-CZ 3.72Å; F34-F36 HydrophobicContact CE1-CE2 4.34Å; F34-F36 AromaticContact CE1-CZ 3.94Å; F34-F36 HydrophobicContact CE1-CZ 3.94Å; F34-F36 HydrophobicContact CG-CE2 4.37Å | |||
| 35 | A | 30.4 | Very low | 32.7 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -146.7 | 109.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 36 | F | 33.5 | Very low | 32.6 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 75% | 0.746 | 77% | 0.774 | S | S | * | * | trans | -85.2 | 142.6 | 179.9 | -71.8 | -86.4 | 0 | 0 | 0 | 110.9 | F34 | F34-F36 HydrophobicContact CB-CE2 4.48Å; F34-F36 AromaticContact CD1-CE2 3.66Å; F34-F36 HydrophobicContact CD1-CE2 3.66Å; F34-F36 AromaticContact CD1-CZ 3.72Å; F34-F36 HydrophobicContact CD1-CZ 3.72Å; F34-F36 HydrophobicContact CE1-CE2 4.34Å; F34-F36 AromaticContact CE1-CZ 3.94Å; F34-F36 HydrophobicContact CE1-CZ 3.94Å; F34-F36 HydrophobicContact CG-CE2 4.37Å | ||
| 37 | R | 41 | Very low | 32.9 | Very low | 238 Ų | 238 | 144.5 Ų | 144.5 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -130.6 | 131.9 | -179.2 | -166.2 | 178.8 | -167.9 | 179.9 | 3.6 | 107.2 | ||||
| 38 | C | 36.7 | Very low | 33.3 | Very low | 36 Ų | 36 | 146.4 Ų | 146.4 | 24% | 0.243 | 78% | 0.775 | C | S | . | * | trans | -53.8 | 133.1 | 176.8 | -54.8 | 0 | 0 | 0 | 0 | 109.4 | C58 | C38-C58 HydrophobicContact CB-CB 4.11Å; C38-C58 WeakPolarHBondContact CB-SG 3.33Å; C38-C58 WeakPolarHBondContact SG-CB 3.43Å; C38-C58 CovalentContact SG-SG 2.05Å; C38-C58 PolarHBondContact SG-SG 3.13Å | ||
| 39 | P | 41.2 | Very low | 33.9 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -59.5 | 139 | -178.9 | -24.6 | 34.6 | 0 | 0 | 0 | 111.9 | ||||
| 40 | A | 36.1 | Very low | 34.3 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | -104.8 | 84 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 41 | D | 34.4 | Very low | 35 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | trans | -138.2 | 147.6 | 170.7 | -97.5 | -54.1 | 0 | 0 | 0 | 111.2 | ||||
| 42 | V | 31.9 | Very low | 36 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 75 | 106.1 | 177.2 | -165.7 | 0 | 0 | 0 | 0 | 118 | ||
| 43 | N | 32.3 | Very low | 36.1 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | trans | 76.9 | 131 | 160.7 | -103.5 | -0.4 | 0 | 0 | 0 | 121 | ||||
| 44 | P | 32.7 | Very low | 36.6 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 81% | 0.805 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -104.5 | 29.1 | -165 | 43.4 | -39.9 | 0 | 0 | 0 | 116.4 | ||
| 45 | E | 36.1 | Very low | 37.5 | Very low | 157 Ų | 157 | 126 Ų | 126 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -111 | -3.2 | -172.1 | -73.5 | -163.8 | 136.1 | 0 | 0 | 116.7 | ||
| 46 | F | 31.9 | Very low | 38.2 | Very low | 184 Ų | 184 | 129 Ų | 129 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | trans | -134.6 | 128.8 | -174.9 | -65.9 | -85.7 | 0 | 0 | 0 | 113 | ||||
| 47 | E | 34.6 | Very low | 38.8 | Very low | 193 Ų | 193 | 129.5 Ų | 129.5 | 90% | 0.902 | 67% | 0.666 | S | S | * | * | trans | -90.5 | 157.3 | 177.5 | -64.8 | -173.4 | 121.6 | 0 | 0 | 112.3 | ||||
| 48 | M | 36.4 | Very low | 39 | Very low | 172 Ų | 172 | 121 Ų | 121 | 85% | 0.847 | 64% | 0.643 | S | S | * | * | trans | 64.2 | 106.9 | 173.7 | -64.2 | -179.6 | 61.2 | 0 | 0 | 117.4 | ||||
| 49 | S | 39.4 | Very low | 39.4 | Very low | 76 Ų | 76 | 122.8 Ų | 122.8 | 53% | 0.531 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 150.7 | 149.5 | 51.8 | 0 | 0 | 0 | 0 | 108.6 | I59 | S49-I59 WeakPolarHBondContact CA-O 3.43Å; S49-I59 WeakPolarHBondContact CB-O 3.21Å |
| 50 | Y | 41.2 | Very low | 39.6 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 52% | 0.518 | 64% | 0.64 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.7 | 149.3 | 174.6 | 107.4 | -91.9 | 0 | 0 | 0 | 110.7 | D52 C58 I59 | Y50-D52 HydrophobicContact CE2-CB 3.9Å; Y50-C58 CarbonylContact O-C 3.48Å; Y50-C58 WeakPolarHBondContact O-CA 3.4Å; Y50-I59 HydrophobicContact CD1-CB 4.01Å; Y50-I59 HydrophobicContact CD1-CG2 4.48Å; Y50-I59 HydrophobicContact CE1-CB 3.96Å; Y50-I59 HydrophobicContact CE1-CD1 3.75Å; Y50-I59 HydrophobicContact CE1-CG1 4.3Å; Y50-I59 HydrophobicContact CE1-CG2 4.32Å; Y50-I59 PolarHBondContact N-O 3.42Å; Y50-I59 PolarHBondContact O-N 2.58Å |
| 51 | Y | 43.8 | Very low | 39.7 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 45% | 0.451 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.1 | 175.7 | 178.9 | -90.5 | 0 | 0 | 0 | 109.2 | ||
| 52 | D | 49 | Very low | 39.6 | Very low | 24 Ų | 24 | 125.3 Ų | 125.3 | 13% | 0.128 | 63% | 0.633 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.6 | 111.8 | 175.5 | -179.4 | 21.4 | 0 | 0 | 0 | 111 | Y50 N54 S55 E56 R57 I59 | Y50-D52 HydrophobicContact CE2-CB 3.9Å; D52-N54 PolarHBondContact O-N 2.85Å; D52-N54 WeakPolarHBondContact OD1-CB 3.32Å; D52-N54 PolarHBondContact OD1-N 3.08Å; D52-S55 PolarHBondContact O-N 2.89Å; D52-S55 WeakPolarHBondContact OD2-CB 3.42Å; D52-S55 PolarHBondContact OD2-N 2.98Å; D52-S55 PolarHBondContact OD2-OG 2.8Å; D52-E56 PolarHBondContact O-N 2.85Å; D52-R57 PolarHBondContact N-O 3.26Å; D52-I59 HydrophobicContact CB-CD1 4.05Å |
| 53 | S | 36.4 | Very low | 39.6 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 56% | 0.559 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -19.4 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 54 | N | 39.9 | Very low | 39.4 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -10.6 | -175.2 | -62.4 | -7.1 | 0 | 0 | 0 | 113.1 | D52 | D52-N54 PolarHBondContact O-N 2.85Å; D52-N54 WeakPolarHBondContact OD1-CB 3.32Å; D52-N54 PolarHBondContact OD1-N 3.08Å |
| 55 | S | 48.5 | Very low | 39.3 | Very low | 48 Ų | 48 | 131.5 Ų | 131.5 | 34% | 0.336 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -131.8 | 4.1 | 176.4 | 69.3 | 0 | 0 | 0 | 0 | 115.5 | D52 R57 | D52-S55 PolarHBondContact O-N 2.89Å; D52-S55 WeakPolarHBondContact OD2-CB 3.42Å; D52-S55 PolarHBondContact OD2-N 2.98Å; D52-S55 PolarHBondContact OD2-OG 2.8Å; S55-R57 WeakPolarHBondContact O-CG 3.28Å; S55-R57 PolarHBondContact O-N 2.85Å |
| 56 | E | 46.4 | Very low | 38.7 | Very low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.9 | 33 | -179.6 | -57.8 | -169.7 | 142.7 | 0 | 0 | 113.9 | D52 | D52-E56 PolarHBondContact O-N 2.85Š|
| 57 | R | 46 | Very low | 38.5 | Very low | 180 Ų | 180 | 133 Ų | 133 | 68% | 0.679 | 66% | 0.656 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -128.8 | 144 | -172.3 | -73.1 | 164.3 | -172.4 | -142.1 | -2.1 | 112.7 | D52 S55 | D52-R57 PolarHBondContact N-O 3.26Å; S55-R57 WeakPolarHBondContact O-CG 3.28Å; S55-R57 PolarHBondContact O-N 2.85Å |
| 58 | C | 44.7 | Very low | 38.2 | Very low | 60 Ų | 60 | 129.4 Ų | 129.4 | 41% | 0.405 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.2 | 120.1 | 165.9 | -56.5 | 0 | 0 | 0 | 0 | 108.8 | C38 Y50 | C38-C58 HydrophobicContact CB-CB 4.11Å; C38-C58 WeakPolarHBondContact CB-SG 3.33Å; C38-C58 WeakPolarHBondContact SG-CB 3.43Å; C38-C58 CovalentContact SG-SG 2.05Å; C38-C58 PolarHBondContact SG-SG 3.13Å; Y50-C58 CarbonylContact O-C 3.48Å; Y50-C58 WeakPolarHBondContact O-CA 3.4Å |
| 59 | I | 45.7 | Very low | 37.7 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 37% | 0.374 | 65% | 0.65 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98 | 140.5 | -178.6 | -64.4 | 176.5 | 0 | 0 | 0 | 109.8 | S49 Y50 D52 | S49-I59 WeakPolarHBondContact CA-O 3.43Å; S49-I59 WeakPolarHBondContact CB-O 3.21Å; Y50-I59 HydrophobicContact CD1-CB 4.01Å; Y50-I59 HydrophobicContact CD1-CG2 4.48Å; Y50-I59 HydrophobicContact CE1-CB 3.96Å; Y50-I59 HydrophobicContact CE1-CD1 3.75Å; Y50-I59 HydrophobicContact CE1-CG1 4.3Å; Y50-I59 HydrophobicContact CE1-CG2 4.32Å; Y50-I59 PolarHBondContact N-O 3.42Å; Y50-I59 PolarHBondContact O-N 2.58Å; D52-I59 HydrophobicContact CB-CD1 4.05Å |
| 60 | T | 43.6 | Very low | 37.2 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.7 | 141.4 | -175.7 | 62.9 | 0 | 0 | 0 | 0 | 111.4 | R62 | T60-R62 PolarHBondContact O-N 2.72Å |
| 61 | V | 38.7 | Very low | 36.5 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 69% | 0.685 | 68% | 0.681 | S | S | * | * | trans | -89.5 | 97.3 | -174.9 | -175 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 62 | R | 32.2 | Very low | 35.7 | Very low | 219 Ų | 219 | 132.2 Ų | 132.2 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | trans | -136.4 | 109.9 | 163.5 | -71.4 | -175.9 | 178.6 | 175.8 | 1.6 | 108.5 | T60 | T60-R62 PolarHBondContact O-N 2.72Š| ||
| 63 | D | 31.7 | Very low | 34.5 | Very low | 164 Ų | 164 | 143.1 Ų | 143.1 | 88% | 0.877 | 73% | 0.734 | S | S | * | * | trans | 173.9 | -17.2 | 155.8 | -94.9 | -20.6 | 0 | 0 | 0 | 113.4 | K65 | D63-K65 PolarHBondContact O-N 3.21Š| ||
| 64 | L | 28.8 | Very low | 34 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | -70.7 | 94.9 | -178.2 | -68.1 | 172.8 | 0 | 0 | 0 | 112.9 | ||||
| 65 | K | 29.9 | Very low | 33.3 | Very low | 207 Ų | 207 | 147.3 Ų | 147.3 | 90% | 0.9 | 75% | 0.747 | S | S | * | * | trans | -64.8 | 146.2 | 171.6 | -84.3 | -178.8 | 177.5 | 172.9 | 0 | 112.2 | D63 | D63-K65 PolarHBondContact O-N 3.21Š| ||
| 66 | R | 24.2 | Very low | 32.2 | Very low | 253 Ų | 253 | 150.2 Ų | 150.2 | 96% | 0.955 | 77% | 0.768 | S | S | * | * | trans | -85.7 | 108.4 | -168.4 | -173.1 | -172.1 | -160.8 | 172.7 | 7.1 | 112 | ||||
| 67 | S | 27.6 | Very low | 31.1 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -99.8 | 143.7 | 166.1 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 68 | S | 27.8 | Very low | 30.2 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -93.8 | 128.5 | -175 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 69 | G | 26.3 | Very low | 29.3 | Very low | 77 Ų | 77 | 151.7 Ų | 151.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 172 | -34.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 70 | V | 28.3 | Very low | 28.4 | Very low | 135 Ų | 135 | 154.8 Ų | 154.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -130.2 | 130.5 | -167.8 | -172.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 71 | K | 26.9 | Very low | 27.5 | Very low | 203 Ų | 203 | 155.8 Ų | 155.8 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -93.1 | 93.9 | 161.7 | -76 | -177.7 | 177 | 178.7 | 0 | 109.1 | ||||
| 72 | N | 26.8 | Very low | 26.8 | Very low | 138 Ų | 138 | 156.1 Ų | 156.1 | 74% | 0.738 | 84% | 0.835 | S | S | * | * | trans | -172.9 | 144.2 | 153.4 | -96.3 | -19.7 | 0 | 0 | 0 | 109.4 | ||||
| 73 | W | 24.4 | Very low | 26.6 | Very low | 253 Ų | 253 | 150 Ų | 150 | 96% | 0.958 | 83% | 0.832 | S | S | * | * | trans | -89.4 | 115.7 | 174.7 | -64.3 | 74.9 | 0 | 0 | 0 | 108.7 | ||||
| 74 | I | 25.5 | Very low | 26.4 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -130.1 | 107.7 | 170 | -57.5 | 179.9 | 0 | 0 | 0 | 106.8 | ||||
| 75 | I | 25.5 | Very low | 26.3 | Very low | 150 Ų | 150 | 150 Ų | 150 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -84.8 | 126.2 | 174.5 | -61.2 | 173.8 | 0 | 0 | 0 | 107.1 | A77 | I75-A77 PolarHBondContact O-N 2.76Š| ||
| 76 | S | 24.9 | Very low | 26.2 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -72.8 | 118 | 175.6 | -170.6 | 0 | 0 | 0 | 0 | 109.7 | K78 | S76-K78 PolarHBondContact O-N 3.04Å; S76-K78 VanDerWaalsContact O-N 3.15Å | ||
| 77 | A | 24.6 | Very low | 26.3 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -83.5 | 89.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I75 | I75-A77 PolarHBondContact O-N 2.76Š| ||
| 78 | K | 25.8 | Very low | 26.2 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -130.3 | 160.3 | 152.4 | -85.8 | -173 | 170.9 | -178 | 0 | 108.8 | S76 | S76-K78 PolarHBondContact O-N 3.04Å; S76-K78 VanDerWaalsContact O-N 3.15Å | ||
| 79 | D | 26.5 | Very low | 26 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 73.1 | 37.1 | 167.7 | -45.6 | -25.4 | 0 | 0 | 0 | 118.2 | ||
| 80 | V | 26.6 | Very low | 25.9 | Very low | 137 Ų | 137 | 145 Ų | 145 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | -141 | 105.7 | 159.7 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 81 | C | 24.1 | Very low | 25.7 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | 173.1 | 105.6 | 145.2 | -106.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 82 | S | 25.3 | Very low | 25.5 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | 177.1 | 83.5 | 154.6 | 29.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 83 | A | 27 | Very low | 25.3 | Very low | 91 Ų | 91 | 149.8 Ų | 149.8 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | trans | -152.9 | 128 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 84 | S | 27 | Very low | 25.4 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -122.9 | 147.9 | -169.7 | 51.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 85 | F | 26.9 | Very low | 25.4 | Very low | 210 Ų | 210 | 145.3 Ų | 145.3 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -127.3 | 147 | 169.6 | -86.4 | -84.6 | 0 | 0 | 0 | 110.1 | ||||
| 86 | P | 28.2 | Very low | 25.4 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | trans | -96.2 | 172.1 | -165.7 | 38.2 | -37.8 | 0 | 0 | 0 | 115 | ||||
| 87 | N | 25.6 | Very low | 25.5 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | 73.5 | 79.7 | 158.8 | -61.2 | -15.5 | 0 | 0 | 0 | 119.5 | ||||
| 88 | S | 26.3 | Very low | 25.7 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | -158.2 | 134.7 | 127.4 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 89 | T | 24.3 | Very low | 25.8 | Very low | 144 Ų | 144 | 147 Ų | 147 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -87.9 | 109.7 | -176.8 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 90 | I | 23.5 | Very low | 26 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -132.2 | 150.6 | 162.8 | -61.5 | -175.5 | 0 | 0 | 0 | 108.8 | ||||
| 91 | Y | 23.6 | Very low | 26.2 | Very low | 223 Ų | 223 | 139.7 Ų | 139.7 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | trans | -51.7 | 148.6 | -162.6 | -69 | -92.4 | 0 | 0 | 0 | 117.7 | ||||
| 92 | S | 22.9 | Very low | 26.5 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | -71.2 | 133.4 | -176.5 | 54.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 93 | W | 22.9 | Very low | 26.9 | Very low | 254 Ų | 254 | 135.4 Ų | 135.4 | 96% | 0.962 | 74% | 0.736 | S | S | * | * | trans | -135.4 | 150 | 138.6 | -75 | 93.5 | 0 | 0 | 0 | 107.9 | ||||
| 94 | T | 26.2 | Very low | 27.2 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | trans | -91.7 | 124.4 | -167.2 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | L96 | T94-L96 PolarHBondContact O-N 2.88Š| ||
| 95 | E | 24.7 | Very low | 27.5 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 92% | 0.921 | 70% | 0.703 | S | S | * | * | trans | -73.2 | 108.6 | 161.7 | -67.7 | -179.1 | 131.1 | 0 | 0 | 109.7 | ||||
| 96 | L | 25.6 | Very low | 27.8 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | trans | -140.3 | 163.9 | 171.1 | -80.6 | 168.4 | 0 | 0 | 0 | 109.1 | T94 | T94-L96 PolarHBondContact O-N 2.88Š| ||
| 97 | E | 28.6 | Very low | 28.2 | Very low | 149 Ų | 149 | 127 Ų | 127 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 81.6 | -8.7 | 168.9 | -49 | -159.6 | 140 | 0 | 0 | 120.6 | S100 I101 | E97-S100 PolarHBondContact O-N 3.4Å; E97-I101 PolarHBondContact O-N 3.3Å |
| 98 | L | 27.9 | Very low | 28.6 | Very low | 133 Ų | 133 | 123.6 Ų | 123.6 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65 | -44.3 | 179.3 | -87.3 | 168.8 | 0 | 0 | 0 | 114.6 | S100 I101 | L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 2.85Å; L98-I101 PolarHBondContact O-N 2.03Å |
| 99 | D | 27.4 | Very low | 28.9 | Very low | 149 Ų | 149 | 125 Ų | 125 | 80% | 0.797 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.5 | -28.7 | 179.7 | -63.2 | -48.9 | 0 | 0 | 0 | 113.1 | I101 S102 S103 | D99-I101 VanDerWaalsContact C-N 3.34Å; D99-I101 PolarHBondContact O-N 2.79Å; D99-S102 PolarHBondContact O-N 2.94Å; D99-S103 PolarHBondContact O-N 3.24Å |
| 100 | S | 31.1 | Very low | 29.4 | Very low | 56 Ų | 56 | 121.6 Ų | 121.6 | 39% | 0.392 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.7 | -43.4 | 177.8 | -171 | 0 | 0 | 0 | 0 | 111.3 | E97 L98 S102 S103 Q104 | E97-S100 PolarHBondContact O-N 3.4Å; L98-S100 VanDerWaalsContact C-N 3.31Å; L98-S100 PolarHBondContact O-N 2.85Å; S100-S102 PolarHBondContact O-N 3.45Å; S100-S103 PolarHBondContact O-N 2.94Å; S100-Q104 WeakPolarHBondContact O-CG 2.99Å; S100-Q104 PolarHBondContact O-N 3.04Å |
| 101 | I | 30.6 | Very low | 29.8 | Very low | 85 Ų | 85 | 122.7 Ų | 122.7 | 44% | 0.436 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.8 | -36.3 | -176.9 | -63.8 | 167.6 | 0 | 0 | 0 | 111.1 | E97 L98 D99 Q104 L105 | E97-I101 PolarHBondContact O-N 3.3Å; L98-I101 PolarHBondContact O-N 2.03Å; D99-I101 VanDerWaalsContact C-N 3.34Å; D99-I101 PolarHBondContact O-N 2.79Å; I101-Q104 PolarHBondContact O-N 3.3Å; I101-L105 HydrophobicContact CG2-CD1 3.92Å; I101-L105 HydrophobicContact CG2-CG 4.39Å; I101-L105 WeakPolarHBondContact O-CB 3.49Å; I101-L105 VanDerWaalsContact O-CG 3.31Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 2.86Å |
| 102 | S | 31.7 | Very low | 30.2 | Very low | 70 Ų | 70 | 116.5 Ų | 116.5 | 49% | 0.49 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.3 | -40.4 | 175.7 | -166.2 | 0 | 0 | 0 | 0 | 112.1 | D99 S100 L105 N106 | D99-S102 PolarHBondContact O-N 2.94Å; S100-S102 PolarHBondContact O-N 3.45Å; S102-L105 PolarHBondContact O-N 3Å; S102-N106 PolarHBondContact O-N 3.09Å; S102-N106 PolarHBondContact O-ND2 3.02Å |
| 103 | S | 32.7 | Very low | 30.5 | Very low | 84 Ų | 84 | 114.9 Ų | 114.9 | 59% | 0.587 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.6 | -50.3 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | D99 S100 L105 N106 D107 | D99-S103 PolarHBondContact O-N 3.24Å; S100-S103 PolarHBondContact O-N 2.94Å; S103-L105 PolarHBondContact O-N 3.04Å; S103-N106 PolarHBondContact O-N 2.95Å; S103-D107 PolarHBondContact O-N 3.37Å |
| 104 | Q | 33 | Very low | 31 | Very low | 112 Ų | 112 | 111 Ų | 111 | 52% | 0.523 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -35.3 | 179.8 | -68.5 | 178.8 | 8.5 | 0 | 0 | 113 | S100 I101 N106 D107 I108 | S100-Q104 WeakPolarHBondContact O-CG 2.99Å; S100-Q104 PolarHBondContact O-N 3.04Å; I101-Q104 PolarHBondContact O-N 3.3Å; Q104-N106 PolarHBondContact O-N 3.25Å; Q104-D107 PolarHBondContact O-N 2.84Å; Q104-I108 WeakPolarHBondContact O-CB 3.25Å; Q104-I108 WeakPolarHBondContact O-CD1 3.28Å; Q104-I108 WeakPolarHBondContact O-CG1 3.21Å; Q104-I108 PolarHBondContact O-N 3.34Å |
| 105 | L | 33.1 | Very low | 31.2 | Very low | 68 Ų | 68 | 109.5 Ų | 109.5 | 36% | 0.356 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.7 | -39 | 174.9 | -83.6 | 166.7 | 0 | 0 | 0 | 112.7 | I101 S102 S103 I108 Q109 | I101-L105 HydrophobicContact CG2-CD1 3.92Å; I101-L105 HydrophobicContact CG2-CG 4.39Å; I101-L105 WeakPolarHBondContact O-CB 3.49Å; I101-L105 VanDerWaalsContact O-CG 3.31Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 2.86Å; S102-L105 PolarHBondContact O-N 3Å; S103-L105 PolarHBondContact O-N 3.04Å; L105-I108 PolarHBondContact O-N 2.97Å; L105-Q109 WeakPolarHBondContact O-CG 3.36Å; L105-Q109 PolarHBondContact O-N 2.98Å |
| 106 | N | 33 | Very low | 31.5 | Very low | 97 Ų | 97 | 106.1 Ų | 106.1 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.6 | -38.5 | 176.9 | -73 | -67.3 | 0 | 0 | 0 | 112 | S102 S103 Q104 Q109 S110 | S102-N106 PolarHBondContact O-N 3.09Å; S102-N106 PolarHBondContact O-ND2 3.02Å; S103-N106 PolarHBondContact O-N 2.95Å; Q104-N106 PolarHBondContact O-N 3.25Å; N106-Q109 PolarHBondContact O-N 3.39Å; N106-S110 PolarHBondContact O-N 2.8Å |
| 107 | D | 36.5 | Very low | 31.8 | Very low | 70 Ų | 70 | 105.3 Ų | 105.3 | 37% | 0.374 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.5 | -41 | 172.8 | -174.1 | 56.1 | 0 | 0 | 0 | 111.6 | S103 Q104 S110 R111 | S103-D107 PolarHBondContact O-N 3.37Å; Q104-D107 PolarHBondContact O-N 2.84Å; D107-S110 PolarHBondContact O-N 2.78Å; D107-S110 PolarHBondContact O-OG 3.33Å; D107-S110 VanDerWaalsContact O-OG 3.07Å; D107-R111 WeakPolarHBondContact O-CB 3.01Å; D107-R111 VanDerWaalsContact O-CG 3.29Å; D107-R111 WeakPolarHBondContact O-CG 3.46Å; D107-R111 PolarHBondContact O-N 3.38Å; D107-R111 IonicContact OD1-CZ 2.77Å; D107-R111 IonicContact OD1-NE 2.64Å; D107-R111 PolarHBondContact OD1-NE 3.18Å; D107-R111 IonicContact OD1-NH2 2.85Å; D107-R111 PolarHBondContact OD1-NH2 3.37Å; D107-R111 VanDerWaalsContact OD1-NH2 3.07Å; D107-R111 IonicContact OD2-CZ 2.64Å; D107-R111 IonicContact OD2-NE 2.76Å; D107-R111 PolarHBondContact OD2-NE 3.3Å; D107-R111 IonicContact OD2-NH2 3.92Å; D107-R111 PolarHBondContact OD2-NH2 3.19Å |
| 108 | I | 35.1 | Very low | 32.3 | Very low | 85 Ų | 85 | 103.3 Ų | 103.3 | 44% | 0.436 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.3 | -42.4 | 174.1 | -71.7 | 165.4 | 0 | 0 | 0 | 111.3 | Q104 L105 L112 | Q104-I108 WeakPolarHBondContact O-CB 3.25Å; Q104-I108 WeakPolarHBondContact O-CD1 3.28Å; Q104-I108 WeakPolarHBondContact O-CG1 3.21Å; Q104-I108 PolarHBondContact O-N 3.34Å; L105-I108 PolarHBondContact O-N 2.97Å; I108-L112 HydrophobicContact CG2-CD1 3.62Å; I108-L112 HydrophobicContact CG2-CG 4.28Å; I108-L112 VanDerWaalsContact O-CB 3.3Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 VanDerWaalsContact O-CG 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.34Å; I108-L112 PolarHBondContact O-N 2.04Å |
| 109 | Q | 32 | Very low | 32.7 | Very low | 140 Ų | 140 | 97.9 Ų | 97.9 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.1 | -39 | 174.9 | -77.3 | -168.4 | -94.1 | 0 | 0 | 112.6 | L105 N106 G113 | L105-Q109 WeakPolarHBondContact O-CG 3.36Å; L105-Q109 PolarHBondContact O-N 2.98Å; N106-Q109 PolarHBondContact O-N 3.39Å; Q109-G113 PolarHBondContact O-N 3.37Å |
| 110 | S | 34.6 | Very low | 33.2 | Very low | 74 Ų | 74 | 93.9 Ų | 93.9 | 52% | 0.517 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 179 | 82.4 | 0 | 0 | 0 | 0 | 112.1 | N106 D107 | N106-S110 PolarHBondContact O-N 2.8Å; D107-S110 PolarHBondContact O-N 2.78Å; D107-S110 PolarHBondContact O-OG 3.33Å; D107-S110 VanDerWaalsContact O-OG 3.07Å |
| 111 | R | 32.9 | Very low | 33.9 | Very low | 174 Ų | 174 | 95.8 Ų | 95.8 | 66% | 0.657 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -76 | -36.2 | 179.7 | -67.6 | 176.8 | -167.5 | -111.9 | 1.8 | 113.9 | D107 G113 | D107-R111 WeakPolarHBondContact O-CB 3.01Å; D107-R111 VanDerWaalsContact O-CG 3.29Å; D107-R111 WeakPolarHBondContact O-CG 3.46Å; D107-R111 PolarHBondContact O-N 3.38Å; D107-R111 IonicContact OD1-CZ 2.77Å; D107-R111 IonicContact OD1-NE 2.64Å; D107-R111 PolarHBondContact OD1-NE 3.18Å; D107-R111 IonicContact OD1-NH2 2.85Å; D107-R111 PolarHBondContact OD1-NH2 3.37Å; D107-R111 VanDerWaalsContact OD1-NH2 3.07Å; D107-R111 IonicContact OD2-CZ 2.64Å; D107-R111 IonicContact OD2-NE 2.76Å; D107-R111 PolarHBondContact OD2-NE 3.3Å; D107-R111 IonicContact OD2-NH2 3.92Å; D107-R111 PolarHBondContact OD2-NH2 3.19Å; R111-G113 VanDerWaalsContact C-N 3.31Å |
| 112 | L | 32.1 | Very low | 34.5 | Very low | 93 Ų | 93 | 94.7 Ų | 94.7 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -77.8 | -15.7 | 176.2 | -68.2 | 177.3 | 0 | 0 | 0 | 113.2 | I108 Q114 I122 | I108-L112 HydrophobicContact CG2-CD1 3.62Å; I108-L112 HydrophobicContact CG2-CG 4.28Å; I108-L112 VanDerWaalsContact O-CB 3.3Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 VanDerWaalsContact O-CG 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.34Å; I108-L112 PolarHBondContact O-N 2.04Å; L112-Q114 PolarHBondContact O-N 3.46Å; L112-I122 HydrophobicContact CD1-CD1 4.2Å |
| 113 | G | 29.1 | Very low | 35.3 | Very low | 65 Ų | 65 | 94.1 Ų | 94.1 | 67% | 0.67 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -2.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q109 R111 | Q109-G113 PolarHBondContact O-N 3.37Å; R111-G113 VanDerWaalsContact C-N 3.31Å |
| 114 | Q | 32.4 | Very low | 36 | Very low | 172 Ų | 172 | 92.3 Ų | 92.3 | 80% | 0.804 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | -8.3 | -170.3 | -64.4 | -168.2 | -8.9 | 0 | 0 | 116 | L112 | L112-Q114 PolarHBondContact O-N 3.46Š|
| 115 | T | 30.6 | Very low | 36.5 | Very low | 85 Ų | 85 | 90.5 Ų | 90.5 | 52% | 0.521 | 50% | 0.497 | S | S | . | . | trans | -103.8 | 81.3 | -170.5 | 37.8 | 0 | 0 | 0 | 0 | 114.3 | L117 | T115-L117 PolarHBondContact O-N 2.83Š| ||
| 116 | V | 30.9 | Very low | 37.1 | Very low | 126 Ų | 126 | 90.2 Ų | 90.2 | 76% | 0.764 | 50% | 0.501 | S | S | * | . | trans | -74.2 | 87.6 | 169 | -176 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 117 | L | 32.1 | Very low | 37.5 | Very low | 124 Ų | 124 | 90.2 Ų | 90.2 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | trans | -105.1 | 123.6 | 173.4 | -89.2 | 161.7 | 0 | 0 | 0 | 111.1 | T115 G119 I120 | T115-L117 PolarHBondContact O-N 2.83Å; L117-G119 PolarHBondContact O-N 2.89Å; L117-G119 VanDerWaalsContact O-N 3.1Å; L117-I120 PolarHBondContact O-N 2.85Å | ||
| 118 | N | 38.6 | Very low | 38 | Very low | 108 Ų | 108 | 90.2 Ų | 90.2 | 58% | 0.578 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 32.9 | 176.9 | -68.7 | 25.2 | 0 | 0 | 0 | 115.5 | I120 N142 | N118-I120 PolarHBondContact O-N 2.89Å; N118-N142 PolarHBondContact O-ND2 2.8Å |
| 119 | G | 37 | Very low | 38.1 | Very low | 18 Ų | 18 | 94.3 Ų | 94.3 | 19% | 0.186 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 20.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L117 Y141 | L117-G119 PolarHBondContact O-N 2.89Å; L117-G119 VanDerWaalsContact O-N 3.1Å; G119-Y141 WeakPolarHBondContact O-CB 3.07Å; G119-Y141 PolarHBondContact O-N 3.47Å |
| 120 | I | 38 | Very low | 38.3 | Very low | 66 Ų | 66 | 93.4 Ų | 93.4 | 34% | 0.338 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 139.5 | 176.8 | -55.8 | 172.7 | 0 | 0 | 0 | 109.6 | L117 N118 M138 F139 N140 | L117-I120 PolarHBondContact O-N 2.85Å; N118-I120 PolarHBondContact O-N 2.89Å; I120-M138 HydrophobicContact CG2-CB 4.3Å; I120-M138 HydrophobicContact CG2-CE 3.72Å; I120-F139 WeakPolarHBondContact CA-O 3.07Å; I120-N140 HydrophobicContact CG1-CB 4.11Å |
| 121 | H | 46.4 | Very low | 38.7 | Very low | 96 Ų | 96 | 92.1 Ų | 92.1 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 136.5 | -171.7 | 179.7 | -70.3 | 0 | 0 | 0 | 110.6 | S123 M138 F139 Y141 | H121-S123 PolarHBondContact O-N 3.42Å; H121-M138 CarbonylContact O-C 3.56Å; H121-M138 WeakPolarHBondContact O-CA 3.5Å; H121-F139 PolarHBondContact N-O 2.83Å; H121-F139 PolarHBondContact O-N 2.86Å; H121-Y141 HydrophobicContact CB-CD2 4.26Å; H121-Y141 HydrophobicContact CB-CE2 3.69Å |
| 122 | I | 42.5 | Very low | 39.3 | Very low | 62 Ų | 62 | 88 Ų | 88 | 32% | 0.318 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 115.9 | 176.3 | -57.6 | 173.5 | 0 | 0 | 0 | 108.4 | L112 V125 L136 Q137 M138 | L112-I122 HydrophobicContact CD1-CD1 4.2Å; I122-V125 HydrophobicContact CG2-CG2 3.97Å; I122-L136 HydrophobicContact CD1-CD2 4.32Å; I122-L136 HydrophobicContact CG1-CD2 4.43Å; I122-L136 HydrophobicContact CG2-CD2 4.45Å; I122-L136 HydrophobicContact CG2-CG 4.33Å; I122-Q137 CarbonylContact C-O 3.6Å; I122-Q137 WeakPolarHBondContact CA-O 3.45Å; I122-M138 HydrophobicContact CG1-CG 4.35Å |
| 123 | S | 49 | Very low | 39.8 | Very low | 58 Ų | 58 | 83.8 Ų | 83.8 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -26.4 | -176.3 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | H121 Q137 | H121-S123 PolarHBondContact O-N 3.42Å; S123-Q137 PolarHBondContact N-O 3.39Å; S123-Q137 WeakPolarHBondContact OG-CG 3.31Å; S123-Q137 PolarHBondContact OG-O 2.64Å |
| 124 | S | 48.2 | Very low | 40.5 | Very low | 45 Ų | 45 | 83.4 Ų | 83.4 | 32% | 0.315 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 159 | 170.3 | 80.7 | 0 | 0 | 0 | 0 | 112.2 | Q137 | S124-Q137 PolarHBondContact N-O 3.07Å; S124-Q137 PolarHBondContact O-N 2.98Å; S124-Q137 VanDerWaalsContact OG-CB 3.23Å; S124-Q137 WeakPolarHBondContact OG-CB 3.39Å; S124-Q137 PolarHBondContact OG-OE1 3.01Å |
| 125 | V | 43.6 | Very low | 41.2 | Very low | 75 Ų | 75 | 76.3 Ų | 76.3 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 134.9 | 165.1 | -176.4 | 0 | 0 | 0 | 0 | 106.9 | I122 M134 N135 L136 | I122-V125 HydrophobicContact CG2-CG2 3.97Å; V125-M134 HydrophobicContact CG1-CG 4.2Å; V125-M134 HydrophobicContact CG1-SD 4.4Å; V125-N135 WeakPolarHBondContact CA-O 3.32Å; V125-L136 HydrophobicContact CG1-CD1 4.4Å; V125-L136 HydrophobicContact CG2-CD1 3.81Å; V125-L136 HydrophobicContact CG2-CG 4.18Å |
| 126 | S | 45.1 | Very low | 41.8 | Very low | 61 Ų | 61 | 73.7 Ų | 73.7 | 43% | 0.427 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 156.9 | 176.3 | 70.3 | 0 | 0 | 0 | 0 | 111.3 | N135 | S126-N135 PolarHBondContact N-O 3.02Å; S126-N135 PolarHBondContact O-N 2.79Å |
| 127 | F | 41.1 | Very low | 42.6 | Very low | 97 Ų | 97 | 70.7 Ų | 70.7 | 43% | 0.425 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 122.9 | -167.9 | -153.3 | -80.3 | 0 | 0 | 0 | 110.5 | V133 M134 L153 | F127-V133 CarbonylContact C-O 3.56Å; F127-V133 WeakPolarHBondContact CA-O 3.39Å; F127-M134 HydrophobicContact CD2-CB 3.95Å; F127-M134 HydrophobicContact CD2-CE 4.17Å; F127-M134 HydrophobicContact CD2-CG 4.24Å; F127-M134 HydrophobicContact CE2-CB 4.07Å; F127-M134 HydrophobicContact CE2-CE 4.06Å; F127-L153 HydrophobicContact CE2-CD1 4.1Å; F127-L153 HydrophobicContact CZ-CD1 3.55Å |
| 128 | E | 46.8 | Very low | 43.3 | Very low | 71 Ų | 71 | 67.3 Ų | 67.3 | 33% | 0.332 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 95.8 | 177.3 | -68.2 | 178.2 | 118.4 | 0 | 0 | 109.2 | S130 S131 K132 V133 R150 | E128-S130 PolarHBondContact O-N 3.02Å; E128-S130 VanDerWaalsContact O-N 3.15Å; E128-S131 WeakPolarHBondContact CB-OG 3.34Å; E128-S131 PolarHBondContact O-N 2.77Å; E128-S131 VanDerWaalsContact O-N 3.12Å; E128-S131 PolarHBondContact O-OG 3.26Å; E128-S131 PolarHBondContact OE2-OG 2.04Å; E128-K132 PolarHBondContact O-N 3.29Å; E128-K132 VanDerWaalsContact O-N 3.15Å; E128-V133 HydrophobicContact CB-CB 4.31Å; E128-V133 PolarHBondContact N-O 3.28Å; E128-V133 PolarHBondContact O-N 2.91Å; E128-R150 IonicContact OE1-NH2 3.19Å; E128-R150 IonicContact OE2-CZ 2.76Å; E128-R150 IonicContact OE2-NE 3.58Å; E128-R150 IonicContact OE2-NH2 2.82Å; E128-R150 PolarHBondContact OE2-NH2 2.89Å |
| 129 | Q | 36.5 | Very low | 43.6 | Very low | 170 Ų | 170 | 65.3 Ų | 65.3 | 79% | 0.794 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -31.5 | 179.6 | -71.9 | -178.9 | -28.5 | 0 | 0 | 113.2 | S131 | Q129-S131 VanDerWaalsContact C-N 3.34Å; Q129-S131 PolarHBondContact O-N 2.02Å |
| 130 | S | 36.7 | Very low | 44.3 | Very low | 121 Ų | 121 | 65.8 Ų | 65.8 | 85% | 0.846 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -14.4 | -178.6 | 50.5 | 0 | 0 | 0 | 0 | 115 | E128 | E128-S130 PolarHBondContact O-N 3.02Å; E128-S130 VanDerWaalsContact O-N 3.15Å |
| 131 | S | 42.9 | Very low | 44.7 | Very low | 47 Ų | 47 | 69.6 Ų | 69.6 | 33% | 0.329 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -0.1 | -175.9 | 56.1 | 0 | 0 | 0 | 0 | 114.1 | E128 Q129 V133 | E128-S131 WeakPolarHBondContact CB-OG 3.34Å; E128-S131 PolarHBondContact O-N 2.77Å; E128-S131 VanDerWaalsContact O-N 3.12Å; E128-S131 PolarHBondContact O-OG 3.26Å; E128-S131 PolarHBondContact OE2-OG 2.04Å; Q129-S131 VanDerWaalsContact C-N 3.34Å; Q129-S131 PolarHBondContact O-N 2.02Å; S131-V133 PolarHBondContact O-N 3.11Å; S131-V133 WeakPolarHBondContact OG-CB 3.41Å; S131-V133 WeakPolarHBondContact OG-CG2 3.32Å |
| 132 | K | 45.2 | Very low | 44.6 | Very low | 89 Ų | 89 | 70.7 Ų | 70.7 | 39% | 0.387 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 33.1 | -172.3 | -56 | -169.8 | -178.9 | -175.3 | 0 | 113.1 | E128 L153 E155 | E128-K132 PolarHBondContact O-N 3.29Å; E128-K132 VanDerWaalsContact O-N 3.15Å; K132-L153 HydrophobicContact CB-CB 4.26Å; K132-L153 PolarHBondContact O-N 2.87Å; K132-E155 IonicContact NZ-OE1 2.75Å; K132-E155 PolarHBondContact NZ-OE1 3.32Å; K132-E155 IonicContact NZ-OE2 3.77Å; K132-E155 PolarHBondContact NZ-OE2 3.46Å |
| 133 | V | 43.4 | Very low | 45.2 | Very low | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.018 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.5 | -177.1 | 170.2 | 0 | 0 | 0 | 0 | 112.1 | F127 E128 S131 R150 Y151 E152 | F127-V133 CarbonylContact C-O 3.56Å; F127-V133 WeakPolarHBondContact CA-O 3.39Å; E128-V133 HydrophobicContact CB-CB 4.31Å; E128-V133 PolarHBondContact N-O 3.28Å; E128-V133 PolarHBondContact O-N 2.91Å; S131-V133 PolarHBondContact O-N 3.11Å; S131-V133 WeakPolarHBondContact OG-CB 3.41Å; S131-V133 WeakPolarHBondContact OG-CG2 3.32Å; V133-R150 HydrophobicContact CG1-CG 3.45Å; V133-R150 VanDerWaalsContact CG1-CG 3.45Å; V133-Y151 CarbonylContact C-O 3.44Å; V133-Y151 VanDerWaalsContact CA-O 3.29Å; V133-Y151 WeakPolarHBondContact CA-O 3.43Å; V133-E152 HydrophobicContact CG2-CG 3.86Å |
| 134 | M | 43 | Very low | 45.1 | Very low | 57 Ų | 57 | 79.9 Ų | 79.9 | 28% | 0.281 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.3 | 161.8 | -177.8 | -173.4 | -77.1 | 0 | 0 | 109.9 | V125 F127 L136 R150 Y151 | V125-M134 HydrophobicContact CG1-CG 4.2Å; V125-M134 HydrophobicContact CG1-SD 4.4Å; F127-M134 HydrophobicContact CD2-CB 3.95Å; F127-M134 HydrophobicContact CD2-CE 4.17Å; F127-M134 HydrophobicContact CD2-CG 4.24Å; F127-M134 HydrophobicContact CE2-CB 4.07Å; F127-M134 HydrophobicContact CE2-CE 4.06Å; M134-L136 HydrophobicContact SD-CD1 4.39Å; M134-R150 WeakPolarHBondContact O-CA 3.48Å; M134-Y151 PolarHBondContact N-O 3.04Å; M134-Y151 PolarHBondContact O-N 2.81Å |
| 135 | N | 47.5 | Very low | 44.9 | Very low | 24 Ų | 24 | 80.7 Ų | 80.7 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.6 | 168.5 | -52.4 | -83.6 | 0 | 0 | 0 | 109 | V125 S126 T148 Y149 R150 | V125-N135 WeakPolarHBondContact CA-O 3.32Å; S126-N135 PolarHBondContact N-O 3.02Å; S126-N135 PolarHBondContact O-N 2.79Å; N135-T148 HydrophobicContact CB-CG2 4.41Å; N135-Y149 CarbonylContact C-O 3.58Å; N135-Y149 WeakPolarHBondContact CA-O 2.95Å; N135-R150 WeakPolarHBondContact OD1-CG 3.39Å; N135-R150 PolarHBondContact OD1-NE 2.04Å |
| 136 | L | 43.3 | Very low | 44.9 | Very low | 29 Ų | 29 | 80 Ų | 80 | 15% | 0.152 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 118.7 | -178.4 | -160.3 | 121.8 | 0 | 0 | 0 | 109.4 | I122 V125 M134 M138 Y149 Y151 | I122-L136 HydrophobicContact CD1-CD2 4.32Å; I122-L136 HydrophobicContact CG1-CD2 4.43Å; I122-L136 HydrophobicContact CG2-CD2 4.45Å; I122-L136 HydrophobicContact CG2-CG 4.33Å; V125-L136 HydrophobicContact CG1-CD1 4.4Å; V125-L136 HydrophobicContact CG2-CD1 3.81Å; V125-L136 HydrophobicContact CG2-CG 4.18Å; M134-L136 HydrophobicContact SD-CD1 4.39Å; L136-M138 HydrophobicContact CD2-CG 3.86Å; L136-M138 HydrophobicContact CD2-SD 3.84Å; L136-Y149 PolarHBondContact N-O 3.41Å; L136-Y149 PolarHBondContact O-N 3.11Å; L136-Y151 HydrophobicContact CB-CE2 4.28Å |
| 137 | Q | 47.8 | Very low | 44.9 | Very low | 63 Ų | 63 | 80 Ų | 80 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.1 | -172.2 | -162.6 | 179.9 | -1.7 | 0 | 0 | 110.2 | I122 S123 S124 S146 | I122-Q137 CarbonylContact C-O 3.6Å; I122-Q137 WeakPolarHBondContact CA-O 3.45Å; S123-Q137 PolarHBondContact N-O 3.39Å; S123-Q137 WeakPolarHBondContact OG-CG 3.31Å; S123-Q137 PolarHBondContact OG-O 2.64Å; S124-Q137 PolarHBondContact N-O 3.07Å; S124-Q137 PolarHBondContact O-N 2.98Å; S124-Q137 VanDerWaalsContact OG-CB 3.23Å; S124-Q137 WeakPolarHBondContact OG-CB 3.39Å; S124-Q137 PolarHBondContact OG-OE1 3.01Å; Q137-S146 PolarHBondContact NE2-OG 3.23Å; Q137-S146 VanDerWaalsContact NE2-OG 3.16Å |
| 138 | M | 46.1 | Very low | 45.2 | Very low | 53 Ų | 53 | 79.4 Ų | 79.4 | 26% | 0.261 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.4 | -173.3 | -62.6 | 176.1 | 69.4 | 0 | 0 | 110.4 | I120 H121 I122 L136 S146 T147 Y149 | I120-M138 HydrophobicContact CG2-CB 4.3Å; I120-M138 HydrophobicContact CG2-CE 3.72Å; H121-M138 CarbonylContact O-C 3.56Å; H121-M138 WeakPolarHBondContact O-CA 3.5Å; I122-M138 HydrophobicContact CG1-CG 4.35Å; L136-M138 HydrophobicContact CD2-CG 3.86Å; L136-M138 HydrophobicContact CD2-SD 3.84Å; M138-S146 CarbonylContact O-C 3.47Å; M138-S146 WeakPolarHBondContact O-CA 3.49Å; M138-T147 PolarHBondContact N-O 2.76Å; M138-T147 PolarHBondContact O-N 3.38Å; M138-Y149 HydrophobicContact CB-CE2 4.47Å; M138-Y149 HydrophobicContact CG-CD2 4.33Å; M138-Y149 HydrophobicContact CG-CE2 4.34Å; M138-Y149 HydrophobicContact SD-CD2 3.73Å; M138-Y149 HydrophobicContact SD-CE2 3.58Å; M138-Y149 VanDerWaalsContact SD-CE2 3.58Å |
| 139 | F | 46.3 | Very low | 45 | Very low | 67 Ų | 67 | 81 Ų | 81 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.5 | 179.9 | -164.7 | -91.6 | 0 | 0 | 0 | 110.2 | I120 H121 Y141 T145 | I120-F139 WeakPolarHBondContact CA-O 3.07Å; H121-F139 PolarHBondContact N-O 2.83Å; H121-F139 PolarHBondContact O-N 2.86Å; F139-Y141 HydrophobicContact CD1-CD2 4.49Å; F139-Y141 HydrophobicContact CD1-CE1 4.5Å; F139-Y141 HydrophobicContact CD1-CE2 4.49Å; F139-Y141 HydrophobicContact CE1-CD1 4.35Å; F139-Y141 HydrophobicContact CE1-CE1 4.44Å; F139-T145 CarbonylContact C-O 3.57Å; F139-T145 WeakPolarHBondContact CA-O 3.49Å |
| 140 | N | 51.9 | Low | 45.5 | Very low | 27 Ų | 27 | 80.7 Ų | 80.7 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 111.3 | 179.4 | -175.5 | -16.1 | 0 | 0 | 0 | 110.4 | I120 N142 N143 R144 T145 | I120-N140 HydrophobicContact CG1-CB 4.11Å; N140-N142 VanDerWaalsContact C-N 3.32Å; N140-N142 PolarHBondContact O-N 2.02Å; N140-N142 WeakPolarHBondContact OD1-CB 3.46Å; N140-N142 PolarHBondContact OD1-N 3.29Å; N140-N143 VanDerWaalsContact CG-OD1 3.22Å; N140-N143 PolarHBondContact ND2-OD1 3.45Å; N140-N143 PolarHBondContact O-N 3.05Å; N140-N143 PolarHBondContact OD1-OD1 3.14Å; N140-R144 VanDerWaalsContact O-CA 3.29Å; N140-R144 WeakPolarHBondContact O-CA 3.34Å; N140-R144 PolarHBondContact O-N 3.21Å; N140-T145 PolarHBondContact N-O 3.34Å; N140-T145 PolarHBondContact O-N 2.79Å |
| 141 | Y | 45.9 | Very low | 45.6 | Very low | 146 Ų | 146 | 80.5 Ų | 80.5 | 57% | 0.573 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -29.3 | -178.8 | -76.7 | -82.4 | 0 | 0 | 0 | 113.4 | G119 H121 F139 N143 | G119-Y141 WeakPolarHBondContact O-CB 3.07Å; G119-Y141 PolarHBondContact O-N 3.47Å; H121-Y141 HydrophobicContact CB-CD2 4.26Å; H121-Y141 HydrophobicContact CB-CE2 3.69Å; F139-Y141 HydrophobicContact CD1-CD2 4.49Å; F139-Y141 HydrophobicContact CD1-CE1 4.5Å; F139-Y141 HydrophobicContact CD1-CE2 4.49Å; F139-Y141 HydrophobicContact CE1-CD1 4.35Å; F139-Y141 HydrophobicContact CE1-CE1 4.44Å; Y141-N143 VanDerWaalsContact C-N 3.27Å; Y141-N143 PolarHBondContact O-N 2.98Å |
| 142 | N | 44.8 | Very low | 45.3 | Very low | 120 Ų | 120 | 85.7 Ų | 85.7 | 64% | 0.642 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -24.6 | -177.4 | -64.2 | -40.9 | 0 | 0 | 0 | 113 | N118 N140 | N118-N142 PolarHBondContact O-ND2 2.8Å; N140-N142 VanDerWaalsContact C-N 3.32Å; N140-N142 PolarHBondContact O-N 2.02Å; N140-N142 WeakPolarHBondContact OD1-CB 3.46Å; N140-N142 PolarHBondContact OD1-N 3.29Å |
| 143 | N | 54.2 | Low | 44.8 | Very low | 96 Ų | 96 | 86.6 Ų | 86.6 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.1 | 15.6 | -177.4 | 42.3 | -61.4 | 0 | 0 | 0 | 114.5 | N140 Y141 T145 | N140-N143 VanDerWaalsContact CG-OD1 3.22Å; N140-N143 PolarHBondContact ND2-OD1 3.45Å; N140-N143 PolarHBondContact O-N 3.05Å; N140-N143 PolarHBondContact OD1-OD1 3.14Å; Y141-N143 VanDerWaalsContact C-N 3.27Å; Y141-N143 PolarHBondContact O-N 2.98Å; N143-T145 PolarHBondContact ND2-OG1 3.17Å; N143-T145 PolarHBondContact O-N 2.03Å |
| 144 | R | 47.6 | Very low | 44.3 | Very low | 217 Ų | 217 | 93.5 Ų | 93.5 | 82% | 0.819 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 31.5 | 174.4 | -57.8 | -173.2 | 180 | -164.9 | 0.1 | 115.3 | N140 | N140-R144 VanDerWaalsContact O-CA 3.29Å; N140-R144 WeakPolarHBondContact O-CA 3.34Å; N140-R144 PolarHBondContact O-N 3.21Å |
| 145 | T | 42.9 | Very low | 43.6 | Very low | 61 Ų | 61 | 98.2 Ų | 98.2 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141.3 | -178.5 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | F139 N140 N143 | F139-T145 CarbonylContact C-O 3.57Å; F139-T145 WeakPolarHBondContact CA-O 3.49Å; N140-T145 PolarHBondContact N-O 3.34Å; N140-T145 PolarHBondContact O-N 2.79Å; N143-T145 PolarHBondContact ND2-OG1 3.17Å; N143-T145 PolarHBondContact O-N 2.03Å |
| 146 | S | 43.8 | Very low | 42.7 | Very low | 61 Ų | 61 | 106.5 Ų | 106.5 | 43% | 0.427 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.9 | 168.7 | 174.6 | 0 | 0 | 0 | 0 | 109.3 | Q137 M138 | Q137-S146 PolarHBondContact NE2-OG 3.23Å; Q137-S146 VanDerWaalsContact NE2-OG 3.16Å; M138-S146 CarbonylContact O-C 3.47Å; M138-S146 WeakPolarHBondContact O-CA 3.49Å |
| 147 | T | 45.8 | Very low | 41.8 | Very low | 60 Ų | 60 | 110.2 Ų | 110.2 | 37% | 0.368 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.3 | 176.6 | -49.3 | 0 | 0 | 0 | 0 | 109.4 | M138 Y149 | M138-T147 PolarHBondContact N-O 2.76Å; M138-T147 PolarHBondContact O-N 3.38Å; T147-Y149 HydrophobicContact CG2-CD2 4.27Å; T147-Y149 HydrophobicContact CG2-CE1 4.38Å; T147-Y149 HydrophobicContact CG2-CE2 3.59Å |
| 148 | T | 47.4 | Very low | 40.7 | Very low | 86 Ų | 86 | 116 Ų | 116 | 53% | 0.528 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108 | 123.4 | 176.2 | -48.8 | 0 | 0 | 0 | 0 | 109.9 | N135 | N135-T148 HydrophobicContact CB-CG2 4.41Å |
| 149 | Y | 41.4 | Very low | 39.7 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 41% | 0.408 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 143.7 | 173.8 | -63.2 | -88.8 | 0 | 0 | 0 | 109.7 | N135 L136 M138 T147 | N135-Y149 CarbonylContact C-O 3.58Å; N135-Y149 WeakPolarHBondContact CA-O 2.95Å; L136-Y149 PolarHBondContact N-O 3.41Å; L136-Y149 PolarHBondContact O-N 3.11Å; M138-Y149 HydrophobicContact CB-CE2 4.47Å; M138-Y149 HydrophobicContact CG-CD2 4.33Å; M138-Y149 HydrophobicContact CG-CE2 4.34Å; M138-Y149 HydrophobicContact SD-CD2 3.73Å; M138-Y149 HydrophobicContact SD-CE2 3.58Å; M138-Y149 VanDerWaalsContact SD-CE2 3.58Å; T147-Y149 HydrophobicContact CG2-CD2 4.27Å; T147-Y149 HydrophobicContact CG2-CE1 4.38Å; T147-Y149 HydrophobicContact CG2-CE2 3.59Å |
| 150 | R | 46.9 | Very low | 38.5 | Very low | 164 Ų | 164 | 127 Ų | 127 | 62% | 0.619 | 61% | 0.611 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.5 | -174.9 | -165.4 | 170.1 | -160.6 | -138.4 | 1.2 | 109.3 | E128 V133 M134 N135 | E128-R150 IonicContact OE1-NH2 3.19Å; E128-R150 IonicContact OE2-CZ 2.76Å; E128-R150 IonicContact OE2-NE 3.58Å; E128-R150 IonicContact OE2-NH2 2.82Å; E128-R150 PolarHBondContact OE2-NH2 2.89Å; V133-R150 HydrophobicContact CG1-CG 3.45Å; V133-R150 VanDerWaalsContact CG1-CG 3.45Å; M134-R150 WeakPolarHBondContact O-CA 3.48Å; N135-R150 WeakPolarHBondContact OD1-CG 3.39Å; N135-R150 PolarHBondContact OD1-NE 2.04Å |
| 151 | Y | 39.2 | Very low | 37.1 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 46% | 0.459 | 65% | 0.649 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.6 | -172.4 | -58.3 | -87.7 | 0 | 0 | 0 | 110.4 | V133 M134 L136 | V133-Y151 CarbonylContact C-O 3.44Å; V133-Y151 VanDerWaalsContact CA-O 3.29Å; V133-Y151 WeakPolarHBondContact CA-O 3.43Å; M134-Y151 PolarHBondContact N-O 3.04Å; M134-Y151 PolarHBondContact O-N 2.81Å; L136-Y151 HydrophobicContact CB-CE2 4.28Å |
| 152 | E | 37.4 | Very low | 35.9 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 73% | 0.729 | 66% | 0.656 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 136.5 | 170.5 | -73.3 | 178.9 | 144.4 | 0 | 0 | 110.8 | V133 I154 | V133-E152 HydrophobicContact CG2-CG 3.86Å; E152-I154 PolarHBondContact O-N 3.26Å |
| 153 | L | 34.7 | Very low | 34.9 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 57% | 0.565 | 67% | 0.666 | S | S | * | * | trans | -83.8 | 109.5 | 173.1 | -80.4 | 158.7 | 0 | 0 | 0 | 111.2 | F127 K132 E155 | F127-L153 HydrophobicContact CE2-CD1 4.1Å; F127-L153 HydrophobicContact CZ-CD1 3.55Å; K132-L153 HydrophobicContact CB-CB 4.26Å; K132-L153 PolarHBondContact O-N 2.87Å; L153-E155 PolarHBondContact O-N 3.45Å | ||
| 154 | I | 32.5 | Very low | 33.4 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | trans | -84.8 | 107.4 | 179 | -54.1 | 175.7 | 0 | 0 | 0 | 110 | E152 K156 | E152-I154 PolarHBondContact O-N 3.26Å; I154-K156 PolarHBondContact O-N 2.87Å | ||
| 155 | E | 29.4 | Very low | 32.2 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | trans | -71.1 | 123.3 | 175.1 | -156 | 156.2 | -103.3 | 0 | 0 | 110.3 | K132 L153 | K132-E155 IonicContact NZ-OE1 2.75Å; K132-E155 PolarHBondContact NZ-OE1 3.32Å; K132-E155 IonicContact NZ-OE2 3.77Å; K132-E155 PolarHBondContact NZ-OE2 3.46Å; L153-E155 PolarHBondContact O-N 3.45Å | ||
| 156 | K | 27.2 | Very low | 31.3 | Very low | 198 Ų | 198 | 135.9 Ų | 135.9 | 86% | 0.861 | 69% | 0.693 | S | S | * | * | trans | -125.6 | 120.8 | 179.9 | -120.9 | 178.4 | -177.6 | 176.8 | 0 | 110.5 | I154 | I154-K156 PolarHBondContact O-N 2.87Š| ||
| 157 | A | 25.5 | Very low | 30.4 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 88% | 0.876 | 70% | 0.7 | S | S | * | * | trans | -65.1 | 149.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 158 | E | 24.4 | Very low | 29.4 | Very low | 184 Ų | 184 | 144.8 Ų | 144.8 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | -59.9 | 139.6 | 176.6 | -52.7 | 178.4 | 120.2 | 0 | 0 | 112.9 | ||||
| 159 | K | 23.7 | Very low | 28.6 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | -176.9 | 132.7 | 124 | -100.6 | 154.7 | -172.5 | 170 | 0 | 112.2 | |||||
| 160 | H | 22.8 | Very low | 27.9 | Very low | 168 Ų | 168 | 142 Ų | 142 | 78% | 0.778 | 72% | 0.718 | S | S | * | * | trans | 44 | 101.7 | 141.7 | -73.7 | -51.9 | 0 | 0 | 0 | 118.9 | ||||
| 161 | W | 21.2 | Very low | 27.1 | Very low | 249 Ų | 249 | 139 Ų | 139 | 94% | 0.943 | 72% | 0.72 | S | S | * | * | -172.8 | 169.8 | 107.3 | -100.7 | 18.3 | 0 | 0 | 0 | 115.1 | |||||
| 162 | S | 20.6 | Very low | 27 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | -85.1 | 150.5 | -170.2 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 163 | V | 25.1 | Very low | 26.9 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 86% | 0.855 | 71% | 0.714 | S | S | * | * | trans | -11.1 | 123.2 | 164.5 | -172.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 164 | N | 21.5 | Very low | 26.9 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | trans | -139 | 159.2 | 133.5 | -148.1 | -13.4 | 0 | 0 | 0 | 109.7 | ||||
| 165 | S | 23.5 | Very low | 26.9 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | trans | -81.4 | 166.2 | -159.3 | 55.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 166 | S | 23.3 | Very low | 27 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | trans | 101.4 | 141.8 | 162.9 | -42.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 167 | L | 24.4 | Very low | 27.2 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 59% | 0.586 | 67% | 0.671 | S | S | * | * | trans | 59.5 | 83 | 176.7 | -103 | 70.2 | 0 | 0 | 0 | 117.3 | L169 W290 | L167-L169 HydrophobicContact CD2-CD1 4.32Å; L167-L169 HydrophobicContact CD2-CG 4.44Å; L167-L169 HydrophobicContact CG-CD2 4.26Å; L167-L169 HydrophobicContact CG-CG 4.19Å; L167-W290 HydrophobicContact CD1-CH2 3.45Å; L167-W290 VanDerWaalsContact CD1-CH2 3.45Å; L167-W290 HydrophobicContact CD1-CZ2 4.16Å; L167-W290 HydrophobicContact CD1-CZ3 3.67Å | ||
| 168 | Q | 26.3 | Very low | 27.4 | Very low | 197 Ų | 197 | 128.6 Ų | 128.6 | 92% | 0.921 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 116.7 | 140.3 | -77.6 | -178.5 | -37.9 | 0 | 0 | 107.8 | ||
| 169 | L | 29 | Very low | 27.8 | Very low | 66 Ų | 66 | 123.9 Ų | 123.9 | 35% | 0.346 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -101.9 | 139.2 | 172 | -62.5 | -177.2 | 0 | 0 | 0 | 109.5 | L167 Q173 | L167-L169 HydrophobicContact CD2-CD1 4.32Å; L167-L169 HydrophobicContact CD2-CG 4.44Å; L167-L169 HydrophobicContact CG-CD2 4.26Å; L167-L169 HydrophobicContact CG-CG 4.19Å; L169-Q173 HydrophobicContact CB-CB 4.23Å; L169-Q173 HydrophobicContact CD1-CB 4.5Å |
| 170 | P | 27.1 | Very low | 28 | Very low | 64 Ų | 64 | 118.5 Ų | 118.5 | 42% | 0.416 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 155.5 | 176 | -24.9 | 34.8 | 0 | 0 | 0 | 112.7 | E172 Q173 | P170-E172 PolarHBondContact O-N 2.78Å; P170-Q173 PolarHBondContact O-N 3.33Å |
| 171 | P | 31.4 | Very low | 28.3 | Very low | 101 Ų | 101 | 117.7 Ų | 117.7 | 66% | 0.656 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -53 | -28.8 | 177.7 | -27.9 | 35.8 | 0 | 0 | 0 | 114.3 | Q173 L174 M175 | P171-Q173 VanDerWaalsContact C-N 3.33Å; P171-Q173 PolarHBondContact O-N 2.95Å; P171-L174 WeakPolarHBondContact O-CB 3.43Å; P171-L174 PolarHBondContact O-N 2.92Å; P171-M175 PolarHBondContact O-N 2.87Å |
| 172 | E | 37 | Very low | 28.7 | Very low | 151 Ų | 151 | 111.3 Ų | 111.3 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.5 | -38.2 | 175.9 | -60.5 | 174.2 | 168.9 | 0 | 0 | 112.8 | P170 A176 | P170-E172 PolarHBondContact O-N 2.78Å; E172-A176 PolarHBondContact O-N 3.06Å |
| 173 | Q | 35.1 | Very low | 28.9 | Very low | 78 Ų | 78 | 114.5 Ų | 114.5 | 36% | 0.364 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -79 | -28.5 | 178.2 | -64.1 | -162.1 | 12.7 | 0 | 0 | 112.6 | L169 P170 P171 M175 A176 I177 | L169-Q173 HydrophobicContact CB-CB 4.23Å; L169-Q173 HydrophobicContact CD1-CB 4.5Å; P170-Q173 PolarHBondContact O-N 3.33Å; P171-Q173 VanDerWaalsContact C-N 3.33Å; P171-Q173 PolarHBondContact O-N 2.95Å; Q173-M175 VanDerWaalsContact C-N 3.33Å; Q173-A176 WeakPolarHBondContact O-CB 3.47Å; Q173-A176 PolarHBondContact O-N 2.76Å; Q173-I177 PolarHBondContact O-N 2.04Å |
| 174 | L | 34.1 | Very low | 29.1 | Very low | 96 Ų | 96 | 112 Ų | 112 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.7 | -41.4 | 170.2 | -88.5 | 158.6 | 0 | 0 | 0 | 111.3 | P171 A176 I177 F178 | P171-L174 WeakPolarHBondContact O-CB 3.43Å; P171-L174 PolarHBondContact O-N 2.92Å; L174-A176 VanDerWaalsContact C-N 3.3Å; L174-A176 PolarHBondContact O-N 2.83Å; L174-I177 PolarHBondContact O-N 3.05Å; L174-F178 WeakPolarHBondContact O-CD2 3.24Å; L174-F178 PolarHBondContact O-N 3.38Å |
| 175 | M | 32.3 | Very low | 29.6 | Very low | 127 Ų | 127 | 110.4 Ų | 110.4 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.9 | -29.8 | 175.6 | -74.2 | -65.7 | -163.6 | 0 | 0 | 113.6 | P171 Q173 I177 T179 | P171-M175 PolarHBondContact O-N 2.87Å; Q173-M175 VanDerWaalsContact C-N 3.33Å; M175-I177 VanDerWaalsContact C-N 3.31Å; M175-I177 PolarHBondContact O-N 3.04Å; M175-T179 WeakPolarHBondContact O-CG2 3.43Å; M175-T179 PolarHBondContact O-N 3.44Å; M175-T179 PolarHBondContact O-OG1 2.82Å |
| 176 | A | 32.2 | Very low | 29.9 | Very low | 38 Ų | 38 | 113.1 Ų | 113.1 | 31% | 0.314 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.6 | -32.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E172 Q173 L174 T179 I182 | E172-A176 PolarHBondContact O-N 3.06Å; Q173-A176 WeakPolarHBondContact O-CB 3.47Å; Q173-A176 PolarHBondContact O-N 2.76Å; L174-A176 VanDerWaalsContact C-N 3.3Å; L174-A176 PolarHBondContact O-N 2.83Å; A176-T179 PolarHBondContact O-OG1 2.88Å; A176-I182 HydrophobicContact CB-CD1 4.09Å |
| 177 | I | 30.3 | Very low | 30 | Very low | 111 Ų | 111 | 112.2 Ų | 112.2 | 57% | 0.569 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.7 | -44.8 | 177.3 | -62.4 | 167.5 | 0 | 0 | 0 | 110.8 | Q173 L174 M175 T179 | Q173-I177 PolarHBondContact O-N 2.04Å; L174-I177 PolarHBondContact O-N 3.05Å; M175-I177 VanDerWaalsContact C-N 3.31Å; M175-I177 PolarHBondContact O-N 3.04Å; I177-T179 VanDerWaalsContact C-N 3.29Å; I177-T179 PolarHBondContact O-N 2.85Å |
| 178 | F | 31 | Very low | 30 | Very low | 171 Ų | 171 | 114.2 Ų | 114.2 | 75% | 0.75 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.4 | -13 | -177.9 | -81 | -75 | 0 | 0 | 0 | 115.2 | L174 | L174-F178 WeakPolarHBondContact O-CD2 3.24Å; L174-F178 PolarHBondContact O-N 3.38Å |
| 179 | T | 31.6 | Very low | 30 | Very low | 84 Ų | 84 | 112.3 Ų | 112.3 | 52% | 0.515 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.6 | 4.7 | -177 | 49.4 | 0 | 0 | 0 | 0 | 114.8 | M175 A176 I177 K181 | M175-T179 WeakPolarHBondContact O-CG2 3.43Å; M175-T179 PolarHBondContact O-N 3.44Å; M175-T179 PolarHBondContact O-OG1 2.82Å; A176-T179 PolarHBondContact O-OG1 2.88Å; I177-T179 VanDerWaalsContact C-N 3.29Å; I177-T179 PolarHBondContact O-N 2.85Å; T179-K181 PolarHBondContact O-N 3.36Å |
| 180 | G | 28 | Very low | 29.8 | Very low | 72 Ų | 72 | 114.3 Ų | 114.3 | 74% | 0.742 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67 | 15.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 181 | K | 29.8 | Very low | 29.7 | Very low | 150 Ų | 150 | 122 Ų | 122 | 65% | 0.652 | 65% | 0.653 | S | S | * | * | trans | -84.9 | -8.9 | -176.9 | -71.5 | -175.7 | 175.4 | 179.7 | 0 | 114.6 | T179 | T179-K181 PolarHBondContact O-N 3.36Š| ||
| 182 | I | 28.4 | Very low | 29.4 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 59% | 0.59 | 67% | 0.666 | S | S | * | * | trans | -104.6 | 117.5 | -173.8 | -59.2 | 175 | 0 | 0 | 0 | 109.4 | A176 | A176-I182 HydrophobicContact CB-CD1 4.09Š| ||
| 183 | K | 26.4 | Very low | 28.9 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 146.1 | 164.4 | -73.9 | -168.9 | 170.7 | -159 | 0 | 109.8 | ||
| 184 | P | 28.1 | Very low | 28.5 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 58% | 0.584 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -63 | 149.3 | 175.3 | 28 | -34.8 | 0 | 0 | 0 | 111.4 | ||
| 185 | P | 32.8 | Very low | 28.1 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 139.5 | -176.6 | 28.6 | -34.8 | 0 | 0 | 0 | 112.2 | ||
| 186 | I | 28.7 | Very low | 27.8 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -68 | 130.6 | 178.3 | -64.4 | 167.7 | 0 | 0 | 0 | 110.1 | L188 | I186-L188 HydrophobicContact CG2-CG 4.45Å; I186-L188 PolarHBondContact O-N 2.9Å; I186-L188 VanDerWaalsContact O-N 3.08Å |
| 187 | C | 25.4 | Very low | 27.5 | Very low | 90 Ų | 90 | 137.5 Ų | 137.5 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | trans | -68.4 | 103.3 | 178.1 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 188 | L | 25.8 | Very low | 27.4 | Very low | 154 Ų | 154 | 140 Ų | 140 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -122.2 | 111 | 172.1 | -82.7 | 168 | 0 | 0 | 0 | 111.5 | I186 S190 | I186-L188 HydrophobicContact CG2-CG 4.45Å; I186-L188 PolarHBondContact O-N 2.9Å; I186-L188 VanDerWaalsContact O-N 3.08Å; L188-S190 PolarHBondContact O-N 3.4Å | ||
| 189 | I | 25 | Very low | 27.2 | Very low | 157 Ų | 157 | 143 Ų | 143 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | -85.6 | 99.5 | 179.3 | -58.6 | 173.9 | 0 | 0 | 0 | 109.7 | ||||
| 190 | S | 26.1 | Very low | 27 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -94.6 | 107.5 | 176.4 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | L188 | L188-S190 PolarHBondContact O-N 3.4Š| ||
| 191 | R | 25.4 | Very low | 27.1 | Very low | 226 Ų | 226 | 148.9 Ų | 148.9 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 22.5 | 119.9 | 156.9 | -71.7 | 179.4 | 172.3 | 163.4 | -0.8 | 119.2 | ||||
| 192 | L | 25.1 | Very low | 26.9 | Very low | 179 Ų | 179 | 152.1 Ų | 152.1 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 140.8 | 156.9 | -70 | 157.8 | 0 | 0 | 0 | 112.4 | ||
| 193 | Q | 26.2 | Very low | 26.8 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 164.4 | 169.4 | -73.4 | -173.3 | -19.8 | 0 | 0 | 111.9 | G195 | Q193-G195 PolarHBondContact O-N 2.8Š|
| 194 | K | 25.9 | Very low | 26.8 | Very low | 222 Ų | 222 | 151.1 Ų | 151.1 | 97% | 0.965 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 126.6 | 178.6 | -76.1 | -179.7 | 172.8 | 179.6 | 0 | 111.5 | ||
| 195 | G | 26.6 | Very low | 26.7 | Very low | 68 Ų | 68 | 151.4 Ų | 151.4 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -166.3 | 74 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q193 | Q193-G195 PolarHBondContact O-N 2.8Š| ||
| 196 | D | 26 | Very low | 26.6 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 60.9 | 166.4 | 171.4 | -67.1 | -41.7 | 0 | 0 | 0 | 120.5 | ||
| 197 | A | 25.1 | Very low | 26.5 | Very low | 94 Ų | 94 | 151.2 Ų | 151.2 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | 60.3 | 84.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | R199 | A197-R199 PolarHBondContact O-N 3.36Š| ||
| 198 | N | 27.2 | Very low | 26.7 | Very low | 163 Ų | 163 | 149.9 Ų | 149.9 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -11.3 | 107.6 | 147 | -62.6 | -40.5 | 0 | 0 | 0 | 118.1 | ||||
| 199 | R | 28.6 | Very low | 26.9 | Very low | 233 Ų | 233 | 148.1 Ų | 148.1 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | 168.5 | 144.8 | 127.2 | -95.4 | 164.9 | 178.8 | -174.8 | -0.1 | 114.9 | A197 | A197-R199 PolarHBondContact O-N 3.36Š| |||
| 200 | L | 26.9 | Very low | 27.3 | Very low | 159 Ų | 159 | 147 Ų | 147 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | 75.6 | 161.5 | 150.6 | -69.9 | 168 | 0 | 0 | 0 | 118.4 | ||||
| 201 | P | 29.6 | Very low | 27.7 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | -111.6 | -161.1 | -128 | 44.2 | -40.9 | 0 | 0 | 0 | 117 | |||||
| 202 | R | 26.6 | Very low | 27.9 | Very low | 219 Ų | 219 | 142.2 Ų | 142.2 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -96.4 | 174.5 | -162.4 | -56.6 | 179.7 | 178.4 | 173.5 | 0.5 | 114.7 | ||||
| 203 | T | 25.9 | Very low | 28.2 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | 71.7 | 110.2 | 157.2 | 48.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 204 | T | 25.8 | Very low | 28.2 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -128.3 | 149.6 | 140.4 | 37.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 205 | A | 26.5 | Very low | 28.4 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | -117.9 | 150 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 206 | I | 29.9 | Very low | 28.6 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 42% | 0.415 | 73% | 0.734 | S | S | . | * | trans | -135.4 | 117.5 | 178.6 | -57.9 | 175.7 | 0 | 0 | 0 | 106.7 | V215 | I206-V215 HydrophobicContact CG2-CG1 4.17Š| ||
| 207 | E | 27.4 | Very low | 28.7 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | -89.9 | 129 | 167.1 | -78.5 | -172.9 | 134.7 | 0 | 0 | 109.4 | ||||
| 208 | C | 28.9 | Very low | 28.9 | Very low | 62 Ų | 62 | 132.9 Ų | 132.9 | 42% | 0.419 | 72% | 0.716 | S | S | . | * | trans | -97.5 | 127.8 | 170.1 | -65.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 209 | N | 30.6 | Very low | 28.8 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 62% | 0.62 | 71% | 0.712 | S | S | * | * | trans | -92 | 111.2 | -177.6 | -171.3 | -12.9 | 0 | 0 | 0 | 110.8 | V211 | N209-V211 PolarHBondContact O-N 3.42Š| ||
| 210 | D | 32.8 | Very low | 28.9 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -5.8 | -169.6 | -107.9 | 6.4 | 0 | 0 | 0 | 115.8 | ||
| 211 | V | 34.6 | Very low | 28.9 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -37.3 | -168.6 | -174.4 | 0 | 0 | 0 | 0 | 114.2 | N209 | N209-V211 PolarHBondContact O-N 3.42Š|
| 212 | N | 29.7 | Very low | 29 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 65% | 0.647 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.6 | 3.1 | -163.4 | -77 | -24.3 | 0 | 0 | 0 | 115.9 | Q214 | N212-Q214 PolarHBondContact O-N 2.86Š|
| 213 | N | 31 | Very low | 29.2 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 85% | 0.85 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 58.9 | 28.5 | -178.9 | -139.3 | 16.6 | 0 | 0 | 0 | 113.9 | ||
| 214 | Q | 27.1 | Very low | 29.6 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 64% | 0.64 | 70% | 0.698 | S | S | * | * | trans | -116.6 | 144.7 | 174.7 | -71.4 | -174.4 | -46.2 | 0 | 0 | 110.3 | N212 | N212-Q214 PolarHBondContact O-N 2.86Š| ||
| 215 | V | 30.4 | Very low | 30 | Very low | 86 Ų | 86 | 126.4 Ų | 126.4 | 52% | 0.521 | 70% | 0.697 | S | S | . | * | trans | -116.4 | 102.7 | 179.8 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | I206 I217 | I206-V215 HydrophobicContact CG2-CG1 4.17Å; V215-I217 HydrophobicContact CG1-CG1 4.35Å | ||
| 216 | D | 29.3 | Very low | 30.7 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 69% | 0.687 | S | S | * | * | trans | -84.4 | 132.6 | 170.1 | -75.5 | -48.4 | 0 | 0 | 0 | 110.2 | ||||
| 217 | I | 29.3 | Very low | 31.2 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 57% | 0.569 | 70% | 0.695 | S | S | * | * | trans | -108.8 | 92.9 | -179.8 | -56.1 | 178.2 | 0 | 0 | 0 | 108.8 | V215 F219 | V215-I217 HydrophobicContact CG1-CG1 4.35Å; I217-F219 HydrophobicContact CG2-CD2 4.39Å; I217-F219 HydrophobicContact CG2-CE2 3.8Å; I217-F219 HydrophobicContact CG2-CZ 4.09Å | ||
| 218 | A | 28.3 | Very low | 31.6 | Very low | 85 Ų | 85 | 126.7 Ų | 126.7 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | trans | -84.1 | 131 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 219 | F | 26.3 | Very low | 32.2 | Very low | 181 Ų | 181 | 128.4 Ų | 128.4 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | trans | -101.2 | 113.9 | 172.6 | -67.4 | -97.7 | 0 | 0 | 0 | 109.2 | I217 | I217-F219 HydrophobicContact CG2-CD2 4.39Å; I217-F219 HydrophobicContact CG2-CE2 3.8Å; I217-F219 HydrophobicContact CG2-CZ 4.09Å | ||
| 220 | C | 29.3 | Very low | 32.6 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 83% | 0.831 | 70% | 0.704 | S | S | * | * | trans | -131.6 | 131.1 | 172.6 | -64.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 221 | E | 26.7 | Very low | 32.7 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | trans | -94.4 | 139.9 | -178.5 | -70.3 | -173.9 | 134.9 | 0 | 0 | 112 | ||||
| 222 | H | 32 | Very low | 32.5 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | 63.6 | 124.3 | 153.1 | -84.4 | -95.6 | 0 | 0 | 0 | 122.3 | ||||
| 223 | A | 30.5 | Very low | 32.5 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 61% | 0.612 | 72% | 0.717 | S | S | * | * | trans | 84.3 | 155.2 | 134.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | L225 | A223-L225 PolarHBondContact O-N 3.01Š| ||
| 224 | D | 34.7 | Very low | 32.3 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | 67.3 | 2 | 153.7 | -63.9 | -2.1 | 0 | 0 | 0 | 123.8 | D226 A227 | D224-D226 PolarHBondContact O-N 2.93Å; D224-A227 PolarHBondContact O-N 3.37Å | ||
| 225 | L | 35 | Very low | 32.4 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -64.2 | -34.8 | 175 | -115.2 | 76.8 | 0 | 0 | 0 | 114.9 | A223 A227 Y228 | A223-L225 PolarHBondContact O-N 3.01Å; L225-A227 PolarHBondContact O-N 3.09Å; L225-Y228 PolarHBondContact O-N 2.94Å; L225-Y228 VanDerWaalsContact O-N 3.14Å |
| 226 | D | 40.2 | Very low | 32.4 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 58% | 0.583 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -73.1 | -8.8 | -174.7 | -156.7 | 13.3 | 0 | 0 | 0 | 113.4 | D224 R230 | D224-D226 PolarHBondContact O-N 2.93Å; D226-R230 VanDerWaalsContact O-CD 3.27Å; D226-R230 WeakPolarHBondContact O-CD 3.28Å; D226-R230 WeakPolarHBondContact O-CG 3.31Å; D226-R230 PolarHBondContact O-NE 3.32Å; D226-R230 IonicContact OD1-CZ 2.66Å; D226-R230 IonicContact OD1-NE 3.44Å; D226-R230 PolarHBondContact OD1-NE 3.04Å; D226-R230 IonicContact OD1-NH2 2.77Å; D226-R230 PolarHBondContact OD1-NH2 3.16Å; D226-R230 IonicContact OD2-CZ 2.74Å; D226-R230 IonicContact OD2-NE 2.85Å; D226-R230 IonicContact OD2-NH2 2.69Å; D226-R230 PolarHBondContact OD2-NH2 3.12Å |
| 227 | A | 40.2 | Very low | 32.4 | Very low | 71 Ų | 71 | 138.7 Ų | 138.7 | 59% | 0.587 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -89.8 | -21.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D224 L225 | D224-A227 PolarHBondContact O-N 3.37Å; L225-A227 PolarHBondContact O-N 3.09Å |
| 228 | Y | 37.4 | Very low | 32.4 | Very low | 192 Ų | 192 | 140 Ų | 140 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -79.1 | -51.6 | -174.1 | -161.4 | -96.9 | 0 | 0 | 0 | 111.7 | L225 R230 | L225-Y228 PolarHBondContact O-N 2.94Å; L225-Y228 VanDerWaalsContact O-N 3.14Å; Y228-R230 VanDerWaalsContact C-N 3.29Å; Y228-R230 PolarHBondContact O-N 2.85Å |
| 229 | C | 41.1 | Very low | 32.4 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 66% | 0.655 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -12.1 | -174.2 | -60.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 230 | R | 38.5 | Very low | 32.4 | Very low | 187 Ų | 187 | 139.4 Ų | 139.4 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -0.9 | -175.6 | -63 | -173.3 | -171.9 | -142.4 | 8.1 | 114.9 | D226 Y228 | D226-R230 VanDerWaalsContact O-CD 3.27Å; D226-R230 WeakPolarHBondContact O-CD 3.28Å; D226-R230 WeakPolarHBondContact O-CG 3.31Å; D226-R230 PolarHBondContact O-NE 3.32Å; D226-R230 IonicContact OD1-CZ 2.66Å; D226-R230 IonicContact OD1-NE 3.44Å; D226-R230 PolarHBondContact OD1-NE 3.04Å; D226-R230 IonicContact OD1-NH2 2.77Å; D226-R230 PolarHBondContact OD1-NH2 3.16Å; D226-R230 IonicContact OD2-CZ 2.74Å; D226-R230 IonicContact OD2-NE 2.85Å; D226-R230 IonicContact OD2-NH2 2.69Å; D226-R230 PolarHBondContact OD2-NH2 3.12Å; Y228-R230 VanDerWaalsContact C-N 3.29Å; Y228-R230 PolarHBondContact O-N 2.85Å |
| 231 | K | 35.7 | Very low | 32.3 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -112.2 | -8.7 | -169.5 | -153.1 | 171.7 | -176.7 | 178.7 | 0 | 115.7 | ||
| 232 | W | 30.6 | Very low | 32.3 | Very low | 233 Ų | 233 | 135.6 Ų | 135.6 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | trans | -127.6 | 130.5 | 176.1 | -74.3 | 89.1 | 0 | 0 | 0 | 110.3 | ||||
| 233 | G | 27.9 | Very low | 32.1 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 67% | 0.67 | 74% | 0.74 | S | S | * | * | trans | -127.2 | 162.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 234 | K | 28.2 | Very low | 31.9 | Very low | 203 Ų | 203 | 134 Ų | 134 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 79.5 | 142.3 | -173.8 | -54.1 | -179.8 | 177.1 | -178.9 | 0 | 114.9 | ||
| 235 | S | 29.8 | Very low | 31.4 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 88% | 0.881 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 65.3 | 161.5 | -175 | 2.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 236 | G | 29 | Very low | 30.8 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | trans | -91 | -153.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 237 | E | 28.9 | Very low | 30.1 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | 72.5 | 62.4 | 171.2 | -56.6 | -161.1 | 136.2 | 0 | 0 | 117.6 | T239 | E237-T239 VanDerWaalsContact C-N 3.27Å; E237-T239 HydrophobicContact CB-CG2 4.36Å; E237-T239 WeakPolarHBondContact CB-OG1 3.45Å; E237-T239 HydrophobicContact CG-CG2 4.13Å | ||
| 238 | C | 30.5 | Very low | 29.4 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 95% | 0.946 | 78% | 0.782 | S | S | * | * | trans | -90.4 | 68.4 | 136.6 | -69.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 239 | T | 28.7 | Very low | 28.7 | Very low | 79 Ų | 79 | 142.9 Ų | 142.9 | 49% | 0.485 | 79% | 0.786 | S | S | . | * | trans | -103.3 | 140.4 | -169.3 | 32 | 0 | 0 | 0 | 0 | 114.5 | E237 | E237-T239 VanDerWaalsContact C-N 3.27Å; E237-T239 HydrophobicContact CB-CG2 4.36Å; E237-T239 WeakPolarHBondContact CB-OG1 3.45Å; E237-T239 HydrophobicContact CG-CG2 4.13Å | ||
| 240 | K | 25.9 | Very low | 27.9 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | 52.4 | 101.8 | 145.7 | -60.4 | 170.9 | -179.2 | 169.8 | 0 | 117.7 | ||||
| 241 | C | 26.7 | Very low | 27.5 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 98% | 0.98 | 80% | 0.797 | S | S | * | * | -71.6 | 135.9 | 127.4 | -72.1 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 242 | S | 26.9 | Very low | 27.1 | Very low | 81 Ų | 81 | 143.4 Ų | 143.4 | 57% | 0.566 | 81% | 0.805 | S | S | * | * | trans | -130.8 | 140 | -165 | -172.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 243 | T | 28.8 | Very low | 26.9 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | 48.2 | 116.5 | 149.3 | 49.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 244 | G | 24.8 | Very low | 26.8 | Very low | 82 Ų | 82 | 142.6 Ų | 142.6 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -162.2 | 119 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 245 | L | 24.1 | Very low | 26.7 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -68.4 | 151.4 | -179.1 | -66.4 | 140.4 | 0 | 0 | 0 | 115.3 | ||||
| 246 | L | 23.6 | Very low | 26.6 | Very low | 172 Ų | 172 | 145 Ų | 145 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | 47.3 | 121.1 | 141.7 | -77.3 | 158.6 | 0 | 0 | 0 | 121.8 | ||||
| 247 | G | 24.3 | Very low | 26.5 | Very low | 69 Ų | 69 | 152.1 Ų | 152.1 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | 130.9 | 122.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 248 | R | 25.4 | Very low | 26.4 | Very low | 224 Ų | 224 | 150.8 Ų | 150.8 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | 79.5 | 117.9 | 57.3 | -81.2 | -161.1 | 177.4 | -163.6 | 1.8 | 114.4 | |||||
| 249 | Y | 24 | Very low | 26.1 | Very low | 213 Ų | 213 | 148.7 Ų | 148.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 67.8 | 153.9 | 177.2 | -63.7 | -81.1 | 0 | 0 | 0 | 115.2 | ||||
| 250 | C | 24.2 | Very low | 26 | Very low | 114 Ų | 114 | 155 Ų | 155 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | cis | -142.3 | 167.9 | 9.7 | -145 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 251 | E | 29.9 | Very low | 26 | Very low | 176 Ų | 176 | 156.3 Ų | 156.3 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | trans | -76.3 | 162 | 167.3 | -57 | 178.3 | 109.6 | 0 | 0 | 111.9 | ||||
| 252 | I | 26.5 | Very low | 25.9 | Very low | 179 Ų | 179 | 157 Ų | 157 | 92% | 0.918 | 82% | 0.822 | S | S | * | * | trans | 173.5 | 148.5 | 135.5 | -92.6 | 154 | 0 | 0 | 0 | 110.1 | ||||
| 253 | G | 27.2 | Very low | 25.8 | Very low | 72 Ų | 72 | 159.7 Ų | 159.7 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | trans | 117.9 | 67.7 | 152 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 254 | K | 25 | Very low | 25.5 | Very low | 209 Ų | 209 | 159.4 Ų | 159.4 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -65.8 | 139.1 | 164.6 | -67.9 | 172.5 | 179.5 | 172.2 | 0 | 111.7 | ||||
| 255 | K | 27.1 | Very low | 25.6 | Very low | 213 Ų | 213 | 161 Ų | 161 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | trans | -159.7 | 141 | 131.9 | -112.7 | 164.9 | -173.4 | 176.8 | 0 | 112.3 | ||||
| 256 | Q | 26.6 | Very low | 25.9 | Very low | 167 Ų | 167 | 159.2 Ų | 159.2 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | trans | -83.7 | 150.5 | 178.5 | -60.8 | 158.3 | -60.5 | 0 | 0 | 110.4 | ||||
| 257 | F | 27.2 | Very low | 26.2 | Very low | 220 Ų | 220 | 157 Ų | 157 | 97% | 0.965 | 81% | 0.809 | S | S | * | * | trans | -138 | 146.2 | 141.7 | -112.4 | -81.5 | 0 | 0 | 0 | 110.4 | ||||
| 258 | L | 26.2 | Very low | 26.8 | Very low | 136 Ų | 136 | 160.2 Ų | 160.2 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | trans | -103.9 | 129 | -160.8 | -97.6 | 142.1 | 0 | 0 | 0 | 113.5 | ||||
| 259 | S | 26 | Very low | 27.9 | Very low | 96 Ų | 96 | 153.3 Ų | 153.3 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | 39.4 | 112.3 | 144 | 63.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 260 | K | 26.5 | Very low | 29.9 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | -125.2 | 125 | 118.4 | -79.4 | -171.9 | 175.1 | 177.9 | 0 | 108.8 | L262 | K260-L262 PolarHBondContact O-N 2.03Š| |||
| 261 | K | 25 | Very low | 32 | Very low | 202 Ų | 202 | 145.7 Ų | 145.7 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | trans | -70.8 | 119.1 | 173 | -91.5 | -175.1 | 171.4 | -177.9 | 0 | 108.9 | ||||
| 262 | L | 24.2 | Very low | 34.2 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | -107.8 | 109 | 159.4 | -148.4 | 80.7 | 0 | 0 | 0 | 107 | K260 L264 | K260-L262 PolarHBondContact O-N 2.03Å; L262-L264 PolarHBondContact O-N 2.9Å; L262-L264 VanDerWaalsContact O-N 3.08Å | ||
| 263 | T | 24.3 | Very low | 36.8 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 84% | 0.84 | 71% | 0.709 | S | S | * | * | trans | -77.8 | 91.5 | 177.3 | 13.6 | 0 | 0 | 0 | 0 | 109.5 | S265 | T263-S265 PolarHBondContact O-N 3.06Š| ||
| 264 | L | 24.1 | Very low | 39.4 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 70% | 0.696 | 69% | 0.688 | S | S | * | * | trans | -87.8 | 101.8 | 175.7 | -162.8 | 77.7 | 0 | 0 | 0 | 109.6 | L262 I266 | L262-L264 PolarHBondContact O-N 2.9Å; L262-L264 VanDerWaalsContact O-N 3.08Å; L264-I266 HydrophobicContact CD2-CD1 4.41Å; L264-I266 HydrophobicContact CD2-CG1 4.08Å; L264-I266 HydrophobicContact CG-CG1 4.36Å; L264-I266 PolarHBondContact O-N 3.09Å | ||
| 265 | S | 25.8 | Very low | 41.8 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | trans | -74 | 93.8 | 173.4 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | T263 V267 | T263-S265 PolarHBondContact O-N 3.06Å; S265-V267 PolarHBondContact O-N 2.86Å | ||
| 266 | I | 30.6 | Very low | 43.9 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 65% | 0.651 | 66% | 0.656 | S | S | * | * | trans | -77.1 | 101.2 | 175 | -58.5 | 171.5 | 0 | 0 | 0 | 108.4 | L264 L268 | L264-I266 HydrophobicContact CD2-CD1 4.41Å; L264-I266 HydrophobicContact CD2-CG1 4.08Å; L264-I266 HydrophobicContact CG-CG1 4.36Å; L264-I266 PolarHBondContact O-N 3.09Å; I266-L268 HydrophobicContact CG2-CD2 4.03Å; I266-L268 HydrophobicContact CG2-CG 4.22Å; I266-L268 PolarHBondContact O-N 3.41Å | ||
| 267 | V | 29.6 | Very low | 45.2 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 76% | 0.758 | 66% | 0.663 | S | S | * | * | trans | -82.9 | 104.5 | 167.8 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | S265 A269 | S265-V267 PolarHBondContact O-N 2.86Å; V267-A269 PolarHBondContact O-N 3.2Å; V267-A269 VanDerWaalsContact O-N 3.08Å | ||
| 268 | L | 38.3 | Very low | 46.9 | Very low | 136 Ų | 136 | 114.1 Ų | 114.1 | 71% | 0.712 | 64% | 0.642 | S | S | * | * | trans | -75.3 | 91.6 | 168.6 | -67.4 | 176.1 | 0 | 0 | 0 | 108.6 | I266 | I266-L268 HydrophobicContact CG2-CD2 4.03Å; I266-L268 HydrophobicContact CG2-CG 4.22Å; I266-L268 PolarHBondContact O-N 3.41Å | ||
| 269 | A | 47.4 | Very low | 49.1 | Very low | 80 Ų | 80 | 108.5 Ų | 108.5 | 66% | 0.661 | 61% | 0.614 | S | S | * | * | trans | -84.9 | 132 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | V267 | V267-A269 PolarHBondContact O-N 3.2Å; V267-A269 VanDerWaalsContact O-N 3.08Å | ||
| 270 | D | 66.2 | Low | 51.3 | Low | 50 Ų | 50 | 104.1 Ų | 104.1 | 27% | 0.267 | 58% | 0.583 | S | S | . | * | trans | -67 | 138.3 | 168.2 | -173.9 | 46.4 | 0 | 0 | 0 | 110.4 | N288 W290 G291 | D270-N288 PolarHBondContact OD2-ND2 3.35Å; D270-W290 HydrophobicContact CB-CD2 4.46Å; D270-W290 WeakPolarHBondContact OD1-CA 3.28Å; D270-G291 PolarHBondContact OD1-N 2.03Å | ||
| 271 | I | 69.1 | Low | 53.5 | Low | 116 Ų | 116 | 95.4 Ų | 95.4 | 60% | 0.595 | 55% | 0.553 | S | S | * | * | trans | -95.6 | 105.7 | 176 | -60.8 | 178.7 | 0 | 0 | 0 | 106.8 | E273 | I271-E273 HydrophobicContact CG2-CG 4.33Å; I271-E273 VanDerWaalsContact O-CD 3.28Å; I271-E273 PolarHBondContact O-N 3.26Å | ||
| 272 | N | 75.6 | Confident | 55.7 | Low | 74 Ų | 74 | 91.1 Ų | 91.1 | 40% | 0.396 | 54% | 0.544 | S | S | . | . | trans | -68.8 | 91.1 | 178.3 | 179.3 | -12.9 | 0 | 0 | 0 | 110.9 | C274 S275 N288 | N272-C274 PolarHBondContact O-N 3.34Å; N272-C274 WeakPolarHBondContact OD1-CA 3.42Å; N272-C274 VanDerWaalsContact OD1-CB 3.32Å; N272-C274 WeakPolarHBondContact OD1-CB 3.02Å; N272-C274 PolarHBondContact OD1-N 3.39Å; N272-C274 VanDerWaalsContact OD1-N 3.1Å; N272-S275 VanDerWaalsContact CG-OG 3.24Å; N272-S275 PolarHBondContact ND2-OG 2.78Å; N272-S275 WeakPolarHBondContact O-CB 3.24Å; N272-S275 PolarHBondContact O-N 2.9Å; N272-S275 PolarHBondContact O-OG 2.88Å; N272-S275 PolarHBondContact OD1-N 2.82Å; N272-S275 PolarHBondContact OD1-OG 3.39Å; N272-N288 VanDerWaalsContact CA-OD1 3.22Å; N272-N288 WeakPolarHBondContact CA-OD1 3.44Å; N272-N288 PolarHBondContact OD1-OD1 3.49Å | ||
| 273 | E | 80.7 | Confident | 58 | Low | 38 Ų | 38 | 86.2 Ų | 86.2 | 18% | 0.178 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -71.2 | -15.1 | -177 | -57 | 111.4 | 153.9 | 0 | 0 | 112.6 | I271 S275 I276 S279 N288 Y293 | I271-E273 HydrophobicContact CG2-CG 4.33Å; I271-E273 VanDerWaalsContact O-CD 3.28Å; I271-E273 PolarHBondContact O-N 3.26Å; E273-S275 PolarHBondContact O-N 3.15Å; E273-I276 HydrophobicContact CB-CD1 4.27Å; E273-I276 HydrophobicContact CG-CD1 4.38Å; E273-I276 VanDerWaalsContact O-CB 3.32Å; E273-I276 WeakPolarHBondContact O-CB 3.01Å; E273-I276 PolarHBondContact O-N 3.04Å; E273-S279 PolarHBondContact O-OG 3.18Å; E273-N288 PolarHBondContact N-OD1 3.49Å; E273-Y293 HydrophobicContact CB-CD1 3.45Å; E273-Y293 VanDerWaalsContact CB-CD1 3.45Å; E273-Y293 HydrophobicContact CB-CE1 4.07Å; E273-Y293 HydrophobicContact CB-CG 3.98Å; E273-Y293 HydrophobicContact CG-CD1 3.86Å; E273-Y293 HydrophobicContact CG-CE1 4.38Å; E273-Y293 PolarHBondContact OE2-N 2.9Å |
| 274 | C | 81.2 | Confident | 60.2 | Low | 43 Ų | 43 | 80.4 Ų | 80.4 | 29% | 0.291 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -71.1 | -10.3 | 167 | -54.9 | 0 | 0 | 0 | 0 | 113.1 | N272 I276 C286 I287 | N272-C274 PolarHBondContact O-N 3.34Å; N272-C274 WeakPolarHBondContact OD1-CA 3.42Å; N272-C274 VanDerWaalsContact OD1-CB 3.32Å; N272-C274 WeakPolarHBondContact OD1-CB 3.02Å; N272-C274 PolarHBondContact OD1-N 3.39Å; N272-C274 VanDerWaalsContact OD1-N 3.1Å; C274-I276 VanDerWaalsContact C-N 3.3Å; C274-C286 WeakPolarHBondContact CA-SG 3.36Å; C274-C286 HydrophobicContact CB-CB 3.69Å; C274-C286 WeakPolarHBondContact CB-SG 3.28Å; C274-C286 WeakPolarHBondContact SG-CB 3.47Å; C274-C286 CovalentContact SG-SG 2.04Å; C274-C286 PolarHBondContact SG-SG 3.33Å; C274-I287 PolarHBondContact SG-N 2.95Å |
| 275 | S | 77.3 | Confident | 62.9 | Low | 93 Ų | 93 | 78.4 Ų | 78.4 | 65% | 0.65 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -80.3 | -9.8 | 164.9 | -49.8 | 0 | 0 | 0 | 0 | 113.1 | N272 E273 | N272-S275 VanDerWaalsContact CG-OG 3.24Å; N272-S275 PolarHBondContact ND2-OG 2.78Å; N272-S275 WeakPolarHBondContact O-CB 3.24Å; N272-S275 PolarHBondContact O-N 2.9Å; N272-S275 PolarHBondContact O-OG 2.88Å; N272-S275 PolarHBondContact OD1-N 2.82Å; N272-S275 PolarHBondContact OD1-OG 3.39Å; E273-S275 PolarHBondContact O-N 3.15Å |
| 276 | I | 69.2 | Low | 65.6 | Low | 100 Ų | 100 | 74.9 Ų | 74.9 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -88.1 | 123.9 | 175.1 | -54.6 | 173.9 | 0 | 0 | 0 | 107.8 | E273 C274 G278 S279 | E273-I276 HydrophobicContact CB-CD1 4.27Å; E273-I276 HydrophobicContact CG-CD1 4.38Å; E273-I276 VanDerWaalsContact O-CB 3.32Å; E273-I276 WeakPolarHBondContact O-CB 3.01Å; E273-I276 PolarHBondContact O-N 3.04Å; C274-I276 VanDerWaalsContact C-N 3.3Å; I276-G278 PolarHBondContact O-N 2.83Å; I276-G278 VanDerWaalsContact O-N 3.11Å; I276-S279 PolarHBondContact O-N 2.89Å; I276-S279 PolarHBondContact O-OG 2.72Å |
| 277 | N | 54.6 | Low | 68.1 | Low | 176 Ų | 176 | 73 Ų | 73 | 94% | 0.941 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 110.2 | -170.2 | -162.6 | 13.2 | 0 | 0 | 0 | 111.2 | ||
| 278 | G | 63.9 | Low | 70.4 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.1 | 2.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | I276 C280 G281 | I276-G278 PolarHBondContact O-N 2.83Å; I276-G278 VanDerWaalsContact O-N 3.11Å; G278-C280 PolarHBondContact O-N 3.42Å; G278-G281 PolarHBondContact O-N 3.36Å |
| 279 | S | 72.4 | Confident | 72 | Confident | 18 Ų | 18 | 66 Ų | 66 | 13% | 0.126 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -27.8 | -172.3 | -58.8 | 0 | 0 | 0 | 0 | 116 | E273 I276 Y293 L305 | E273-S279 PolarHBondContact O-OG 3.18Å; I276-S279 PolarHBondContact O-N 2.89Å; I276-S279 PolarHBondContact O-OG 2.72Å; S279-Y293 VanDerWaalsContact O-CE2 3.28Å; S279-Y293 WeakPolarHBondContact O-CE2 3.43Å; S279-L305 VanDerWaalsContact O-CD2 3.29Å; S279-L305 WeakPolarHBondContact O-CD2 3.48Å |
| 280 | C | 71.9 | Confident | 72.6 | Confident | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.027 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 23.1 | 177.6 | -68 | 0 | 0 | 0 | 0 | 114.5 | G278 G284 C286 C295 L305 | G278-C280 PolarHBondContact O-N 3.42Å; C280-G284 WeakPolarHBondContact CB-O 3.01Å; C280-G284 VanDerWaalsContact O-CA 3.23Å; C280-G284 WeakPolarHBondContact O-CA 3.49Å; C280-G284 PolarHBondContact O-N 3.27Å; C280-C286 HydrophobicContact CB-CB 4.17Å; C280-C286 VanDerWaalsContact SG-CA 3.54Å; C280-C286 VanDerWaalsContact SG-CB 3.53Å; C280-C286 VanDerWaalsContact SG-SG 3.7Å; C280-C295 WeakPolarHBondContact CA-SG 3.01Å; C280-C295 HydrophobicContact CB-CB 3.65Å; C280-C295 WeakPolarHBondContact CB-SG 3.2Å; C280-C295 WeakPolarHBondContact SG-CA 3.06Å; C280-C295 WeakPolarHBondContact SG-CB 3.39Å; C280-C295 CovalentContact SG-SG 2.04Å; C280-C295 PolarHBondContact SG-SG 3.43Å; C280-L305 CarbonylContact C-O 3.31Å; C280-L305 CarbonylContact O-C 3.31Å |
| 281 | G | 73.2 | Confident | 72.5 | Confident | 27 Ų | 27 | 69.3 Ų | 69.3 | 28% | 0.278 | 41% | 0.408 | S | S | . | . | trans | 65.4 | -168.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G278 H283 L305 | G278-G281 PolarHBondContact O-N 3.36Å; G281-H283 VanDerWaalsContact C-N 3.3Å; G281-H283 PolarHBondContact O-N 3.14Å; G281-L305 WeakPolarHBondContact CA-O 3.48Å | ||
| 282 | V | 70.9 | Confident | 72.8 | Confident | 113 Ų | 113 | 66.7 Ų | 66.7 | 69% | 0.685 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -18.3 | -171.6 | -173 | 0 | 0 | 0 | 0 | 112.7 | ||
| 283 | H | 71.3 | Confident | 73.1 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 26% | 0.259 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 19.7 | -171 | -48.1 | 102.2 | 0 | 0 | 0 | 113.6 | G281 M298 Y301 | G281-H283 VanDerWaalsContact C-N 3.3Å; G281-H283 PolarHBondContact O-N 3.14Å; H283-M298 WeakPolarHBondContact O-CG 3Å; H283-M298 PolarHBondContact O-N 2.77Å; H283-Y301 HydrophobicContact CB-CD1 3.43Å; H283-Y301 VanDerWaalsContact CB-CD1 3.43Å; H283-Y301 HydrophobicContact CB-CD2 3.75Å; H283-Y301 HydrophobicContact CB-CE1 3.58Å; H283-Y301 HydrophobicContact CB-CE2 3.91Å; H283-Y301 HydrophobicContact CB-CG 3.51Å; H283-Y301 AromaticContact CD2-CE1 3.7Å; H283-Y301 AromaticContact CD2-CE2 3.99Å; H283-Y301 AromaticContact CD2-CZ 3.44Å; H283-Y301 VanDerWaalsContact CD2-CZ 3.44Å; H283-Y301 PolarHBondContact CD2-OH 3.19Å; H283-Y301 AromaticContact CE1-CE1 3.54Å; H283-Y301 AromaticContact CE1-CZ 3.89Å; H283-Y301 AromaticContact CG-CD1 3.57Å; H283-Y301 AromaticContact CG-CE1 3.16Å; H283-Y301 AromaticContact CG-CE2 3.92Å; H283-Y301 AromaticContact CG-CZ 3.38Å; H283-Y301 AromaticContact ND1-CD1 3.6Å; H283-Y301 AromaticContact ND1-CE1 3.07Å; H283-Y301 WeakPolarHBondContact ND1-CE1 3.37Å; H283-Y301 AromaticContact ND1-CZ 3.69Å; H283-Y301 AromaticContact NE2-CE1 3.91Å; H283-Y301 AromaticContact NE2-CZ 3.77Å; H283-Y301 PolarHBondContact NE2-OH 3.18Å |
| 284 | G | 71.7 | Confident | 72.8 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 16% | 0.155 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C280 C306 | C280-G284 WeakPolarHBondContact CB-O 3.01Å; C280-G284 VanDerWaalsContact O-CA 3.23Å; C280-G284 WeakPolarHBondContact O-CA 3.49Å; C280-G284 PolarHBondContact O-N 3.27Å; G284-C306 VanDerWaalsContact CA-CB 3.49Å; G284-C306 VanDerWaalsContact CA-SG 3.52Å |
| 285 | I | 80.8 | Confident | 72.7 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 47% | 0.472 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 118.7 | 172.1 | -58.3 | 169.8 | 0 | 0 | 0 | 107.3 | S296 M298 | I285-S296 WeakPolarHBondContact CB-O 3.44Å; I285-S296 PolarHBondContact N-O 3.31Å; I285-S296 PolarHBondContact O-N 3.4Å; I285-M298 HydrophobicContact CG1-CE 4.14Å; I285-M298 HydrophobicContact CG1-CG 4.49Å |
| 286 | C | 82.6 | Confident | 72.6 | Confident | 40 Ų | 40 | 66 Ų | 66 | 27% | 0.27 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 131.2 | 178.7 | -168 | 0 | 0 | 0 | 0 | 111.1 | C274 C280 | C274-C286 WeakPolarHBondContact CA-SG 3.36Å; C274-C286 HydrophobicContact CB-CB 3.69Å; C274-C286 WeakPolarHBondContact CB-SG 3.28Å; C274-C286 WeakPolarHBondContact SG-CB 3.47Å; C274-C286 CovalentContact SG-SG 2.04Å; C274-C286 PolarHBondContact SG-SG 3.33Å; C280-C286 HydrophobicContact CB-CB 4.17Å; C280-C286 VanDerWaalsContact SG-CA 3.54Å; C280-C286 VanDerWaalsContact SG-CB 3.53Å; C280-C286 VanDerWaalsContact SG-SG 3.7Å |
| 287 | I | 81.3 | Confident | 72.9 | Confident | 87 Ų | 87 | 63.4 Ų | 63.4 | 45% | 0.446 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.7 | 177.7 | -55.8 | 173 | 0 | 0 | 0 | 107.4 | C274 Y293 A294 | C274-I287 PolarHBondContact SG-N 2.95Å; I287-Y293 WeakPolarHBondContact O-CA 3.38Å; I287-A294 HydrophobicContact CB-CB 4.45Å; I287-A294 PolarHBondContact N-O 3.4Å; I287-A294 PolarHBondContact O-N 3.44Å |
| 288 | N | 79 | Confident | 73.5 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 139.8 | -179.3 | -164.9 | 67.5 | 0 | 0 | 0 | 111.6 | D270 N272 E273 | D270-N288 PolarHBondContact OD2-ND2 3.35Å; N272-N288 VanDerWaalsContact CA-OD1 3.22Å; N272-N288 WeakPolarHBondContact CA-OD1 3.44Å; N272-N288 PolarHBondContact OD1-OD1 3.49Å; E273-N288 PolarHBondContact N-OD1 3.49Å |
| 289 | T | 71.2 | Confident | 73.3 | Confident | 58 Ų | 58 | 67.3 Ų | 67.3 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 160.1 | 179.3 | 69.2 | 0 | 0 | 0 | 0 | 110.2 | G291 S292 | T289-G291 PolarHBondContact O-N 3.45Å; T289-S292 CarbonylContact C-O 3.52Å; T289-S292 VanDerWaalsContact C-O 3.31Å; T289-S292 VanDerWaalsContact CA-O 3.29Å; T289-S292 WeakPolarHBondContact CA-O 3.45Å; T289-S292 WeakPolarHBondContact CB-O 3.47Å; T289-S292 PolarHBondContact N-O 3.05Å; T289-S292 PolarHBondContact O-N 2.05Å; T289-S292 VanDerWaalsContact O-N 3.08Å; T289-S292 VanDerWaalsContact OG1-C 3.26Å; T289-S292 PolarHBondContact OG1-O 2.04Å |
| 290 | W | 60.6 | Low | 72.6 | Confident | 143 Ų | 143 | 69.1 Ų | 69.1 | 54% | 0.542 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 104.7 | -173 | -160.3 | -60.6 | 0 | 0 | 0 | 111.6 | L167 D270 | L167-W290 HydrophobicContact CD1-CH2 3.45Å; L167-W290 VanDerWaalsContact CD1-CH2 3.45Å; L167-W290 HydrophobicContact CD1-CZ2 4.16Å; L167-W290 HydrophobicContact CD1-CZ3 3.67Å; D270-W290 HydrophobicContact CB-CD2 4.46Å; D270-W290 WeakPolarHBondContact OD1-CA 3.28Å |
| 291 | G | 64.2 | Low | 72.2 | Confident | 57 Ų | 57 | 72 Ų | 72 | 59% | 0.588 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 16.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | D270 T289 | D270-G291 PolarHBondContact OD1-N 2.03Å; T289-G291 PolarHBondContact O-N 3.45Å |
| 292 | S | 74.9 | Confident | 71.6 | Confident | 62 Ų | 62 | 73.7 Ų | 73.7 | 43% | 0.434 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 172.7 | 173.2 | -141.7 | 0 | 0 | 0 | 0 | 113.2 | T289 | T289-S292 CarbonylContact C-O 3.52Å; T289-S292 VanDerWaalsContact C-O 3.31Å; T289-S292 VanDerWaalsContact CA-O 3.29Å; T289-S292 WeakPolarHBondContact CA-O 3.45Å; T289-S292 WeakPolarHBondContact CB-O 3.47Å; T289-S292 PolarHBondContact N-O 3.05Å; T289-S292 PolarHBondContact O-N 2.05Å; T289-S292 VanDerWaalsContact O-N 3.08Å; T289-S292 VanDerWaalsContact OG1-C 3.26Å; T289-S292 PolarHBondContact OG1-O 2.04Å |
| 293 | Y | 81.5 | Confident | 71.3 | Confident | 89 Ų | 89 | 70 Ų | 70 | 35% | 0.349 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150.8 | 170 | 66.3 | -77.7 | 0 | 0 | 0 | 111.7 | E273 S279 I287 | E273-Y293 HydrophobicContact CB-CD1 3.45Å; E273-Y293 VanDerWaalsContact CB-CD1 3.45Å; E273-Y293 HydrophobicContact CB-CE1 4.07Å; E273-Y293 HydrophobicContact CB-CG 3.98Å; E273-Y293 HydrophobicContact CG-CD1 3.86Å; E273-Y293 HydrophobicContact CG-CE1 4.38Å; E273-Y293 PolarHBondContact OE2-N 2.9Å; S279-Y293 VanDerWaalsContact O-CE2 3.28Å; S279-Y293 WeakPolarHBondContact O-CE2 3.43Å; I287-Y293 WeakPolarHBondContact O-CA 3.38Å |
| 294 | A | 75.8 | Confident | 70.9 | Confident | 47 Ų | 47 | 76.1 Ų | 76.1 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I287 | I287-A294 HydrophobicContact CB-CB 4.45Å; I287-A294 PolarHBondContact N-O 3.4Å; I287-A294 PolarHBondContact O-N 3.44Å |
| 295 | C | 78.9 | Confident | 70.7 | Confident | 38 Ų | 38 | 79.6 Ų | 79.6 | 26% | 0.257 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 118.6 | 177.2 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | C280 | C280-C295 WeakPolarHBondContact CA-SG 3.01Å; C280-C295 HydrophobicContact CB-CB 3.65Å; C280-C295 WeakPolarHBondContact CB-SG 3.2Å; C280-C295 WeakPolarHBondContact SG-CA 3.06Å; C280-C295 WeakPolarHBondContact SG-CB 3.39Å; C280-C295 CovalentContact SG-SG 2.04Å; C280-C295 PolarHBondContact SG-SG 3.43Å |
| 296 | S | 74.3 | Confident | 70 | Confident | 59 Ų | 59 | 75.2 Ų | 75.2 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 114.1 | 173.5 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | I285 | I285-S296 WeakPolarHBondContact CB-O 3.44Å; I285-S296 PolarHBondContact N-O 3.31Å; I285-S296 PolarHBondContact O-N 3.4Å |
| 297 | C | 75.8 | Confident | 69 | Low | 45 Ų | 45 | 78.3 Ų | 78.3 | 30% | 0.304 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 141.1 | -173.3 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | Y301 C306 | C297-Y301 VanDerWaalsContact CB-O 3.27Å; C297-Y301 WeakPolarHBondContact CB-O 2.99Å; C297-C306 WeakPolarHBondContact CA-SG 3.21Å; C297-C306 HydrophobicContact CB-CB 3.69Å; C297-C306 WeakPolarHBondContact CB-SG 3.25Å; C297-C306 PolarHBondContact N-SG 3.04Å; C297-C306 WeakPolarHBondContact SG-CA 3.23Å; C297-C306 WeakPolarHBondContact SG-CB 3.29Å; C297-C306 CovalentContact SG-SG 2.04Å; C297-C306 PolarHBondContact SG-SG 2.82Å |
| 298 | M | 68.3 | Low | 67.9 | Low | 91 Ų | 91 | 78.3 Ų | 78.3 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 154.4 | 172 | -66 | -179.8 | -173.8 | 0 | 0 | 111 | H283 I285 G300 Y301 | H283-M298 WeakPolarHBondContact O-CG 3Å; H283-M298 PolarHBondContact O-N 2.77Å; I285-M298 HydrophobicContact CG1-CE 4.14Å; I285-M298 HydrophobicContact CG1-CG 4.49Å; M298-G300 PolarHBondContact O-N 3.18Å; M298-G300 VanDerWaalsContact O-N 3.13Å; M298-Y301 HydrophobicContact CB-CD2 3.94Å; M298-Y301 WeakPolarHBondContact O-CB 3.37Å; M298-Y301 PolarHBondContact O-N 3.45Å |
| 299 | K | 58.6 | Low | 66.4 | Low | 218 Ų | 218 | 78.1 Ų | 78.1 | 95% | 0.948 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 119.4 | -177.2 | -170 | 178.3 | -178 | -178.6 | 0 | 110.8 | ||
| 300 | G | 58.4 | Low | 65.1 | Low | 55 Ų | 55 | 80.6 Ų | 80.6 | 57% | 0.567 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.3 | 4.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | M298 | M298-G300 PolarHBondContact O-N 3.18Å; M298-G300 VanDerWaalsContact O-N 3.13Å |
| 301 | Y | 63.5 | Low | 64.3 | Low | 66 Ų | 66 | 83.1 Ų | 83.1 | 26% | 0.259 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 146.5 | 176.9 | -65.5 | -90.1 | 0 | 0 | 0 | 112.3 | H283 C297 M298 I308 T309 | H283-Y301 HydrophobicContact CB-CD1 3.43Å; H283-Y301 VanDerWaalsContact CB-CD1 3.43Å; H283-Y301 HydrophobicContact CB-CD2 3.75Å; H283-Y301 HydrophobicContact CB-CE1 3.58Å; H283-Y301 HydrophobicContact CB-CE2 3.91Å; H283-Y301 HydrophobicContact CB-CG 3.51Å; H283-Y301 AromaticContact CD2-CE1 3.7Å; H283-Y301 AromaticContact CD2-CE2 3.99Å; H283-Y301 AromaticContact CD2-CZ 3.44Å; H283-Y301 VanDerWaalsContact CD2-CZ 3.44Å; H283-Y301 PolarHBondContact CD2-OH 3.19Å; H283-Y301 AromaticContact CE1-CE1 3.54Å; H283-Y301 AromaticContact CE1-CZ 3.89Å; H283-Y301 AromaticContact CG-CD1 3.57Å; H283-Y301 AromaticContact CG-CE1 3.16Å; H283-Y301 AromaticContact CG-CE2 3.92Å; H283-Y301 AromaticContact CG-CZ 3.38Å; H283-Y301 AromaticContact ND1-CD1 3.6Å; H283-Y301 AromaticContact ND1-CE1 3.07Å; H283-Y301 WeakPolarHBondContact ND1-CE1 3.37Å; H283-Y301 AromaticContact ND1-CZ 3.69Å; H283-Y301 AromaticContact NE2-CE1 3.91Å; H283-Y301 AromaticContact NE2-CZ 3.77Å; H283-Y301 PolarHBondContact NE2-OH 3.18Å; C297-Y301 VanDerWaalsContact CB-O 3.27Å; C297-Y301 WeakPolarHBondContact CB-O 2.99Å; M298-Y301 HydrophobicContact CB-CD2 3.94Å; M298-Y301 WeakPolarHBondContact O-CB 3.37Å; M298-Y301 PolarHBondContact O-N 3.45Å; Y301-I308 VanDerWaalsContact CA-O 3.32Å; Y301-I308 WeakPolarHBondContact CA-O 3.37Å; Y301-T309 HydrophobicContact CD1-CG2 3.83Å; Y301-T309 HydrophobicContact CE1-CG2 3.15Å |
| 302 | T | 60.8 | Low | 62.8 | Low | 61 Ų | 61 | 84.4 Ų | 84.4 | 37% | 0.374 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 172 | -175.7 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | C306 N307 I308 D310 | T302-C306 CarbonylContact O-C 3.44Å; T302-C306 WeakPolarHBondContact O-CA 3.05Å; T302-N307 PolarHBondContact O-N 2.93Å; T302-I308 HydrophobicContact CG2-CB 3.79Å; T302-I308 HydrophobicContact CG2-CG2 3.74Å; T302-I308 PolarHBondContact N-O 3.4Å; T302-I308 PolarHBondContact O-N 3.5Å; T302-D310 WeakPolarHBondContact CG2-OD2 3.4Å |
| 303 | G | 64.3 | Low | 60.8 | Low | 35 Ų | 35 | 86 Ų | 86 | 36% | 0.361 | 48% | 0.478 | S | S | . | . | S | Bend | trans | 86.5 | 165.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | L305 C306 | G303-L305 PolarHBondContact O-N 2.97Å; G303-C306 PolarHBondContact O-N 2.89Å |
| 304 | Q | 63.5 | Low | 58.4 | Low | 186 Ų | 186 | 91.2 Ų | 91.2 | 87% | 0.869 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.6 | -169.5 | -167.3 | 171.2 | -3.9 | 0 | 0 | 115.3 | ||
| 305 | L | 67.3 | Low | 56.5 | Low | 87 Ų | 87 | 93.5 Ų | 93.5 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 19.2 | 173.4 | -69.2 | 170.6 | 0 | 0 | 0 | 111.9 | S279 C280 G281 G303 N307 | S279-L305 VanDerWaalsContact O-CD2 3.29Å; S279-L305 WeakPolarHBondContact O-CD2 3.48Å; C280-L305 CarbonylContact C-O 3.31Å; C280-L305 CarbonylContact O-C 3.31Å; G281-L305 WeakPolarHBondContact CA-O 3.48Å; G303-L305 PolarHBondContact O-N 2.97Å; L305-N307 HydrophobicContact CB-CB 4.33Å; L305-N307 PolarHBondContact O-N 2.82Å |
| 306 | C | 66.1 | Low | 54 | Low | 0 Ų | 0 | 100.1 Ų | 100.1 | 0% | 0 | 55% | 0.546 | C | S | . | . | S | Bend | trans | 48 | 27.5 | -178 | -56.1 | 0 | 0 | 0 | 0 | 114.7 | G284 C297 T302 G303 | G284-C306 VanDerWaalsContact CA-CB 3.49Å; G284-C306 VanDerWaalsContact CA-SG 3.52Å; C297-C306 WeakPolarHBondContact CA-SG 3.21Å; C297-C306 HydrophobicContact CB-CB 3.69Å; C297-C306 WeakPolarHBondContact CB-SG 3.25Å; C297-C306 PolarHBondContact N-SG 3.04Å; C297-C306 WeakPolarHBondContact SG-CA 3.23Å; C297-C306 WeakPolarHBondContact SG-CB 3.29Å; C297-C306 CovalentContact SG-SG 2.04Å; C297-C306 PolarHBondContact SG-SG 2.82Å; T302-C306 CarbonylContact O-C 3.44Å; T302-C306 WeakPolarHBondContact O-CA 3.05Å; G303-C306 PolarHBondContact O-N 2.89Å |
| 307 | N | 60.2 | Low | 52 | Low | 106 Ų | 106 | 102.5 Ų | 102.5 | 57% | 0.567 | 56% | 0.561 | S | S | * | * | trans | -99 | -0.3 | -165.2 | -143.5 | 30.4 | 0 | 0 | 0 | 112.7 | T302 L305 | T302-N307 PolarHBondContact O-N 2.93Å; L305-N307 HydrophobicContact CB-CB 4.33Å; L305-N307 PolarHBondContact O-N 2.82Å | ||
| 308 | I | 58.2 | Low | 50.3 | Low | 86 Ų | 86 | 107.2 Ų | 107.2 | 44% | 0.441 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 118.5 | 176.4 | -57.9 | 172 | 0 | 0 | 0 | 107.5 | Y301 T302 | Y301-I308 VanDerWaalsContact CA-O 3.32Å; Y301-I308 WeakPolarHBondContact CA-O 3.37Å; T302-I308 HydrophobicContact CG2-CB 3.79Å; T302-I308 HydrophobicContact CG2-CG2 3.74Å; T302-I308 PolarHBondContact N-O 3.4Å; T302-I308 PolarHBondContact O-N 3.5Å |
| 309 | T | 48.1 | Very low | 49 | Very low | 52 Ų | 52 | 109.2 Ų | 109.2 | 32% | 0.319 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.1 | 132.9 | 153.3 | 46.2 | 0 | 0 | 0 | 0 | 107.9 | Y301 K311 | Y301-T309 HydrophobicContact CD1-CG2 3.83Å; Y301-T309 HydrophobicContact CE1-CG2 3.15Å; T309-K311 PolarHBondContact O-N 2.98Å |
| 310 | D | 44.3 | Very low | 48.8 | Very low | 109 Ų | 109 | 103.6 Ų | 103.6 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 66.9 | 160.2 | -79.2 | -44.6 | 0 | 0 | 0 | 109.7 | T302 | T302-D310 WeakPolarHBondContact CG2-OD2 3.4Š|
| 311 | K | 43 | Very low | 49.1 | Very low | 196 Ų | 196 | 103 Ų | 103 | 85% | 0.852 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | 1.9 | 167 | -74.9 | -167.6 | 172.1 | -175.8 | 0 | 112.6 | T309 | T309-K311 PolarHBondContact O-N 2.98Š|
| 312 | A | 32.4 | Very low | 49.4 | Very low | 85 Ų | 85 | 103 Ų | 103 | 70% | 0.702 | 56% | 0.557 | S | S | * | * | trans | -134.9 | 18.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | M314 | A312-M314 PolarHBondContact O-N 3.24Š| ||
| 313 | V | 34 | Very low | 50.2 | Low | 96 Ų | 96 | 101.5 Ų | 101.5 | 58% | 0.582 | 55% | 0.548 | S | S | * | . | trans | -94.1 | 88.7 | 168.1 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | V315 | V313-V315 HydrophobicContact CG1-CB 4.15Å; V313-V315 HydrophobicContact CG1-CG2 3.68Å; V313-V315 PolarHBondContact O-N 2.78Å | ||
| 314 | M | 30.4 | Very low | 50.7 | Low | 197 Ų | 197 | 106.9 Ų | 106.9 | 97% | 0.97 | 57% | 0.568 | S | S | * | * | trans | -71.3 | 61.7 | 164.6 | -95.2 | -85.1 | -164.1 | 0 | 0 | 110.5 | A312 | A312-M314 PolarHBondContact O-N 3.24Š| ||
| 315 | V | 35.1 | Very low | 50.9 | Low | 96 Ų | 96 | 104.6 Ų | 104.6 | 58% | 0.582 | 56% | 0.561 | S | S | * | * | trans | -80.6 | 142.6 | 150.2 | 167.5 | 0 | 0 | 0 | 0 | 106.4 | V313 C317 | V313-V315 HydrophobicContact CG1-CB 4.15Å; V313-V315 HydrophobicContact CG1-CG2 3.68Å; V313-V315 PolarHBondContact O-N 2.78Å; V315-C317 PolarHBondContact O-N 3.1Å | ||
| 316 | M | 28.3 | Very low | 50.9 | Low | 177 Ų | 177 | 103.2 Ų | 103.2 | 87% | 0.872 | 57% | 0.568 | S | S | * | * | trans | -71.8 | 73.3 | 169.4 | -73.4 | 179.8 | 62.1 | 0 | 0 | 110.1 | L318 | M316-L318 VanDerWaalsContact C-N 3.31Å; M316-L318 PolarHBondContact O-N 2.88Å | ||
| 317 | C | 30.5 | Very low | 51.6 | Low | 108 Ų | 108 | 109.3 Ų | 109.3 | 73% | 0.73 | 59% | 0.594 | S | S | * | * | trans | -66.5 | 96.7 | 161.1 | -64.3 | 0 | 0 | 0 | 0 | 107.3 | V315 | V315-C317 PolarHBondContact O-N 3.1Š| ||
| 318 | L | 41.1 | Very low | 52.7 | Low | 145 Ų | 145 | 105.9 Ų | 105.9 | 76% | 0.759 | 58% | 0.578 | S | S | * | * | trans | -49.4 | 146.7 | 150.2 | -68.2 | 164.6 | 0 | 0 | 0 | 107.7 | M316 I320 | M316-L318 VanDerWaalsContact C-N 3.31Å; M316-L318 PolarHBondContact O-N 2.88Å; L318-I320 PolarHBondContact O-N 2.95Å | ||
| 319 | E | 41.3 | Very low | 54.2 | Low | 132 Ų | 132 | 101.9 Ų | 101.9 | 62% | 0.617 | 56% | 0.558 | S | S | * | * | trans | -56.6 | 107.1 | 171 | -68.8 | -171.4 | 109.4 | 0 | 0 | 109.2 | D321 K337 | E319-D321 PolarHBondContact O-N 3.29Å; E319-D321 VanDerWaalsContact O-N 3.14Å; E319-K337 WeakPolarHBondContact OE1-CE 3.48Å; E319-K337 IonicContact OE1-NZ 3.15Å; E319-K337 PolarHBondContact OE1-NZ 2.99Å; E319-K337 IonicContact OE2-NZ 2.63Å; E319-K337 PolarHBondContact OE2-NZ 3.14Å | ||
| 320 | I | 54.7 | Low | 56 | Low | 101 Ų | 101 | 101.3 Ų | 101.3 | 52% | 0.518 | 56% | 0.562 | S | S | . | * | trans | -73.7 | 101 | 161.5 | -64.9 | 177.4 | 0 | 0 | 0 | 104.3 | L318 E322 L325 | L318-I320 PolarHBondContact O-N 2.95Å; I320-E322 PolarHBondContact O-N 3.25Å; I320-E322 VanDerWaalsContact O-OE2 3.12Å; I320-L325 HydrophobicContact CG2-CB 4.28Å; I320-L325 HydrophobicContact CG2-CD1 4.26Å; I320-L325 HydrophobicContact CG2-CD2 3.87Å; I320-L325 HydrophobicContact CG2-CG 4.36Å | ||
| 321 | D | 63.6 | Low | 58.1 | Low | 42 Ų | 42 | 101.2 Ų | 101.2 | 23% | 0.225 | 56% | 0.561 | C | S | . | * | trans | -67.2 | 103.2 | 169.3 | -172.1 | -48.1 | 0 | 0 | 0 | 107.8 | E319 C323 L324 L325 | E319-D321 PolarHBondContact O-N 3.29Å; E319-D321 VanDerWaalsContact O-N 3.14Å; D321-C323 PolarHBondContact O-N 2.9Å; D321-C323 WeakPolarHBondContact OD1-CA 3.42Å; D321-C323 WeakPolarHBondContact OD1-CB 3.02Å; D321-C323 PolarHBondContact OD1-N 3.2Å; D321-C323 VanDerWaalsContact OD1-N 3.09Å; D321-L324 HydrophobicContact CB-CB 4.11Å; D321-L324 HydrophobicContact CB-CD1 3.89Å; D321-L324 HydrophobicContact CB-CG 3.88Å; D321-L324 WeakPolarHBondContact O-CB 3.21Å; D321-L324 PolarHBondContact O-N 3.29Å; D321-L324 PolarHBondContact OD1-N 3Å; D321-L324 VanDerWaalsContact OD1-N 3.16Å; D321-L325 PolarHBondContact O-N 3.4Å; D321-L325 VanDerWaalsContact O-N 3.1Å | ||
| 322 | E | 69.6 | Low | 60.3 | Low | 67 Ų | 67 | 94 Ų | 94 | 31% | 0.313 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.2 | -26.4 | -175.5 | -62.2 | 84.8 | 174.9 | 0 | 0 | 111.5 | I320 L324 L325 P328 F342 | I320-E322 PolarHBondContact O-N 3.25Å; I320-E322 VanDerWaalsContact O-OE2 3.12Å; E322-L324 VanDerWaalsContact C-N 3.33Å; E322-L325 PolarHBondContact O-N 3.41Å; E322-P328 VanDerWaalsContact O-CD 3.24Å; E322-P328 WeakPolarHBondContact O-CD 3.35Å; E322-F342 HydrophobicContact CB-CB 4.49Å; E322-F342 HydrophobicContact CB-CD1 3.59Å; E322-F342 HydrophobicContact CB-CE1 4.12Å; E322-F342 HydrophobicContact CB-CG 4.18Å; E322-F342 HydrophobicContact CG-CD1 3.88Å; E322-F342 HydrophobicContact CG-CE1 4.33Å |
| 323 | C | 78.3 | Confident | 63.1 | Low | 29 Ų | 29 | 90.5 Ų | 90.5 | 20% | 0.196 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -66.6 | -34.5 | 173.3 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | D321 C335 | D321-C323 PolarHBondContact O-N 2.9Å; D321-C323 WeakPolarHBondContact OD1-CA 3.42Å; D321-C323 WeakPolarHBondContact OD1-CB 3.02Å; D321-C323 PolarHBondContact OD1-N 3.2Å; D321-C323 VanDerWaalsContact OD1-N 3.09Å; C323-C335 WeakPolarHBondContact CA-SG 3.11Å; C323-C335 HydrophobicContact CB-CB 3.57Å; C323-C335 WeakPolarHBondContact CB-SG 3.41Å; C323-C335 VanDerWaalsContact SG-C 3.56Å; C323-C335 WeakPolarHBondContact SG-CB 3.29Å; C323-C335 CovalentContact SG-SG 2.03Å; C323-C335 PolarHBondContact SG-SG 3.24Å |
| 324 | L | 74.3 | Confident | 65.8 | Low | 148 Ų | 148 | 90 Ų | 90 | 78% | 0.775 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -78.4 | -29.1 | 174.7 | -62.8 | -176.8 | 0 | 0 | 0 | 113.7 | D321 E322 | D321-L324 HydrophobicContact CB-CB 4.11Å; D321-L324 HydrophobicContact CB-CD1 3.89Å; D321-L324 HydrophobicContact CB-CG 3.88Å; D321-L324 WeakPolarHBondContact O-CB 3.21Å; D321-L324 PolarHBondContact O-N 3.29Å; D321-L324 PolarHBondContact OD1-N 3Å; D321-L324 VanDerWaalsContact OD1-N 3.16Å; E322-L324 VanDerWaalsContact C-N 3.33Å |
| 325 | L | 68.3 | Low | 68.6 | Low | 138 Ų | 138 | 82.1 Ų | 82.1 | 72% | 0.723 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -78.1 | -20.5 | -171.4 | -150.7 | 79.6 | 0 | 0 | 0 | 114.6 | I320 D321 E322 | I320-L325 HydrophobicContact CG2-CB 4.28Å; I320-L325 HydrophobicContact CG2-CD1 4.26Å; I320-L325 HydrophobicContact CG2-CD2 3.87Å; I320-L325 HydrophobicContact CG2-CG 4.36Å; D321-L325 PolarHBondContact O-N 3.4Å; D321-L325 VanDerWaalsContact O-N 3.1Å; E322-L325 PolarHBondContact O-N 3.41Å |
| 326 | G | 67.9 | Low | 71.2 | Confident | 58 Ų | 58 | 82.4 Ų | 82.4 | 60% | 0.598 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -175.4 | 17.6 | -177 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||
| 327 | K | 80 | Confident | 73.6 | Confident | 127 Ų | 127 | 77.9 Ų | 77.9 | 55% | 0.552 | 44% | 0.435 | S | S | * | . | trans | 47.2 | 65.7 | -171.5 | -68.3 | -175.6 | 173.5 | -177.6 | 0 | 112.5 | C329 G330 D331 | K327-C329 PolarHBondContact O-N 3.46Å; K327-G330 PolarHBondContact O-N 3.4Å; K327-D331 IonicContact NZ-OD1 2.67Å; K327-D331 PolarHBondContact NZ-OD1 3.23Å; K327-D331 IonicContact NZ-OD2 3.71Å | ||
| 328 | P | 84 | Confident | 75.8 | Confident | 35 Ų | 35 | 76.7 Ų | 76.7 | 23% | 0.227 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23.5 | -173 | 24.9 | -34.8 | 0 | 0 | 0 | 113.9 | E322 G330 F342 | E322-P328 VanDerWaalsContact O-CD 3.24Å; E322-P328 WeakPolarHBondContact O-CD 3.35Å; P328-G330 VanDerWaalsContact C-N 3.25Å; P328-G330 PolarHBondContact O-N 3.2Å; P328-F342 HydrophobicContact CB-CD2 4.23Å; P328-F342 HydrophobicContact CB-CE1 4.36Å; P328-F342 HydrophobicContact CB-CE2 3.52Å; P328-F342 HydrophobicContact CB-CZ 3.6Å; P328-F342 HydrophobicContact CG-CD2 3.77Å; P328-F342 HydrophobicContact CG-CE1 4.47Å; P328-F342 HydrophobicContact CG-CE2 3.59Å; P328-F342 HydrophobicContact CG-CG 4.31Å; P328-F342 HydrophobicContact CG-CZ 3.97Å |
| 329 | C | 88.3 | Confident | 77 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.014 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 10.2 | 175.8 | -44 | 0 | 0 | 0 | 0 | 114.6 | K327 N332 G333 C335 C344 L354 | K327-C329 PolarHBondContact O-N 3.46Å; C329-N332 PolarHBondContact O-N 3.18Å; C329-G333 PolarHBondContact O-N 2.66Å; C329-G333 VanDerWaalsContact O-N 3.16Å; C329-C335 WeakPolarHBondContact SG-CA 3.33Å; C329-C335 VanDerWaalsContact SG-CB 3.53Å; C329-C344 WeakPolarHBondContact CA-SG 3.37Å; C329-C344 HydrophobicContact CB-CB 3.64Å; C329-C344 WeakPolarHBondContact CB-SG 3.47Å; C329-C344 WeakPolarHBondContact SG-CA 3.03Å; C329-C344 WeakPolarHBondContact SG-CB 3.26Å; C329-C344 CovalentContact SG-SG 2.03Å; C329-C344 PolarHBondContact SG-SG 2.83Å; C329-L354 CarbonylContact C-O 3.58Å; C329-L354 WeakPolarHBondContact CA-O 3.32Å |
| 330 | G | 85.6 | Confident | 78 | Confident | 40 Ų | 40 | 78.7 Ų | 78.7 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | -148.1 | -169 | 0 | 0 | 0 | 0 | 0 | 112.5 | K327 P328 | K327-G330 PolarHBondContact O-N 3.4Å; P328-G330 VanDerWaalsContact C-N 3.25Å; P328-G330 PolarHBondContact O-N 3.2Å |
| 331 | D | 88.5 | Confident | 78.8 | Confident | 106 Ų | 106 | 78.3 Ų | 78.3 | 57% | 0.567 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 3.4 | 168.8 | -72.4 | -56.9 | 0 | 0 | 0 | 112.8 | K327 K347 | K327-D331 IonicContact NZ-OD1 2.67Å; K327-D331 PolarHBondContact NZ-OD1 3.23Å; K327-D331 IonicContact NZ-OD2 3.71Å; D331-K347 VanDerWaalsContact O-CE 3.32Å; D331-K347 WeakPolarHBondContact O-CE 3.41Å; D331-K347 PolarHBondContact O-NZ 2.93Å |
| 332 | N | 90.4 | Very high | 79.8 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 25% | 0.246 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -8.6 | -174.4 | -70.5 | -8.7 | 0 | 0 | 0 | 114.1 | C329 K347 Y350 C355 | C329-N332 PolarHBondContact O-N 3.18Å; N332-K347 WeakPolarHBondContact O-CB 3.4Å; N332-K347 WeakPolarHBondContact O-CG 3.44Å; N332-K347 PolarHBondContact O-N 2.93Å; N332-Y350 HydrophobicContact CB-CD1 4.01Å; N332-Y350 HydrophobicContact CB-CD2 4.04Å; N332-Y350 HydrophobicContact CB-CE1 4.38Å; N332-Y350 HydrophobicContact CB-CE2 4.4Å; N332-Y350 HydrophobicContact CB-CG 3.82Å; N332-Y350 VanDerWaalsContact ND2-CD1 3.31Å; N332-Y350 WeakPolarHBondContact ND2-CD1 3.26Å; N332-Y350 WeakPolarHBondContact ND2-CE1 3.47Å; N332-C355 HydrophobicContact CB-CB 3.91Å; N332-C355 WeakPolarHBondContact CB-O 3.34Å; N332-C355 PolarHBondContact ND2-O 3.29Å |
| 333 | G | 90.7 | Very high | 80.6 | Confident | 11 Ų | 11 | 79.5 Ų | 79.5 | 11% | 0.113 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 167.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C329 V345 | C329-G333 PolarHBondContact O-N 2.66Å; C329-G333 VanDerWaalsContact O-N 3.16Å; G333-V345 CarbonylContact C-O 3.48Å; G333-V345 WeakPolarHBondContact CA-O 3.37Å |
| 334 | V | 91.3 | Very high | 81.2 | Confident | 86 Ų | 86 | 78.8 Ų | 78.8 | 52% | 0.521 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 121.2 | 170.5 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | V345 | V334-V345 PolarHBondContact N-O 2.89Å; V334-V345 PolarHBondContact O-N 2.95Å |
| 335 | C | 89.7 | Confident | 82.1 | Confident | 30 Ų | 30 | 75 Ų | 75 | 20% | 0.203 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 125.8 | 175.3 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | C323 C329 | C323-C335 WeakPolarHBondContact CA-SG 3.11Å; C323-C335 HydrophobicContact CB-CB 3.57Å; C323-C335 WeakPolarHBondContact CB-SG 3.41Å; C323-C335 VanDerWaalsContact SG-C 3.56Å; C323-C335 WeakPolarHBondContact SG-CB 3.29Å; C323-C335 CovalentContact SG-SG 2.03Å; C323-C335 PolarHBondContact SG-SG 3.24Å; C329-C335 WeakPolarHBondContact SG-CA 3.33Å; C329-C335 VanDerWaalsContact SG-CB 3.53Å |
| 336 | Q | 88.3 | Confident | 83.3 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 48% | 0.477 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126 | 172.1 | -64.5 | -174.1 | -11.2 | 0 | 0 | 108.8 | F342 I343 V345 | Q336-F342 WeakPolarHBondContact O-CA 3.44Å; Q336-I343 HydrophobicContact CB-CG2 3.85Å; Q336-I343 PolarHBondContact N-O 3.07Å; Q336-I343 PolarHBondContact O-N 2.93Å; Q336-V345 VanDerWaalsContact CD-CG2 3.5Å; Q336-V345 HydrophobicContact CG-CG2 4.08Å |
| 337 | K | 78.9 | Confident | 84.5 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 36% | 0.357 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 135.9 | 177.5 | -178.9 | 175.1 | 173.5 | -174.7 | 0 | 111 | E319 | E319-K337 WeakPolarHBondContact OE1-CE 3.48Å; E319-K337 IonicContact OE1-NZ 3.15Å; E319-K337 PolarHBondContact OE1-NZ 2.99Å; E319-K337 IonicContact OE2-NZ 2.63Å; E319-K337 PolarHBondContact OE2-NZ 3.14Å |
| 338 | L | 77.2 | Confident | 84.9 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 44% | 0.44 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 169.6 | 168.4 | -64.3 | 168.9 | 0 | 0 | 0 | 108.7 | N340 D341 I343 | L338-N340 PolarHBondContact O-N 3.46Å; L338-N340 VanDerWaalsContact O-N 3.11Å; L338-D341 CarbonylContact C-O 3.25Å; L338-D341 WeakPolarHBondContact CA-O 3.05Å; L338-D341 HydrophobicContact CB-CB 4.22Å; L338-D341 WeakPolarHBondContact CB-O 3.48Å; L338-D341 PolarHBondContact N-O 2.95Å; L338-D341 PolarHBondContact O-N 3.28Å; L338-I343 HydrophobicContact CD1-CB 3.97Å; L338-I343 HydrophobicContact CD1-CG2 3.96Å; L338-I343 HydrophobicContact CG-CG2 4.22Å |
| 339 | N | 65.3 | Low | 85.3 | Confident | 157 Ų | 157 | 74.5 Ų | 74.5 | 84% | 0.84 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 107.9 | 176.1 | -68 | 2.7 | 0 | 0 | 0 | 109.3 | ||
| 340 | N | 62.7 | Low | 85.5 | Confident | 161 Ų | 161 | 76.1 Ų | 76.1 | 86% | 0.861 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 26.1 | -173.4 | -63.7 | 30.3 | 0 | 0 | 0 | 115.6 | L338 | L338-N340 PolarHBondContact O-N 3.46Å; L338-N340 VanDerWaalsContact O-N 3.11Å |
| 341 | D | 72 | Confident | 85.8 | Confident | 93 Ų | 93 | 77.6 Ų | 77.6 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 174.9 | 171.8 | -151.5 | -13 | 0 | 0 | 0 | 110.7 | L338 | L338-D341 CarbonylContact C-O 3.25Å; L338-D341 WeakPolarHBondContact CA-O 3.05Å; L338-D341 HydrophobicContact CB-CB 4.22Å; L338-D341 WeakPolarHBondContact CB-O 3.48Å; L338-D341 PolarHBondContact N-O 2.95Å; L338-D341 PolarHBondContact O-N 3.28Å |
| 342 | F | 83.6 | Confident | 85.8 | Confident | 52 Ų | 52 | 73.6 Ų | 73.6 | 23% | 0.228 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 151.6 | 167.4 | 70.2 | -86.1 | 0 | 0 | 0 | 111.1 | E322 P328 Q336 L354 | E322-F342 HydrophobicContact CB-CB 4.49Å; E322-F342 HydrophobicContact CB-CD1 3.59Å; E322-F342 HydrophobicContact CB-CE1 4.12Å; E322-F342 HydrophobicContact CB-CG 4.18Å; E322-F342 HydrophobicContact CG-CD1 3.88Å; E322-F342 HydrophobicContact CG-CE1 4.33Å; P328-F342 HydrophobicContact CB-CD2 4.23Å; P328-F342 HydrophobicContact CB-CE1 4.36Å; P328-F342 HydrophobicContact CB-CE2 3.52Å; P328-F342 HydrophobicContact CB-CZ 3.6Å; P328-F342 HydrophobicContact CG-CD2 3.77Å; P328-F342 HydrophobicContact CG-CE1 4.47Å; P328-F342 HydrophobicContact CG-CE2 3.59Å; P328-F342 HydrophobicContact CG-CG 4.31Å; P328-F342 HydrophobicContact CG-CZ 3.97Å; Q336-F342 WeakPolarHBondContact O-CA 3.44Å; F342-L354 HydrophobicContact CE2-CD2 3.72Å; F342-L354 HydrophobicContact CZ-CD2 3.83Å |
| 343 | I | 88.3 | Confident | 85.6 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 43% | 0.426 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.6 | 173.5 | -169.9 | 171.5 | 0 | 0 | 0 | 110.7 | Q336 L338 | Q336-I343 HydrophobicContact CB-CG2 3.85Å; Q336-I343 PolarHBondContact N-O 3.07Å; Q336-I343 PolarHBondContact O-N 2.93Å; L338-I343 HydrophobicContact CD1-CB 3.97Å; L338-I343 HydrophobicContact CD1-CG2 3.96Å; L338-I343 HydrophobicContact CG-CG2 4.22Å |
| 344 | C | 90.8 | Very high | 85.6 | Confident | 14 Ų | 14 | 79.1 Ų | 79.1 | 10% | 0.095 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 109.1 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 110.8 | C329 C346 P353 C355 | C329-C344 WeakPolarHBondContact CA-SG 3.37Å; C329-C344 HydrophobicContact CB-CB 3.64Å; C329-C344 WeakPolarHBondContact CB-SG 3.47Å; C329-C344 WeakPolarHBondContact SG-CA 3.03Å; C329-C344 WeakPolarHBondContact SG-CB 3.26Å; C329-C344 CovalentContact SG-SG 2.03Å; C329-C344 PolarHBondContact SG-SG 2.83Å; C344-C346 PolarHBondContact O-N 2.91Å; C344-P353 WeakPolarHBondContact CB-O 3.35Å; C344-C355 VanDerWaalsContact CB-SG 3.6Å |
| 345 | V | 92.8 | Very high | 85.6 | Confident | 68 Ų | 68 | 75.1 Ų | 75.1 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 103 | 170.2 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | G333 V334 Q336 | G333-V345 CarbonylContact C-O 3.48Å; G333-V345 WeakPolarHBondContact CA-O 3.37Å; V334-V345 PolarHBondContact N-O 2.89Å; V334-V345 PolarHBondContact O-N 2.95Å; Q336-V345 VanDerWaalsContact CD-CG2 3.5Å; Q336-V345 HydrophobicContact CG-CG2 4.08Å |
| 346 | C | 92.5 | Very high | 85.6 | Confident | 40 Ų | 40 | 78.5 Ų | 78.5 | 27% | 0.27 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 145.4 | -174.7 | -55 | 0 | 0 | 0 | 0 | 112.9 | C344 Y350 C355 | C344-C346 PolarHBondContact O-N 2.91Å; C346-Y350 VanDerWaalsContact CB-O 3.29Å; C346-Y350 WeakPolarHBondContact CB-O 3.47Å; C346-C355 WeakPolarHBondContact CA-SG 3.47Å; C346-C355 HydrophobicContact CB-CB 3.79Å; C346-C355 WeakPolarHBondContact CB-SG 3.4Å; C346-C355 PolarHBondContact N-SG 3.11Å; C346-C355 WeakPolarHBondContact SG-CA 3.03Å; C346-C355 WeakPolarHBondContact SG-CB 3Å; C346-C355 CovalentContact SG-SG 2.04Å; C346-C355 PolarHBondContact SG-SG 3.21Å |
| 347 | K | 92.5 | Very high | 85.7 | Confident | 109 Ų | 109 | 78 Ų | 78 | 47% | 0.474 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 154.1 | 166.1 | -65.8 | 174.1 | -179.8 | 175.9 | 0 | 109.1 | D331 N332 G349 Y350 | D331-K347 VanDerWaalsContact O-CE 3.32Å; D331-K347 WeakPolarHBondContact O-CE 3.41Å; D331-K347 PolarHBondContact O-NZ 2.93Å; N332-K347 WeakPolarHBondContact O-CB 3.4Å; N332-K347 WeakPolarHBondContact O-CG 3.44Å; N332-K347 PolarHBondContact O-N 2.93Å; K347-G349 PolarHBondContact O-N 3.39Å; K347-Y350 HydrophobicContact CB-CD2 4.29Å; K347-Y350 PolarHBondContact O-N 3.11Å |
| 348 | Q | 90.5 | Very high | 86.3 | Confident | 191 Ų | 191 | 76.4 Ų | 76.4 | 89% | 0.893 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 136.7 | 171.8 | -170.8 | 172.3 | 9 | 0 | 0 | 110.2 | ||
| 349 | G | 90.4 | Very high | 86.9 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | -6.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K347 V359 | K347-G349 PolarHBondContact O-N 3.39Å; G349-V359 WeakPolarHBondContact O-CB 3.16Å; G349-V359 PolarHBondContact O-N 3.12Å |
| 350 | Y | 93.9 | Very high | 88.1 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 14% | 0.141 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.7 | -177.5 | -63.4 | -78.4 | 0 | 0 | 0 | 114.5 | N332 C346 K347 L357 N378 | N332-Y350 HydrophobicContact CB-CD1 4.01Å; N332-Y350 HydrophobicContact CB-CD2 4.04Å; N332-Y350 HydrophobicContact CB-CE1 4.38Å; N332-Y350 HydrophobicContact CB-CE2 4.4Å; N332-Y350 HydrophobicContact CB-CG 3.82Å; N332-Y350 VanDerWaalsContact ND2-CD1 3.31Å; N332-Y350 WeakPolarHBondContact ND2-CD1 3.26Å; N332-Y350 WeakPolarHBondContact ND2-CE1 3.47Å; C346-Y350 VanDerWaalsContact CB-O 3.29Å; C346-Y350 WeakPolarHBondContact CB-O 3.47Å; K347-Y350 HydrophobicContact CB-CD2 4.29Å; K347-Y350 PolarHBondContact O-N 3.11Å; Y350-L357 CarbonylContact C-O 3.36Å; Y350-L357 WeakPolarHBondContact CA-O 3.5Å; Y350-N378 PolarHBondContact OH-ND2 3.18Å; Y350-N378 PolarHBondContact OH-O 3.18Å |
| 351 | T | 90.7 | Very high | 89.5 | Confident | 71 Ų | 71 | 63.7 Ų | 63.7 | 44% | 0.436 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | -178.3 | -177.7 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | C355 Q356 L357 V359 | T351-C355 CarbonylContact O-C 3.5Å; T351-C355 VanDerWaalsContact O-CA 3.31Å; T351-C355 WeakPolarHBondContact O-CA 3.34Å; T351-Q356 PolarHBondContact O-N 3.34Å; T351-L357 HydrophobicContact CG2-CB 3.81Å; T351-L357 PolarHBondContact N-O 2.88Å; T351-L357 WeakPolarHBondContact O-CB 3.48Å; T351-L357 PolarHBondContact O-N 2.81Å; T351-V359 HydrophobicContact CG2-CG2 3.73Å |
| 352 | G | 88.8 | Confident | 90.3 | Very high | 21 Ų | 21 | 61.2 Ų | 61.2 | 22% | 0.216 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 84.9 | 160.7 | -172 | 0 | 0 | 0 | 0 | 0 | 113 | L354 C355 | G352-L354 PolarHBondContact O-N 2.04Å; G352-L354 VanDerWaalsContact O-N 3.1Å; G352-C355 PolarHBondContact O-N 3.18Å |
| 353 | P | 87.5 | Confident | 90.5 | Very high | 101 Ų | 101 | 65.3 Ų | 65.3 | 66% | 0.656 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -18.9 | -170.6 | 25.5 | -36 | 0 | 0 | 0 | 114.8 | C344 | C344-P353 WeakPolarHBondContact CB-O 3.35Š|
| 354 | L | 89.6 | Confident | 90.1 | Very high | 73 Ų | 73 | 66.2 Ų | 66.2 | 38% | 0.382 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 16 | 177.2 | -56.5 | 178.4 | 0 | 0 | 0 | 111.8 | C329 F342 G352 Q356 | C329-L354 CarbonylContact C-O 3.58Å; C329-L354 WeakPolarHBondContact CA-O 3.32Å; F342-L354 HydrophobicContact CE2-CD2 3.72Å; F342-L354 HydrophobicContact CZ-CD2 3.83Å; G352-L354 PolarHBondContact O-N 2.04Å; G352-L354 VanDerWaalsContact O-N 3.1Å; L354-Q356 HydrophobicContact CB-CB 4.5Å; L354-Q356 PolarHBondContact O-N 2.95Å; L354-Q356 VanDerWaalsContact O-N 3.15Å |
| 355 | C | 91.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.007 | 39% | 0.392 | C | S | . | . | S | Bend | trans | 55.3 | 27.6 | -174.6 | -50.1 | 0 | 0 | 0 | 0 | 114.1 | N332 C344 C346 T351 G352 | N332-C355 HydrophobicContact CB-CB 3.91Å; N332-C355 WeakPolarHBondContact CB-O 3.34Å; N332-C355 PolarHBondContact ND2-O 3.29Å; C344-C355 VanDerWaalsContact CB-SG 3.6Å; C346-C355 WeakPolarHBondContact CA-SG 3.47Å; C346-C355 HydrophobicContact CB-CB 3.79Å; C346-C355 WeakPolarHBondContact CB-SG 3.4Å; C346-C355 PolarHBondContact N-SG 3.11Å; C346-C355 WeakPolarHBondContact SG-CA 3.03Å; C346-C355 WeakPolarHBondContact SG-CB 3Å; C346-C355 CovalentContact SG-SG 2.04Å; C346-C355 PolarHBondContact SG-SG 3.21Å; T351-C355 CarbonylContact O-C 3.5Å; T351-C355 VanDerWaalsContact O-CA 3.31Å; T351-C355 WeakPolarHBondContact O-CA 3.34Å; G352-C355 PolarHBondContact O-N 3.18Å |
| 356 | Q | 89.7 | Confident | 88.2 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 48% | 0.477 | 41% | 0.41 | S | S | . | . | trans | -87.6 | -5.4 | -174.8 | 81.3 | -75.7 | 15.1 | 0 | 0 | 113.7 | T351 L354 | T351-Q356 PolarHBondContact O-N 3.34Å; L354-Q356 HydrophobicContact CB-CB 4.5Å; L354-Q356 PolarHBondContact O-N 2.95Å; L354-Q356 VanDerWaalsContact O-N 3.15Å | ||
| 357 | L | 90.9 | Very high | 87.9 | Confident | 91 Ų | 91 | 76.7 Ų | 76.7 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 134.3 | 179.3 | -56.3 | 177.3 | 0 | 0 | 0 | 110.1 | Y350 T351 | Y350-L357 CarbonylContact C-O 3.36Å; Y350-L357 WeakPolarHBondContact CA-O 3.5Å; T351-L357 HydrophobicContact CG2-CB 3.81Å; T351-L357 PolarHBondContact N-O 2.88Å; T351-L357 WeakPolarHBondContact O-CB 3.48Å; T351-L357 PolarHBondContact O-N 2.81Å |
| 358 | D | 92.4 | Very high | 87.7 | Confident | 49 Ų | 49 | 72.4 Ų | 72.4 | 26% | 0.262 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 139.9 | 170.6 | -175.6 | 42.4 | 0 | 0 | 0 | 110.5 | N360 N376 N378 G379 | D358-N360 PolarHBondContact O-N 3.35Å; D358-N376 PolarHBondContact OD2-ND2 2.81Å; D358-N378 WeakPolarHBondContact OD1-CA 3.29Å; D358-G379 PolarHBondContact OD1-N 3.21Å |
| 359 | V | 90 | Very high | 87.4 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | trans | -88.7 | 104.9 | 176.8 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | G349 T351 E361 N376 | G349-V359 WeakPolarHBondContact O-CB 3.16Å; G349-V359 PolarHBondContact O-N 3.12Å; T351-V359 HydrophobicContact CG2-CG2 3.73Å; V359-E361 HydrophobicContact CG1-CG 4.2Å; V359-E361 PolarHBondContact O-N 2.83Å; V359-N376 PolarHBondContact O-OD1 2.87Å | ||
| 360 | N | 90.5 | Very high | 87.1 | Confident | 66 Ų | 66 | 67.5 Ų | 67.5 | 35% | 0.353 | 37% | 0.369 | S | S | . | . | trans | -70.8 | 88.6 | 177.6 | -174.6 | -8.6 | 0 | 0 | 0 | 111.6 | D358 C362 L363 N376 | D358-N360 PolarHBondContact O-N 3.35Å; N360-C362 PolarHBondContact O-N 2.92Å; N360-C362 WeakPolarHBondContact OD1-CB 3.33Å; N360-C362 PolarHBondContact OD1-N 2.9Å; N360-L363 HydrophobicContact CB-CD1 4.1Å; N360-L363 HydrophobicContact CB-CG 4.24Å; N360-L363 WeakPolarHBondContact O-CB 3.36Å; N360-L363 PolarHBondContact O-N 3.21Å; N360-L363 VanDerWaalsContact O-N 3.09Å; N360-N376 WeakPolarHBondContact CA-OD1 3.28Å; N360-N376 WeakPolarHBondContact OD1-CB 3.26Å | ||
| 361 | E | 90.9 | Very high | 86.3 | Confident | 24 Ų | 24 | 73 Ų | 73 | 11% | 0.112 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -68.8 | -16.9 | -176.3 | -59.1 | 121.3 | 145 | 0 | 0 | 112.6 | V359 L363 L364 V367 N376 S380 Y381 | V359-E361 HydrophobicContact CG1-CG 4.2Å; V359-E361 PolarHBondContact O-N 2.83Å; E361-L363 PolarHBondContact O-N 3.21Å; E361-L364 HydrophobicContact CB-CD1 4.27Å; E361-L364 HydrophobicContact CG-CD1 4.36Å; E361-L364 WeakPolarHBondContact O-CB 3Å; E361-L364 PolarHBondContact O-N 2.6Å; E361-V367 HydrophobicContact CB-CG1 4.47Å; E361-V367 WeakPolarHBondContact O-CG2 3.07Å; E361-N376 PolarHBondContact N-OD1 2.94Å; E361-S380 WeakPolarHBondContact OE2-CA 3.21Å; E361-Y381 HydrophobicContact CB-CD1 3.62Å; E361-Y381 HydrophobicContact CB-CE1 4.4Å; E361-Y381 HydrophobicContact CB-CG 4.2Å; E361-Y381 HydrophobicContact CG-CD1 3.97Å; E361-Y381 WeakPolarHBondContact OE2-CD1 3.14Å; E361-Y381 PolarHBondContact OE2-N 3.25Å |
| 362 | C | 89.5 | Confident | 86.1 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 28% | 0.277 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -69.7 | -7.3 | 172.1 | -56.8 | 0 | 0 | 0 | 0 | 113.9 | N360 C374 T375 N376 | N360-C362 PolarHBondContact O-N 2.92Å; N360-C362 WeakPolarHBondContact OD1-CB 3.33Å; N360-C362 PolarHBondContact OD1-N 2.9Å; C362-C374 WeakPolarHBondContact CA-SG 3.44Å; C362-C374 HydrophobicContact CB-CB 3.68Å; C362-C374 WeakPolarHBondContact CB-SG 3.38Å; C362-C374 WeakPolarHBondContact SG-CB 3.47Å; C362-C374 CovalentContact SG-SG 2.03Å; C362-C374 PolarHBondContact SG-SG 2.03Å; C362-T375 VanDerWaalsContact SG-C 3.51Å; C362-N376 PolarHBondContact SG-N 3.25Å; C362-N376 VanDerWaalsContact SG-N 3.37Å |
| 363 | L | 86.9 | Confident | 86.1 | Confident | 138 Ų | 138 | 77.2 Ų | 77.2 | 72% | 0.723 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -90.9 | -3 | 168.3 | -59.8 | 178.1 | 0 | 0 | 0 | 112.9 | N360 E361 | N360-L363 HydrophobicContact CB-CD1 4.1Å; N360-L363 HydrophobicContact CB-CG 4.24Å; N360-L363 WeakPolarHBondContact O-CB 3.36Å; N360-L363 PolarHBondContact O-N 3.21Å; N360-L363 VanDerWaalsContact O-N 3.09Å; E361-L363 PolarHBondContact O-N 3.21Å |
| 364 | L | 80.4 | Confident | 86.3 | Confident | 102 Ų | 102 | 73.8 Ų | 73.8 | 53% | 0.534 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -93.8 | 121.1 | 174 | -55 | 174.3 | 0 | 0 | 0 | 108.8 | E361 H366 V367 | E361-L364 HydrophobicContact CB-CD1 4.27Å; E361-L364 HydrophobicContact CG-CD1 4.36Å; E361-L364 WeakPolarHBondContact O-CB 3Å; E361-L364 PolarHBondContact O-N 2.6Å; L364-H366 PolarHBondContact O-N 3.19Å; L364-V367 HydrophobicContact CB-CG2 3.76Å |
| 365 | N | 69.7 | Low | 86.4 | Confident | 144 Ų | 144 | 73.1 Ų | 73.1 | 77% | 0.77 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 140 | 179.5 | -79.5 | -4.1 | 0 | 0 | 0 | 111.5 | V367 | N365-V367 PolarHBondContact O-N 3.17Š|
| 366 | H | 74.3 | Confident | 86.5 | Confident | 170 Ų | 170 | 75.3 Ų | 75.3 | 79% | 0.787 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 16.2 | 175.8 | -42.7 | -71.2 | 0 | 0 | 0 | 117 | L364 C368 | L364-H366 PolarHBondContact O-N 3.19Å; H366-C368 VanDerWaalsContact C-N 3.31Å; H366-C368 PolarHBondContact O-N 2.63Å |
| 367 | V | 86.5 | Confident | 86.5 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 16% | 0.164 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -63.9 | -35.4 | 170.6 | 168.2 | 0 | 0 | 0 | 0 | 112.6 | E361 L364 N365 Y381 T393 | E361-V367 HydrophobicContact CB-CG1 4.47Å; E361-V367 WeakPolarHBondContact O-CG2 3.07Å; L364-V367 HydrophobicContact CB-CG2 3.76Å; N365-V367 PolarHBondContact O-N 3.17Å; V367-Y381 HydrophobicContact CG1-CD1 3.81Å; V367-Y381 HydrophobicContact CG1-CD2 3.53Å; V367-Y381 HydrophobicContact CG1-CE1 3.73Å; V367-Y381 HydrophobicContact CG1-CE2 3.47Å; V367-Y381 VanDerWaalsContact CG1-CE2 3.47Å; V367-Y381 HydrophobicContact CG1-CG 3.72Å; V367-T393 VanDerWaalsContact O-CB 3.28Å; V367-T393 WeakPolarHBondContact O-CB 3.44Å; V367-T393 WeakPolarHBondContact O-CG2 3.3Å |
| 368 | C | 88.4 | Confident | 86.6 | Confident | 20 Ų | 20 | 74.9 Ų | 74.9 | 14% | 0.135 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -120.6 | 92.4 | 170.4 | -54.3 | 0 | 0 | 0 | 0 | 109.7 | H366 A372 C374 C383 | H366-C368 VanDerWaalsContact C-N 3.31Å; H366-C368 PolarHBondContact O-N 2.63Å; C368-A372 HydrophobicContact CB-CB 4.08Å; C368-C374 HydrophobicContact CB-CB 4.34Å; C368-C374 WeakPolarHBondContact SG-CB 3.49Å; C368-C374 VanDerWaalsContact SG-SG 3.61Å; C368-C383 VanDerWaalsContact CA-SG 3.58Å; C368-C383 HydrophobicContact CB-CB 3.82Å; C368-C383 WeakPolarHBondContact CB-SG 3.46Å; C368-C383 VanDerWaalsContact SG-CA 3.6Å; C368-C383 WeakPolarHBondContact SG-CB 3.11Å; C368-C383 CovalentContact SG-SG 2.03Å; C368-C383 PolarHBondContact SG-SG 2.65Å |
| 369 | P | 84.4 | Confident | 86.4 | Confident | 42 Ų | 42 | 73.6 Ų | 73.6 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | trans | -58 | 179.3 | 169.5 | 21.4 | -36 | 0 | 0 | 0 | 114.5 | N371 A372 T393 E395 | P369-N371 PolarHBondContact O-N 2.75Å; P369-N371 VanDerWaalsContact O-N 3.16Å; P369-A372 WeakPolarHBondContact O-CB 3.29Å; P369-A372 PolarHBondContact O-N 3.24Å; P369-T393 WeakPolarHBondContact CD-O 3.3Å; P369-T393 WeakPolarHBondContact CG-O 3.26Å; P369-E395 HydrophobicContact CG-CB 4.22Å | ||
| 370 | N | 82.2 | Confident | 86.4 | Confident | 54 Ų | 54 | 72.9 Ų | 72.9 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 34.6 | 171.8 | -57.4 | -36.8 | 0 | 0 | 0 | 114.3 | A372 N386 Y389 C394 | N370-A372 PolarHBondContact O-N 2.04Å; N370-A372 VanDerWaalsContact O-N 3.14Å; N370-N386 PolarHBondContact O-ND2 3.06Å; N370-Y389 HydrophobicContact CB-CD1 3.76Å; N370-Y389 HydrophobicContact CB-CD2 4.07Å; N370-Y389 HydrophobicContact CB-CE1 3.7Å; N370-Y389 HydrophobicContact CB-CE2 4.02Å; N370-Y389 HydrophobicContact CB-CG 3.93Å; N370-Y389 VanDerWaalsContact ND2-CD1 3.28Å; N370-Y389 WeakPolarHBondContact ND2-CD1 3.47Å; N370-Y389 VanDerWaalsContact ND2-CE1 3.31Å; N370-Y389 WeakPolarHBondContact ND2-CE1 3.03Å; N370-C394 PolarHBondContact ND2-O 3.17Å |
| 371 | N | 78.8 | Confident | 86.4 | Confident | 152 Ų | 152 | 71.9 Ų | 71.9 | 81% | 0.813 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 24.8 | -174.9 | -68.3 | 3.8 | 0 | 0 | 0 | 114.4 | P369 N386 | P369-N371 PolarHBondContact O-N 2.75Å; P369-N371 VanDerWaalsContact O-N 3.16Å; N371-N386 PolarHBondContact O-ND2 3.29Å |
| 372 | A | 86.6 | Confident | 86.4 | Confident | 11 Ų | 11 | 77.8 Ų | 77.8 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | trans | -68 | 144.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C368 P369 N370 C374 A384 C394 | C368-A372 HydrophobicContact CB-CB 4.08Å; P369-A372 WeakPolarHBondContact O-CB 3.29Å; P369-A372 PolarHBondContact O-N 3.24Å; N370-A372 PolarHBondContact O-N 2.04Å; N370-A372 VanDerWaalsContact O-N 3.14Å; A372-C374 PolarHBondContact O-N 2.79Å; A372-A384 WeakPolarHBondContact CB-O 3.48Å; A372-C394 HydrophobicContact CB-CB 3.52Å; A372-C394 WeakPolarHBondContact CB-SG 3.23Å | ||
| 373 | Y | 88.8 | Confident | 86.6 | Confident | 168 Ų | 168 | 75.9 Ų | 75.9 | 66% | 0.659 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 110.7 | -172.3 | -177.7 | -92.5 | 0 | 0 | 0 | 111.4 | A384 | Y373-A384 PolarHBondContact N-O 3.02Å; Y373-A384 PolarHBondContact O-N 2.95Å |
| 374 | C | 91.7 | Very high | 86.8 | Confident | 30 Ų | 30 | 71 Ų | 71 | 20% | 0.203 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 129.2 | 178.2 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | C362 C368 A372 | C362-C374 WeakPolarHBondContact CA-SG 3.44Å; C362-C374 HydrophobicContact CB-CB 3.68Å; C362-C374 WeakPolarHBondContact CB-SG 3.38Å; C362-C374 WeakPolarHBondContact SG-CB 3.47Å; C362-C374 CovalentContact SG-SG 2.03Å; C362-C374 PolarHBondContact SG-SG 2.03Å; C368-C374 HydrophobicContact CB-CB 4.34Å; C368-C374 WeakPolarHBondContact SG-CB 3.49Å; C368-C374 VanDerWaalsContact SG-SG 3.61Å; A372-C374 PolarHBondContact O-N 2.79Å |
| 375 | T | 91.5 | Very high | 87.2 | Confident | 59 Ų | 59 | 68.4 Ų | 68.4 | 36% | 0.362 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121.6 | 168.4 | -54.4 | 0 | 0 | 0 | 0 | 109.6 | C362 Y381 Y382 | C362-T375 VanDerWaalsContact SG-C 3.51Å; T375-Y381 CarbonylContact O-C 3.4Å; T375-Y381 WeakPolarHBondContact O-CA 3.31Å; T375-Y382 PolarHBondContact N-O 3.45Å; T375-Y382 PolarHBondContact O-N 3.47Å |
| 376 | N | 92.2 | Very high | 88 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 139.4 | 175 | -171 | 59.3 | 0 | 0 | 0 | 110.8 | D358 V359 N360 E361 C362 | D358-N376 PolarHBondContact OD2-ND2 2.81Å; V359-N376 PolarHBondContact O-OD1 2.87Å; N360-N376 WeakPolarHBondContact CA-OD1 3.28Å; N360-N376 WeakPolarHBondContact OD1-CB 3.26Å; E361-N376 PolarHBondContact N-OD1 2.94Å; C362-N376 PolarHBondContact SG-N 3.25Å; C362-N376 VanDerWaalsContact SG-N 3.37Å |
| 377 | T | 90.9 | Very high | 88.6 | Confident | 68 Ų | 68 | 66 Ų | 66 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 157.4 | 174.6 | 86.3 | 0 | 0 | 0 | 0 | 109.9 | G379 S380 | T377-G379 PolarHBondContact O-N 3.5Å; T377-S380 CarbonylContact C-O 3.37Å; T377-S380 VanDerWaalsContact CA-O 3.28Å; T377-S380 WeakPolarHBondContact CA-O 3.29Å; T377-S380 VanDerWaalsContact CB-O 3.27Å; T377-S380 WeakPolarHBondContact CB-O 3.01Å; T377-S380 PolarHBondContact N-O 3.48Å; T377-S380 CarbonylContact O-C 3.59Å; T377-S380 PolarHBondContact O-N 2.03Å; T377-S380 PolarHBondContact OG1-O 2.91Å |
| 378 | N | 91.5 | Very high | 88.6 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 62% | 0.62 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 100.9 | -171.5 | 178.6 | 80.6 | 0 | 0 | 0 | 112.3 | Y350 D358 | Y350-N378 PolarHBondContact OH-ND2 3.18Å; Y350-N378 PolarHBondContact OH-O 3.18Å; D358-N378 WeakPolarHBondContact OD1-CA 3.29Å |
| 379 | G | 88.6 | Confident | 88.8 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 22% | 0.216 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 6.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | D358 T377 | D358-G379 PolarHBondContact OD1-N 3.21Å; T377-G379 PolarHBondContact O-N 3.5Å |
| 380 | S | 90.8 | Very high | 89 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 21% | 0.21 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | 148.7 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | E361 T377 R392 | E361-S380 WeakPolarHBondContact OE2-CA 3.21Å; T377-S380 CarbonylContact C-O 3.37Å; T377-S380 VanDerWaalsContact CA-O 3.28Å; T377-S380 WeakPolarHBondContact CA-O 3.29Å; T377-S380 VanDerWaalsContact CB-O 3.27Å; T377-S380 WeakPolarHBondContact CB-O 3.01Å; T377-S380 PolarHBondContact N-O 3.48Å; T377-S380 CarbonylContact O-C 3.59Å; T377-S380 PolarHBondContact O-N 2.03Å; T377-S380 PolarHBondContact OG1-O 2.91Å; S380-R392 PolarHBondContact OG-NH2 3.12Å |
| 381 | Y | 90.8 | Very high | 89.4 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 167.6 | 163.6 | 68 | -82.3 | 0 | 0 | 0 | 114.3 | E361 V367 T375 T393 | E361-Y381 HydrophobicContact CB-CD1 3.62Å; E361-Y381 HydrophobicContact CB-CE1 4.4Å; E361-Y381 HydrophobicContact CB-CG 4.2Å; E361-Y381 HydrophobicContact CG-CD1 3.97Å; E361-Y381 WeakPolarHBondContact OE2-CD1 3.14Å; E361-Y381 PolarHBondContact OE2-N 3.25Å; V367-Y381 HydrophobicContact CG1-CD1 3.81Å; V367-Y381 HydrophobicContact CG1-CD2 3.53Å; V367-Y381 HydrophobicContact CG1-CE1 3.73Å; V367-Y381 HydrophobicContact CG1-CE2 3.47Å; V367-Y381 VanDerWaalsContact CG1-CE2 3.47Å; V367-Y381 HydrophobicContact CG1-CG 3.72Å; T375-Y381 CarbonylContact O-C 3.4Å; T375-Y381 WeakPolarHBondContact O-CA 3.31Å; Y381-T393 HydrophobicContact CE2-CG2 3.94Å; Y381-T393 VanDerWaalsContact OH-CG2 3.27Å; Y381-T393 WeakPolarHBondContact OH-CG2 3.47Å |
| 382 | Y | 90.6 | Very high | 89.8 | Confident | 148 Ų | 148 | 67.2 Ų | 67.2 | 58% | 0.58 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 132.3 | 163.7 | 167.5 | -99.3 | 0 | 0 | 0 | 110 | T375 A384 | T375-Y382 PolarHBondContact N-O 3.45Å; T375-Y382 PolarHBondContact O-N 3.47Å; Y382-A384 HydrophobicContact CE1-CB 3.89Å |
| 383 | C | 92.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.014 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.2 | 172.7 | -58 | 0 | 0 | 0 | 0 | 110.3 | C368 C394 | C368-C383 VanDerWaalsContact CA-SG 3.58Å; C368-C383 HydrophobicContact CB-CB 3.82Å; C368-C383 WeakPolarHBondContact CB-SG 3.46Å; C368-C383 VanDerWaalsContact SG-CA 3.6Å; C368-C383 WeakPolarHBondContact SG-CB 3.11Å; C368-C383 CovalentContact SG-SG 2.03Å; C368-C383 PolarHBondContact SG-SG 2.65Å; C383-C394 VanDerWaalsContact CB-SG 3.57Å |
| 384 | A | 90.9 | Very high | 89.9 | Confident | 34 Ų | 34 | 60.2 Ų | 60.2 | 28% | 0.281 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 107.2 | 168 | 0 | 0 | 0 | 0 | 0 | 109.5 | A372 Y373 Y382 | A372-A384 WeakPolarHBondContact CB-O 3.48Å; Y373-A384 PolarHBondContact N-O 3.02Å; Y373-A384 PolarHBondContact O-N 2.95Å; Y382-A384 HydrophobicContact CE1-CB 3.89Å |
| 385 | C | 89.8 | Confident | 89.8 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 32% | 0.324 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -69 | 145.5 | -176.4 | -50.6 | 0 | 0 | 0 | 0 | 112.4 | Y389 C394 | C385-Y389 WeakPolarHBondContact CB-O 3.03Å; C385-C394 WeakPolarHBondContact CA-SG 3.45Å; C385-C394 HydrophobicContact CB-CB 3.68Å; C385-C394 WeakPolarHBondContact CB-SG 3.23Å; C385-C394 PolarHBondContact N-SG 3.31Å; C385-C394 VanDerWaalsContact SG-CA 3.5Å; C385-C394 WeakPolarHBondContact SG-CB 3.35Å; C385-C394 CovalentContact SG-SG 2.04Å; C385-C394 PolarHBondContact SG-SG 2.03Å |
| 386 | N | 87.2 | Confident | 89.7 | Confident | 71 Ų | 71 | 63 Ų | 63 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 160.7 | 167.2 | -66.5 | -44 | 0 | 0 | 0 | 110.1 | N370 N371 Y389 | N370-N386 PolarHBondContact O-ND2 3.06Å; N371-N386 PolarHBondContact O-ND2 3.29Å; N386-Y389 HydrophobicContact CB-CD2 4.42Å; N386-Y389 PolarHBondContact O-N 2.82Å; N386-Y389 VanDerWaalsContact O-N 3.16Å |
| 387 | E | 85.6 | Confident | 89.7 | Confident | 192 Ų | 192 | 63.5 Ų | 63.5 | 90% | 0.897 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 141.2 | 170.8 | -61.9 | -178.1 | 160.5 | 0 | 0 | 109.7 | ||
| 388 | G | 87.3 | Confident | 89.6 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | -7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | V398 | G388-V398 WeakPolarHBondContact O-CG2 3.18Å; G388-V398 PolarHBondContact O-N 3.01Å |
| 389 | Y | 92 | Very high | 89.5 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 17% | 0.169 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 151.3 | -176.3 | -63.5 | -81.9 | 0 | 0 | 0 | 114.8 | N370 C385 N386 S396 N417 G418 | N370-Y389 HydrophobicContact CB-CD1 3.76Å; N370-Y389 HydrophobicContact CB-CD2 4.07Å; N370-Y389 HydrophobicContact CB-CE1 3.7Å; N370-Y389 HydrophobicContact CB-CE2 4.02Å; N370-Y389 HydrophobicContact CB-CG 3.93Å; N370-Y389 VanDerWaalsContact ND2-CD1 3.28Å; N370-Y389 WeakPolarHBondContact ND2-CD1 3.47Å; N370-Y389 VanDerWaalsContact ND2-CE1 3.31Å; N370-Y389 WeakPolarHBondContact ND2-CE1 3.03Å; C385-Y389 WeakPolarHBondContact CB-O 3.03Å; N386-Y389 HydrophobicContact CB-CD2 4.42Å; N386-Y389 PolarHBondContact O-N 2.82Å; N386-Y389 VanDerWaalsContact O-N 3.16Å; Y389-S396 WeakPolarHBondContact CA-O 3.13Å; Y389-N417 PolarHBondContact OH-ND2 3.41Å; Y389-N417 PolarHBondContact OH-O 3.32Å; Y389-G418 VanDerWaalsContact CZ-CA 3.46Å; Y389-G418 WeakPolarHBondContact OH-CA 3.33Å |
| 390 | T | 89.4 | Confident | 89.5 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 179.2 | -179.2 | -166.8 | 0 | 0 | 0 | 0 | 112 | C394 E395 S396 V398 | T390-C394 CarbonylContact O-C 3.43Å; T390-C394 VanDerWaalsContact O-CA 3.31Å; T390-C394 WeakPolarHBondContact O-CA 3.34Å; T390-E395 PolarHBondContact O-N 2.94Å; T390-S396 PolarHBondContact N-O 3.31Å; T390-S396 WeakPolarHBondContact O-CB 3.41Å; T390-S396 PolarHBondContact O-N 2.03Å; T390-V398 HydrophobicContact CG2-CG2 3.94Å |
| 391 | G | 89 | Confident | 89.5 | Confident | 35 Ų | 35 | 62.3 Ų | 62.3 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 99.8 | 178 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E395 | G391-E395 VanDerWaalsContact C-OE2 3.26Å; G391-E395 VanDerWaalsContact CA-OE2 3.27Å; G391-E395 WeakPolarHBondContact CA-OE2 3.39Å |
| 392 | R | 87.5 | Confident | 89.3 | Confident | 159 Ų | 159 | 63.8 Ų | 63.8 | 60% | 0.6 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -78.4 | -31.1 | -177.6 | -179.7 | 177 | 175 | -168.5 | -1.7 | 111.9 | S380 E395 | S380-R392 PolarHBondContact OG-NH2 3.12Å; R392-E395 PolarHBondContact N-OE2 3.39Å; R392-E395 VanDerWaalsContact N-OE2 3.11Å |
| 393 | T | 88.3 | Confident | 88.8 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -105.9 | 7.2 | 176.9 | 49.5 | 0 | 0 | 0 | 0 | 112 | V367 P369 Y381 E395 | V367-T393 VanDerWaalsContact O-CB 3.28Å; V367-T393 WeakPolarHBondContact O-CB 3.44Å; V367-T393 WeakPolarHBondContact O-CG2 3.3Å; P369-T393 WeakPolarHBondContact CD-O 3.3Å; P369-T393 WeakPolarHBondContact CG-O 3.26Å; Y381-T393 HydrophobicContact CE2-CG2 3.94Å; Y381-T393 VanDerWaalsContact OH-CG2 3.27Å; Y381-T393 WeakPolarHBondContact OH-CG2 3.47Å; T393-E395 WeakPolarHBondContact CA-OE2 3.39Å; T393-E395 PolarHBondContact N-OE2 3.3Å; T393-E395 PolarHBondContact O-N 2.99Å; T393-E395 VanDerWaalsContact OG1-CD 3.24Å; T393-E395 PolarHBondContact OG1-OE2 2.92Å; T393-E395 VanDerWaalsContact OG1-OE2 3.05Å |
| 394 | C | 90.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.38 | C | S | . | . | S | Bend | trans | 64.5 | 30.8 | -175.6 | -48.2 | 0 | 0 | 0 | 0 | 112.9 | N370 A372 C383 C385 T390 | N370-C394 PolarHBondContact ND2-O 3.17Å; A372-C394 HydrophobicContact CB-CB 3.52Å; A372-C394 WeakPolarHBondContact CB-SG 3.23Å; C383-C394 VanDerWaalsContact CB-SG 3.57Å; C385-C394 WeakPolarHBondContact CA-SG 3.45Å; C385-C394 HydrophobicContact CB-CB 3.68Å; C385-C394 WeakPolarHBondContact CB-SG 3.23Å; C385-C394 PolarHBondContact N-SG 3.31Å; C385-C394 VanDerWaalsContact SG-CA 3.5Å; C385-C394 WeakPolarHBondContact SG-CB 3.35Å; C385-C394 CovalentContact SG-SG 2.04Å; C385-C394 PolarHBondContact SG-SG 2.03Å; T390-C394 CarbonylContact O-C 3.43Å; T390-C394 VanDerWaalsContact O-CA 3.31Å; T390-C394 WeakPolarHBondContact O-CA 3.34Å |
| 395 | E | 89.5 | Confident | 87.4 | Confident | 95 Ų | 95 | 71.7 Ų | 71.7 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | trans | -81.2 | -17.6 | -174.5 | 71.6 | -79.4 | -160.1 | 0 | 0 | 114.2 | P369 T390 G391 R392 T393 | P369-E395 HydrophobicContact CG-CB 4.22Å; T390-E395 PolarHBondContact O-N 2.94Å; G391-E395 VanDerWaalsContact C-OE2 3.26Å; G391-E395 VanDerWaalsContact CA-OE2 3.27Å; G391-E395 WeakPolarHBondContact CA-OE2 3.39Å; R392-E395 PolarHBondContact N-OE2 3.39Å; R392-E395 VanDerWaalsContact N-OE2 3.11Å; T393-E395 WeakPolarHBondContact CA-OE2 3.39Å; T393-E395 PolarHBondContact N-OE2 3.3Å; T393-E395 PolarHBondContact O-N 2.99Å; T393-E395 VanDerWaalsContact OG1-CD 3.24Å; T393-E395 PolarHBondContact OG1-OE2 2.92Å; T393-E395 VanDerWaalsContact OG1-OE2 3.05Å | ||
| 396 | S | 89.9 | Confident | 87.2 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 135.2 | -175.3 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | Y389 T390 | Y389-S396 WeakPolarHBondContact CA-O 3.13Å; T390-S396 PolarHBondContact N-O 3.31Å; T390-S396 WeakPolarHBondContact O-CB 3.41Å; T390-S396 PolarHBondContact O-N 2.03Å |
| 397 | D | 90.8 | Very high | 87.2 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 32% | 0.316 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 151.2 | 168.1 | -171.3 | 33.4 | 0 | 0 | 0 | 111.4 | N415 G418 | D397-N415 PolarHBondContact OD2-ND2 3.25Å; D397-G418 PolarHBondContact OD1-N 3.45Å |
| 398 | V | 89.4 | Confident | 87.1 | Confident | 51 Ų | 51 | 62 Ų | 62 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | trans | -101 | 117.6 | 173.5 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | G388 T390 E400 N415 | G388-V398 WeakPolarHBondContact O-CG2 3.18Å; G388-V398 PolarHBondContact O-N 3.01Å; T390-V398 HydrophobicContact CG2-CG2 3.94Å; V398-E400 VanDerWaalsContact C-N 3.34Å; V398-E400 HydrophobicContact CG1-CG 4.2Å; V398-E400 PolarHBondContact O-N 2.8Å; V398-N415 PolarHBondContact O-ND2 3.11Å; V398-N415 PolarHBondContact O-OD1 3Å | ||
| 399 | D | 90 | Very high | 86.8 | Confident | 95 Ų | 95 | 66.9 Ų | 66.9 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | trans | -74.9 | 85.1 | 172.8 | -176.2 | 3.4 | 0 | 0 | 0 | 110.6 | C401 A402 N415 | D399-C401 PolarHBondContact O-N 3.38Å; D399-C401 WeakPolarHBondContact OD1-CA 3.31Å; D399-C401 VanDerWaalsContact OD1-CB 3.32Å; D399-C401 WeakPolarHBondContact OD1-CB 3.21Å; D399-C401 PolarHBondContact OD1-N 3.43Å; D399-C401 VanDerWaalsContact OD1-N 3.08Å; D399-A402 HydrophobicContact CB-CB 4.43Å; D399-A402 VanDerWaalsContact O-CB 3.22Å; D399-A402 WeakPolarHBondContact O-CB 3.46Å; D399-A402 PolarHBondContact O-N 3.18Å; D399-A402 PolarHBondContact OD1-N 2.88Å; D399-N415 WeakPolarHBondContact CA-OD1 3.23Å; D399-N415 PolarHBondContact OD1-OD1 2.88Å | ||
| 400 | E | 88.3 | Confident | 86.5 | Confident | 41 Ų | 41 | 69.2 Ų | 69.2 | 19% | 0.192 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -65.2 | -26.9 | 174.4 | -69.3 | 121 | 176.9 | 0 | 0 | 111.8 | V398 A402 N403 I406 N415 S419 F420 | V398-E400 VanDerWaalsContact C-N 3.34Å; V398-E400 HydrophobicContact CG1-CG 4.2Å; V398-E400 PolarHBondContact O-N 2.8Å; E400-A402 PolarHBondContact O-N 2.91Å; E400-N403 PolarHBondContact O-N 2.67Å; E400-N403 VanDerWaalsContact O-N 3.11Å; E400-I406 HydrophobicContact CB-CD1 4.08Å; E400-N415 PolarHBondContact N-OD1 2.86Å; E400-S419 WeakPolarHBondContact OE2-CA 3.49Å; E400-F420 HydrophobicContact CB-CB 4.12Å; E400-F420 HydrophobicContact CB-CD1 3.56Å; E400-F420 HydrophobicContact CB-CE1 4.25Å; E400-F420 HydrophobicContact CB-CG 3.95Å; E400-F420 HydrophobicContact CG-CD1 3.9Å; E400-F420 HydrophobicContact CG-CE1 4.44Å; E400-F420 WeakPolarHBondContact OE2-CD1 3.48Å; E400-F420 PolarHBondContact OE2-N 2.91Å |
| 401 | C | 89.7 | Confident | 86.2 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -71.2 | -12 | 175.8 | -63.7 | 0 | 0 | 0 | 0 | 114.4 | D399 N403 C413 Q414 N415 | D399-C401 PolarHBondContact O-N 3.38Å; D399-C401 WeakPolarHBondContact OD1-CA 3.31Å; D399-C401 VanDerWaalsContact OD1-CB 3.32Å; D399-C401 WeakPolarHBondContact OD1-CB 3.21Å; D399-C401 PolarHBondContact OD1-N 3.43Å; D399-C401 VanDerWaalsContact OD1-N 3.08Å; C401-N403 PolarHBondContact O-N 2.04Å; C401-C413 WeakPolarHBondContact CA-SG 3.5Å; C401-C413 HydrophobicContact CB-CB 3.67Å; C401-C413 WeakPolarHBondContact CB-SG 3.34Å; C401-C413 WeakPolarHBondContact SG-CB 3.47Å; C401-C413 CovalentContact SG-SG 2.03Å; C401-C413 PolarHBondContact SG-SG 3.43Å; C401-Q414 PolarHBondContact SG-N 2.92Å; C401-N415 PolarHBondContact N-OD1 3.12Å; C401-N415 PolarHBondContact SG-N 2.75Å |
| 402 | A | 87.2 | Confident | 86.2 | Confident | 75 Ų | 75 | 70.5 Ų | 70.5 | 62% | 0.62 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -55.8 | -31.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D399 E400 K404 | D399-A402 HydrophobicContact CB-CB 4.43Å; D399-A402 VanDerWaalsContact O-CB 3.22Å; D399-A402 WeakPolarHBondContact O-CB 3.46Å; D399-A402 PolarHBondContact O-N 3.18Å; D399-A402 PolarHBondContact OD1-N 2.88Å; E400-A402 PolarHBondContact O-N 2.91Å; A402-K404 PolarHBondContact O-N 3.41Å |
| 403 | N | 81.1 | Confident | 86.4 | Confident | 100 Ų | 100 | 64.3 Ų | 64.3 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -86.1 | 85.7 | 169 | -175.3 | 4.9 | 0 | 0 | 0 | 111.4 | E400 C401 S405 I406 | E400-N403 PolarHBondContact O-N 2.67Å; E400-N403 VanDerWaalsContact O-N 3.11Å; C401-N403 PolarHBondContact O-N 2.04Å; N403-S405 PolarHBondContact O-N 2.91Å; N403-S405 PolarHBondContact OD1-N 3.47Å; N403-I406 WeakPolarHBondContact O-CB 3.02Å; N403-I406 WeakPolarHBondContact O-CG2 3.14Å; N403-I406 PolarHBondContact O-N 3.02Å |
| 404 | K | 72.8 | Confident | 86.5 | Confident | 180 Ų | 180 | 65.7 Ų | 65.7 | 78% | 0.783 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -48 | -29.5 | -179.2 | -67.6 | 180 | 178.1 | 176.6 | 0 | 115.4 | A402 I406 | A402-K404 PolarHBondContact O-N 3.41Å; K404-I406 PolarHBondContact O-N 2.87Å |
| 405 | S | 79.7 | Confident | 86.6 | Confident | 70 Ų | 70 | 68 Ų | 68 | 49% | 0.49 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -71.9 | -10.6 | -178.3 | -172.5 | 0 | 0 | 0 | 0 | 114.1 | N403 C407 N408 | N403-S405 PolarHBondContact O-N 2.91Å; N403-S405 PolarHBondContact OD1-N 3.47Å; S405-C407 VanDerWaalsContact C-N 3.28Å; S405-C407 PolarHBondContact O-N 2.98Å; S405-N408 PolarHBondContact O-N 2.95Å |
| 406 | I | 86.7 | Confident | 86.4 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 19% | 0.185 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -62.2 | -32.3 | -169 | -157.3 | 164.9 | 0 | 0 | 0 | 113.5 | E400 N403 K404 N408 C413 F420 L432 | E400-I406 HydrophobicContact CB-CD1 4.08Å; N403-I406 WeakPolarHBondContact O-CB 3.02Å; N403-I406 WeakPolarHBondContact O-CG2 3.14Å; N403-I406 PolarHBondContact O-N 3.02Å; K404-I406 PolarHBondContact O-N 2.87Å; I406-N408 VanDerWaalsContact C-N 3.3Å; I406-N408 PolarHBondContact O-N 3.23Å; I406-C413 HydrophobicContact CG2-CB 4.15Å; I406-C413 VanDerWaalsContact CG2-SG 3.54Å; I406-F420 HydrophobicContact CD1-CD1 4.1Å; I406-F420 HydrophobicContact CD1-CD2 4.17Å; I406-F420 HydrophobicContact CD1-CE1 3.55Å; I406-F420 HydrophobicContact CD1-CE2 3.62Å; I406-F420 HydrophobicContact CD1-CG 4.39Å; I406-F420 HydrophobicContact CD1-CZ 3.29Å; I406-F420 HydrophobicContact CG1-CD2 4.48Å; I406-F420 HydrophobicContact CG1-CE1 4.38Å; I406-F420 HydrophobicContact CG1-CE2 3.68Å; I406-F420 HydrophobicContact CG1-CZ 3.62Å; I406-F420 HydrophobicContact CG2-CD2 4.25Å; I406-F420 HydrophobicContact CG2-CE2 4.1Å; I406-L432 HydrophobicContact CG1-CD2 4.39Å |
| 407 | C | 86.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -90.7 | 24.2 | 173.9 | -55.2 | 0 | 0 | 0 | 0 | 113.9 | S405 D409 R410 G411 C413 C422 L432 | S405-C407 VanDerWaalsContact C-N 3.28Å; S405-C407 PolarHBondContact O-N 2.98Å; C407-D409 PolarHBondContact O-N 2.82Å; C407-R410 PolarHBondContact O-N 3.31Å; C407-G411 WeakPolarHBondContact CB-O 3.47Å; C407-G411 PolarHBondContact O-N 3.01Å; C407-G411 VanDerWaalsContact O-N 3.12Å; C407-C413 VanDerWaalsContact SG-CA 3.55Å; C407-C413 VanDerWaalsContact SG-CB 3.57Å; C407-C422 WeakPolarHBondContact CA-SG 3.04Å; C407-C422 HydrophobicContact CB-CB 3.74Å; C407-C422 WeakPolarHBondContact CB-SG 3.32Å; C407-C422 VanDerWaalsContact SG-CA 3.56Å; C407-C422 WeakPolarHBondContact SG-CB 3.16Å; C407-C422 CovalentContact SG-SG 2.03Å; C407-C422 PolarHBondContact SG-SG 2.63Å; C407-L432 CarbonylContact C-O 3.53Å |
| 408 | N | 82.8 | Confident | 86.1 | Confident | 71 Ų | 71 | 67.1 Ų | 67.1 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 30 | 177.5 | -68.6 | -72.7 | 0 | 0 | 0 | 115.2 | S405 I406 R410 L432 | S405-N408 PolarHBondContact O-N 2.95Å; I406-N408 VanDerWaalsContact C-N 3.3Å; I406-N408 PolarHBondContact O-N 3.23Å; N408-R410 WeakPolarHBondContact O-CG 3.26Å; N408-R410 PolarHBondContact O-N 2.81Å; N408-L432 WeakPolarHBondContact ND2-CB 3.4Å; N408-L432 PolarHBondContact ND2-O 2.04Å |
| 409 | D | 82.4 | Confident | 86 | Confident | 113 Ų | 113 | 67.6 Ų | 67.6 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 9.3 | -168.7 | -63 | -43.5 | 0 | 0 | 0 | 115.5 | C407 R425 | C407-D409 PolarHBondContact O-N 2.82Å; D409-R425 PolarHBondContact O-NH1 3.48Å; D409-R425 PolarHBondContact O-NH2 2.98Å |
| 410 | R | 84.2 | Confident | 86 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 35% | 0.347 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -10.5 | -176.4 | -70 | 160.9 | -172.2 | -165.3 | 5.5 | 113.2 | C407 N408 R425 Y428 C433 E434 | C407-R410 PolarHBondContact O-N 3.31Å; N408-R410 WeakPolarHBondContact O-CG 3.26Å; N408-R410 PolarHBondContact O-N 2.81Å; R410-R425 VanDerWaalsContact O-CB 3.29Å; R410-R425 WeakPolarHBondContact O-CB 3.46Å; R410-R425 WeakPolarHBondContact O-CG 3.37Å; R410-R425 PolarHBondContact O-N 2.04Å; R410-Y428 HydrophobicContact CB-CD1 4.46Å; R410-Y428 HydrophobicContact CB-CD2 4.32Å; R410-Y428 HydrophobicContact CB-CG 4.19Å; R410-Y428 HydrophobicContact CG-CD1 4.27Å; R410-Y428 HydrophobicContact CG-CD2 4.37Å; R410-Y428 HydrophobicContact CG-CE1 4.18Å; R410-Y428 HydrophobicContact CG-CE2 4.27Å; R410-Y428 HydrophobicContact CG-CG 4.36Å; R410-C433 HydrophobicContact CB-CB 3.74Å; R410-C433 VanDerWaalsContact CD-O 3.23Å; R410-C433 WeakPolarHBondContact CD-O 3.02Å; R410-E434 PolarHBondContact NH1-O 3.15Å |
| 411 | G | 84.5 | Confident | 86 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 16% | 0.155 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 172.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | C407 E423 | C407-G411 WeakPolarHBondContact CB-O 3.47Å; C407-G411 PolarHBondContact O-N 3.01Å; C407-G411 VanDerWaalsContact O-N 3.12Å; G411-E423 CarbonylContact C-O 3.41Å; G411-E423 WeakPolarHBondContact CA-O 3.22Å |
| 412 | K | 89.2 | Confident | 86 | Confident | 122 Ų | 122 | 68.9 Ų | 68.9 | 53% | 0.53 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.7 | 171.5 | 171.4 | -176.1 | 155.1 | -130.5 | 0 | 108.5 | E423 | K412-E423 HydrophobicContact CB-CB 4.28Å; K412-E423 WeakPolarHBondContact CD-OE2 3.36Å; K412-E423 PolarHBondContact N-O 3.15Å; K412-E423 IonicContact NZ-OE2 3.91Å; K412-E423 PolarHBondContact NZ-OE2 3.24Å; K412-E423 WeakPolarHBondContact O-CB 3.06Å; K412-E423 PolarHBondContact O-N 2.9Å |
| 413 | C | 91.3 | Very high | 86.1 | Confident | 28 Ų | 28 | 69.9 Ų | 69.9 | 19% | 0.189 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 141.8 | 176.7 | -163.4 | 0 | 0 | 0 | 0 | 110.8 | C401 I406 C407 | C401-C413 WeakPolarHBondContact CA-SG 3.5Å; C401-C413 HydrophobicContact CB-CB 3.67Å; C401-C413 WeakPolarHBondContact CB-SG 3.34Å; C401-C413 WeakPolarHBondContact SG-CB 3.47Å; C401-C413 CovalentContact SG-SG 2.03Å; C401-C413 PolarHBondContact SG-SG 3.43Å; I406-C413 HydrophobicContact CG2-CB 4.15Å; I406-C413 VanDerWaalsContact CG2-SG 3.54Å; C407-C413 VanDerWaalsContact SG-CA 3.55Å; C407-C413 VanDerWaalsContact SG-CB 3.57Å |
| 414 | Q | 90.9 | Very high | 86.2 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 125 | 167 | -58.1 | -166.9 | 31.5 | 0 | 0 | 109.4 | C401 F420 Y421 E423 | C401-Q414 PolarHBondContact SG-N 2.92Å; Q414-F420 WeakPolarHBondContact O-CA 3.33Å; Q414-Y421 HydrophobicContact CB-CD1 4.03Å; Q414-Y421 HydrophobicContact CB-CE1 3.54Å; Q414-Y421 HydrophobicContact CG-CE1 4.31Å; Q414-Y421 PolarHBondContact N-O 3.26Å; Q414-Y421 PolarHBondContact NE2-OH 2.76Å; Q414-Y421 PolarHBondContact O-N 3.4Å; Q414-Y421 PolarHBondContact OE1-OH 2.68Å; Q414-E423 PolarHBondContact NE2-OE2 2.9Å |
| 415 | N | 90.8 | Very high | 86.8 | Confident | 49 Ų | 49 | 66.4 Ų | 66.4 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 151.4 | -179.9 | -138.5 | 75.3 | 0 | 0 | 0 | 111.1 | D397 V398 D399 E400 C401 | D397-N415 PolarHBondContact OD2-ND2 3.25Å; V398-N415 PolarHBondContact O-ND2 3.11Å; V398-N415 PolarHBondContact O-OD1 3Å; D399-N415 WeakPolarHBondContact CA-OD1 3.23Å; D399-N415 PolarHBondContact OD1-OD1 2.88Å; E400-N415 PolarHBondContact N-OD1 2.86Å; C401-N415 PolarHBondContact N-OD1 3.12Å; C401-N415 PolarHBondContact SG-N 2.75Å |
| 416 | T | 86.3 | Confident | 86.5 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 37% | 0.368 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 156.3 | 178.3 | 56.7 | 0 | 0 | 0 | 0 | 109 | G418 S419 Y421 | T416-G418 PolarHBondContact O-N 3.03Å; T416-S419 CarbonylContact C-O 3.55Å; T416-S419 WeakPolarHBondContact CA-O 3.41Å; T416-S419 PolarHBondContact N-O 3.08Å; T416-S419 CarbonylContact O-C 3.56Å; T416-S419 PolarHBondContact O-N 3.24Å; T416-S419 VanDerWaalsContact OG1-C 3.24Å; T416-S419 PolarHBondContact OG1-O 3.38Å; T416-Y421 HydrophobicContact CG2-CD1 4.1Å; T416-Y421 HydrophobicContact CG2-CE1 4.26Å |
| 417 | N | 88.9 | Confident | 85.7 | Confident | 110 Ų | 110 | 70.4 Ų | 70.4 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 104.5 | -173.5 | -177.7 | 92.8 | 0 | 0 | 0 | 112.1 | Y389 | Y389-N417 PolarHBondContact OH-ND2 3.41Å; Y389-N417 PolarHBondContact OH-O 3.32Å |
| 418 | G | 84.2 | Confident | 85.1 | Confident | 18 Ų | 18 | 74 Ų | 74 | 19% | 0.186 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 11.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y389 D397 T416 | Y389-G418 VanDerWaalsContact CZ-CA 3.46Å; Y389-G418 WeakPolarHBondContact OH-CA 3.33Å; D397-G418 PolarHBondContact OD1-N 3.45Å; T416-G418 PolarHBondContact O-N 3.03Å |
| 419 | S | 87.7 | Confident | 84.5 | Confident | 61 Ų | 61 | 72.7 Ų | 72.7 | 43% | 0.427 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | 178.8 | 177.5 | -141.8 | 0 | 0 | 0 | 0 | 114 | E400 T416 | E400-S419 WeakPolarHBondContact OE2-CA 3.49Å; T416-S419 CarbonylContact C-O 3.55Å; T416-S419 WeakPolarHBondContact CA-O 3.41Å; T416-S419 PolarHBondContact N-O 3.08Å; T416-S419 CarbonylContact O-C 3.56Å; T416-S419 PolarHBondContact O-N 3.24Å; T416-S419 VanDerWaalsContact OG1-C 3.24Å; T416-S419 PolarHBondContact OG1-O 3.38Å |
| 420 | F | 90.1 | Very high | 84 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 23% | 0.228 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 163.6 | 171.7 | 70.4 | -77 | 0 | 0 | 0 | 111.6 | E400 I406 Q414 L432 | E400-F420 HydrophobicContact CB-CB 4.12Å; E400-F420 HydrophobicContact CB-CD1 3.56Å; E400-F420 HydrophobicContact CB-CE1 4.25Å; E400-F420 HydrophobicContact CB-CG 3.95Å; E400-F420 HydrophobicContact CG-CD1 3.9Å; E400-F420 HydrophobicContact CG-CE1 4.44Å; E400-F420 WeakPolarHBondContact OE2-CD1 3.48Å; E400-F420 PolarHBondContact OE2-N 2.91Å; I406-F420 HydrophobicContact CD1-CD1 4.1Å; I406-F420 HydrophobicContact CD1-CD2 4.17Å; I406-F420 HydrophobicContact CD1-CE1 3.55Å; I406-F420 HydrophobicContact CD1-CE2 3.62Å; I406-F420 HydrophobicContact CD1-CG 4.39Å; I406-F420 HydrophobicContact CD1-CZ 3.29Å; I406-F420 HydrophobicContact CG1-CD2 4.48Å; I406-F420 HydrophobicContact CG1-CE1 4.38Å; I406-F420 HydrophobicContact CG1-CE2 3.68Å; I406-F420 HydrophobicContact CG1-CZ 3.62Å; I406-F420 HydrophobicContact CG2-CD2 4.25Å; I406-F420 HydrophobicContact CG2-CE2 4.1Å; Q414-F420 WeakPolarHBondContact O-CA 3.33Å; F420-L432 HydrophobicContact CE2-CD2 3.74Å; F420-L432 HydrophobicContact CZ-CD2 3.67Å |
| 421 | Y | 89.1 | Confident | 83.8 | Confident | 117 Ų | 117 | 69.5 Ų | 69.5 | 46% | 0.459 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.7 | 167 | 78.1 | -80.9 | 0 | 0 | 0 | 112.8 | Q414 T416 | Q414-Y421 HydrophobicContact CB-CD1 4.03Å; Q414-Y421 HydrophobicContact CB-CE1 3.54Å; Q414-Y421 HydrophobicContact CG-CE1 4.31Å; Q414-Y421 PolarHBondContact N-O 3.26Å; Q414-Y421 PolarHBondContact NE2-OH 2.76Å; Q414-Y421 PolarHBondContact O-N 3.4Å; Q414-Y421 PolarHBondContact OE1-OH 2.68Å; T416-Y421 HydrophobicContact CG2-CD1 4.1Å; T416-Y421 HydrophobicContact CG2-CE1 4.26Å |
| 422 | C | 89.8 | Confident | 83.8 | Confident | 17 Ų | 17 | 71.7 Ų | 71.7 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 114.8 | 179.2 | -68.3 | 0 | 0 | 0 | 0 | 111.5 | C407 C424 T431 | C407-C422 WeakPolarHBondContact CA-SG 3.04Å; C407-C422 HydrophobicContact CB-CB 3.74Å; C407-C422 WeakPolarHBondContact CB-SG 3.32Å; C407-C422 VanDerWaalsContact SG-CA 3.56Å; C407-C422 WeakPolarHBondContact SG-CB 3.16Å; C407-C422 CovalentContact SG-SG 2.03Å; C407-C422 PolarHBondContact SG-SG 2.63Å; C422-C424 PolarHBondContact O-N 2.96Å; C422-T431 WeakPolarHBondContact CB-O 3.12Å |
| 423 | E | 87.8 | Confident | 83.6 | Confident | 96 Ų | 96 | 65.9 Ų | 65.9 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 91.7 | 172.3 | -175.5 | -179.1 | -168.7 | 0 | 0 | 109 | G411 K412 Q414 | G411-E423 CarbonylContact C-O 3.41Å; G411-E423 WeakPolarHBondContact CA-O 3.22Å; K412-E423 HydrophobicContact CB-CB 4.28Å; K412-E423 WeakPolarHBondContact CD-OE2 3.36Å; K412-E423 PolarHBondContact N-O 3.15Å; K412-E423 IonicContact NZ-OE2 3.91Å; K412-E423 PolarHBondContact NZ-OE2 3.24Å; K412-E423 WeakPolarHBondContact O-CB 3.06Å; K412-E423 PolarHBondContact O-N 2.9Å; Q414-E423 PolarHBondContact NE2-OE2 2.9Å |
| 424 | C | 85 | Confident | 83.1 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 30% | 0.297 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 143.7 | -171.2 | -57.9 | 0 | 0 | 0 | 0 | 114.4 | C422 Y428 C433 | C422-C424 PolarHBondContact O-N 2.96Å; C424-Y428 WeakPolarHBondContact CB-O 3.08Å; C424-C433 WeakPolarHBondContact CA-SG 3.28Å; C424-C433 HydrophobicContact CB-CB 3.86Å; C424-C433 WeakPolarHBondContact CB-SG 3.34Å; C424-C433 WeakPolarHBondContact SG-CA 3.44Å; C424-C433 WeakPolarHBondContact SG-CB 3.43Å; C424-C433 CovalentContact SG-SG 2.04Å; C424-C433 PolarHBondContact SG-SG 2.82Å |
| 425 | R | 83.6 | Confident | 82 | Confident | 162 Ų | 162 | 68.8 Ų | 68.8 | 61% | 0.611 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 150.7 | 167.9 | -65 | 173.1 | -168.8 | -178.4 | 8.8 | 110 | D409 R410 G427 Y428 | D409-R425 PolarHBondContact O-NH1 3.48Å; D409-R425 PolarHBondContact O-NH2 2.98Å; R410-R425 VanDerWaalsContact O-CB 3.29Å; R410-R425 WeakPolarHBondContact O-CB 3.46Å; R410-R425 WeakPolarHBondContact O-CG 3.37Å; R410-R425 PolarHBondContact O-N 2.04Å; R425-G427 PolarHBondContact O-N 3.29Å; R425-Y428 PolarHBondContact O-N 3.24Å |
| 426 | K | 73.8 | Confident | 80.8 | Confident | 161 Ų | 161 | 67.9 Ų | 67.9 | 70% | 0.7 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 136.7 | 179 | -70.4 | -163.9 | 173.8 | -164.4 | 0 | 112.2 | Y428 D454 | K426-Y428 VanDerWaalsContact C-N 3.33Å; K426-D454 WeakPolarHBondContact CD-OD1 3.48Å; K426-D454 VanDerWaalsContact CE-OD1 3.24Å; K426-D454 WeakPolarHBondContact CE-OD1 3.48Å; K426-D454 IonicContact NZ-OD1 3.04Å; K426-D454 PolarHBondContact NZ-OD1 2.99Å; K426-D454 IonicContact NZ-OD2 2.76Å |
| 427 | G | 69.8 | Low | 79.8 | Confident | 29 Ų | 29 | 66 Ų | 66 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 1.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | R425 N436 | R425-G427 PolarHBondContact O-N 3.29Å; G427-N436 WeakPolarHBondContact O-CB 3.21Å |
| 428 | Y | 75.4 | Confident | 78.5 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 31% | 0.306 | 35% | 0.347 | S | S | . | . | trans | -117.3 | 146.9 | 172.7 | -68 | -79.7 | 0 | 0 | 0 | 112.7 | R410 C424 R425 K426 K435 N436 | R410-Y428 HydrophobicContact CB-CD1 4.46Å; R410-Y428 HydrophobicContact CB-CD2 4.32Å; R410-Y428 HydrophobicContact CB-CG 4.19Å; R410-Y428 HydrophobicContact CG-CD1 4.27Å; R410-Y428 HydrophobicContact CG-CD2 4.37Å; R410-Y428 HydrophobicContact CG-CE1 4.18Å; R410-Y428 HydrophobicContact CG-CE2 4.27Å; R410-Y428 HydrophobicContact CG-CG 4.36Å; C424-Y428 WeakPolarHBondContact CB-O 3.08Å; R425-Y428 PolarHBondContact O-N 3.24Å; K426-Y428 VanDerWaalsContact C-N 3.33Å; Y428-K435 CarbonylContact C-O 3.57Å; Y428-K435 VanDerWaalsContact CA-O 3.31Å; Y428-K435 WeakPolarHBondContact CA-O 3.38Å; Y428-N436 HydrophobicContact CD1-CB 4.1Å; Y428-N436 HydrophobicContact CE1-CB 4.14Å | ||
| 429 | T | 69.1 | Low | 77.3 | Confident | 42 Ų | 42 | 68.5 Ų | 68.5 | 26% | 0.258 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -152 | 177.5 | -177.2 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | C433 E434 K435 L440 Y457 | T429-C433 CarbonylContact O-C 3.58Å; T429-C433 WeakPolarHBondContact O-CA 3.35Å; T429-E434 PolarHBondContact O-N 3.31Å; T429-K435 HydrophobicContact CG2-CB 3.75Å; T429-K435 PolarHBondContact N-O 2.8Å; T429-K435 WeakPolarHBondContact O-CB 3.21Å; T429-K435 PolarHBondContact O-N 2.94Å; T429-L440 HydrophobicContact CG2-CD1 4.45Å; T429-Y457 HydrophobicContact CG2-CD1 3.96Å; T429-Y457 HydrophobicContact CG2-CE1 4.09Å |
| 430 | G | 72.8 | Confident | 75.7 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 87.2 | 160.3 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L432 C433 E434 | G430-L432 PolarHBondContact O-N 3.3Å; G430-C433 PolarHBondContact O-N 3.02Å; G430-C433 VanDerWaalsContact O-N 3.11Å; G430-E434 VanDerWaalsContact C-OE2 3.27Å; G430-E434 WeakPolarHBondContact CA-OE1 3.49Å; G430-E434 WeakPolarHBondContact CA-OE2 3.41Å |
| 431 | T | 80.5 | Confident | 73.9 | Confident | 117 Ų | 117 | 68.6 Ų | 68.6 | 72% | 0.718 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -21.4 | -172.2 | 46.2 | 0 | 0 | 0 | 0 | 113.3 | C422 E434 | C422-T431 WeakPolarHBondContact CB-O 3.12Å; T431-E434 PolarHBondContact N-OE2 2.87Å |
| 432 | L | 84.5 | Confident | 72.7 | Confident | 61 Ų | 61 | 66 Ų | 66 | 32% | 0.319 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 16.9 | 177.5 | -51.4 | 179.3 | 0 | 0 | 0 | 111.6 | I406 C407 N408 F420 G430 E434 | I406-L432 HydrophobicContact CG1-CD2 4.39Å; C407-L432 CarbonylContact C-O 3.53Å; N408-L432 WeakPolarHBondContact ND2-CB 3.4Å; N408-L432 PolarHBondContact ND2-O 2.04Å; F420-L432 HydrophobicContact CE2-CD2 3.74Å; F420-L432 HydrophobicContact CZ-CD2 3.67Å; G430-L432 PolarHBondContact O-N 3.3Å; L432-E434 PolarHBondContact N-OE2 2.74Å; L432-E434 PolarHBondContact O-N 2.9Å |
| 433 | C | 83.6 | Confident | 71.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 57 | 32.8 | -174.4 | -48.8 | 0 | 0 | 0 | 0 | 113.8 | R410 C424 T429 G430 | R410-C433 HydrophobicContact CB-CB 3.74Å; R410-C433 VanDerWaalsContact CD-O 3.23Å; R410-C433 WeakPolarHBondContact CD-O 3.02Å; C424-C433 WeakPolarHBondContact CA-SG 3.28Å; C424-C433 HydrophobicContact CB-CB 3.86Å; C424-C433 WeakPolarHBondContact CB-SG 3.34Å; C424-C433 WeakPolarHBondContact SG-CA 3.44Å; C424-C433 WeakPolarHBondContact SG-CB 3.43Å; C424-C433 CovalentContact SG-SG 2.04Å; C424-C433 PolarHBondContact SG-SG 2.82Å; T429-C433 CarbonylContact O-C 3.58Å; T429-C433 WeakPolarHBondContact O-CA 3.35Å; G430-C433 PolarHBondContact O-N 3.02Å; G430-C433 VanDerWaalsContact O-N 3.11Å |
| 434 | E | 81 | Confident | 71.3 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 29% | 0.285 | 37% | 0.371 | S | S | . | . | trans | -81.9 | -22.1 | -170.5 | 74.9 | -65.7 | 164.1 | 0 | 0 | 114.1 | R410 T429 G430 T431 L432 | R410-E434 PolarHBondContact NH1-O 3.15Å; T429-E434 PolarHBondContact O-N 3.31Å; G430-E434 VanDerWaalsContact C-OE2 3.27Å; G430-E434 WeakPolarHBondContact CA-OE1 3.49Å; G430-E434 WeakPolarHBondContact CA-OE2 3.41Å; T431-E434 PolarHBondContact N-OE2 2.87Å; L432-E434 PolarHBondContact N-OE2 2.74Å; L432-E434 PolarHBondContact O-N 2.9Å | ||
| 435 | K | 68.9 | Low | 70.7 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 38% | 0.383 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -107.3 | 151.9 | -170.8 | -60.9 | 168.6 | 178.8 | 124.9 | 0 | 113.1 | Y428 T429 L440 | Y428-K435 CarbonylContact C-O 3.57Å; Y428-K435 VanDerWaalsContact CA-O 3.31Å; Y428-K435 WeakPolarHBondContact CA-O 3.38Å; T429-K435 HydrophobicContact CG2-CB 3.75Å; T429-K435 PolarHBondContact N-O 2.8Å; T429-K435 WeakPolarHBondContact O-CB 3.21Å; T429-K435 PolarHBondContact O-N 2.94Å; K435-L440 HydrophobicContact CB-CD1 4.05Å; K435-L440 HydrophobicContact CB-CD2 3.77Å; K435-L440 HydrophobicContact CB-CG 4.21Å; K435-L440 HydrophobicContact CD-CD2 4.03Å; K435-L440 HydrophobicContact CG-CD2 3.83Å |
| 436 | N | 65.4 | Low | 70.6 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 17% | 0.166 | 37% | 0.372 | C | S | . | . | trans | -155.4 | 157.5 | 171.1 | 64.7 | -4.8 | 0 | 0 | 0 | 111 | G427 Y428 S438 S439 L440 | G427-N436 WeakPolarHBondContact O-CB 3.21Å; Y428-N436 HydrophobicContact CD1-CB 4.1Å; Y428-N436 HydrophobicContact CE1-CB 4.14Å; N436-S438 PolarHBondContact ND2-OG 3.48Å; N436-S438 PolarHBondContact O-N 3.34Å; N436-S438 PolarHBondContact OD1-OG 3.3Å; N436-S439 PolarHBondContact N-OG 3.28Å; N436-S439 PolarHBondContact O-N 2.83Å; N436-S439 PolarHBondContact O-OG 3.32Å; N436-S439 WeakPolarHBondContact OD1-CB 3.02Å; N436-S439 PolarHBondContact OD1-N 2.94Å; N436-S439 VanDerWaalsContact OD1-N 3.14Å; N436-S439 PolarHBondContact OD1-OG 2.88Å; N436-L440 WeakPolarHBondContact O-CD1 3.05Å; N436-L440 WeakPolarHBondContact O-CG 3.33Å; N436-L440 PolarHBondContact O-N 2.98Å | ||
| 437 | C | 64.2 | Low | 70.9 | Confident | 19 Ų | 19 | 54 Ų | 54 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -30 | -173.8 | -95.2 | 0 | 0 | 0 | 0 | 114.8 | S439 L440 C450 D452 Y457 | C437-S439 PolarHBondContact O-N 3.32Å; C437-L440 PolarHBondContact O-N 2.76Å; C437-C450 WeakPolarHBondContact CA-SG 3.43Å; C437-C450 HydrophobicContact CB-CB 3.93Å; C437-C450 WeakPolarHBondContact CB-SG 3Å; C437-C450 WeakPolarHBondContact SG-CB 3.3Å; C437-C450 CovalentContact SG-SG 2.05Å; C437-C450 PolarHBondContact SG-SG 3.14Å; C437-D452 WeakPolarHBondContact CB-OD2 3.4Å; C437-D452 PolarHBondContact SG-N 3.08Å; C437-Y457 VanDerWaalsContact SG-CB 3.52Å |
| 438 | S | 61.6 | Low | 71.4 | Confident | 106 Ų | 106 | 53.6 Ų | 53.6 | 74% | 0.741 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18.5 | 179 | 53.5 | 0 | 0 | 0 | 0 | 115.1 | N436 | N436-S438 PolarHBondContact ND2-OG 3.48Å; N436-S438 PolarHBondContact O-N 3.34Å; N436-S438 PolarHBondContact OD1-OG 3.3Å |
| 439 | S | 59.9 | Low | 71.7 | Confident | 76 Ų | 76 | 56.9 Ų | 56.9 | 53% | 0.531 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -11.7 | 170.1 | 55 | 0 | 0 | 0 | 0 | 113.5 | N436 C437 A441 | N436-S439 PolarHBondContact N-OG 3.28Å; N436-S439 PolarHBondContact O-N 2.83Å; N436-S439 PolarHBondContact O-OG 3.32Å; N436-S439 WeakPolarHBondContact OD1-CB 3.02Å; N436-S439 PolarHBondContact OD1-N 2.94Å; N436-S439 VanDerWaalsContact OD1-N 3.14Å; N436-S439 PolarHBondContact OD1-OG 2.88Å; C437-S439 PolarHBondContact O-N 3.32Å; S439-A441 PolarHBondContact O-N 2.04Å |
| 440 | L | 54.1 | Low | 72.2 | Confident | 15 Ų | 15 | 56.3 Ų | 56.3 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | trans | -99.5 | 33.5 | -169.9 | -62.9 | 171.8 | 0 | 0 | 0 | 114.2 | T429 K435 N436 C437 G442 V443 Y457 | T429-L440 HydrophobicContact CG2-CD1 4.45Å; K435-L440 HydrophobicContact CB-CD1 4.05Å; K435-L440 HydrophobicContact CB-CD2 3.77Å; K435-L440 HydrophobicContact CB-CG 4.21Å; K435-L440 HydrophobicContact CD-CD2 4.03Å; K435-L440 HydrophobicContact CG-CD2 3.83Å; N436-L440 WeakPolarHBondContact O-CD1 3.05Å; N436-L440 WeakPolarHBondContact O-CG 3.33Å; N436-L440 PolarHBondContact O-N 2.98Å; C437-L440 PolarHBondContact O-N 2.76Å; L440-G442 PolarHBondContact O-N 2.85Å; L440-V443 HydrophobicContact CB-CB 4.02Å; L440-V443 HydrophobicContact CB-CG2 3.7Å; L440-V443 HydrophobicContact CD1-CG2 4.47Å; L440-V443 HydrophobicContact CD2-CG2 3.46Å; L440-V443 VanDerWaalsContact CD2-CG2 3.46Å; L440-V443 HydrophobicContact CG-CG2 4.02Å; L440-V443 PolarHBondContact O-N 3.49Å; L440-Y457 HydrophobicContact CD1-CD1 4.12Å; L440-Y457 HydrophobicContact CD1-CE1 4.3Å | ||
| 441 | A | 53 | Low | 72.5 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -8.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | S439 | S439-A441 PolarHBondContact O-N 2.04Š|
| 442 | G | 63 | Low | 72 | Confident | 64 Ų | 64 | 57.8 Ų | 57.8 | 66% | 0.66 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -5.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L440 G445 | L440-G442 PolarHBondContact O-N 2.85Å; G442-G445 PolarHBondContact O-N 3.11Å |
| 443 | V | 72.2 | Confident | 71.1 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -39.4 | -173.4 | 173.3 | 0 | 0 | 0 | 0 | 112.3 | L440 G445 Y457 S469 | L440-V443 HydrophobicContact CB-CB 4.02Å; L440-V443 HydrophobicContact CB-CG2 3.7Å; L440-V443 HydrophobicContact CD1-CG2 4.47Å; L440-V443 HydrophobicContact CD2-CG2 3.46Å; L440-V443 VanDerWaalsContact CD2-CG2 3.46Å; L440-V443 HydrophobicContact CG-CG2 4.02Å; L440-V443 PolarHBondContact O-N 3.49Å; V443-G445 PolarHBondContact O-N 3.5Å; V443-G445 VanDerWaalsContact O-N 3.12Å; V443-Y457 HydrophobicContact CG1-CD2 4.45Å; V443-Y457 HydrophobicContact CG1-CE2 3.51Å; V443-S469 WeakPolarHBondContact O-CA 3.44Å; V443-S469 WeakPolarHBondContact O-CB 3.13Å; V443-S469 PolarHBondContact O-OG 3.17Å |
| 444 | C | 75 | Confident | 70.1 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.034 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 19.2 | 174.5 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | G448 C450 C459 S469 | C444-G448 VanDerWaalsContact CB-C 3.48Å; C444-G448 WeakPolarHBondContact O-CA 3.43Å; C444-G448 PolarHBondContact O-N 3.08Å; C444-C450 VanDerWaalsContact SG-CA 3.56Å; C444-C459 WeakPolarHBondContact CA-SG 3.4Å; C444-C459 HydrophobicContact CB-CB 3.59Å; C444-C459 WeakPolarHBondContact CB-SG 3.42Å; C444-C459 WeakPolarHBondContact SG-CA 3.38Å; C444-C459 WeakPolarHBondContact SG-CB 3.02Å; C444-C459 CovalentContact SG-SG 2.04Å; C444-C459 PolarHBondContact SG-SG 3.07Å; C444-S469 CarbonylContact C-O 3.52Å; C444-S469 VanDerWaalsContact O-O 3.1Å |
| 445 | G | 74.1 | Confident | 69.1 | Low | 21 Ų | 21 | 68.3 Ų | 68.3 | 22% | 0.216 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | -170.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G442 V443 H447 S469 | G442-G445 PolarHBondContact O-N 3.11Å; V443-G445 PolarHBondContact O-N 3.5Å; V443-G445 VanDerWaalsContact O-N 3.12Å; G445-H447 PolarHBondContact O-N 3.5Å; G445-S469 PolarHBondContact N-O 2.9Å; G445-S469 VanDerWaalsContact N-O 3.11Å |
| 446 | P | 79.9 | Confident | 69 | Low | 111 Ų | 111 | 64.9 Ų | 64.9 | 72% | 0.721 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11.6 | 171.5 | 29.3 | -32 | 0 | 0 | 0 | 113.1 | ||
| 447 | H | 80.4 | Confident | 69.2 | Low | 51 Ų | 51 | 67.5 Ų | 67.5 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 8.7 | -172.9 | -62.1 | -61.4 | 0 | 0 | 0 | 114.4 | G445 C461 Q462 Y465 C470 | G445-H447 PolarHBondContact O-N 3.5Å; H447-C461 CarbonylContact O-C 3.3Å; H447-Q462 PolarHBondContact ND1-OE1 3.04Å; H447-Q462 WeakPolarHBondContact O-CB 3.03Å; H447-Q462 VanDerWaalsContact O-CG 3.29Å; H447-Q462 WeakPolarHBondContact O-CG 3.05Å; H447-Q462 PolarHBondContact O-N 3.19Å; H447-Y465 HydrophobicContact CB-CD1 3.97Å; H447-Y465 HydrophobicContact CB-CD2 3.68Å; H447-Y465 HydrophobicContact CB-CE1 4.4Å; H447-Y465 HydrophobicContact CB-CE2 4.13Å; H447-Y465 HydrophobicContact CB-CG 3.59Å; H447-Y465 AromaticContact CD2-CD1 3.64Å; H447-Y465 AromaticContact CD2-CE1 3.3Å; H447-Y465 WeakPolarHBondContact CD2-CE1 3.42Å; H447-Y465 AromaticContact CD2-CE2 3.95Å; H447-Y465 AromaticContact CD2-CZ 3.47Å; H447-Y465 VanDerWaalsContact CD2-CZ 3.47Å; H447-Y465 AromaticContact CE1-CE2 3.77Å; H447-Y465 AromaticContact CE1-CZ 3.51Å; H447-Y465 PolarHBondContact CE1-OH 2.95Å; H447-Y465 AromaticContact CG-CD1 3.81Å; H447-Y465 AromaticContact CG-CD2 3.65Å; H447-Y465 AromaticContact CG-CE1 3.73Å; H447-Y465 AromaticContact CG-CE2 3.57Å; H447-Y465 AromaticContact CG-CG 3.77Å; H447-Y465 AromaticContact CG-CZ 3.61Å; H447-Y465 AromaticContact ND1-CD2 3.9Å; H447-Y465 AromaticContact ND1-CE2 3.44Å; H447-Y465 WeakPolarHBondContact ND1-CE2 3.46Å; H447-Y465 AromaticContact ND1-CZ 3.63Å; H447-Y465 AromaticContact NE2-CE1 3.64Å; H447-Y465 AromaticContact NE2-CZ 3.45Å; H447-Y465 PolarHBondContact NE2-OH 3.31Å; H447-C470 HydrophobicContact CB-CB 4.35Å |
| 448 | G | 80.2 | Confident | 69.8 | Low | 21 Ų | 21 | 70.2 Ų | 70.2 | 22% | 0.216 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 159.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C444 V460 C470 | C444-G448 VanDerWaalsContact CB-C 3.48Å; C444-G448 WeakPolarHBondContact O-CA 3.43Å; C444-G448 PolarHBondContact O-N 3.08Å; G448-V460 CarbonylContact C-O 3.01Å; G448-V460 WeakPolarHBondContact CA-O 3.04Å; G448-C470 VanDerWaalsContact CA-SG 3.53Å |
| 449 | K | 82.3 | Confident | 70.9 | Confident | 147 Ų | 147 | 66.1 Ų | 66.1 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 125.4 | 179.3 | -171.7 | 179.3 | 179 | -175 | 0 | 111 | V460 | K449-V460 PolarHBondContact N-O 2.9Å; K449-V460 PolarHBondContact O-N 3.17Å |
| 450 | C | 79.5 | Confident | 72.1 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 20% | 0.203 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 124.1 | 177.1 | -156.5 | 0 | 0 | 0 | 0 | 110.5 | C437 C444 | C437-C450 WeakPolarHBondContact CA-SG 3.43Å; C437-C450 HydrophobicContact CB-CB 3.93Å; C437-C450 WeakPolarHBondContact CB-SG 3Å; C437-C450 WeakPolarHBondContact SG-CB 3.3Å; C437-C450 CovalentContact SG-SG 2.05Å; C437-C450 PolarHBondContact SG-SG 3.14Å; C444-C450 VanDerWaalsContact SG-CA 3.56Å |
| 451 | N | 78.7 | Confident | 73.5 | Confident | 82 Ų | 82 | 67.6 Ų | 67.6 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129 | 162.2 | -83.7 | -2.8 | 0 | 0 | 0 | 108.3 | Y457 V458 | N451-Y457 CarbonylContact O-C 3.24Å; N451-Y457 WeakPolarHBondContact O-CA 3.37Å; N451-V458 HydrophobicContact CB-CG1 4.06Å; N451-V458 PolarHBondContact N-O 3.32Å; N451-V458 PolarHBondContact O-N 2.91Å |
| 452 | D | 70 | Confident | 74.9 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 47% | 0.465 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 149.8 | 167.3 | -80 | -46.4 | 0 | 0 | 0 | 110.3 | C437 | C437-D452 WeakPolarHBondContact CB-OD2 3.4Å; C437-D452 PolarHBondContact SG-N 3.08Å |
| 453 | T | 66.2 | Low | 75.7 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 37% | 0.368 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 166.9 | 178 | 68.5 | 0 | 0 | 0 | 0 | 109 | Y455 G456 V458 | T453-Y455 PolarHBondContact O-N 2.96Å; T453-Y455 PolarHBondContact OG1-N 2.93Å; T453-G456 CarbonylContact C-O 3.34Å; T453-G456 WeakPolarHBondContact CA-O 3.02Å; T453-G456 PolarHBondContact N-O 2.77Å; T453-G456 PolarHBondContact O-N 3.07Å; T453-G456 PolarHBondContact OG1-N 2.05Å; T453-G456 PolarHBondContact OG1-O 2.91Å; T453-V458 HydrophobicContact CG2-CB 4.3Å; T453-V458 HydrophobicContact CG2-CG1 3.87Å |
| 454 | D | 62.2 | Low | 75.7 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -11.5 | 177.5 | -80.4 | -46.4 | 0 | 0 | 0 | 114.6 | K426 | K426-D454 WeakPolarHBondContact CD-OD1 3.48Å; K426-D454 VanDerWaalsContact CE-OD1 3.24Å; K426-D454 WeakPolarHBondContact CE-OD1 3.48Å; K426-D454 IonicContact NZ-OD1 3.04Å; K426-D454 PolarHBondContact NZ-OD1 2.99Å; K426-D454 IonicContact NZ-OD2 2.76Å |
| 455 | Y | 59.7 | Low | 75.9 | Confident | 177 Ų | 177 | 71.5 Ų | 71.5 | 69% | 0.694 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 11.5 | -175.9 | -54.7 | -75.3 | 0 | 0 | 0 | 113.6 | T453 V772 | T453-Y455 PolarHBondContact O-N 2.96Å; T453-Y455 PolarHBondContact OG1-N 2.93Å; Y455-V772 HydrophobicContact CE2-CG1 3.74Å; Y455-V772 HydrophobicContact CE2-CG2 4.19Å; Y455-V772 WeakPolarHBondContact OH-CG1 3.47Å |
| 456 | G | 66.9 | Low | 76.1 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.5 | -142.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T453 | T453-G456 CarbonylContact C-O 3.34Å; T453-G456 WeakPolarHBondContact CA-O 3.02Å; T453-G456 PolarHBondContact N-O 2.77Å; T453-G456 PolarHBondContact O-N 3.07Å; T453-G456 PolarHBondContact OG1-N 2.05Å; T453-G456 PolarHBondContact OG1-O 2.91Å |
| 457 | Y | 70.4 | Confident | 75.9 | Confident | 86 Ų | 86 | 69.9 Ų | 69.9 | 34% | 0.337 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 158.3 | 174.4 | 64 | -79.6 | 0 | 0 | 0 | 111.1 | T429 C437 L440 V443 N451 | T429-Y457 HydrophobicContact CG2-CD1 3.96Å; T429-Y457 HydrophobicContact CG2-CE1 4.09Å; C437-Y457 VanDerWaalsContact SG-CB 3.52Å; L440-Y457 HydrophobicContact CD1-CD1 4.12Å; L440-Y457 HydrophobicContact CD1-CE1 4.3Å; V443-Y457 HydrophobicContact CG1-CD2 4.45Å; V443-Y457 HydrophobicContact CG1-CE2 3.51Å; N451-Y457 CarbonylContact O-C 3.24Å; N451-Y457 WeakPolarHBondContact O-CA 3.37Å |
| 458 | V | 77.5 | Confident | 75.8 | Confident | 76 Ų | 76 | 71.7 Ų | 71.7 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 138.5 | 167.2 | 71.1 | 0 | 0 | 0 | 0 | 110 | N451 T453 | N451-V458 HydrophobicContact CB-CG1 4.06Å; N451-V458 PolarHBondContact N-O 3.32Å; N451-V458 PolarHBondContact O-N 2.91Å; T453-V458 HydrophobicContact CG2-CB 4.3Å; T453-V458 HydrophobicContact CG2-CG1 3.87Å |
| 459 | C | 83.7 | Confident | 75.7 | Confident | 19 Ų | 19 | 72.3 Ų | 72.3 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 116.3 | 177 | -68.2 | 0 | 0 | 0 | 0 | 110.6 | C444 S468 | C444-C459 WeakPolarHBondContact CA-SG 3.4Å; C444-C459 HydrophobicContact CB-CB 3.59Å; C444-C459 WeakPolarHBondContact CB-SG 3.42Å; C444-C459 WeakPolarHBondContact SG-CA 3.38Å; C444-C459 WeakPolarHBondContact SG-CB 3.02Å; C444-C459 CovalentContact SG-SG 2.04Å; C444-C459 PolarHBondContact SG-SG 3.07Å; C459-S468 WeakPolarHBondContact CB-O 3.04Å; C459-S468 PolarHBondContact SG-O 2.91Å |
| 460 | V | 85 | Confident | 75.8 | Confident | 79 Ų | 79 | 65.3 Ų | 65.3 | 48% | 0.479 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 106.4 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | G448 K449 | G448-V460 CarbonylContact C-O 3.01Å; G448-V460 WeakPolarHBondContact CA-O 3.04Å; K449-V460 PolarHBondContact N-O 2.9Å; K449-V460 PolarHBondContact O-N 3.17Å |
| 461 | C | 83.7 | Confident | 75.8 | Confident | 44 Ų | 44 | 69 Ų | 69 | 30% | 0.297 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 148.3 | -174.9 | -51.8 | 0 | 0 | 0 | 0 | 113.7 | H447 Y465 C470 | H447-C461 CarbonylContact O-C 3.3Å; C461-Y465 WeakPolarHBondContact CB-O 3.28Å; C461-C470 WeakPolarHBondContact CA-SG 3.43Å; C461-C470 HydrophobicContact CB-CB 3.74Å; C461-C470 WeakPolarHBondContact CB-SG 3.42Å; C461-C470 WeakPolarHBondContact SG-CA 3.06Å; C461-C470 WeakPolarHBondContact SG-CB 3.35Å; C461-C470 CovalentContact SG-SG 2.04Å; C461-C470 PolarHBondContact SG-SG 2.56Å |
| 462 | Q | 83.3 | Confident | 75.7 | Confident | 104 Ų | 104 | 69.2 Ų | 69.2 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 149.2 | 165.7 | -70 | 166.3 | 13.3 | 0 | 0 | 110.1 | H447 G464 Y465 | H447-Q462 PolarHBondContact ND1-OE1 3.04Å; H447-Q462 WeakPolarHBondContact O-CB 3.03Å; H447-Q462 VanDerWaalsContact O-CG 3.29Å; H447-Q462 WeakPolarHBondContact O-CG 3.05Å; H447-Q462 PolarHBondContact O-N 3.19Å; Q462-G464 PolarHBondContact O-N 3.45Å; Q462-Y465 HydrophobicContact CB-CD2 4.25Å; Q462-Y465 PolarHBondContact O-N 2.84Å |
| 463 | S | 79.3 | Confident | 75.8 | Confident | 118 Ų | 118 | 68.6 Ų | 68.6 | 83% | 0.825 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 132.4 | 174.2 | -55 | 0 | 0 | 0 | 0 | 110.8 | ||
| 464 | G | 71.4 | Confident | 75.9 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 13% | 0.134 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.5 | -14 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q462 V474 | Q462-G464 PolarHBondContact O-N 3.45Å; G464-V474 WeakPolarHBondContact O-CB 3.49Å; G464-V474 WeakPolarHBondContact O-CG2 3.24Å; G464-V474 PolarHBondContact O-N 3.26Å |
| 465 | Y | 79.6 | Confident | 76.4 | Confident | 53 Ų | 53 | 66.7 Ų | 66.7 | 21% | 0.208 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150.1 | -177.6 | -62 | -86.9 | 0 | 0 | 0 | 113.3 | H447 C461 Q462 I472 | H447-Y465 HydrophobicContact CB-CD1 3.97Å; H447-Y465 HydrophobicContact CB-CD2 3.68Å; H447-Y465 HydrophobicContact CB-CE1 4.4Å; H447-Y465 HydrophobicContact CB-CE2 4.13Å; H447-Y465 HydrophobicContact CB-CG 3.59Å; H447-Y465 AromaticContact CD2-CD1 3.64Å; H447-Y465 AromaticContact CD2-CE1 3.3Å; H447-Y465 WeakPolarHBondContact CD2-CE1 3.42Å; H447-Y465 AromaticContact CD2-CE2 3.95Å; H447-Y465 AromaticContact CD2-CZ 3.47Å; H447-Y465 VanDerWaalsContact CD2-CZ 3.47Å; H447-Y465 AromaticContact CE1-CE2 3.77Å; H447-Y465 AromaticContact CE1-CZ 3.51Å; H447-Y465 PolarHBondContact CE1-OH 2.95Å; H447-Y465 AromaticContact CG-CD1 3.81Å; H447-Y465 AromaticContact CG-CD2 3.65Å; H447-Y465 AromaticContact CG-CE1 3.73Å; H447-Y465 AromaticContact CG-CE2 3.57Å; H447-Y465 AromaticContact CG-CG 3.77Å; H447-Y465 AromaticContact CG-CZ 3.61Å; H447-Y465 AromaticContact ND1-CD2 3.9Å; H447-Y465 AromaticContact ND1-CE2 3.44Å; H447-Y465 WeakPolarHBondContact ND1-CE2 3.46Å; H447-Y465 AromaticContact ND1-CZ 3.63Å; H447-Y465 AromaticContact NE2-CE1 3.64Å; H447-Y465 AromaticContact NE2-CZ 3.45Å; H447-Y465 PolarHBondContact NE2-OH 3.31Å; C461-Y465 WeakPolarHBondContact CB-O 3.28Å; Q462-Y465 HydrophobicContact CB-CD2 4.25Å; Q462-Y465 PolarHBondContact O-N 2.84Å; Y465-I472 CarbonylContact C-O 3.58Å; Y465-I472 WeakPolarHBondContact CA-O 3.47Å |
| 466 | T | 77.7 | Confident | 77.2 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | -175.3 | 178.2 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | C470 E471 I472 V474 | T466-C470 CarbonylContact O-C 3.39Å; T466-C470 WeakPolarHBondContact O-CA 3.07Å; T466-E471 PolarHBondContact O-N 2.88Å; T466-I472 HydrophobicContact CG2-CB 3.82Å; T466-I472 HydrophobicContact CG2-CG2 3.97Å; T466-I472 PolarHBondContact N-O 2.04Å; T466-I472 WeakPolarHBondContact O-CB 3.45Å; T466-I472 PolarHBondContact O-N 3.21Å; T466-V474 HydrophobicContact CG2-CG2 3.81Å |
| 467 | G | 75.4 | Confident | 78 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 93.5 | 167.2 | -171 | 0 | 0 | 0 | 0 | 0 | 112.5 | S469 C470 E471 | G467-S469 PolarHBondContact O-N 2.83Å; G467-C470 PolarHBondContact O-N 2.98Å; G467-E471 VanDerWaalsContact CA-OE2 3.23Å; G467-E471 WeakPolarHBondContact CA-OE2 3.46Å |
| 468 | S | 78.6 | Confident | 78.5 | Confident | 90 Ų | 90 | 64.3 Ų | 64.3 | 63% | 0.629 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -23.5 | -175 | 65.8 | 0 | 0 | 0 | 0 | 113.3 | C459 E471 | C459-S468 WeakPolarHBondContact CB-O 3.04Å; C459-S468 PolarHBondContact SG-O 2.91Å; S468-E471 PolarHBondContact N-OE1 3.05Å; S468-E471 PolarHBondContact N-OE2 2.78Å |
| 469 | S | 79.9 | Confident | 78.5 | Confident | 33 Ų | 33 | 70.3 Ų | 70.3 | 23% | 0.231 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 15.9 | -174.5 | -58.1 | 0 | 0 | 0 | 0 | 111 | V443 C444 G445 G467 E471 | V443-S469 WeakPolarHBondContact O-CA 3.44Å; V443-S469 WeakPolarHBondContact O-CB 3.13Å; V443-S469 PolarHBondContact O-OG 3.17Å; C444-S469 CarbonylContact C-O 3.52Å; C444-S469 VanDerWaalsContact O-O 3.1Å; G445-S469 PolarHBondContact N-O 2.9Å; G445-S469 VanDerWaalsContact N-O 3.11Å; G467-S469 PolarHBondContact O-N 2.83Å; S469-E471 VanDerWaalsContact CA-OE2 3.23Å; S469-E471 WeakPolarHBondContact CA-OE2 3.31Å; S469-E471 WeakPolarHBondContact CB-OE2 3.47Å; S469-E471 PolarHBondContact N-OE2 3.18Å; S469-E471 PolarHBondContact O-N 3.45Å |
| 470 | C | 83.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | S | Bend | trans | 50.1 | 36 | -173.5 | -52.6 | 0 | 0 | 0 | 0 | 113.6 | H447 G448 C461 T466 G467 | H447-C470 HydrophobicContact CB-CB 4.35Å; G448-C470 VanDerWaalsContact CA-SG 3.53Å; C461-C470 WeakPolarHBondContact CA-SG 3.43Å; C461-C470 HydrophobicContact CB-CB 3.74Å; C461-C470 WeakPolarHBondContact CB-SG 3.42Å; C461-C470 WeakPolarHBondContact SG-CA 3.06Å; C461-C470 WeakPolarHBondContact SG-CB 3.35Å; C461-C470 CovalentContact SG-SG 2.04Å; C461-C470 PolarHBondContact SG-SG 2.56Å; T466-C470 CarbonylContact O-C 3.39Å; T466-C470 WeakPolarHBondContact O-CA 3.07Å; G467-C470 PolarHBondContact O-N 2.98Å |
| 471 | E | 80.3 | Confident | 78.6 | Confident | 107 Ų | 107 | 69.4 Ų | 69.4 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | trans | -93.5 | -14 | -169 | 73.4 | -78.4 | -153.4 | 0 | 0 | 113.8 | T466 G467 S468 S469 | T466-E471 PolarHBondContact O-N 2.88Å; G467-E471 VanDerWaalsContact CA-OE2 3.23Å; G467-E471 WeakPolarHBondContact CA-OE2 3.46Å; S468-E471 PolarHBondContact N-OE1 3.05Å; S468-E471 PolarHBondContact N-OE2 2.78Å; S469-E471 VanDerWaalsContact CA-OE2 3.23Å; S469-E471 WeakPolarHBondContact CA-OE2 3.31Å; S469-E471 WeakPolarHBondContact CB-OE2 3.47Å; S469-E471 PolarHBondContact N-OE2 3.18Å; S469-E471 PolarHBondContact O-N 3.45Å | ||
| 472 | I | 75.5 | Confident | 79 | Confident | 88 Ų | 88 | 68.1 Ų | 68.1 | 45% | 0.451 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.8 | -173.4 | -49.3 | 179.2 | 0 | 0 | 0 | 109.6 | Y465 T466 | Y465-I472 CarbonylContact C-O 3.58Å; Y465-I472 WeakPolarHBondContact CA-O 3.47Å; T466-I472 HydrophobicContact CG2-CB 3.82Å; T466-I472 HydrophobicContact CG2-CG2 3.97Å; T466-I472 PolarHBondContact N-O 2.04Å; T466-I472 WeakPolarHBondContact O-CB 3.45Å; T466-I472 PolarHBondContact O-N 3.21Å |
| 473 | D | 72.2 | Confident | 79.3 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 129.5 | 166.9 | -170.1 | -38.3 | 0 | 0 | 0 | 109.4 | N475 | D473-N475 PolarHBondContact O-N 3.07Å |
| 474 | V | 69.4 | Low | 79.8 | Confident | 49 Ų | 49 | 64 Ų | 64 | 30% | 0.297 | 36% | 0.361 | S | S | . | . | trans | -69.4 | 100.3 | 179.7 | 175.4 | 0 | 0 | 0 | 0 | 108.9 | G464 T466 H476 S490 | G464-V474 WeakPolarHBondContact O-CB 3.49Å; G464-V474 WeakPolarHBondContact O-CG2 3.24Å; G464-V474 PolarHBondContact O-N 3.26Å; T466-V474 HydrophobicContact CG2-CG2 3.81Å; V474-H476 VanDerWaalsContact C-N 3.34Å; V474-H476 PolarHBondContact O-CE1 2.8Å; V474-H476 PolarHBondContact O-N 2.89Å; V474-H476 PolarHBondContact O-ND1 2.9Å; V474-S490 PolarHBondContact O-OG 2.89Å; V474-S490 VanDerWaalsContact O-OG 3.09Å | ||
| 475 | N | 71.4 | Confident | 80.5 | Confident | 76 Ų | 76 | 65.1 Ų | 65.1 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | trans | -70.4 | 89.8 | 173.7 | -175.2 | -6.3 | 0 | 0 | 0 | 111 | D473 C477 L478 | D473-N475 PolarHBondContact O-N 3.07Å; N475-C477 PolarHBondContact O-N 3.13Å; N475-C477 VanDerWaalsContact O-N 3.12Å; N475-C477 WeakPolarHBondContact OD1-CB 3.24Å; N475-C477 PolarHBondContact OD1-N 3.3Å; N475-C477 VanDerWaalsContact OD1-N 3.09Å; N475-L478 HydrophobicContact CB-CD1 4.01Å; N475-L478 HydrophobicContact CB-CG 3.95Å; N475-L478 WeakPolarHBondContact O-CB 3.44Å; N475-L478 WeakPolarHBondContact O-CG 3.36Å; N475-L478 PolarHBondContact O-N 3.11Å; N475-L478 VanDerWaalsContact O-N 3.16Å | ||
| 476 | H | 76.2 | Confident | 81 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -62.4 | -17.6 | -179.7 | -67.1 | 89.8 | 0 | 0 | 0 | 113.1 | V474 L478 S490 G494 F495 | V474-H476 VanDerWaalsContact C-N 3.34Å; V474-H476 PolarHBondContact O-CE1 2.8Å; V474-H476 PolarHBondContact O-N 2.89Å; V474-H476 PolarHBondContact O-ND1 2.9Å; H476-L478 VanDerWaalsContact C-N 3.34Å; H476-S490 PolarHBondContact N-OG 2.87Å; H476-S490 PolarHBondContact ND1-OG 2.03Å; H476-G494 PolarHBondContact ND1-O 3.47Å; H476-F495 HydrophobicContact CB-CB 3.8Å; H476-F495 HydrophobicContact CB-CD1 4.08Å; H476-F495 HydrophobicContact CB-CG 4.41Å |
| 477 | C | 84.7 | Confident | 81.7 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 16% | 0.162 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -79.2 | -9.3 | 177.4 | -66 | 0 | 0 | 0 | 0 | 114.6 | N475 K479 G480 C488 F489 | N475-C477 PolarHBondContact O-N 3.13Å; N475-C477 VanDerWaalsContact O-N 3.12Å; N475-C477 WeakPolarHBondContact OD1-CB 3.24Å; N475-C477 PolarHBondContact OD1-N 3.3Å; N475-C477 VanDerWaalsContact OD1-N 3.09Å; C477-K479 PolarHBondContact O-N 3.26Å; C477-G480 PolarHBondContact O-N 2.04Å; C477-C488 WeakPolarHBondContact CA-SG 3.27Å; C477-C488 HydrophobicContact CB-CB 3.7Å; C477-C488 WeakPolarHBondContact CB-SG 3.03Å; C477-C488 WeakPolarHBondContact SG-CB 3.28Å; C477-C488 CovalentContact SG-SG 2.03Å; C477-C488 PolarHBondContact SG-SG 3.49Å; C477-F489 PolarHBondContact SG-N 2.83Å; C477-F489 VanDerWaalsContact SG-N 3.37Å |
| 478 | L | 79.5 | Confident | 82.4 | Confident | 143 Ų | 143 | 63.8 Ų | 63.8 | 75% | 0.749 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -59.3 | -20.5 | 180 | -72.6 | 171.6 | 0 | 0 | 0 | 114.2 | N475 H476 | N475-L478 HydrophobicContact CB-CD1 4.01Å; N475-L478 HydrophobicContact CB-CG 3.95Å; N475-L478 WeakPolarHBondContact O-CB 3.44Å; N475-L478 WeakPolarHBondContact O-CG 3.36Å; N475-L478 PolarHBondContact O-N 3.11Å; N475-L478 VanDerWaalsContact O-N 3.16Å; H476-L478 VanDerWaalsContact C-N 3.34Å |
| 479 | K | 79.2 | Confident | 82.8 | Confident | 202 Ų | 202 | 63.8 Ų | 63.8 | 88% | 0.878 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -90.4 | 3.3 | 174.5 | -66.5 | -170.8 | 177.7 | -177.4 | 0 | 114.4 | C477 | C477-K479 PolarHBondContact O-N 3.26Š|
| 480 | G | 82.1 | Confident | 82.8 | Confident | 52 Ų | 52 | 64 Ų | 64 | 54% | 0.536 | 36% | 0.358 | S | S | . | . | trans | 55.5 | 50.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | C477 C482 | C477-G480 PolarHBondContact O-N 2.04Å; G480-C482 VanDerWaalsContact C-N 3.28Å; G480-C482 PolarHBondContact O-N 3.35Å | ||
| 481 | P | 87.8 | Confident | 82.2 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | trans | -70.6 | -18.2 | -169.4 | 30 | -37 | 0 | 0 | 0 | 114.9 | F495 | P481-F495 HydrophobicContact CB-CD2 4.04Å; P481-F495 HydrophobicContact CB-CE1 4.08Å; P481-F495 HydrophobicContact CB-CE2 3.5Å; P481-F495 VanDerWaalsContact CB-CE2 3.5Å; P481-F495 HydrophobicContact CB-CZ 3.52Å; P481-F495 HydrophobicContact CG-CD1 4.09Å; P481-F495 HydrophobicContact CG-CD2 3.45Å; P481-F495 VanDerWaalsContact CG-CD2 3.45Å; P481-F495 HydrophobicContact CG-CE1 4.1Å; P481-F495 HydrophobicContact CG-CE2 3.48Å; P481-F495 VanDerWaalsContact CG-CE2 3.48Å; P481-F495 HydrophobicContact CG-CG 3.79Å; P481-F495 HydrophobicContact CG-CZ 3.82Å | ||
| 482 | C | 91.5 | Very high | 81.5 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | trans | -86 | 116.9 | -179.4 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | G480 G486 C488 C497 | G480-C482 VanDerWaalsContact C-N 3.28Å; G480-C482 PolarHBondContact O-N 3.35Å; C482-G486 WeakPolarHBondContact CB-O 3.09Å; C482-C488 HydrophobicContact CB-CB 4.38Å; C482-C488 WeakPolarHBondContact SG-CA 3.41Å; C482-C488 WeakPolarHBondContact SG-CB 3.2Å; C482-C497 WeakPolarHBondContact CA-SG 3.06Å; C482-C497 HydrophobicContact CB-CB 3.75Å; C482-C497 WeakPolarHBondContact CB-SG 3.32Å; C482-C497 WeakPolarHBondContact SG-CA 3.46Å; C482-C497 WeakPolarHBondContact SG-CB 3.02Å; C482-C497 CovalentContact SG-SG 2.02Å; C482-C497 PolarHBondContact SG-SG 3.16Å | ||
| 483 | I | 90.5 | Very high | 81.1 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 45% | 0.446 | 38% | 0.38 | S | S | . | . | trans | -92.9 | -179.1 | 178.9 | 67.9 | 159.2 | 0 | 0 | 0 | 111.7 | G485 G486 L507 C508 Q509 | I483-G485 PolarHBondContact O-N 3.05Å; I483-G486 PolarHBondContact O-N 3.36Å; I483-L507 VanDerWaalsContact CG1-O 3.28Å; I483-L507 WeakPolarHBondContact CG1-O 3.34Å; I483-L507 PolarHBondContact N-O 3.33Å; I483-C508 WeakPolarHBondContact O-CB 3.33Å; I483-Q509 HydrophobicContact CD1-CB 3.8Å; I483-Q509 HydrophobicContact CG1-CB 4.07Å | ||
| 484 | N | 89.8 | Confident | 81.3 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 25.5 | -177.4 | -60.3 | -32.1 | 0 | 0 | 0 | 114.5 | Y503 C508 | N484-Y503 HydrophobicContact CB-CD1 3.58Å; N484-Y503 HydrophobicContact CB-CD2 4.08Å; N484-Y503 HydrophobicContact CB-CE1 3.62Å; N484-Y503 HydrophobicContact CB-CE2 4.12Å; N484-Y503 HydrophobicContact CB-CG 3.8Å; N484-Y503 WeakPolarHBondContact ND2-CD1 3.32Å; N484-C508 PolarHBondContact ND2-O 3.5Å |
| 485 | G | 85.8 | Confident | 82 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 37% | 0.371 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 18 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I483 R500 | I483-G485 PolarHBondContact O-N 3.05Å; G485-R500 PolarHBondContact O-NE 3.5Å |
| 486 | G | 90.9 | Very high | 82.9 | Confident | 11 Ų | 11 | 71 Ų | 71 | 11% | 0.113 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -63 | 144.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C482 I483 V498 | C482-G486 WeakPolarHBondContact CB-O 3.09Å; I483-G486 PolarHBondContact O-N 3.36Å; G486-V498 CarbonylContact C-O 3.55Å; G486-V498 WeakPolarHBondContact CA-O 3.38Å |
| 487 | T | 91.5 | Very high | 83.6 | Confident | 79 Ų | 79 | 69 Ų | 69 | 49% | 0.485 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 123 | -179.6 | -53.9 | 0 | 0 | 0 | 0 | 110.1 | F489 C497 V498 | T487-F489 HydrophobicContact CG2-CD2 4.31Å; T487-F489 HydrophobicContact CG2-CE2 3.57Å; T487-F489 HydrophobicContact CG2-CZ 3.75Å; T487-C497 WeakPolarHBondContact O-CA 3.45Å; T487-V498 PolarHBondContact N-O 2.85Å; T487-V498 PolarHBondContact O-N 2.94Å |
| 488 | C | 91.4 | Very high | 84 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 138.6 | 176.1 | -169 | 0 | 0 | 0 | 0 | 111.6 | C477 C482 | C477-C488 WeakPolarHBondContact CA-SG 3.27Å; C477-C488 HydrophobicContact CB-CB 3.7Å; C477-C488 WeakPolarHBondContact CB-SG 3.03Å; C477-C488 WeakPolarHBondContact SG-CB 3.28Å; C477-C488 CovalentContact SG-SG 2.03Å; C477-C488 PolarHBondContact SG-SG 3.49Å; C482-C488 HydrophobicContact CB-CB 4.38Å; C482-C488 WeakPolarHBondContact SG-CA 3.41Å; C482-C488 WeakPolarHBondContact SG-CB 3.2Å |
| 489 | F | 86.7 | Confident | 84.7 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 40% | 0.395 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 135.5 | 169.6 | -64 | -93.6 | 0 | 0 | 0 | 109.5 | C477 T487 F495 W496 V498 | C477-F489 PolarHBondContact SG-N 2.83Å; C477-F489 VanDerWaalsContact SG-N 3.37Å; T487-F489 HydrophobicContact CG2-CD2 4.31Å; T487-F489 HydrophobicContact CG2-CE2 3.57Å; T487-F489 HydrophobicContact CG2-CZ 3.75Å; F489-F495 CarbonylContact O-C 3.54Å; F489-F495 WeakPolarHBondContact O-CA 3.28Å; F489-F495 WeakPolarHBondContact O-CB 3.28Å; F489-W496 HydrophobicContact CB-CD2 3.87Å; F489-W496 VanDerWaalsContact CB-CE2 3.4Å; F489-W496 HydrophobicContact CB-CE3 4.3Å; F489-W496 HydrophobicContact CB-CG 4.45Å; F489-W496 HydrophobicContact CB-CH2 3.9Å; F489-W496 HydrophobicContact CB-CZ2 3.44Å; F489-W496 VanDerWaalsContact CB-CZ2 3.44Å; F489-W496 HydrophobicContact CB-CZ3 4.31Å; F489-W496 AromaticContact CD2-NE1 3.93Å; F489-W496 HydrophobicContact CG-CZ2 4.12Å; F489-W496 AromaticContact CG-NE1 3.99Å; F489-W496 PolarHBondContact N-O 2.85Å; F489-W496 PolarHBondContact O-N 2.94Å; F489-V498 HydrophobicContact CD2-CG2 3.84Å; F489-V498 HydrophobicContact CE2-CB 3.96Å; F489-V498 HydrophobicContact CE2-CG2 3.51Å |
| 490 | S | 79.7 | Confident | 85.2 | Confident | 37 Ų | 37 | 64.5 Ų | 64.5 | 26% | 0.259 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 154 | 174.9 | -166.6 | 0 | 0 | 0 | 0 | 110.3 | V474 H476 | V474-S490 PolarHBondContact O-OG 2.89Å; V474-S490 VanDerWaalsContact O-OG 3.09Å; H476-S490 PolarHBondContact N-OG 2.87Å; H476-S490 PolarHBondContact ND1-OG 2.03Å |
| 491 | G | 71.1 | Confident | 85.5 | Confident | 8 Ų | 8 | 71 Ų | 71 | 8% | 0.082 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | -176.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y493 G494 | G491-Y493 PolarHBondContact O-N 2.75Å; G491-G494 PolarHBondContact N-O 3Å; G491-G494 PolarHBondContact O-N 3.32Å |
| 492 | P | 65.6 | Low | 85.7 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -15.8 | -166.1 | -27.9 | 35.9 | 0 | 0 | 0 | 116.5 | ||
| 493 | Y | 65.9 | Low | 85.8 | Confident | 235 Ų | 235 | 71.2 Ų | 71.2 | 92% | 0.922 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 7.7 | -176.4 | -54.1 | -68.7 | 0 | 0 | 0 | 113.8 | G491 | G491-Y493 PolarHBondContact O-N 2.75Š|
| 494 | G | 77.6 | Confident | 85.9 | Confident | 16 Ų | 16 | 73 Ų | 73 | 17% | 0.165 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.5 | -143.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | H476 G491 | H476-G494 PolarHBondContact ND1-O 3.47Å; G491-G494 PolarHBondContact N-O 3Å; G491-G494 PolarHBondContact O-N 3.32Å |
| 495 | F | 84.2 | Confident | 85.9 | Confident | 81 Ų | 81 | 72 Ų | 72 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 163.3 | 173.8 | 67.7 | -86 | 0 | 0 | 0 | 111.3 | H476 P481 F489 L507 | H476-F495 HydrophobicContact CB-CB 3.8Å; H476-F495 HydrophobicContact CB-CD1 4.08Å; H476-F495 HydrophobicContact CB-CG 4.41Å; P481-F495 HydrophobicContact CB-CD2 4.04Å; P481-F495 HydrophobicContact CB-CE1 4.08Å; P481-F495 HydrophobicContact CB-CE2 3.5Å; P481-F495 VanDerWaalsContact CB-CE2 3.5Å; P481-F495 HydrophobicContact CB-CZ 3.52Å; P481-F495 HydrophobicContact CG-CD1 4.09Å; P481-F495 HydrophobicContact CG-CD2 3.45Å; P481-F495 VanDerWaalsContact CG-CD2 3.45Å; P481-F495 HydrophobicContact CG-CE1 4.1Å; P481-F495 HydrophobicContact CG-CE2 3.48Å; P481-F495 VanDerWaalsContact CG-CE2 3.48Å; P481-F495 HydrophobicContact CG-CG 3.79Å; P481-F495 HydrophobicContact CG-CZ 3.82Å; F489-F495 CarbonylContact O-C 3.54Å; F489-F495 WeakPolarHBondContact O-CA 3.28Å; F489-F495 WeakPolarHBondContact O-CB 3.28Å; F495-L507 HydrophobicContact CE2-CD2 3.59Å; F495-L507 HydrophobicContact CZ-CD2 3.81Å |
| 496 | W | 88.7 | Confident | 86.1 | Confident | 137 Ų | 137 | 76.6 Ų | 76.6 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156.6 | 164.6 | 66.5 | 97 | 0 | 0 | 0 | 111.2 | F489 | F489-W496 HydrophobicContact CB-CD2 3.87Å; F489-W496 VanDerWaalsContact CB-CE2 3.4Å; F489-W496 HydrophobicContact CB-CE3 4.3Å; F489-W496 HydrophobicContact CB-CG 4.45Å; F489-W496 HydrophobicContact CB-CH2 3.9Å; F489-W496 HydrophobicContact CB-CZ2 3.44Å; F489-W496 VanDerWaalsContact CB-CZ2 3.44Å; F489-W496 HydrophobicContact CB-CZ3 4.31Å; F489-W496 AromaticContact CD2-NE1 3.93Å; F489-W496 HydrophobicContact CG-CZ2 4.12Å; F489-W496 AromaticContact CG-NE1 3.99Å; F489-W496 PolarHBondContact N-O 2.85Å; F489-W496 PolarHBondContact O-N 2.94Å |
| 497 | C | 92.5 | Very high | 86.1 | Confident | 20 Ų | 20 | 79.2 Ų | 79.2 | 14% | 0.135 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.4 | -178 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | C482 T487 D506 | C482-C497 WeakPolarHBondContact CA-SG 3.06Å; C482-C497 HydrophobicContact CB-CB 3.75Å; C482-C497 WeakPolarHBondContact CB-SG 3.32Å; C482-C497 WeakPolarHBondContact SG-CA 3.46Å; C482-C497 WeakPolarHBondContact SG-CB 3.02Å; C482-C497 CovalentContact SG-SG 2.02Å; C482-C497 PolarHBondContact SG-SG 3.16Å; T487-C497 WeakPolarHBondContact O-CA 3.45Å; C497-D506 VanDerWaalsContact CB-O 3.31Å; C497-D506 WeakPolarHBondContact CB-O 3.35Å; C497-D506 PolarHBondContact SG-O 2.88Å |
| 498 | V | 93.2 | Very high | 86.2 | Confident | 75 Ų | 75 | 75.5 Ų | 75.5 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 110.6 | 168.2 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | G486 T487 F489 | G486-V498 CarbonylContact C-O 3.55Å; G486-V498 WeakPolarHBondContact CA-O 3.38Å; T487-V498 PolarHBondContact N-O 2.85Å; T487-V498 PolarHBondContact O-N 2.94Å; F489-V498 HydrophobicContact CD2-CG2 3.84Å; F489-V498 HydrophobicContact CE2-CB 3.96Å; F489-V498 HydrophobicContact CE2-CG2 3.51Å |
| 499 | C | 92.3 | Very high | 86.2 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 27% | 0.27 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 147.1 | -171.9 | -53.4 | 0 | 0 | 0 | 0 | 113.1 | Y503 C508 | C499-Y503 WeakPolarHBondContact CB-O 3.35Å; C499-C508 WeakPolarHBondContact CA-SG 3.38Å; C499-C508 HydrophobicContact CB-CB 3.75Å; C499-C508 WeakPolarHBondContact CB-SG 3.35Å; C499-C508 WeakPolarHBondContact SG-CA 3.43Å; C499-C508 WeakPolarHBondContact SG-CB 3.42Å; C499-C508 CovalentContact SG-SG 2.04Å; C499-C508 PolarHBondContact SG-SG 3.14Å |
| 500 | R | 90 | Very high | 86.5 | Confident | 160 Ų | 160 | 77.4 Ų | 77.4 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 151 | 166.4 | -64.4 | -175.6 | -178.8 | -153.6 | -0.6 | 109.4 | G485 G502 Y503 | G485-R500 PolarHBondContact O-NE 3.5Å; R500-G502 PolarHBondContact O-N 2.81Å; R500-Y503 HydrophobicContact CB-CD2 4.21Å; R500-Y503 PolarHBondContact O-N 3.3Å |
| 501 | K | 89.6 | Confident | 87.1 | Confident | 188 Ų | 188 | 77.6 Ų | 77.6 | 82% | 0.817 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 136.4 | 168.9 | -171.9 | 178.7 | 178.8 | -177.1 | 0 | 109.3 | ||
| 502 | G | 90.9 | Very high | 88.1 | Confident | 4 Ų | 4 | 77.9 Ų | 77.9 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -11.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R500 V512 | R500-G502 PolarHBondContact O-N 2.81Å; G502-V512 VanDerWaalsContact C-CG2 3.48Å; G502-V512 WeakPolarHBondContact O-CB 3.2Å; G502-V512 WeakPolarHBondContact O-CG2 3.25Å; G502-V512 PolarHBondContact O-N 3.47Å |
| 503 | Y | 94.7 | Very high | 89.4 | Confident | 45 Ų | 45 | 76.6 Ų | 76.6 | 18% | 0.176 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.1 | -176.8 | -58.6 | -79.7 | 0 | 0 | 0 | 114.1 | N484 C499 R500 Q510 F532 G533 | N484-Y503 HydrophobicContact CB-CD1 3.58Å; N484-Y503 HydrophobicContact CB-CD2 4.08Å; N484-Y503 HydrophobicContact CB-CE1 3.62Å; N484-Y503 HydrophobicContact CB-CE2 4.12Å; N484-Y503 HydrophobicContact CB-CG 3.8Å; N484-Y503 WeakPolarHBondContact ND2-CD1 3.32Å; C499-Y503 WeakPolarHBondContact CB-O 3.35Å; R500-Y503 HydrophobicContact CB-CD2 4.21Å; R500-Y503 PolarHBondContact O-N 3.3Å; Y503-Q510 CarbonylContact C-O 3.55Å; Y503-Q510 WeakPolarHBondContact CA-O 3.37Å; Y503-F532 HydrophobicContact CE1-CD1 4.05Å; Y503-F532 AromaticContact CE1-CE1 3.64Å; Y503-F532 HydrophobicContact CE1-CE1 3.64Å; Y503-F532 HydrophobicContact CE1-CE2 4.2Å; Y503-F532 AromaticContact CE1-CZ 3.74Å; Y503-F532 HydrophobicContact CE1-CZ 3.74Å; Y503-F532 WeakPolarHBondContact OH-CD1 3.16Å; Y503-G533 VanDerWaalsContact CZ-CA 3.49Å |
| 504 | R | 91.5 | Very high | 90.6 | Very high | 125 Ų | 125 | 66 Ų | 66 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 177.1 | 179.3 | 67.2 | -176.1 | 168.6 | 144.5 | 4.6 | 112.8 | C508 Q509 Q510 D511 V512 | R504-C508 CarbonylContact O-C 3.57Å; R504-C508 VanDerWaalsContact O-C 3.28Å; R504-C508 WeakPolarHBondContact O-CA 3.38Å; R504-Q509 PolarHBondContact O-N 3.04Å; R504-Q510 HydrophobicContact CG-CB 3.74Å; R504-Q510 PolarHBondContact N-O 2.82Å; R504-Q510 WeakPolarHBondContact O-CB 3.21Å; R504-Q510 PolarHBondContact O-N 2.94Å; R504-D511 PolarHBondContact NE-O 2.03Å; R504-D511 VanDerWaalsContact NE-O 3.09Å; R504-V512 HydrophobicContact CB-CG2 4.04Å; R504-V512 HydrophobicContact CG-CG2 3.95Å |
| 505 | G | 90.8 | Very high | 91.2 | Very high | 26 Ų | 26 | 66.5 Ų | 66.5 | 27% | 0.268 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 89.2 | 161.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L507 C508 Q509 | G505-L507 PolarHBondContact O-N 2.91Å; G505-L507 VanDerWaalsContact O-N 3.11Å; G505-C508 WeakPolarHBondContact O-CA 3.36Å; G505-C508 PolarHBondContact O-N 2.86Å; G505-Q509 VanDerWaalsContact C-OE1 3.28Å |
| 506 | D | 89.7 | Confident | 91.6 | Very high | 134 Ų | 134 | 70.2 Ų | 70.2 | 72% | 0.717 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.2 | -166.6 | -43.5 | -56.4 | 0 | 0 | 0 | 114.4 | C497 | C497-D506 VanDerWaalsContact CB-O 3.31Å; C497-D506 WeakPolarHBondContact CB-O 3.35Å; C497-D506 PolarHBondContact SG-O 2.88Å |
| 507 | L | 90.9 | Very high | 91.4 | Very high | 66 Ų | 66 | 69.2 Ų | 69.2 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 11.1 | 174.7 | -52.9 | -177.7 | 0 | 0 | 0 | 112.1 | I483 F495 G505 Q509 | I483-L507 VanDerWaalsContact CG1-O 3.28Å; I483-L507 WeakPolarHBondContact CG1-O 3.34Å; I483-L507 PolarHBondContact N-O 3.33Å; F495-L507 HydrophobicContact CE2-CD2 3.59Å; F495-L507 HydrophobicContact CZ-CD2 3.81Å; G505-L507 PolarHBondContact O-N 2.91Å; G505-L507 VanDerWaalsContact O-N 3.11Å; L507-Q509 HydrophobicContact CB-CB 4.42Å; L507-Q509 PolarHBondContact O-N 3.16Å |
| 508 | C | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 59.2 | 25.5 | -170.3 | -51 | 0 | 0 | 0 | 0 | 114.3 | I483 N484 C499 R504 G505 Q510 | I483-C508 WeakPolarHBondContact O-CB 3.33Å; N484-C508 PolarHBondContact ND2-O 3.5Å; C499-C508 WeakPolarHBondContact CA-SG 3.38Å; C499-C508 HydrophobicContact CB-CB 3.75Å; C499-C508 WeakPolarHBondContact CB-SG 3.35Å; C499-C508 WeakPolarHBondContact SG-CA 3.43Å; C499-C508 WeakPolarHBondContact SG-CB 3.42Å; C499-C508 CovalentContact SG-SG 2.04Å; C499-C508 PolarHBondContact SG-SG 3.14Å; R504-C508 CarbonylContact O-C 3.57Å; R504-C508 VanDerWaalsContact O-C 3.28Å; R504-C508 WeakPolarHBondContact O-CA 3.38Å; G505-C508 WeakPolarHBondContact O-CA 3.36Å; G505-C508 PolarHBondContact O-N 2.86Å; C508-Q510 VanDerWaalsContact C-N 3.34Å; C508-Q510 PolarHBondContact O-N 2.83Å |
| 509 | Q | 92.2 | Very high | 90.4 | Very high | 79 Ų | 79 | 78 Ų | 78 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | trans | -79 | -11 | -171.2 | 75.9 | -78.4 | 23.3 | 0 | 0 | 115.1 | I483 R504 G505 L507 | I483-Q509 HydrophobicContact CD1-CB 3.8Å; I483-Q509 HydrophobicContact CG1-CB 4.07Å; R504-Q509 PolarHBondContact O-N 3.04Å; G505-Q509 VanDerWaalsContact C-OE1 3.28Å; L507-Q509 HydrophobicContact CB-CB 4.42Å; L507-Q509 PolarHBondContact O-N 3.16Å | ||
| 510 | Q | 92.3 | Very high | 90 | Very high | 85 Ų | 85 | 82 Ų | 82 | 40% | 0.397 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.3 | -178 | -54.6 | 178.9 | 12.8 | 0 | 0 | 111 | Y503 R504 C508 | Y503-Q510 CarbonylContact C-O 3.55Å; Y503-Q510 WeakPolarHBondContact CA-O 3.37Å; R504-Q510 HydrophobicContact CG-CB 3.74Å; R504-Q510 PolarHBondContact N-O 2.82Å; R504-Q510 WeakPolarHBondContact O-CB 3.21Å; R504-Q510 PolarHBondContact O-N 2.94Å; C508-Q510 VanDerWaalsContact C-N 3.34Å; C508-Q510 PolarHBondContact O-N 2.83Å |
| 511 | D | 92.8 | Very high | 90 | Very high | 41 Ų | 41 | 75.7 Ų | 75.7 | 22% | 0.219 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 153.1 | 167.6 | -168.7 | 47.8 | 0 | 0 | 0 | 111.7 | R504 N530 F532 G533 | R504-D511 PolarHBondContact NE-O 2.03Å; R504-D511 VanDerWaalsContact NE-O 3.09Å; D511-N530 PolarHBondContact OD2-ND2 3.45Å; D511-F532 HydrophobicContact CB-CD2 4.21Å; D511-F532 HydrophobicContact CB-CE2 4.42Å; D511-F532 WeakPolarHBondContact OD1-CA 3.31Å; D511-G533 PolarHBondContact OD1-N 2.04Å |
| 512 | V | 91.7 | Very high | 90 | Very high | 13 Ų | 13 | 66.9 Ų | 66.9 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | trans | -106.8 | 111.1 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | G502 R504 E514 Q517 N530 | G502-V512 VanDerWaalsContact C-CG2 3.48Å; G502-V512 WeakPolarHBondContact O-CB 3.2Å; G502-V512 WeakPolarHBondContact O-CG2 3.25Å; G502-V512 PolarHBondContact O-N 3.47Å; R504-V512 HydrophobicContact CB-CG2 4.04Å; R504-V512 HydrophobicContact CG-CG2 3.95Å; V512-E514 HydrophobicContact CG1-CG 4.13Å; V512-E514 PolarHBondContact O-N 3.14Å; V512-Q517 HydrophobicContact CG1-CG 4.47Å; V512-N530 PolarHBondContact O-OD1 2.94Å | ||
| 513 | D | 92.4 | Very high | 89.7 | Confident | 38 Ų | 38 | 68.3 Ų | 68.3 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | trans | -75.8 | 86.2 | 177 | -167.6 | -35 | 0 | 0 | 0 | 110.7 | C515 K516 Q517 N530 | D513-C515 PolarHBondContact O-N 3.43Å; D513-C515 WeakPolarHBondContact OD1-CB 3.25Å; D513-C515 PolarHBondContact OD1-N 3.48Å; D513-K516 HydrophobicContact CB-CB 4.2Å; D513-K516 HydrophobicContact CB-CD 4.45Å; D513-K516 HydrophobicContact CB-CG 4.36Å; D513-K516 PolarHBondContact O-N 2.95Å; D513-K516 PolarHBondContact OD1-N 3.05Å; D513-K516 IonicContact OD2-NZ 2.58Å; D513-K516 PolarHBondContact OD2-NZ 2.04Å; D513-Q517 PolarHBondContact O-N 2.84Å; D513-N530 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 514 | E | 91.4 | Very high | 89.2 | Confident | 13 Ų | 13 | 73 Ų | 73 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.6 | -28.4 | -176.3 | -72.8 | 138 | 155.1 | 0 | 0 | 111.9 | V512 K516 Q517 H518 N530 S534 Y535 | V512-E514 HydrophobicContact CG1-CG 4.13Å; V512-E514 PolarHBondContact O-N 3.14Å; E514-K516 VanDerWaalsContact C-N 3.27Å; E514-K516 PolarHBondContact O-N 2.83Å; E514-Q517 PolarHBondContact O-N 3.33Å; E514-H518 PolarHBondContact O-N 2.94Å; E514-N530 PolarHBondContact N-OD1 3.19Å; E514-S534 VanDerWaalsContact OE2-CA 3.29Å; E514-S534 WeakPolarHBondContact OE2-CA 3.25Å; E514-Y535 HydrophobicContact CB-CD1 3.73Å; E514-Y535 HydrophobicContact CB-CG 4.12Å; E514-Y535 HydrophobicContact CG-CD1 4.15Å; E514-Y535 WeakPolarHBondContact OE2-CD1 3.5Å; E514-Y535 PolarHBondContact OE2-N 2.59Å |
| 515 | C | 91.2 | Very high | 89 | Confident | 27 Ų | 27 | 69.9 Ų | 69.9 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.7 | -27.1 | 172.6 | -58.6 | 0 | 0 | 0 | 0 | 113 | D513 C528 I529 N530 | D513-C515 PolarHBondContact O-N 3.43Å; D513-C515 WeakPolarHBondContact OD1-CB 3.25Å; D513-C515 PolarHBondContact OD1-N 3.48Å; C515-C528 WeakPolarHBondContact CA-SG 3.36Å; C515-C528 HydrophobicContact CB-CB 3.76Å; C515-C528 WeakPolarHBondContact CB-SG 3.45Å; C515-C528 VanDerWaalsContact SG-C 3.56Å; C515-C528 WeakPolarHBondContact SG-CB 3.43Å; C515-C528 CovalentContact SG-SG 2.04Å; C515-C528 PolarHBondContact SG-SG 3.49Å; C515-I529 VanDerWaalsContact SG-C 3.52Å; C515-I529 PolarHBondContact SG-N 3.34Å; C515-N530 PolarHBondContact SG-N 3.11Å; C515-N530 VanDerWaalsContact SG-N 3.37Å |
| 516 | K | 91.3 | Very high | 89 | Confident | 159 Ų | 159 | 69.2 Ų | 69.2 | 69% | 0.691 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -88.1 | -26.5 | 171 | -71.5 | -170.9 | -176 | 85.3 | 0 | 113.7 | D513 E514 | D513-K516 HydrophobicContact CB-CB 4.2Å; D513-K516 HydrophobicContact CB-CD 4.45Å; D513-K516 HydrophobicContact CB-CG 4.36Å; D513-K516 PolarHBondContact O-N 2.95Å; D513-K516 PolarHBondContact OD1-N 3.05Å; D513-K516 IonicContact OD2-NZ 2.58Å; D513-K516 PolarHBondContact OD2-NZ 2.04Å; E514-K516 VanDerWaalsContact C-N 3.27Å; E514-K516 PolarHBondContact O-N 2.83Å |
| 517 | Q | 85.8 | Confident | 89.1 | Confident | 115 Ų | 115 | 71.5 Ų | 71.5 | 54% | 0.537 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -75.7 | -30.8 | 175.8 | -69.4 | -168.2 | -21 | 0 | 0 | 112.6 | V512 D513 E514 | V512-Q517 HydrophobicContact CG1-CG 4.47Å; D513-Q517 PolarHBondContact O-N 2.84Å; E514-Q517 PolarHBondContact O-N 3.33Å |
| 518 | H | 85.8 | Confident | 89.2 | Confident | 112 Ų | 112 | 69.7 Ų | 69.7 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | trans | -139 | 84.7 | -176.8 | -63.1 | -62.5 | 0 | 0 | 0 | 110.3 | E514 N520 I521 | E514-H518 PolarHBondContact O-N 2.94Å; H518-N520 PolarHBondContact O-N 2.94Å; H518-I521 HydrophobicContact CB-CB 3.83Å; H518-I521 HydrophobicContact CB-CD1 4.07Å; H518-I521 HydrophobicContact CB-CG1 4.32Å; H518-I521 WeakPolarHBondContact O-CB 3.05Å; H518-I521 WeakPolarHBondContact O-CG2 3.47Å; H518-I521 PolarHBondContact O-N 2.03Å | ||
| 519 | E | 78.7 | Confident | 89.2 | Confident | 169 Ų | 169 | 73.1 Ų | 73.1 | 79% | 0.79 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -29.9 | -172 | -60.3 | -175 | 139.6 | 0 | 0 | 114.4 | ||
| 520 | N | 83.5 | Confident | 89.2 | Confident | 123 Ų | 123 | 71.5 Ų | 71.5 | 66% | 0.658 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 25.3 | 179.9 | -67 | -58 | 0 | 0 | 0 | 114 | H518 C522 G523 | H518-N520 PolarHBondContact O-N 2.94Å; N520-C522 PolarHBondContact O-N 3.34Å; N520-G523 PolarHBondContact O-N 3.48Å |
| 521 | I | 89.5 | Confident | 89 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -11.8 | -178.6 | -161.6 | 164.4 | 0 | 0 | 0 | 114.6 | H518 C528 Y535 H547 | H518-I521 HydrophobicContact CB-CB 3.83Å; H518-I521 HydrophobicContact CB-CD1 4.07Å; H518-I521 HydrophobicContact CB-CG1 4.32Å; H518-I521 WeakPolarHBondContact O-CB 3.05Å; H518-I521 WeakPolarHBondContact O-CG2 3.47Å; H518-I521 PolarHBondContact O-N 2.03Å; I521-C528 HydrophobicContact CG2-CB 4.19Å; I521-C528 WeakPolarHBondContact CG2-SG 3.07Å; I521-Y535 HydrophobicContact CD1-CD1 4.19Å; I521-Y535 HydrophobicContact CD1-CD2 4.27Å; I521-Y535 HydrophobicContact CD1-CE1 3.64Å; I521-Y535 HydrophobicContact CD1-CE2 3.72Å; I521-Y535 HydrophobicContact CD1-CG 4.5Å; I521-Y535 HydrophobicContact CG1-CD2 4.44Å; I521-Y535 HydrophobicContact CG1-CE1 4.49Å; I521-Y535 HydrophobicContact CG1-CE2 3.71Å; I521-Y535 HydrophobicContact CG2-CD2 4.06Å; I521-Y535 HydrophobicContact CG2-CE2 4.09Å; I521-H547 PolarHBondContact O-ND1 3.44Å |
| 522 | C | 89.1 | Confident | 88.9 | Confident | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.02 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 21.3 | 176 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | N520 G526 C528 C537 H547 | N520-C522 PolarHBondContact O-N 3.34Å; C522-G526 WeakPolarHBondContact CB-O 3.04Å; C522-G526 WeakPolarHBondContact O-CA 3.38Å; C522-G526 PolarHBondContact O-N 2.69Å; C522-G526 VanDerWaalsContact O-N 3.17Å; C522-C528 WeakPolarHBondContact SG-CA 3.48Å; C522-C528 VanDerWaalsContact SG-CB 3.59Å; C522-C537 WeakPolarHBondContact CA-SG 3.1Å; C522-C537 HydrophobicContact CB-CB 3.61Å; C522-C537 WeakPolarHBondContact CB-SG 3.1Å; C522-C537 WeakPolarHBondContact SG-CA 2.98Å; C522-C537 WeakPolarHBondContact SG-CB 3.3Å; C522-C537 CovalentContact SG-SG 2.03Å; C522-C537 PolarHBondContact SG-SG 3.48Å; C522-H547 CarbonylContact C-O 3.57Å |
| 523 | G | 84.6 | Confident | 88.7 | Confident | 33 Ų | 33 | 76.2 Ų | 76.2 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | trans | 60.6 | -163.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | N520 H525 H547 | N520-G523 PolarHBondContact O-N 3.48Å; G523-H525 VanDerWaalsContact C-N 3.28Å; G523-H547 PolarHBondContact N-O 3.46Å | ||
| 524 | L | 85.3 | Confident | 88.6 | Confident | 144 Ų | 144 | 77.2 Ų | 77.2 | 75% | 0.754 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -11.2 | 174.2 | -69.9 | 168.4 | 0 | 0 | 0 | 113 | F540 | L524-F540 WeakPolarHBondContact O-CE2 3.34Š|
| 525 | H | 88 | Confident | 88.7 | Confident | 60 Ų | 60 | 79.1 Ų | 79.1 | 28% | 0.278 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 20.1 | -168.2 | -42.1 | 121.7 | 0 | 0 | 0 | 113.6 | G523 C539 F540 Y543 C548 | G523-H525 VanDerWaalsContact C-N 3.28Å; H525-C539 CarbonylContact O-C 3.53Å; H525-C539 WeakPolarHBondContact O-CA 3.28Å; H525-F540 VanDerWaalsContact C-CD2 3.49Å; H525-F540 HydrophobicContact CB-CD2 4.35Å; H525-F540 WeakPolarHBondContact O-CG 3.39Å; H525-F540 PolarHBondContact O-N 3.28Å; H525-Y543 HydrophobicContact CB-CD1 3.78Å; H525-Y543 HydrophobicContact CB-CD2 3.66Å; H525-Y543 HydrophobicContact CB-CE1 4.12Å; H525-Y543 HydrophobicContact CB-CE2 3.99Å; H525-Y543 HydrophobicContact CB-CG 3.53Å; H525-Y543 AromaticContact CD2-CE2 3.93Å; H525-Y543 AromaticContact CD2-CZ 3.72Å; H525-Y543 AromaticContact CE1-CE1 3.58Å; H525-Y543 AromaticContact CE1-CZ 3.76Å; H525-Y543 AromaticContact CG-CD1 3.73Å; H525-Y543 AromaticContact CG-CD2 3.97Å; H525-Y543 AromaticContact CG-CE1 3.56Å; H525-Y543 AromaticContact CG-CE2 3.8Å; H525-Y543 AromaticContact CG-CG 3.93Å; H525-Y543 AromaticContact CG-CZ 3.59Å; H525-Y543 AromaticContact ND1-CD1 3.51Å; H525-Y543 AromaticContact ND1-CE1 3.21Å; H525-Y543 WeakPolarHBondContact ND1-CE1 3.31Å; H525-Y543 AromaticContact ND1-CZ 3.64Å; H525-Y543 AromaticContact NE2-CZ 3.85Å; H525-C548 HydrophobicContact CB-CB 4.4Å; H525-C548 WeakPolarHBondContact O-CB 3.21Å |
| 526 | G | 89.6 | Confident | 88.7 | Confident | 12 Ų | 12 | 84.2 Ų | 84.2 | 12% | 0.124 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 147.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C522 K538 | C522-G526 WeakPolarHBondContact CB-O 3.04Å; C522-G526 WeakPolarHBondContact O-CA 3.38Å; C522-G526 PolarHBondContact O-N 2.69Å; C522-G526 VanDerWaalsContact O-N 3.17Å; G526-K538 CarbonylContact C-O 3.6Å; G526-K538 VanDerWaalsContact CA-O 3.32Å; G526-K538 WeakPolarHBondContact CA-O 3.31Å |
| 527 | R | 91.7 | Very high | 88.8 | Confident | 181 Ų | 181 | 77.4 Ų | 77.4 | 68% | 0.683 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 126 | 172.4 | 176.8 | 173.6 | 173.8 | 172.7 | 0.1 | 110.3 | K538 | R527-K538 PolarHBondContact N-O 2.77Å; R527-K538 PolarHBondContact O-N 2.86Å |
| 528 | C | 93.5 | Very high | 89 | Confident | 28 Ų | 28 | 78.5 Ų | 78.5 | 19% | 0.189 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 140.5 | 171.9 | -163.7 | 0 | 0 | 0 | 0 | 111.8 | C515 I521 C522 | C515-C528 WeakPolarHBondContact CA-SG 3.36Å; C515-C528 HydrophobicContact CB-CB 3.76Å; C515-C528 WeakPolarHBondContact CB-SG 3.45Å; C515-C528 VanDerWaalsContact SG-C 3.56Å; C515-C528 WeakPolarHBondContact SG-CB 3.43Å; C515-C528 CovalentContact SG-SG 2.04Å; C515-C528 PolarHBondContact SG-SG 3.49Å; I521-C528 HydrophobicContact CG2-CB 4.19Å; I521-C528 WeakPolarHBondContact CG2-SG 3.07Å; C522-C528 WeakPolarHBondContact SG-CA 3.48Å; C522-C528 VanDerWaalsContact SG-CB 3.59Å |
| 529 | I | 92.5 | Very high | 89.3 | Confident | 72 Ų | 72 | 75 Ų | 75 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 116.8 | 173.8 | -57.4 | 174.6 | 0 | 0 | 0 | 106.8 | C515 L531 Y535 K536 K538 | C515-I529 VanDerWaalsContact SG-C 3.52Å; C515-I529 PolarHBondContact SG-N 3.34Å; I529-L531 HydrophobicContact CG2-CD2 4.31Å; I529-Y535 CarbonylContact O-C 3.28Å; I529-Y535 WeakPolarHBondContact O-CA 3.48Å; I529-K536 WeakPolarHBondContact CB-O 3.41Å; I529-K536 PolarHBondContact N-O 2.89Å; I529-K536 PolarHBondContact O-N 3.27Å; I529-K538 HydrophobicContact CD1-CB 4.08Å |
| 530 | N | 91.7 | Very high | 89.8 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 142.6 | 176 | -162.5 | 69.5 | 0 | 0 | 0 | 110.7 | D511 V512 D513 E514 C515 | D511-N530 PolarHBondContact OD2-ND2 3.45Å; V512-N530 PolarHBondContact O-OD1 2.94Å; D513-N530 WeakPolarHBondContact CA-OD1 3.47Å; E514-N530 PolarHBondContact N-OD1 3.19Å; C515-N530 PolarHBondContact SG-N 3.11Å; C515-N530 VanDerWaalsContact SG-N 3.37Å |
| 531 | L | 89.6 | Confident | 89.8 | Confident | 86 Ų | 86 | 75.9 Ų | 75.9 | 45% | 0.45 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 168.4 | 176.7 | -53.1 | 172.5 | 0 | 0 | 0 | 108.3 | I529 G533 S534 K536 | I529-L531 HydrophobicContact CG2-CD2 4.31Å; L531-G533 PolarHBondContact O-N 2.74Å; L531-G533 VanDerWaalsContact O-N 3.14Å; L531-S534 CarbonylContact C-O 3.59Å; L531-S534 VanDerWaalsContact C-O 3.24Å; L531-S534 VanDerWaalsContact CA-O 3.23Å; L531-S534 WeakPolarHBondContact CA-O 3.38Å; L531-S534 VanDerWaalsContact CB-O 3.25Å; L531-S534 WeakPolarHBondContact CB-O 3.22Å; L531-S534 PolarHBondContact N-O 3.03Å; L531-S534 PolarHBondContact O-N 2.92Å; L531-K536 HydrophobicContact CD1-CB 3.86Å |
| 532 | F | 90.9 | Very high | 89.3 | Confident | 135 Ų | 135 | 76.6 Ų | 76.6 | 59% | 0.592 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 111.3 | 178.1 | -169.8 | -106.7 | 0 | 0 | 0 | 110.6 | Y503 D511 | Y503-F532 HydrophobicContact CE1-CD1 4.05Å; Y503-F532 AromaticContact CE1-CE1 3.64Å; Y503-F532 HydrophobicContact CE1-CE1 3.64Å; Y503-F532 HydrophobicContact CE1-CE2 4.2Å; Y503-F532 AromaticContact CE1-CZ 3.74Å; Y503-F532 HydrophobicContact CE1-CZ 3.74Å; Y503-F532 WeakPolarHBondContact OH-CD1 3.16Å; D511-F532 HydrophobicContact CB-CD2 4.21Å; D511-F532 HydrophobicContact CB-CE2 4.42Å; D511-F532 WeakPolarHBondContact OD1-CA 3.31Å |
| 533 | G | 87.4 | Confident | 89.2 | Confident | 17 Ų | 17 | 80.2 Ų | 80.2 | 18% | 0.175 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 15 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y503 D511 L531 | Y503-G533 VanDerWaalsContact CZ-CA 3.49Å; D511-G533 PolarHBondContact OD1-N 2.04Å; L531-G533 PolarHBondContact O-N 2.74Å; L531-G533 VanDerWaalsContact O-N 3.14Å |
| 534 | S | 90.4 | Very high | 89 | Confident | 59 Ų | 59 | 81.7 Ų | 81.7 | 41% | 0.413 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | 174.7 | 179 | -166.4 | 0 | 0 | 0 | 0 | 111.4 | E514 L531 | E514-S534 VanDerWaalsContact OE2-CA 3.29Å; E514-S534 WeakPolarHBondContact OE2-CA 3.25Å; L531-S534 CarbonylContact C-O 3.59Å; L531-S534 VanDerWaalsContact C-O 3.24Å; L531-S534 VanDerWaalsContact CA-O 3.23Å; L531-S534 WeakPolarHBondContact CA-O 3.38Å; L531-S534 VanDerWaalsContact CB-O 3.25Å; L531-S534 WeakPolarHBondContact CB-O 3.22Å; L531-S534 PolarHBondContact N-O 3.03Å; L531-S534 PolarHBondContact O-N 2.92Å |
| 535 | Y | 92.1 | Very high | 88.9 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 21% | 0.208 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 165.8 | 169.7 | 67.5 | -75.7 | 0 | 0 | 0 | 111.2 | E514 I521 I529 H547 | E514-Y535 HydrophobicContact CB-CD1 3.73Å; E514-Y535 HydrophobicContact CB-CG 4.12Å; E514-Y535 HydrophobicContact CG-CD1 4.15Å; E514-Y535 WeakPolarHBondContact OE2-CD1 3.5Å; E514-Y535 PolarHBondContact OE2-N 2.59Å; I521-Y535 HydrophobicContact CD1-CD1 4.19Å; I521-Y535 HydrophobicContact CD1-CD2 4.27Å; I521-Y535 HydrophobicContact CD1-CE1 3.64Å; I521-Y535 HydrophobicContact CD1-CE2 3.72Å; I521-Y535 HydrophobicContact CD1-CG 4.5Å; I521-Y535 HydrophobicContact CG1-CD2 4.44Å; I521-Y535 HydrophobicContact CG1-CE1 4.49Å; I521-Y535 HydrophobicContact CG1-CE2 3.71Å; I521-Y535 HydrophobicContact CG2-CD2 4.06Å; I521-Y535 HydrophobicContact CG2-CE2 4.09Å; I529-Y535 CarbonylContact O-C 3.28Å; I529-Y535 WeakPolarHBondContact O-CA 3.48Å; Y535-H547 PolarHBondContact OH-CE1 2.76Å |
| 536 | K | 91.6 | Very high | 88.8 | Confident | 135 Ų | 135 | 80.2 Ų | 80.2 | 59% | 0.587 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 132.3 | 170.5 | -179.6 | 172 | -177.9 | 174.3 | 0 | 111.2 | I529 L531 | I529-K536 WeakPolarHBondContact CB-O 3.41Å; I529-K536 PolarHBondContact N-O 2.89Å; I529-K536 PolarHBondContact O-N 3.27Å; L531-K536 HydrophobicContact CD1-CB 3.86Å |
| 537 | C | 92.7 | Very high | 88.8 | Confident | 16 Ų | 16 | 82.8 Ų | 82.8 | 11% | 0.108 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 128.6 | 168.1 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | C522 I546 | C522-C537 WeakPolarHBondContact CA-SG 3.1Å; C522-C537 HydrophobicContact CB-CB 3.61Å; C522-C537 WeakPolarHBondContact CB-SG 3.1Å; C522-C537 WeakPolarHBondContact SG-CA 2.98Å; C522-C537 WeakPolarHBondContact SG-CB 3.3Å; C522-C537 CovalentContact SG-SG 2.03Å; C522-C537 PolarHBondContact SG-SG 3.48Å; C537-I546 PolarHBondContact SG-O 2.8Å; C537-I546 VanDerWaalsContact SG-O 3.34Å |
| 538 | K | 91.9 | Very high | 88.6 | Confident | 138 Ų | 138 | 74.1 Ų | 74.1 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 99.2 | 165.8 | -178.7 | -177.6 | 176.2 | -178.4 | 0 | 108.2 | G526 R527 I529 | G526-K538 CarbonylContact C-O 3.6Å; G526-K538 VanDerWaalsContact CA-O 3.32Å; G526-K538 WeakPolarHBondContact CA-O 3.31Å; R527-K538 PolarHBondContact N-O 2.77Å; R527-K538 PolarHBondContact O-N 2.86Å; I529-K538 HydrophobicContact CD1-CB 4.08Å |
| 539 | C | 90.2 | Very high | 88.3 | Confident | 37 Ų | 37 | 77.7 Ų | 77.7 | 25% | 0.25 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 153.2 | 179.1 | -49.9 | 0 | 0 | 0 | 0 | 112.3 | H525 Y543 C548 | H525-C539 CarbonylContact O-C 3.53Å; H525-C539 WeakPolarHBondContact O-CA 3.28Å; C539-Y543 WeakPolarHBondContact CB-O 3.5Å; C539-C548 WeakPolarHBondContact CA-SG 3.39Å; C539-C548 HydrophobicContact CB-CB 3.7Å; C539-C548 WeakPolarHBondContact CB-SG 3.26Å; C539-C548 PolarHBondContact N-SG 3.4Å; C539-C548 VanDerWaalsContact N-SG 3.41Å; C539-C548 WeakPolarHBondContact SG-CA 3.48Å; C539-C548 WeakPolarHBondContact SG-CB 3.04Å; C539-C548 CovalentContact SG-SG 2.04Å; C539-C548 PolarHBondContact SG-SG 2.74Å |
| 540 | F | 89.8 | Confident | 87.7 | Confident | 112 Ų | 112 | 77.4 Ų | 77.4 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 165.5 | 169.3 | -54.5 | -27.5 | 0 | 0 | 0 | 110.4 | L524 H525 G542 Y543 | L524-F540 WeakPolarHBondContact O-CE2 3.34Å; H525-F540 VanDerWaalsContact C-CD2 3.49Å; H525-F540 HydrophobicContact CB-CD2 4.35Å; H525-F540 WeakPolarHBondContact O-CG 3.39Å; H525-F540 PolarHBondContact O-N 3.28Å; F540-G542 PolarHBondContact O-N 2.88Å; F540-Y543 PolarHBondContact O-N 2.79Å; F540-Y543 VanDerWaalsContact O-N 3.15Å |
| 541 | E | 84.7 | Confident | 86.6 | Confident | 199 Ų | 199 | 77.6 Ų | 77.6 | 93% | 0.93 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 134.5 | -179.2 | -168.1 | 164.8 | -167.1 | 0 | 0 | 110.8 | ||
| 542 | G | 78.6 | Confident | 85.2 | Confident | 43 Ų | 43 | 76 Ų | 76 | 44% | 0.443 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 4.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F540 A552 | F540-G542 PolarHBondContact O-N 2.88Å; G542-A552 VanDerWaalsContact O-CB 3.26Å; G542-A552 WeakPolarHBondContact O-CB 3.19Å; G542-A552 PolarHBondContact O-N 3.26Å |
| 543 | Y | 85.8 | Confident | 83.3 | Confident | 79 Ų | 79 | 75.8 Ų | 75.8 | 31% | 0.31 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.7 | 178 | -67.8 | -86.8 | 0 | 0 | 0 | 114 | H525 C539 F540 T550 A551 | H525-Y543 HydrophobicContact CB-CD1 3.78Å; H525-Y543 HydrophobicContact CB-CD2 3.66Å; H525-Y543 HydrophobicContact CB-CE1 4.12Å; H525-Y543 HydrophobicContact CB-CE2 3.99Å; H525-Y543 HydrophobicContact CB-CG 3.53Å; H525-Y543 AromaticContact CD2-CE2 3.93Å; H525-Y543 AromaticContact CD2-CZ 3.72Å; H525-Y543 AromaticContact CE1-CE1 3.58Å; H525-Y543 AromaticContact CE1-CZ 3.76Å; H525-Y543 AromaticContact CG-CD1 3.73Å; H525-Y543 AromaticContact CG-CD2 3.97Å; H525-Y543 AromaticContact CG-CE1 3.56Å; H525-Y543 AromaticContact CG-CE2 3.8Å; H525-Y543 AromaticContact CG-CG 3.93Å; H525-Y543 AromaticContact CG-CZ 3.59Å; H525-Y543 AromaticContact ND1-CD1 3.51Å; H525-Y543 AromaticContact ND1-CE1 3.21Å; H525-Y543 WeakPolarHBondContact ND1-CE1 3.31Å; H525-Y543 AromaticContact ND1-CZ 3.64Å; H525-Y543 AromaticContact NE2-CZ 3.85Å; C539-Y543 WeakPolarHBondContact CB-O 3.5Å; F540-Y543 PolarHBondContact O-N 2.79Å; F540-Y543 VanDerWaalsContact O-N 3.15Å; Y543-T550 CarbonylContact C-O 3.46Å; Y543-T550 WeakPolarHBondContact CA-O 3.14Å; Y543-A551 HydrophobicContact CE1-CB 4.25Å |
| 544 | T | 81.2 | Confident | 81.5 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 40% | 0.399 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | -173 | 178.9 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | C548 D549 T550 A552 | T544-C548 CarbonylContact O-C 3.55Å; T544-C548 VanDerWaalsContact O-CA 3.3Å; T544-C548 WeakPolarHBondContact O-CA 3.03Å; T544-D549 PolarHBondContact O-N 3.18Å; T544-T550 PolarHBondContact N-O 3.25Å; T544-T550 WeakPolarHBondContact O-CB 3.34Å; T544-T550 PolarHBondContact O-N 2.03Å; T544-A552 HydrophobicContact CG2-CB 4.15Å |
| 545 | G | 82.6 | Confident | 79.7 | Confident | 39 Ų | 39 | 81.4 Ų | 81.4 | 40% | 0.402 | 45% | 0.447 | S | S | . | . | S | Bend | trans | 91.7 | 161.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H547 C548 | G545-H547 PolarHBondContact O-N 3.39Å; G545-C548 PolarHBondContact O-N 3.17Å |
| 546 | I | 87.4 | Confident | 78.1 | Confident | 133 Ų | 133 | 82.9 Ų | 82.9 | 68% | 0.682 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -24.3 | -179.4 | 52.1 | 164.7 | 0 | 0 | 0 | 112.6 | C537 | C537-I546 PolarHBondContact SG-O 2.8Å; C537-I546 VanDerWaalsContact SG-O 3.34Å |
| 547 | H | 88.8 | Confident | 76.9 | Confident | 66 Ų | 66 | 78.1 Ų | 78.1 | 31% | 0.306 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 14.8 | 178.7 | -62.1 | -67.4 | 0 | 0 | 0 | 112.4 | I521 C522 G523 Y535 G545 D549 | I521-H547 PolarHBondContact O-ND1 3.44Å; C522-H547 CarbonylContact C-O 3.57Å; G523-H547 PolarHBondContact N-O 3.46Å; Y535-H547 PolarHBondContact OH-CE1 2.76Å; G545-H547 PolarHBondContact O-N 3.39Å; H547-D549 HydrophobicContact CB-CB 4.29Å; H547-D549 PolarHBondContact N-OD1 2.04Å; H547-D549 PolarHBondContact O-N 2.87Å |
| 548 | C | 88 | Confident | 75.5 | Confident | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 46% | 0.46 | C | S | . | . | S | Bend | trans | 54 | 31.3 | -175.6 | -51.5 | 0 | 0 | 0 | 0 | 113.7 | H525 C539 T544 G545 | H525-C548 HydrophobicContact CB-CB 4.4Å; H525-C548 WeakPolarHBondContact O-CB 3.21Å; C539-C548 WeakPolarHBondContact CA-SG 3.39Å; C539-C548 HydrophobicContact CB-CB 3.7Å; C539-C548 WeakPolarHBondContact CB-SG 3.26Å; C539-C548 PolarHBondContact N-SG 3.4Å; C539-C548 VanDerWaalsContact N-SG 3.41Å; C539-C548 WeakPolarHBondContact SG-CA 3.48Å; C539-C548 WeakPolarHBondContact SG-CB 3.04Å; C539-C548 CovalentContact SG-SG 2.04Å; C539-C548 PolarHBondContact SG-SG 2.74Å; T544-C548 CarbonylContact O-C 3.55Å; T544-C548 VanDerWaalsContact O-CA 3.3Å; T544-C548 WeakPolarHBondContact O-CA 3.03Å; G545-C548 PolarHBondContact O-N 3.17Å |
| 549 | D | 85.9 | Confident | 74 | Confident | 103 Ų | 103 | 81 Ų | 81 | 55% | 0.551 | 46% | 0.459 | S | S | * | . | trans | -91.2 | -19.8 | -173.3 | 54 | -50.3 | 0 | 0 | 0 | 112.8 | T544 H547 | T544-D549 PolarHBondContact O-N 3.18Å; H547-D549 HydrophobicContact CB-CB 4.29Å; H547-D549 PolarHBondContact N-OD1 2.04Å; H547-D549 PolarHBondContact O-N 2.87Å | ||
| 550 | T | 79.9 | Confident | 72.7 | Confident | 65 Ų | 65 | 88.6 Ų | 88.6 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.6 | 179.9 | -54.9 | 0 | 0 | 0 | 0 | 110.4 | Y543 T544 | Y543-T550 CarbonylContact C-O 3.46Å; Y543-T550 WeakPolarHBondContact CA-O 3.14Å; T544-T550 PolarHBondContact N-O 3.25Å; T544-T550 WeakPolarHBondContact O-CB 3.34Å; T544-T550 PolarHBondContact O-N 2.03Å |
| 551 | A | 69.7 | Low | 71.9 | Confident | 49 Ų | 49 | 85.4 Ų | 85.4 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 136.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y543 T553 | Y543-A551 HydrophobicContact CE1-CB 4.25Å; A551-T553 PolarHBondContact O-N 2.88Å |
| 552 | A | 60.3 | Low | 71.5 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | trans | -78.2 | 55.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113.8 | G542 T544 M554 | G542-A552 VanDerWaalsContact O-CB 3.26Å; G542-A552 WeakPolarHBondContact O-CB 3.19Å; G542-A552 PolarHBondContact O-N 3.26Å; T544-A552 HydrophobicContact CG2-CB 4.15Å; A552-M554 PolarHBondContact O-N 2.86Å | ||
| 553 | T | 49.5 | Very low | 71.3 | Confident | 132 Ų | 132 | 75.1 Ų | 75.1 | 81% | 0.81 | 42% | 0.424 | S | S | * | . | trans | -90.2 | 63.7 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | A551 | A551-T553 PolarHBondContact O-N 2.88Š| ||
| 554 | M | 50.2 | Low | 70.8 | Confident | 135 Ų | 135 | 78 Ų | 78 | 67% | 0.665 | 45% | 0.452 | S | S | * | . | trans | -128.7 | 146.2 | 175.1 | -71.2 | 179.1 | 68.2 | 0 | 0 | 110.9 | A552 D558 | A552-M554 PolarHBondContact O-N 2.86Å; M554-D558 HydrophobicContact CE-CB 3.59Å | ||
| 555 | S | 53.3 | Low | 70.4 | Confident | 58 Ų | 58 | 79.8 Ų | 79.8 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | trans | -79.9 | 158.5 | 179.5 | 83.3 | 0 | 0 | 0 | 0 | 111.4 | C557 D558 | S555-C557 PolarHBondContact O-N 3.07Å; S555-C557 PolarHBondContact OG-N 3.36Å; S555-D558 WeakPolarHBondContact CA-OD2 3.4Å; S555-D558 WeakPolarHBondContact CB-OD2 3.23Å; S555-D558 PolarHBondContact N-OD2 2.82Å; S555-D558 PolarHBondContact O-N 3.35Å; S555-D558 VanDerWaalsContact OG-CG 3.24Å; S555-D558 PolarHBondContact OG-OD2 2.03Å | ||
| 556 | M | 58.1 | Low | 70.2 | Confident | 84 Ų | 84 | 79 Ų | 79 | 41% | 0.414 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 9.1 | -178.1 | -141.9 | 175.9 | -170.7 | 0 | 0 | 114.2 | V570 N574 F575 | M556-V570 HydrophobicContact CB-CG2 4.45Å; M556-N574 VanDerWaalsContact SD-CA 3.52Å; M556-F575 HydrophobicContact CB-CB 4.12Å; M556-F575 HydrophobicContact CE-CD1 3.85Å; M556-F575 HydrophobicContact CE-CE1 4.45Å; M556-F575 HydrophobicContact CG-CB 3.97Å; M556-F575 HydrophobicContact CG-CD1 4.02Å; M556-F575 HydrophobicContact CG-CG 4.48Å; M556-F575 HydrophobicContact SD-CB 4.05Å; M556-F575 HydrophobicContact SD-CD1 3.92Å; M556-F575 HydrophobicContact SD-CG 4.49Å; M556-F575 PolarHBondContact SD-N 2.05Å |
| 557 | C | 66.2 | Low | 70 | Confident | 36 Ų | 36 | 80.6 Ų | 80.6 | 24% | 0.243 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 1.8 | 175.6 | -69.7 | 0 | 0 | 0 | 0 | 114 | S555 I559 C568 F569 | S555-C557 PolarHBondContact O-N 3.07Å; S555-C557 PolarHBondContact OG-N 3.36Å; C557-I559 PolarHBondContact O-N 3.24Å; C557-C568 WeakPolarHBondContact CA-SG 3.06Å; C557-C568 HydrophobicContact CB-CB 3.68Å; C557-C568 WeakPolarHBondContact CB-SG 3.21Å; C557-C568 VanDerWaalsContact SG-C 3.53Å; C557-C568 WeakPolarHBondContact SG-CB 3.35Å; C557-C568 CovalentContact SG-SG 2.04Å; C557-C568 PolarHBondContact SG-SG 3.09Å; C557-F569 PolarHBondContact SG-N 2.86Å; C557-F569 VanDerWaalsContact SG-N 3.41Å |
| 558 | D | 63.6 | Low | 69.7 | Low | 97 Ų | 97 | 79.5 Ų | 79.5 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -79.1 | 12 | 175.7 | -61.5 | -54.1 | 0 | 0 | 0 | 113 | M554 S555 | M554-D558 HydrophobicContact CE-CB 3.59Å; S555-D558 WeakPolarHBondContact CA-OD2 3.4Å; S555-D558 WeakPolarHBondContact CB-OD2 3.23Å; S555-D558 PolarHBondContact N-OD2 2.82Å; S555-D558 PolarHBondContact O-N 3.35Å; S555-D558 VanDerWaalsContact OG-CG 3.24Å; S555-D558 PolarHBondContact OG-OD2 2.03Å |
| 559 | I | 61.2 | Low | 69.4 | Low | 116 Ų | 116 | 83 Ų | 83 | 60% | 0.595 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -128.2 | 138.8 | 172.9 | -57.7 | 173.9 | 0 | 0 | 0 | 106.3 | C557 I561 | C557-I559 PolarHBondContact O-N 3.24Å; I559-I561 HydrophobicContact CB-CD1 4.12Å; I559-I561 HydrophobicContact CB-CG1 3.94Å; I559-I561 HydrophobicContact CG2-CD1 4.44Å; I559-I561 HydrophobicContact CG2-CG1 3.84Å; I559-I561 PolarHBondContact O-N 3.22Å |
| 560 | E | 61.2 | Low | 68.6 | Low | 197 Ų | 197 | 81.5 Ų | 81.5 | 92% | 0.921 | 46% | 0.462 | S | S | * | . | trans | -70.7 | 65.7 | 177.3 | -63.2 | -170.5 | 140 | 0 | 0 | 112.2 | ||||
| 561 | I | 73.9 | Confident | 67.8 | Low | 46 Ų | 46 | 84 Ų | 84 | 24% | 0.236 | 47% | 0.469 | C | S | . | . | trans | -77 | -32.7 | -177.2 | -68.6 | 170.8 | 0 | 0 | 0 | 111.3 | I559 F575 L587 | I559-I561 HydrophobicContact CB-CD1 4.12Å; I559-I561 HydrophobicContact CB-CG1 3.94Å; I559-I561 HydrophobicContact CG2-CD1 4.44Å; I559-I561 HydrophobicContact CG2-CG1 3.84Å; I559-I561 PolarHBondContact O-N 3.22Å; I561-F575 HydrophobicContact CD1-CD1 4.46Å; I561-F575 HydrophobicContact CG2-CD1 4.39Å; I561-F575 HydrophobicContact CG2-CD2 3.92Å; I561-F575 HydrophobicContact CG2-CE1 3.97Å; I561-F575 HydrophobicContact CG2-CE2 3.46Å; I561-F575 VanDerWaalsContact CG2-CE2 3.46Å; I561-F575 HydrophobicContact CG2-CG 4.39Å; I561-F575 HydrophobicContact CG2-CZ 3.49Å; I561-F575 VanDerWaalsContact CG2-CZ 3.49Å; I561-L587 HydrophobicContact CG2-CD2 3.73Å | ||
| 562 | C | 77 | Confident | 67.5 | Low | 14 Ų | 14 | 89.7 Ų | 89.7 | 10% | 0.095 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -84 | 131.9 | 170.3 | -47.8 | 0 | 0 | 0 | 0 | 108.9 | G566 C568 C577 L587 | C562-G566 WeakPolarHBondContact CB-O 2.97Å; C562-C568 VanDerWaalsContact SG-CA 3.57Å; C562-C577 VanDerWaalsContact CA-SG 3.52Å; C562-C577 HydrophobicContact CB-CB 3.86Å; C562-C577 WeakPolarHBondContact CB-SG 3.44Å; C562-C577 VanDerWaalsContact SG-CA 3.55Å; C562-C577 WeakPolarHBondContact SG-CB 3.42Å; C562-C577 CovalentContact SG-SG 2.04Å; C562-C577 PolarHBondContact SG-SG 3.28Å; C562-L587 CarbonylContact C-O 3.59Å; C562-L587 WeakPolarHBondContact CA-O 3.43Å |
| 563 | G | 73.3 | Confident | 67.5 | Low | 12 Ų | 12 | 94.7 Ų | 94.7 | 12% | 0.124 | 51% | 0.512 | C | S | . | . | trans | -62.3 | 174.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L565 G566 L587 N589 | G563-L565 PolarHBondContact O-N 2.97Å; G563-G566 PolarHBondContact O-N 3.15Å; G563-L587 PolarHBondContact N-O 3.4Å; G563-N589 VanDerWaalsContact CA-OD1 3.24Å; G563-N589 WeakPolarHBondContact CA-OD1 3.44Å; G563-N589 PolarHBondContact N-OD1 3.14Å | ||
| 564 | P | 75.2 | Confident | 68.2 | Low | 139 Ų | 139 | 91.8 Ų | 91.8 | 90% | 0.903 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 1.9 | -163.5 | 25.7 | -36.7 | 0 | 0 | 0 | 116.4 | ||
| 565 | L | 74.2 | Confident | 69.3 | Low | 102 Ų | 102 | 86.6 Ų | 86.6 | 53% | 0.534 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 26.1 | 176.1 | -66.5 | 176.3 | 0 | 0 | 0 | 112.2 | G563 A580 V583 | G563-L565 PolarHBondContact O-N 2.97Å; L565-A580 HydrophobicContact CB-CB 4.23Å; L565-A580 WeakPolarHBondContact O-CB 3.46Å; L565-A580 PolarHBondContact O-N 3.2Å; L565-V583 HydrophobicContact CB-CG1 4.42Å; L565-V583 HydrophobicContact CB-CG2 3.64Å; L565-V583 HydrophobicContact CD1-CG1 4.02Å; L565-V583 HydrophobicContact CD1-CG2 4.41Å |
| 566 | G | 78 | Confident | 70.6 | Confident | 22 Ų | 22 | 85.9 Ų | 85.9 | 23% | 0.227 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 138.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | C562 G563 L578 | C562-G566 WeakPolarHBondContact CB-O 2.97Å; G563-G566 PolarHBondContact O-N 3.15Å; G566-L578 WeakPolarHBondContact CA-O 3.19Å |
| 567 | K | 81.7 | Confident | 71.8 | Confident | 168 Ų | 168 | 83 Ų | 83 | 73% | 0.73 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.5 | 173.5 | -79.3 | -171.1 | 172.1 | -174.5 | 0 | 111.7 | C577 L578 | K567-C577 CarbonylContact O-C 3.46Å; K567-C577 WeakPolarHBondContact O-CA 3.05Å; K567-L578 PolarHBondContact N-O 3.48Å; K567-L578 PolarHBondContact O-N 2.8Å |
| 568 | C | 82.6 | Confident | 72.7 | Confident | 42 Ų | 42 | 86.8 Ų | 86.8 | 28% | 0.284 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 143.2 | 172.8 | -166 | 0 | 0 | 0 | 0 | 111.6 | C557 C562 S576 | C557-C568 WeakPolarHBondContact CA-SG 3.06Å; C557-C568 HydrophobicContact CB-CB 3.68Å; C557-C568 WeakPolarHBondContact CB-SG 3.21Å; C557-C568 VanDerWaalsContact SG-C 3.53Å; C557-C568 WeakPolarHBondContact SG-CB 3.35Å; C557-C568 CovalentContact SG-SG 2.04Å; C557-C568 PolarHBondContact SG-SG 3.09Å; C562-C568 VanDerWaalsContact SG-CA 3.57Å; C568-S576 CarbonylContact C-O 3.33Å; C568-S576 WeakPolarHBondContact CA-O 3.4Å |
| 569 | F | 82 | Confident | 73.5 | Confident | 74 Ų | 74 | 84.2 Ų | 84.2 | 33% | 0.325 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 152.4 | 166.5 | 64.2 | -77.7 | 0 | 0 | 0 | 110.5 | C557 Q571 S576 L578 | C557-F569 PolarHBondContact SG-N 2.86Å; C557-F569 VanDerWaalsContact SG-N 3.41Å; F569-Q571 HydrophobicContact CD2-CG 4.07Å; F569-Q571 HydrophobicContact CE2-CG 4.03Å; F569-S576 WeakPolarHBondContact CD1-O 3.33Å; F569-S576 VanDerWaalsContact CE1-CB 3.44Å; F569-S576 PolarHBondContact N-O 2.66Å; F569-S576 PolarHBondContact O-N 2.99Å; F569-L578 HydrophobicContact CD1-CB 4.29Å; F569-L578 HydrophobicContact CE1-CB 3.9Å; F569-L578 HydrophobicContact CE1-CD1 4.07Å |
| 570 | V | 69.1 | Low | 74.3 | Confident | 72 Ų | 72 | 80.8 Ų | 80.8 | 44% | 0.436 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134.1 | -178.2 | -177 | 0 | 0 | 0 | 0 | 110.6 | M556 N574 | M556-V570 HydrophobicContact CB-CG2 4.45Å; V570-N574 WeakPolarHBondContact CA-O 3.25Å |
| 571 | Q | 63.5 | Low | 74.8 | Confident | 118 Ų | 118 | 78 Ų | 78 | 55% | 0.551 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 133.3 | 168.2 | -76.2 | -176.1 | -29.1 | 0 | 0 | 109.6 | F569 N573 N574 | F569-Q571 HydrophobicContact CD2-CG 4.07Å; F569-Q571 HydrophobicContact CE2-CG 4.03Å; Q571-N573 PolarHBondContact O-N 2.8Å; Q571-N574 PolarHBondContact N-O 3.33Å; Q571-N574 WeakPolarHBondContact O-CA 3.45Å; Q571-N574 WeakPolarHBondContact O-CB 3.02Å; Q571-N574 PolarHBondContact O-N 2.79Å; Q571-N574 VanDerWaalsContact O-O 3.05Å |
| 572 | N | 63.1 | Low | 74.3 | Confident | 167 Ų | 167 | 77.1 Ų | 77.1 | 89% | 0.893 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 50.1 | 174.5 | -58.3 | -6.8 | 0 | 0 | 0 | 114.1 | N574 | N572-N574 PolarHBondContact O-N 3Š|
| 573 | N | 61.2 | Low | 74 | Confident | 157 Ų | 157 | 77.7 Ų | 77.7 | 84% | 0.84 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 26.5 | -174.5 | -70 | 3.5 | 0 | 0 | 0 | 115.1 | Q571 | Q571-N573 PolarHBondContact O-N 2.8Š|
| 574 | N | 63.8 | Low | 74 | Confident | 72 Ų | 72 | 80 Ų | 80 | 39% | 0.385 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 153.9 | 178.4 | -162.3 | 1 | 0 | 0 | 0 | 110.5 | M556 V570 Q571 N572 R586 | M556-N574 VanDerWaalsContact SD-CA 3.52Å; V570-N574 WeakPolarHBondContact CA-O 3.25Å; Q571-N574 PolarHBondContact N-O 3.33Å; Q571-N574 WeakPolarHBondContact O-CA 3.45Å; Q571-N574 WeakPolarHBondContact O-CB 3.02Å; Q571-N574 PolarHBondContact O-N 2.79Å; Q571-N574 VanDerWaalsContact O-O 3.05Å; N572-N574 PolarHBondContact O-N 3Å; N574-R586 PolarHBondContact OD1-NH2 3.05Å |
| 575 | F | 73.4 | Confident | 73.9 | Confident | 25 Ų | 25 | 75 Ų | 75 | 11% | 0.11 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 146.3 | 175.1 | 80.1 | -96 | 0 | 0 | 0 | 111.4 | M556 I561 L587 | M556-F575 HydrophobicContact CB-CB 4.12Å; M556-F575 HydrophobicContact CE-CD1 3.85Å; M556-F575 HydrophobicContact CE-CE1 4.45Å; M556-F575 HydrophobicContact CG-CB 3.97Å; M556-F575 HydrophobicContact CG-CD1 4.02Å; M556-F575 HydrophobicContact CG-CG 4.48Å; M556-F575 HydrophobicContact SD-CB 4.05Å; M556-F575 HydrophobicContact SD-CD1 3.92Å; M556-F575 HydrophobicContact SD-CG 4.49Å; M556-F575 PolarHBondContact SD-N 2.05Å; I561-F575 HydrophobicContact CD1-CD1 4.46Å; I561-F575 HydrophobicContact CG2-CD1 4.39Å; I561-F575 HydrophobicContact CG2-CD2 3.92Å; I561-F575 HydrophobicContact CG2-CE1 3.97Å; I561-F575 HydrophobicContact CG2-CE2 3.46Å; I561-F575 VanDerWaalsContact CG2-CE2 3.46Å; I561-F575 HydrophobicContact CG2-CG 4.39Å; I561-F575 HydrophobicContact CG2-CZ 3.49Å; I561-F575 VanDerWaalsContact CG2-CZ 3.49Å; F575-L587 HydrophobicContact CE2-CD2 3.84Å; F575-L587 HydrophobicContact CZ-CD2 3.88Å |
| 576 | S | 80.7 | Confident | 74.2 | Confident | 43 Ų | 43 | 78.1 Ų | 78.1 | 30% | 0.301 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140.2 | 170.3 | -73.2 | 0 | 0 | 0 | 0 | 109.8 | C568 F569 | C568-S576 CarbonylContact C-O 3.33Å; C568-S576 WeakPolarHBondContact CA-O 3.4Å; F569-S576 WeakPolarHBondContact CD1-O 3.33Å; F569-S576 VanDerWaalsContact CE1-CB 3.44Å; F569-S576 PolarHBondContact N-O 2.66Å; F569-S576 PolarHBondContact O-N 2.99Å |
| 577 | C | 83.2 | Confident | 74.4 | Confident | 24 Ų | 24 | 80 Ų | 80 | 16% | 0.162 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.5 | 174.7 | -64.7 | 0 | 0 | 0 | 0 | 110.5 | C562 K567 R586 | C562-C577 VanDerWaalsContact CA-SG 3.52Å; C562-C577 HydrophobicContact CB-CB 3.86Å; C562-C577 WeakPolarHBondContact CB-SG 3.44Å; C562-C577 VanDerWaalsContact SG-CA 3.55Å; C562-C577 WeakPolarHBondContact SG-CB 3.42Å; C562-C577 CovalentContact SG-SG 2.04Å; C562-C577 PolarHBondContact SG-SG 3.28Å; K567-C577 CarbonylContact O-C 3.46Å; K567-C577 WeakPolarHBondContact O-CA 3.05Å; C577-R586 WeakPolarHBondContact CB-O 3.46Å; C577-R586 PolarHBondContact SG-O 2.83Å |
| 578 | L | 84.4 | Confident | 74.2 | Confident | 115 Ų | 115 | 72.2 Ų | 72.2 | 60% | 0.602 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 106.4 | 175.7 | -153.5 | 139.9 | 0 | 0 | 0 | 109 | G566 K567 F569 | G566-L578 WeakPolarHBondContact CA-O 3.19Å; K567-L578 PolarHBondContact N-O 3.48Å; K567-L578 PolarHBondContact O-N 2.8Å; F569-L578 HydrophobicContact CD1-CB 4.29Å; F569-L578 HydrophobicContact CE1-CB 3.9Å; F569-L578 HydrophobicContact CE1-CD1 4.07Å |
| 579 | C | 81.6 | Confident | 73.9 | Confident | 44 Ų | 44 | 75.1 Ų | 75.1 | 30% | 0.297 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 142.4 | -170.1 | -53.6 | 0 | 0 | 0 | 0 | 113.2 | V583 C588 | C579-V583 HydrophobicContact CB-CG2 4.15Å; C579-C588 WeakPolarHBondContact CA-SG 3.46Å; C579-C588 HydrophobicContact CB-CB 3.76Å; C579-C588 WeakPolarHBondContact CB-SG 3.44Å; C579-C588 WeakPolarHBondContact SG-CA 3.49Å; C579-C588 WeakPolarHBondContact SG-CB 3.3Å; C579-C588 CovalentContact SG-SG 2.04Å; C579-C588 PolarHBondContact SG-SG 3.26Å |
| 580 | A | 76.8 | Confident | 73 | Confident | 44 Ų | 44 | 78.6 Ų | 78.6 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 163.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L565 G582 V583 | L565-A580 HydrophobicContact CB-CB 4.23Å; L565-A580 WeakPolarHBondContact O-CB 3.46Å; L565-A580 PolarHBondContact O-N 3.2Å; A580-G582 PolarHBondContact O-N 3.09Å; A580-V583 HydrophobicContact CB-CG2 4.4Å; A580-V583 VanDerWaalsContact O-CG2 3.25Å; A580-V583 WeakPolarHBondContact O-CG2 3.26Å; A580-V583 PolarHBondContact O-N 2.91Å |
| 581 | T | 72.1 | Confident | 72.5 | Confident | 138 Ų | 138 | 78.2 Ų | 78.2 | 85% | 0.847 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 116.8 | 177.9 | 28.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 582 | G | 62.7 | Low | 72.2 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 28% | 0.278 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 110.8 | -7.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A580 A591 V592 | A580-G582 PolarHBondContact O-N 3.09Å; G582-A591 WeakPolarHBondContact O-CA 3.42Å; G582-V592 PolarHBondContact O-N 2.57Å |
| 583 | V | 71.5 | Confident | 71.6 | Confident | 26 Ų | 26 | 68.4 Ų | 68.4 | 16% | 0.158 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 155.9 | 173.5 | -75.5 | 0 | 0 | 0 | 0 | 113.4 | L565 C579 A580 C588 K590 | L565-V583 HydrophobicContact CB-CG1 4.42Å; L565-V583 HydrophobicContact CB-CG2 3.64Å; L565-V583 HydrophobicContact CD1-CG1 4.02Å; L565-V583 HydrophobicContact CD1-CG2 4.41Å; C579-V583 HydrophobicContact CB-CG2 4.15Å; A580-V583 HydrophobicContact CB-CG2 4.4Å; A580-V583 VanDerWaalsContact O-CG2 3.25Å; A580-V583 WeakPolarHBondContact O-CG2 3.26Å; A580-V583 PolarHBondContact O-N 2.91Å; V583-C588 WeakPolarHBondContact CB-O 3.43Å; V583-C588 HydrophobicContact CG2-CB 4.23Å; V583-K590 CarbonylContact C-O 3.51Å; V583-K590 VanDerWaalsContact CA-O 3.25Å; V583-K590 WeakPolarHBondContact CA-O 3.41Å |
| 584 | T | 74.3 | Confident | 71.5 | Confident | 62 Ų | 62 | 64.3 Ų | 64.3 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 177.6 | -171.8 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | C588 K590 V592 | T584-C588 CarbonylContact O-C 3.53Å; T584-C588 WeakPolarHBondContact O-CA 3.29Å; T584-K590 HydrophobicContact CG2-CB 3.96Å; T584-K590 PolarHBondContact N-O 2.85Å; T584-K590 PolarHBondContact O-N 2.96Å; T584-K590 VanDerWaalsContact O-N 3.15Å; T584-V592 HydrophobicContact CG2-CG2 3.87Å |
| 585 | G | 72.2 | Confident | 71.6 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 83.6 | 161.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113 | L587 C588 | G585-L587 PolarHBondContact O-N 3.22Å; G585-C588 PolarHBondContact O-N 3.15Å |
| 586 | R | 80.8 | Confident | 71 | Confident | 166 Ų | 166 | 71.8 Ų | 71.8 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -24 | -172.8 | -177.6 | 172.9 | 177.5 | 178.4 | -0 | 115.2 | N574 C577 | N574-R586 PolarHBondContact OD1-NH2 3.05Å; C577-R586 WeakPolarHBondContact CB-O 3.46Å; C577-R586 PolarHBondContact SG-O 2.83Å |
| 587 | L | 81 | Confident | 70 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 33% | 0.325 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 0.5 | -179.7 | -51.8 | -179.3 | 0 | 0 | 0 | 113.2 | I561 C562 G563 F575 G585 N589 | I561-L587 HydrophobicContact CG2-CD2 3.73Å; C562-L587 CarbonylContact C-O 3.59Å; C562-L587 WeakPolarHBondContact CA-O 3.43Å; G563-L587 PolarHBondContact N-O 3.4Å; F575-L587 HydrophobicContact CE2-CD2 3.84Å; F575-L587 HydrophobicContact CZ-CD2 3.88Å; G585-L587 PolarHBondContact O-N 3.22Å; L587-N589 HydrophobicContact CB-CB 4.39Å; L587-N589 PolarHBondContact O-N 3.5Å; L587-N589 PolarHBondContact O-OD1 2.66Å |
| 588 | C | 79 | Confident | 69.1 | Low | 4 Ų | 4 | 81.9 Ų | 81.9 | 3% | 0.027 | 45% | 0.446 | C | S | . | . | S | Bend | trans | 62.3 | 19.6 | -170.1 | -44.6 | 0 | 0 | 0 | 0 | 115.1 | C579 V583 T584 G585 | C579-C588 WeakPolarHBondContact CA-SG 3.46Å; C579-C588 HydrophobicContact CB-CB 3.76Å; C579-C588 WeakPolarHBondContact CB-SG 3.44Å; C579-C588 WeakPolarHBondContact SG-CA 3.49Å; C579-C588 WeakPolarHBondContact SG-CB 3.3Å; C579-C588 CovalentContact SG-SG 2.04Å; C579-C588 PolarHBondContact SG-SG 3.26Å; V583-C588 WeakPolarHBondContact CB-O 3.43Å; V583-C588 HydrophobicContact CG2-CB 4.23Å; T584-C588 CarbonylContact O-C 3.53Å; T584-C588 WeakPolarHBondContact O-CA 3.29Å; G585-C588 PolarHBondContact O-N 3.15Å |
| 589 | N | 75.4 | Confident | 68.5 | Low | 103 Ų | 103 | 79.2 Ų | 79.2 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | trans | -87.4 | -4.7 | -175.3 | -65 | -1.6 | 0 | 0 | 0 | 114.5 | G563 L587 | G563-N589 VanDerWaalsContact CA-OD1 3.24Å; G563-N589 WeakPolarHBondContact CA-OD1 3.44Å; G563-N589 PolarHBondContact N-OD1 3.14Å; L587-N589 HydrophobicContact CB-CB 4.39Å; L587-N589 PolarHBondContact O-N 3.5Å; L587-N589 PolarHBondContact O-OD1 2.66Å | ||
| 590 | K | 64 | Low | 68.3 | Low | 148 Ų | 148 | 79 Ų | 79 | 64% | 0.643 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.8 | 176.6 | -63.7 | -173.3 | 176.4 | -172 | 0 | 109.5 | V583 T584 | V583-K590 CarbonylContact C-O 3.51Å; V583-K590 VanDerWaalsContact CA-O 3.25Å; V583-K590 WeakPolarHBondContact CA-O 3.41Å; T584-K590 HydrophobicContact CG2-CB 3.96Å; T584-K590 PolarHBondContact N-O 2.85Å; T584-K590 PolarHBondContact O-N 2.96Å; T584-K590 VanDerWaalsContact O-N 3.15Å |
| 591 | A | 57.4 | Low | 68.5 | Low | 64 Ų | 64 | 77 Ų | 77 | 53% | 0.529 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 145 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G582 S593 | G582-A591 WeakPolarHBondContact O-CA 3.42Å; A591-S593 VanDerWaalsContact C-N 3.34Å; A591-S593 PolarHBondContact O-N 2.78Å |
| 592 | V | 57.5 | Low | 68.8 | Low | 58 Ų | 58 | 72.3 Ų | 72.3 | 35% | 0.352 | 39% | 0.392 | S | S | . | . | trans | -70 | 94.9 | 171.6 | 174.4 | 0 | 0 | 0 | 0 | 107.8 | G582 T584 N594 H609 | G582-V592 PolarHBondContact O-N 2.57Å; T584-V592 HydrophobicContact CG2-CG2 3.87Å; V592-N594 PolarHBondContact O-N 3.48Å; V592-H609 PolarHBondContact O-CE1 2.97Å | ||
| 593 | S | 51.7 | Low | 69.7 | Low | 21 Ų | 21 | 82.8 Ų | 82.8 | 15% | 0.147 | 42% | 0.424 | C | S | . | . | trans | -93.5 | 86 | -170.4 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | A591 C595 W596 H609 | A591-S593 VanDerWaalsContact C-N 3.34Å; A591-S593 PolarHBondContact O-N 2.78Å; S593-C595 PolarHBondContact O-N 3.37Å; S593-W596 PolarHBondContact O-N 3.36Å; S593-H609 WeakPolarHBondContact CA-NE2 3.34Å | ||
| 594 | N | 58.2 | Low | 70.2 | Confident | 70 Ų | 70 | 83.8 Ų | 83.8 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 3.5 | 179.1 | -71.6 | 0.4 | 0 | 0 | 0 | 114.4 | V592 P600 H609 F614 | V592-N594 PolarHBondContact O-N 3.48Å; N594-P600 WeakPolarHBondContact O-CD 3.1Å; N594-P600 VanDerWaalsContact O-CG 3.3Å; N594-P600 WeakPolarHBondContact O-CG 3.31Å; N594-H609 PolarHBondContact N-NE2 2.59Å; N594-F614 HydrophobicContact CB-CB 4.38Å; N594-F614 HydrophobicContact CB-CD1 3.93Å; N594-F614 HydrophobicContact CB-CG 4.39Å |
| 595 | C | 65.5 | Low | 70.5 | Confident | 28 Ų | 28 | 81.3 Ų | 81.3 | 19% | 0.189 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -4.5 | 172 | -58.1 | 0 | 0 | 0 | 0 | 114.5 | S593 C607 | S593-C595 PolarHBondContact O-N 3.37Å; C595-C607 WeakPolarHBondContact CA-SG 3.4Å; C595-C607 HydrophobicContact CB-CB 3.59Å; C595-C607 WeakPolarHBondContact CB-SG 3.13Å; C595-C607 WeakPolarHBondContact SG-CB 3.28Å; C595-C607 CovalentContact SG-SG 2.04Å; C595-C607 PolarHBondContact SG-SG 2.84Å |
| 596 | W | 60.7 | Low | 71 | Confident | 226 Ų | 226 | 87 Ų | 87 | 86% | 0.856 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -17.6 | -172.3 | -88.9 | -38.3 | 0 | 0 | 0 | 115.6 | S593 | S593-W596 PolarHBondContact O-N 3.36Š|
| 597 | I | 60.4 | Low | 71.2 | Confident | 144 Ų | 144 | 79.9 Ų | 79.9 | 74% | 0.738 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -89.4 | -41 | 174.9 | -62.2 | 174.7 | 0 | 0 | 0 | 110.1 | ||
| 598 | D | 64.3 | Low | 71.2 | Confident | 136 Ų | 136 | 84.7 Ų | 84.7 | 73% | 0.727 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -147.5 | 161.3 | 171.2 | -134.4 | -38.3 | 0 | 0 | 0 | 107.9 | P600 | D598-P600 VanDerWaalsContact O-CD 3.32Å; D598-P600 WeakPolarHBondContact O-CD 3.33Å |
| 599 | N | 70.6 | Confident | 70.7 | Confident | 58 Ų | 58 | 87.9 Ų | 87.9 | 31% | 0.31 | 43% | 0.433 | S | S | . | . | trans | -99 | 103.5 | 174.3 | -176.7 | 6.1 | 0 | 0 | 0 | 110.3 | C601 G602 G605 C607 | N599-C601 PolarHBondContact O-N 3.44Å; N599-C601 VanDerWaalsContact O-N 3.11Å; N599-C601 VanDerWaalsContact OD1-CB 3.31Å; N599-C601 WeakPolarHBondContact OD1-CB 3.02Å; N599-C601 PolarHBondContact OD1-N 3.42Å; N599-C601 VanDerWaalsContact OD1-N 3.07Å; N599-C601 PolarHBondContact OD1-SG 3.45Å; N599-G602 PolarHBondContact ND2-O 3.5Å; N599-G602 PolarHBondContact O-N 2.87Å; N599-G605 PolarHBondContact ND2-O 3.44Å; N599-G605 VanDerWaalsContact ND2-O 3.08Å; N599-C607 WeakPolarHBondContact OD1-CB 3.23Å | ||
| 600 | P | 77.5 | Confident | 70.3 | Confident | 41 Ų | 41 | 86.8 Ų | 86.8 | 27% | 0.266 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -13.9 | -178.5 | 28.7 | -36.8 | 0 | 0 | 0 | 113.2 | N594 D598 G602 F614 L626 | N594-P600 WeakPolarHBondContact O-CD 3.1Å; N594-P600 VanDerWaalsContact O-CG 3.3Å; N594-P600 WeakPolarHBondContact O-CG 3.31Å; D598-P600 VanDerWaalsContact O-CD 3.32Å; D598-P600 WeakPolarHBondContact O-CD 3.33Å; P600-G602 PolarHBondContact O-N 2.79Å; P600-F614 HydrophobicContact CB-CD2 4.26Å; P600-F614 HydrophobicContact CB-CE2 3.66Å; P600-F614 HydrophobicContact CB-CZ 3.86Å; P600-F614 HydrophobicContact CG-CD2 3.55Å; P600-F614 HydrophobicContact CG-CE1 4.48Å; P600-F614 HydrophobicContact CG-CE2 3.48Å; P600-F614 VanDerWaalsContact CG-CE2 3.48Å; P600-F614 HydrophobicContact CG-CG 4.11Å; P600-F614 HydrophobicContact CG-CZ 3.97Å; P600-L626 HydrophobicContact CB-CD2 4.35Å; P600-L626 WeakPolarHBondContact O-CD2 3.32Å |
| 601 | C | 81.4 | Confident | 70.4 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 4.3 | 173.7 | -41.9 | 0 | 0 | 0 | 0 | 112.9 | N599 N604 G605 C607 C616 L626 | N599-C601 PolarHBondContact O-N 3.44Å; N599-C601 VanDerWaalsContact O-N 3.11Å; N599-C601 VanDerWaalsContact OD1-CB 3.31Å; N599-C601 WeakPolarHBondContact OD1-CB 3.02Å; N599-C601 PolarHBondContact OD1-N 3.42Å; N599-C601 VanDerWaalsContact OD1-N 3.07Å; N599-C601 PolarHBondContact OD1-SG 3.45Å; C601-N604 PolarHBondContact O-N 3.31Å; C601-G605 WeakPolarHBondContact CB-O 3.28Å; C601-G605 PolarHBondContact O-N 3.25Å; C601-G605 VanDerWaalsContact O-N 3.17Å; C601-C607 VanDerWaalsContact SG-CA 3.59Å; C601-C607 VanDerWaalsContact SG-CB 3.6Å; C601-C616 WeakPolarHBondContact CA-SG 3.47Å; C601-C616 HydrophobicContact CB-CB 3.7Å; C601-C616 WeakPolarHBondContact CB-SG 3.02Å; C601-C616 WeakPolarHBondContact SG-CA 3.43Å; C601-C616 WeakPolarHBondContact SG-CB 3.47Å; C601-C616 CovalentContact SG-SG 2.03Å; C601-C616 PolarHBondContact SG-SG 2.9Å; C601-L626 CarbonylContact C-O 3.04Å; C601-L626 WeakPolarHBondContact CA-O 3.5Å |
| 602 | G | 78.9 | Confident | 70.4 | Confident | 40 Ų | 40 | 86.5 Ų | 86.5 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -148.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N599 P600 | N599-G602 PolarHBondContact ND2-O 3.5Å; N599-G602 PolarHBondContact O-N 2.87Å; P600-G602 PolarHBondContact O-N 2.79Å |
| 603 | R | 81.3 | Confident | 70.8 | Confident | 247 Ų | 247 | 86.9 Ų | 86.9 | 93% | 0.932 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -3.4 | 170.6 | -53.2 | -173.6 | -162.4 | -156.4 | 4.7 | 112.7 | ||
| 604 | N | 82.6 | Confident | 71.8 | Confident | 48 Ų | 48 | 88.8 Ų | 88.8 | 26% | 0.257 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -101.1 | 1.9 | -168.2 | -57.3 | -15.9 | 0 | 0 | 0 | 112.7 | C601 C618 S619 Y622 C627 | C601-N604 PolarHBondContact O-N 3.31Å; N604-C618 WeakPolarHBondContact O-CA 3.39Å; N604-S619 WeakPolarHBondContact O-CB 3.03Å; N604-S619 PolarHBondContact O-N 2.88Å; N604-S619 PolarHBondContact O-OG 2.73Å; N604-Y622 HydrophobicContact CB-CD1 3.86Å; N604-Y622 HydrophobicContact CB-CD2 4.26Å; N604-Y622 HydrophobicContact CB-CE1 4.29Å; N604-Y622 HydrophobicContact CB-CG 3.84Å; N604-Y622 WeakPolarHBondContact ND2-CD1 3.29Å; N604-Y622 WeakPolarHBondContact ND2-CE1 3.39Å; N604-C627 HydrophobicContact CB-CB 3.68Å; N604-C627 WeakPolarHBondContact CB-O 3.39Å; N604-C627 PolarHBondContact ND2-O 3.31Å; N604-C627 WeakPolarHBondContact O-CB 3.05Å |
| 605 | G | 79.3 | Confident | 73 | Confident | 9 Ų | 9 | 88.4 Ų | 88.4 | 9% | 0.093 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 162.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N599 C601 K617 | N599-G605 PolarHBondContact ND2-O 3.44Å; N599-G605 VanDerWaalsContact ND2-O 3.08Å; C601-G605 WeakPolarHBondContact CB-O 3.28Å; C601-G605 PolarHBondContact O-N 3.25Å; C601-G605 VanDerWaalsContact O-N 3.17Å; G605-K617 CarbonylContact C-O 3.55Å; G605-K617 WeakPolarHBondContact CA-O 3.27Å |
| 606 | F | 84.6 | Confident | 73.8 | Confident | 155 Ų | 155 | 88.1 Ų | 88.1 | 68% | 0.68 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.9 | -179.9 | -165.8 | -86.2 | 0 | 0 | 0 | 110.6 | K617 | F606-K617 PolarHBondContact N-O 3.47Å; F606-K617 PolarHBondContact O-N 2.76Å |
| 607 | C | 83.5 | Confident | 75 | Confident | 15 Ų | 15 | 85.5 Ų | 85.5 | 10% | 0.101 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.5 | -179.7 | -169.3 | 0 | 0 | 0 | 0 | 111.3 | C595 N599 C601 | C595-C607 WeakPolarHBondContact CA-SG 3.4Å; C595-C607 HydrophobicContact CB-CB 3.59Å; C595-C607 WeakPolarHBondContact CB-SG 3.13Å; C595-C607 WeakPolarHBondContact SG-CB 3.28Å; C595-C607 CovalentContact SG-SG 2.04Å; C595-C607 PolarHBondContact SG-SG 2.84Å; N599-C607 WeakPolarHBondContact OD1-CB 3.23Å; C601-C607 VanDerWaalsContact SG-CA 3.59Å; C601-C607 VanDerWaalsContact SG-CB 3.6Å |
| 608 | R | 80.6 | Confident | 76.2 | Confident | 163 Ų | 163 | 80.6 Ų | 80.6 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.9 | 172.9 | -172.9 | -174.9 | 72.2 | 156.7 | 0.9 | 110.1 | F614 T615 | R608-F614 CarbonylContact O-C 3.57Å; R608-F614 WeakPolarHBondContact O-CA 3.38Å; R608-T615 HydrophobicContact CB-CG2 4.04Å; R608-T615 PolarHBondContact N-O 2.74Å; R608-T615 WeakPolarHBondContact O-CG2 3.16Å; R608-T615 PolarHBondContact O-N 3.27Å |
| 609 | H | 70.3 | Confident | 76.9 | Confident | 71 Ų | 71 | 77 Ų | 77 | 33% | 0.329 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 140.9 | 171.4 | -107.6 | -90.1 | 0 | 0 | 0 | 112.3 | V592 S593 N594 G611 | V592-H609 PolarHBondContact O-CE1 2.97Å; S593-H609 WeakPolarHBondContact CA-NE2 3.34Å; N594-H609 PolarHBondContact N-NE2 2.59Å; H609-G611 PolarHBondContact ND1-O 3.48Å |
| 610 | V | 66.1 | Low | 76.8 | Confident | 80 Ų | 80 | 82 Ų | 82 | 49% | 0.485 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 96.9 | 168.1 | 177.9 | 0 | 0 | 0 | 0 | 107.5 | S613 T615 | V610-S613 CarbonylContact C-O 3.54Å; V610-S613 PolarHBondContact N-O 2.95Å; V610-S613 PolarHBondContact O-N 3.21Å; V610-S613 VanDerWaalsContact O-N 3.13Å; V610-T615 HydrophobicContact CG2-CG2 3.68Å |
| 611 | G | 65.9 | Low | 76.5 | Confident | 63 Ų | 63 | 81.8 Ų | 81.8 | 65% | 0.649 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | -137.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H609 S613 | H609-G611 PolarHBondContact ND1-O 3.48Å; G611-S613 PolarHBondContact O-N 2.96Å |
| 612 | N | 57.9 | Low | 76.4 | Confident | 143 Ų | 143 | 84.7 Ų | 84.7 | 77% | 0.765 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 16 | 175.1 | -70.6 | 6.7 | 0 | 0 | 0 | 113.7 | ||
| 613 | S | 64.8 | Low | 76.3 | Confident | 66 Ų | 66 | 84.8 Ų | 84.8 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 170.3 | -177 | -165 | 0 | 0 | 0 | 0 | 111.7 | V610 G611 | V610-S613 CarbonylContact C-O 3.54Å; V610-S613 PolarHBondContact N-O 2.95Å; V610-S613 PolarHBondContact O-N 3.21Å; V610-S613 VanDerWaalsContact O-N 3.13Å; G611-S613 PolarHBondContact O-N 2.96Å |
| 614 | F | 74 | Confident | 76.1 | Confident | 62 Ų | 62 | 74.6 Ų | 74.6 | 27% | 0.272 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 159 | 175 | 69.4 | -83.3 | 0 | 0 | 0 | 111 | N594 P600 R608 L626 | N594-F614 HydrophobicContact CB-CB 4.38Å; N594-F614 HydrophobicContact CB-CD1 3.93Å; N594-F614 HydrophobicContact CB-CG 4.39Å; P600-F614 HydrophobicContact CB-CD2 4.26Å; P600-F614 HydrophobicContact CB-CE2 3.66Å; P600-F614 HydrophobicContact CB-CZ 3.86Å; P600-F614 HydrophobicContact CG-CD2 3.55Å; P600-F614 HydrophobicContact CG-CE1 4.48Å; P600-F614 HydrophobicContact CG-CE2 3.48Å; P600-F614 VanDerWaalsContact CG-CE2 3.48Å; P600-F614 HydrophobicContact CG-CG 4.11Å; P600-F614 HydrophobicContact CG-CZ 3.97Å; R608-F614 CarbonylContact O-C 3.57Å; R608-F614 WeakPolarHBondContact O-CA 3.38Å; F614-L626 HydrophobicContact CE2-CD2 3.94Å; F614-L626 HydrophobicContact CZ-CD2 4.02Å |
| 615 | T | 81.9 | Confident | 76.1 | Confident | 62 Ų | 62 | 81.3 Ų | 81.3 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 135.4 | 172.5 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | R608 V610 | R608-T615 HydrophobicContact CB-CG2 4.04Å; R608-T615 PolarHBondContact N-O 2.74Å; R608-T615 WeakPolarHBondContact O-CG2 3.16Å; R608-T615 PolarHBondContact O-N 3.27Å; V610-T615 HydrophobicContact CG2-CG2 3.68Å |
| 616 | C | 83.3 | Confident | 76.3 | Confident | 22 Ų | 22 | 84.8 Ų | 84.8 | 15% | 0.149 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.5 | -179.2 | -67.7 | 0 | 0 | 0 | 0 | 110.9 | C601 K625 | C601-C616 WeakPolarHBondContact CA-SG 3.47Å; C601-C616 HydrophobicContact CB-CB 3.7Å; C601-C616 WeakPolarHBondContact CB-SG 3.02Å; C601-C616 WeakPolarHBondContact SG-CA 3.43Å; C601-C616 WeakPolarHBondContact SG-CB 3.47Å; C601-C616 CovalentContact SG-SG 2.03Å; C601-C616 PolarHBondContact SG-SG 2.9Å; C616-K625 PolarHBondContact SG-O 3.42Å |
| 617 | K | 86.3 | Confident | 76.2 | Confident | 171 Ų | 171 | 77.4 Ų | 77.4 | 74% | 0.743 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 104.8 | 167.1 | -174.6 | -179.6 | -179.1 | -178 | 0 | 108.5 | G605 F606 | G605-K617 CarbonylContact C-O 3.55Å; G605-K617 WeakPolarHBondContact CA-O 3.27Å; F606-K617 PolarHBondContact N-O 3.47Å; F606-K617 PolarHBondContact O-N 2.76Å |
| 618 | C | 85 | Confident | 76.3 | Confident | 41 Ų | 41 | 81.3 Ų | 81.3 | 28% | 0.277 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 150 | -174.6 | -54.8 | 0 | 0 | 0 | 0 | 113.6 | N604 Y622 C627 | N604-C618 WeakPolarHBondContact O-CA 3.39Å; C618-Y622 WeakPolarHBondContact CB-O 3.02Å; C618-C627 WeakPolarHBondContact CA-SG 3.47Å; C618-C627 HydrophobicContact CB-CB 3.75Å; C618-C627 WeakPolarHBondContact CB-SG 3.16Å; C618-C627 WeakPolarHBondContact SG-CA 3.27Å; C618-C627 WeakPolarHBondContact SG-CB 3.09Å; C618-C627 CovalentContact SG-SG 2.04Å; C618-C627 PolarHBondContact SG-SG 2.9Å |
| 619 | S | 79.9 | Confident | 76.2 | Confident | 61 Ų | 61 | 78.7 Ų | 78.7 | 43% | 0.427 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -73 | 160.3 | 172.1 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | N604 G621 Y622 | N604-S619 WeakPolarHBondContact O-CB 3.03Å; N604-S619 PolarHBondContact O-N 2.88Å; N604-S619 PolarHBondContact O-OG 2.73Å; S619-G621 PolarHBondContact O-N 3.05Å; S619-Y622 PolarHBondContact O-N 3.49Å |
| 620 | Y | 67.8 | Low | 76.1 | Confident | 163 Ų | 163 | 83.5 Ų | 83.5 | 64% | 0.639 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 133.1 | 176.2 | -96.6 | -82.7 | 0 | 0 | 0 | 112.1 | G656 | Y620-G656 WeakPolarHBondContact OH-CA 3.04Š|
| 621 | G | 70.1 | Confident | 75.9 | Confident | 36 Ų | 36 | 82.9 Ų | 82.9 | 37% | 0.371 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 1.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S619 R630 N631 | S619-G621 PolarHBondContact O-N 3.05Å; G621-R630 CarbonylContact O-C 3.58Å; G621-R630 WeakPolarHBondContact O-CA 3.48Å; G621-N631 PolarHBondContact O-N 2.83Å |
| 622 | Y | 79.8 | Confident | 75.4 | Confident | 61 Ų | 61 | 86 Ų | 86 | 24% | 0.239 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 145.4 | -179.8 | -68.8 | -90.2 | 0 | 0 | 0 | 114 | N604 C618 S619 C627 Q629 R630 | N604-Y622 HydrophobicContact CB-CD1 3.86Å; N604-Y622 HydrophobicContact CB-CD2 4.26Å; N604-Y622 HydrophobicContact CB-CE1 4.29Å; N604-Y622 HydrophobicContact CB-CG 3.84Å; N604-Y622 WeakPolarHBondContact ND2-CD1 3.29Å; N604-Y622 WeakPolarHBondContact ND2-CE1 3.39Å; C618-Y622 WeakPolarHBondContact CB-O 3.02Å; S619-Y622 PolarHBondContact O-N 3.49Å; Y622-C627 WeakPolarHBondContact CD1-O 3.06Å; Y622-Q629 CarbonylContact C-O 3.42Å; Y622-Q629 VanDerWaalsContact CA-O 3.26Å; Y622-Q629 WeakPolarHBondContact CA-O 3.17Å; Y622-Q629 WeakPolarHBondContact CD1-O 3.21Å; Y622-R630 HydrophobicContact CE1-CB 4.26Å; Y622-R630 PolarHBondContact OH-NH2 3.47Å; Y622-R630 VanDerWaalsContact OH-NH2 3.08Å |
| 623 | T | 76.4 | Confident | 75.2 | Confident | 42 Ų | 42 | 86 Ų | 86 | 26% | 0.258 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 179.3 | -175.7 | 44.5 | 0 | 0 | 0 | 0 | 110.6 | C627 D628 Q629 N631 | T623-C627 CarbonylContact O-C 3.33Å; T623-C627 VanDerWaalsContact O-CA 3.3Å; T623-C627 WeakPolarHBondContact O-CA 3.28Å; T623-D628 PolarHBondContact O-N 3.5Å; T623-Q629 PolarHBondContact N-O 3.37Å; T623-Q629 WeakPolarHBondContact O-CB 3.43Å; T623-Q629 PolarHBondContact O-N 3.42Å; T623-Q629 WeakPolarHBondContact OG1-CB 3.33Å; T623-Q629 PolarHBondContact OG1-O 3.19Å; T623-N631 VanDerWaalsContact CG2-ND2 3.34Å; T623-N631 WeakPolarHBondContact CG2-ND2 3.1Å; T623-N631 PolarHBondContact OG1-OD1 3.27Å; T623-N631 VanDerWaalsContact OG1-OD1 3.14Å |
| 624 | G | 78.5 | Confident | 74.4 | Confident | 32 Ų | 32 | 88.9 Ų | 88.9 | 33% | 0.33 | 46% | 0.463 | S | S | . | . | S | Bend | trans | 91.4 | 168 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L626 C627 | G624-L626 PolarHBondContact O-N 3.46Å; G624-C627 PolarHBondContact O-N 3.43Å |
| 625 | K | 81.3 | Confident | 73.5 | Confident | 190 Ų | 190 | 89.9 Ų | 89.9 | 83% | 0.826 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -22 | -177.8 | -101.5 | -174.3 | 177.2 | 179.9 | 0 | 113.3 | C616 | C616-K625 PolarHBondContact SG-O 3.42Š|
| 626 | L | 83.8 | Confident | 72.5 | Confident | 82 Ų | 82 | 90.4 Ų | 90.4 | 43% | 0.429 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | 11.9 | -176.6 | -56 | 175.2 | 0 | 0 | 0 | 111.6 | P600 C601 F614 G624 D628 | P600-L626 HydrophobicContact CB-CD2 4.35Å; P600-L626 WeakPolarHBondContact O-CD2 3.32Å; C601-L626 CarbonylContact C-O 3.04Å; C601-L626 WeakPolarHBondContact CA-O 3.5Å; F614-L626 HydrophobicContact CE2-CD2 3.94Å; F614-L626 HydrophobicContact CZ-CD2 4.02Å; G624-L626 PolarHBondContact O-N 3.46Å; L626-D628 HydrophobicContact CB-CB 4.3Å; L626-D628 PolarHBondContact N-OD1 3.31Å; L626-D628 VanDerWaalsContact N-OD1 3.11Å; L626-D628 PolarHBondContact O-N 2.98Å |
| 627 | C | 83.7 | Confident | 71.5 | Confident | 0 Ų | 0 | 92.3 Ų | 92.3 | 0% | 0 | 48% | 0.477 | C | S | . | . | S | Bend | trans | 57 | 33.1 | -173.2 | -48.9 | 0 | 0 | 0 | 0 | 112.8 | N604 C618 Y622 T623 G624 | N604-C627 HydrophobicContact CB-CB 3.68Å; N604-C627 WeakPolarHBondContact CB-O 3.39Å; N604-C627 PolarHBondContact ND2-O 3.31Å; N604-C627 WeakPolarHBondContact O-CB 3.05Å; C618-C627 WeakPolarHBondContact CA-SG 3.47Å; C618-C627 HydrophobicContact CB-CB 3.75Å; C618-C627 WeakPolarHBondContact CB-SG 3.16Å; C618-C627 WeakPolarHBondContact SG-CA 3.27Å; C618-C627 WeakPolarHBondContact SG-CB 3.09Å; C618-C627 CovalentContact SG-SG 2.04Å; C618-C627 PolarHBondContact SG-SG 2.9Å; Y622-C627 WeakPolarHBondContact CD1-O 3.06Å; T623-C627 CarbonylContact O-C 3.33Å; T623-C627 VanDerWaalsContact O-CA 3.3Å; T623-C627 WeakPolarHBondContact O-CA 3.28Å; G624-C627 PolarHBondContact O-N 3.43Å |
| 628 | D | 83.7 | Confident | 70.8 | Confident | 96 Ų | 96 | 85.5 Ų | 85.5 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | trans | -85.3 | -26.2 | -174.5 | 52.5 | -65.4 | 0 | 0 | 0 | 113.1 | T623 L626 | T623-D628 PolarHBondContact O-N 3.5Å; L626-D628 HydrophobicContact CB-CB 4.3Å; L626-D628 PolarHBondContact N-OD1 3.31Å; L626-D628 VanDerWaalsContact N-OD1 3.11Å; L626-D628 PolarHBondContact O-N 2.98Å | ||
| 629 | Q | 79.4 | Confident | 70.1 | Confident | 109 Ų | 109 | 91.7 Ų | 91.7 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136.6 | -178.5 | -57.1 | 179.3 | -19.4 | 0 | 0 | 110 | Y622 T623 | Y622-Q629 CarbonylContact C-O 3.42Å; Y622-Q629 VanDerWaalsContact CA-O 3.26Å; Y622-Q629 WeakPolarHBondContact CA-O 3.17Å; Y622-Q629 WeakPolarHBondContact CD1-O 3.21Å; T623-Q629 PolarHBondContact N-O 3.37Å; T623-Q629 WeakPolarHBondContact O-CB 3.43Å; T623-Q629 PolarHBondContact O-N 3.42Å; T623-Q629 WeakPolarHBondContact OG1-CB 3.33Å; T623-Q629 PolarHBondContact OG1-O 3.19Å |
| 630 | R | 68.6 | Low | 69.4 | Low | 172 Ų | 172 | 93 Ų | 93 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.5 | 172.1 | 172.7 | 177.4 | -86.3 | -150.6 | -4.5 | 109.4 | G621 Y622 V632 | G621-R630 CarbonylContact O-C 3.58Å; G621-R630 WeakPolarHBondContact O-CA 3.48Å; Y622-R630 HydrophobicContact CE1-CB 4.26Å; Y622-R630 PolarHBondContact OH-NH2 3.47Å; Y622-R630 VanDerWaalsContact OH-NH2 3.08Å; R630-V632 HydrophobicContact CG-CG2 4.35Å; R630-V632 PolarHBondContact O-N 3.26Å |
| 631 | N | 60.9 | Low | 69.2 | Low | 67 Ų | 67 | 91 Ų | 91 | 36% | 0.358 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 122.7 | 167.8 | -85.4 | -4.4 | 0 | 0 | 0 | 109.8 | G621 T623 I635 | G621-N631 PolarHBondContact O-N 2.83Å; T623-N631 VanDerWaalsContact CG2-ND2 3.34Å; T623-N631 WeakPolarHBondContact CG2-ND2 3.1Å; T623-N631 PolarHBondContact OG1-OD1 3.27Å; T623-N631 VanDerWaalsContact OG1-OD1 3.14Å; N631-I635 WeakPolarHBondContact ND2-CD1 3.31Å |
| 632 | V | 55.4 | Low | 69.3 | Low | 129 Ų | 129 | 93 Ų | 93 | 78% | 0.782 | 49% | 0.487 | S | S | * | . | trans | -102.9 | 11 | -177 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | R630 | R630-V632 HydrophobicContact CG-CG2 4.35Å; R630-V632 PolarHBondContact O-N 3.26Å | ||
| 633 | L | 54 | Low | 69.3 | Low | 141 Ų | 141 | 91.7 Ų | 91.7 | 74% | 0.738 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -126.1 | 137.9 | -179.2 | -67.7 | 171.8 | 0 | 0 | 0 | 110.6 | I635 | L633-I635 PolarHBondContact O-N 2.88Š|
| 634 | P | 49.3 | Very low | 69.6 | Low | 128 Ų | 128 | 89.7 Ų | 89.7 | 83% | 0.831 | 47% | 0.472 | S | S | * | . | trans | -67.6 | 113.8 | 169.5 | 28.5 | -32 | 0 | 0 | 0 | 108.8 | D636 | P634-D636 PolarHBondContact O-N 3.44Š| ||
| 635 | I | 53.4 | Low | 69.7 | Low | 82 Ų | 82 | 93.2 Ų | 93.2 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | trans | -78.8 | 113.8 | 175.6 | -66.2 | 175.5 | 0 | 0 | 0 | 107.7 | N631 L633 F637 | N631-I635 WeakPolarHBondContact ND2-CD1 3.31Å; L633-I635 PolarHBondContact O-N 2.88Å; I635-F637 VanDerWaalsContact C-N 3.32Å; I635-F637 HydrophobicContact CB-CD2 4.14Å; I635-F637 HydrophobicContact CB-CE2 3.77Å; I635-F637 HydrophobicContact CB-CZ 3.99Å; I635-F637 HydrophobicContact CD1-CZ 4.43Å; I635-F637 HydrophobicContact CG2-CD1 3.87Å; I635-F637 HydrophobicContact CG2-CD2 3.84Å; I635-F637 HydrophobicContact CG2-CE1 3.87Å; I635-F637 HydrophobicContact CG2-CE2 3.81Å; I635-F637 HydrophobicContact CG2-CG 3.86Å; I635-F637 HydrophobicContact CG2-CZ 3.83Å; I635-F637 WeakPolarHBondContact O-CD2 3.28Å; I635-F637 PolarHBondContact O-N 2.86Å; I635-F637 VanDerWaalsContact O-N 3.07Å | ||
| 636 | D | 61.7 | Low | 69.6 | Low | 74 Ų | 74 | 90.7 Ų | 90.7 | 40% | 0.396 | 47% | 0.472 | S | S | . | . | trans | -75.7 | 90 | 163.7 | 179.9 | 5.8 | 0 | 0 | 0 | 108.6 | P634 C638 K639 | P634-D636 PolarHBondContact O-N 3.44Å; D636-C638 PolarHBondContact O-N 3.43Å; D636-C638 VanDerWaalsContact O-N 3.15Å; D636-C638 PolarHBondContact OD1-N 2.99Å; D636-K639 HydrophobicContact CB-CD 4.07Å; D636-K639 HydrophobicContact CB-CG 4.07Å; D636-K639 WeakPolarHBondContact O-CB 3.28Å; D636-K639 PolarHBondContact O-N 3.5Å; D636-K639 VanDerWaalsContact O-N 3.14Å; D636-K639 WeakPolarHBondContact OD2-CE 3.2Å; D636-K639 WeakPolarHBondContact OD2-CG 3.29Å | ||
| 637 | F | 62.2 | Low | 69.6 | Low | 62 Ų | 62 | 87.5 Ų | 87.5 | 27% | 0.272 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -60.9 | -18.9 | -177.6 | -75.1 | -84.6 | 0 | 0 | 0 | 113.5 | I635 G655 Y657 | I635-F637 VanDerWaalsContact C-N 3.32Å; I635-F637 HydrophobicContact CB-CD2 4.14Å; I635-F637 HydrophobicContact CB-CE2 3.77Å; I635-F637 HydrophobicContact CB-CZ 3.99Å; I635-F637 HydrophobicContact CD1-CZ 4.43Å; I635-F637 HydrophobicContact CG2-CD1 3.87Å; I635-F637 HydrophobicContact CG2-CD2 3.84Å; I635-F637 HydrophobicContact CG2-CE1 3.87Å; I635-F637 HydrophobicContact CG2-CE2 3.81Å; I635-F637 HydrophobicContact CG2-CG 3.86Å; I635-F637 HydrophobicContact CG2-CZ 3.83Å; I635-F637 WeakPolarHBondContact O-CD2 3.28Å; I635-F637 PolarHBondContact O-N 2.86Å; I635-F637 VanDerWaalsContact O-N 3.07Å; F637-G655 WeakPolarHBondContact CD2-O 3.42Å; F637-G655 WeakPolarHBondContact CE2-O 3.44Å; F637-Y657 HydrophobicContact CB-CD1 3.67Å; F637-Y657 HydrophobicContact CB-CG 3.99Å; F637-Y657 AromaticContact CD1-CD1 3.87Å; F637-Y657 HydrophobicContact CD1-CD1 3.87Å; F637-Y657 HydrophobicContact CD1-CE1 4.13Å; F637-Y657 AromaticContact CG-CD1 3.8Å; F637-Y657 HydrophobicContact CG-CD1 3.8Å |
| 638 | C | 71.7 | Confident | 69.7 | Low | 27 Ų | 27 | 92.9 Ų | 92.9 | 18% | 0.182 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -91.3 | 5.8 | 178.3 | -63.8 | 0 | 0 | 0 | 0 | 114.2 | D636 D640 C649 K650 | D636-C638 PolarHBondContact O-N 3.43Å; D636-C638 VanDerWaalsContact O-N 3.15Å; D636-C638 PolarHBondContact OD1-N 2.99Å; C638-D640 VanDerWaalsContact C-N 3.25Å; C638-D640 PolarHBondContact O-N 2.85Å; C638-C649 WeakPolarHBondContact CA-SG 3.24Å; C638-C649 HydrophobicContact CB-CB 3.74Å; C638-C649 WeakPolarHBondContact CB-SG 3.21Å; C638-C649 WeakPolarHBondContact SG-CB 3.47Å; C638-C649 CovalentContact SG-SG 2.05Å; C638-C649 PolarHBondContact SG-SG 2.86Å; C638-K650 PolarHBondContact SG-N 3.04Å |
| 639 | K | 69.6 | Low | 69.8 | Low | 171 Ų | 171 | 89.5 Ų | 89.5 | 74% | 0.743 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -66.2 | -27.5 | 166.5 | -79.9 | 179.7 | 178.7 | 176.1 | 0 | 113.4 | D636 | D636-K639 HydrophobicContact CB-CD 4.07Å; D636-K639 HydrophobicContact CB-CG 4.07Å; D636-K639 WeakPolarHBondContact O-CB 3.28Å; D636-K639 PolarHBondContact O-N 3.5Å; D636-K639 VanDerWaalsContact O-N 3.14Å; D636-K639 WeakPolarHBondContact OD2-CE 3.2Å; D636-K639 WeakPolarHBondContact OD2-CG 3.29Å |
| 640 | D | 66.8 | Low | 70 | Confident | 90 Ų | 90 | 89 Ų | 89 | 48% | 0.481 | 47% | 0.467 | S | S | . | . | trans | -96.8 | 99.4 | 171.4 | -166.8 | -21.8 | 0 | 0 | 0 | 109.4 | C638 S642 I643 | C638-D640 VanDerWaalsContact C-N 3.25Å; C638-D640 PolarHBondContact O-N 2.85Å; D640-S642 VanDerWaalsContact CG-OG 3.29Å; D640-S642 PolarHBondContact O-N 3.32Å; D640-S642 VanDerWaalsContact OD1-CB 3.26Å; D640-S642 WeakPolarHBondContact OD1-CB 3.42Å; D640-S642 PolarHBondContact OD1-N 2.83Å; D640-S642 PolarHBondContact OD1-OG 3.07Å; D640-S642 PolarHBondContact OD2-OG 2.92Å; D640-I643 WeakPolarHBondContact O-CB 3.46Å; D640-I643 WeakPolarHBondContact O-CG2 3.03Å; D640-I643 PolarHBondContact O-N 2.69Å | ||
| 641 | T | 63.1 | Low | 70.3 | Confident | 120 Ų | 120 | 84.2 Ų | 84.2 | 74% | 0.736 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -67.7 | -13.6 | 179.8 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | I643 | T641-I643 PolarHBondContact O-N 3.3Š|
| 642 | S | 71.4 | Confident | 70.8 | Confident | 77 Ų | 77 | 83.6 Ų | 83.6 | 54% | 0.538 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -71.3 | -18.7 | 174.8 | 75.5 | 0 | 0 | 0 | 0 | 113 | D640 C644 N645 | D640-S642 VanDerWaalsContact CG-OG 3.29Å; D640-S642 PolarHBondContact O-N 3.32Å; D640-S642 VanDerWaalsContact OD1-CB 3.26Å; D640-S642 WeakPolarHBondContact OD1-CB 3.42Å; D640-S642 PolarHBondContact OD1-N 2.83Å; D640-S642 PolarHBondContact OD1-OG 3.07Å; D640-S642 PolarHBondContact OD2-OG 2.92Å; S642-C644 PolarHBondContact O-N 3.15Å; S642-N645 PolarHBondContact O-N 2.82Å; S642-N645 VanDerWaalsContact O-N 3.09Å |
| 643 | I | 80.6 | Confident | 71.1 | Confident | 35 Ų | 35 | 86.9 Ų | 86.9 | 18% | 0.179 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -61.4 | -22.7 | -173.2 | -147.9 | 168.5 | 0 | 0 | 0 | 113.4 | D640 T641 C649 Y657 N669 | D640-I643 WeakPolarHBondContact O-CB 3.46Å; D640-I643 WeakPolarHBondContact O-CG2 3.03Å; D640-I643 PolarHBondContact O-N 2.69Å; T641-I643 PolarHBondContact O-N 3.3Å; I643-C649 HydrophobicContact CG2-CB 4.28Å; I643-Y657 HydrophobicContact CD1-CD1 4.22Å; I643-Y657 HydrophobicContact CD1-CD2 4.38Å; I643-Y657 HydrophobicContact CD1-CE1 3.7Å; I643-Y657 HydrophobicContact CD1-CE2 3.89Å; I643-Y657 HydrophobicContact CG1-CE1 4.48Å; I643-Y657 HydrophobicContact CG1-CE2 3.88Å; I643-Y657 HydrophobicContact CG2-CD2 4.18Å; I643-Y657 HydrophobicContact CG2-CE2 4.13Å; I643-N669 WeakPolarHBondContact O-CB 3.4Å; I643-N669 VanDerWaalsContact O-CG 3.26Å; I643-N669 PolarHBondContact O-ND2 2.87Å |
| 644 | C | 81.9 | Confident | 71.3 | Confident | 0 Ų | 0 | 88.6 Ų | 88.6 | 0% | 0 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -110 | 13.9 | 179.8 | -65.9 | 0 | 0 | 0 | 0 | 114.6 | S642 K646 G647 C649 C659 N669 C670 | S642-C644 PolarHBondContact O-N 3.15Å; C644-K646 PolarHBondContact O-N 2.04Å; C644-G647 VanDerWaalsContact CB-O 3.29Å; C644-G647 WeakPolarHBondContact CB-O 3.44Å; C644-G647 PolarHBondContact O-N 3.47Å; C644-C649 WeakPolarHBondContact SG-CA 3.41Å; C644-C649 WeakPolarHBondContact SG-CB 3.02Å; C644-C659 WeakPolarHBondContact CA-SG 3.05Å; C644-C659 HydrophobicContact CB-CB 3.65Å; C644-C659 WeakPolarHBondContact CB-SG 3.4Å; C644-C659 VanDerWaalsContact SG-CA 3.55Å; C644-C659 WeakPolarHBondContact SG-CB 3.39Å; C644-C659 CovalentContact SG-SG 2.03Å; C644-C659 PolarHBondContact SG-SG 2.95Å; C644-N669 CarbonylContact C-O 3.51Å; C644-N669 WeakPolarHBondContact CA-O 3.46Å; C644-N669 VanDerWaalsContact O-O 3.08Å; C644-C670 WeakPolarHBondContact O-CB 3.48Å |
| 645 | N | 82.2 | Confident | 71.9 | Confident | 105 Ų | 105 | 84.4 Ų | 84.4 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | -82.7 | -177.9 | -70.7 | -75.1 | 0 | 0 | 0 | 115.1 | S642 N669 | S642-N645 PolarHBondContact O-N 2.82Å; S642-N645 VanDerWaalsContact O-N 3.09Å; N645-N669 WeakPolarHBondContact CB-O 3.47Å; N645-N669 PolarHBondContact N-O 2.93Å; N645-N669 PolarHBondContact ND2-O 3.39Å |
| 646 | K | 78.7 | Confident | 72.5 | Confident | 137 Ų | 137 | 80.6 Ų | 80.6 | 60% | 0.596 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | -1.7 | 179.4 | -62.2 | -176.8 | -176.9 | -179.9 | 0 | 113.7 | C644 P662 Y665 | C644-K646 PolarHBondContact O-N 2.04Å; K646-P662 HydrophobicContact CB-CG 4.1Å; K646-P662 WeakPolarHBondContact O-CD 3.33Å; K646-Y665 HydrophobicContact CD-CD1 4.4Å; K646-Y665 HydrophobicContact CD-CE1 3.8Å; K646-Y665 HydrophobicContact CD-CE2 4.21Å; K646-Y665 PolarHBondContact NZ-OH 3.39Å |
| 647 | G | 82.4 | Confident | 73.5 | Confident | 16 Ų | 16 | 80 Ų | 80 | 17% | 0.165 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -98.9 | 171 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | C644 L660 | C644-G647 VanDerWaalsContact CB-O 3.29Å; C644-G647 WeakPolarHBondContact CB-O 3.44Å; C644-G647 PolarHBondContact O-N 3.47Å; G647-L660 CarbonylContact C-O 3.58Å; G647-L660 WeakPolarHBondContact CA-O 3.46Å |
| 648 | I | 86.5 | Confident | 74.5 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 57% | 0.574 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.1 | -178.4 | -54.4 | 170.8 | 0 | 0 | 0 | 109.3 | L660 | I648-L660 HydrophobicContact CB-CB 4.27Å; I648-L660 PolarHBondContact N-O 3.07Å; I648-L660 PolarHBondContact O-N 2.98Å |
| 649 | C | 85.5 | Confident | 75.2 | Confident | 26 Ų | 26 | 81.9 Ų | 81.9 | 18% | 0.176 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 137.6 | 172.6 | -168.6 | 0 | 0 | 0 | 0 | 111.3 | C638 I643 C644 | C638-C649 WeakPolarHBondContact CA-SG 3.24Å; C638-C649 HydrophobicContact CB-CB 3.74Å; C638-C649 WeakPolarHBondContact CB-SG 3.21Å; C638-C649 WeakPolarHBondContact SG-CB 3.47Å; C638-C649 CovalentContact SG-SG 2.05Å; C638-C649 PolarHBondContact SG-SG 2.86Å; I643-C649 HydrophobicContact CG2-CB 4.28Å; C644-C649 WeakPolarHBondContact SG-CA 3.41Å; C644-C649 WeakPolarHBondContact SG-CB 3.02Å |
| 650 | K | 83.3 | Confident | 75.9 | Confident | 98 Ų | 98 | 77.5 Ų | 77.5 | 43% | 0.426 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 137 | 167 | -70.4 | -163.4 | 174.3 | -172.1 | 0 | 111.1 | C638 Y657 Y658 L660 | C638-K650 PolarHBondContact SG-N 3.04Å; K650-Y657 CarbonylContact O-C 3.59Å; K650-Y657 VanDerWaalsContact O-CA 3.28Å; K650-Y657 WeakPolarHBondContact O-CA 3.37Å; K650-Y658 HydrophobicContact CB-CD1 4.2Å; K650-Y658 HydrophobicContact CB-CD2 4.27Å; K650-Y658 HydrophobicContact CB-CE1 3.64Å; K650-Y658 HydrophobicContact CB-CE2 3.73Å; K650-Y658 HydrophobicContact CB-CG 4.49Å; K650-Y658 HydrophobicContact CD-CE2 4.11Å; K650-Y658 WeakPolarHBondContact CD-OH 3.15Å; K650-Y658 HydrophobicContact CG-CE2 4.34Å; K650-Y658 PolarHBondContact N-O 3.19Å; K650-Y658 VanDerWaalsContact O-CD1 3.28Å; K650-Y658 WeakPolarHBondContact O-CD1 3.1Å; K650-Y658 PolarHBondContact O-N 3.18Å; K650-L660 HydrophobicContact CD-CD1 3.91Å; K650-L660 HydrophobicContact CG-CD1 4.39Å |
| 651 | S | 75.7 | Confident | 76.7 | Confident | 71 Ų | 71 | 75.3 Ų | 75.3 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 144.6 | 173.3 | -28.6 | 0 | 0 | 0 | 0 | 110.5 | G656 | S651-G656 WeakPolarHBondContact CA-O 3.08Å |
| 652 | D | 71.6 | Confident | 77.6 | Confident | 54 Ų | 54 | 72 Ų | 72 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | trans | -95.1 | 171.4 | 171.4 | 77.8 | 35.4 | 0 | 0 | 0 | 113 | Q654 G655 G656 Y658 | D652-Q654 PolarHBondContact O-N 2.88Å; D652-Q654 VanDerWaalsContact OD1-C 3.31Å; D652-Q654 VanDerWaalsContact OD1-CA 3.29Å; D652-Q654 WeakPolarHBondContact OD1-CA 3.45Å; D652-Q654 WeakPolarHBondContact OD1-CB 3.03Å; D652-Q654 PolarHBondContact OD1-N 3.33Å; D652-G655 PolarHBondContact OD1-N 3.15Å; D652-G656 VanDerWaalsContact CG-N 3.32Å; D652-G656 PolarHBondContact N-O 3.1Å; D652-G656 PolarHBondContact OD1-N 3.03Å; D652-G656 VanDerWaalsContact OD2-CA 3.23Å; D652-G656 WeakPolarHBondContact OD2-CA 3.43Å; D652-G656 PolarHBondContact OD2-N 3.39Å; D652-Y658 HydrophobicContact CB-CD1 4.3Å; D652-Y658 HydrophobicContact CB-CE1 4.49Å | ||
| 653 | Q | 61.6 | Low | 77.6 | Confident | 198 Ų | 198 | 75.6 Ų | 75.6 | 93% | 0.925 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -6.8 | -177.7 | -67.6 | -84.7 | -58.1 | 0 | 0 | 114 | ||
| 654 | Q | 58.4 | Low | 76.9 | Confident | 177 Ų | 177 | 75.5 Ų | 75.5 | 83% | 0.827 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | 2.9 | -176.3 | -71.2 | 141.6 | 36.2 | 0 | 0 | 112.3 | D652 | D652-Q654 PolarHBondContact O-N 2.88Å; D652-Q654 VanDerWaalsContact OD1-C 3.31Å; D652-Q654 VanDerWaalsContact OD1-CA 3.29Å; D652-Q654 WeakPolarHBondContact OD1-CA 3.45Å; D652-Q654 WeakPolarHBondContact OD1-CB 3.03Å; D652-Q654 PolarHBondContact OD1-N 3.33Å |
| 655 | G | 61.4 | Low | 76.7 | Confident | 40 Ų | 40 | 79.3 Ų | 79.3 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 92.9 | 16.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F637 D652 | F637-G655 WeakPolarHBondContact CD2-O 3.42Å; F637-G655 WeakPolarHBondContact CE2-O 3.44Å; D652-G655 PolarHBondContact OD1-N 3.15Å |
| 656 | G | 67.2 | Low | 76.3 | Confident | 2 Ų | 2 | 77.1 Ų | 77.1 | 2% | 0.021 | 41% | 0.413 | C | S | . | . | trans | -98.5 | -164 | 171 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y620 S651 D652 | Y620-G656 WeakPolarHBondContact OH-CA 3.04Å; S651-G656 WeakPolarHBondContact CA-O 3.08Å; D652-G656 VanDerWaalsContact CG-N 3.32Å; D652-G656 PolarHBondContact N-O 3.1Å; D652-G656 PolarHBondContact OD1-N 3.03Å; D652-G656 VanDerWaalsContact OD2-CA 3.23Å; D652-G656 WeakPolarHBondContact OD2-CA 3.43Å; D652-G656 PolarHBondContact OD2-N 3.39Å | ||
| 657 | Y | 81.6 | Confident | 76.1 | Confident | 63 Ų | 63 | 71.9 Ų | 71.9 | 25% | 0.247 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 158.8 | 173.6 | 72.6 | -80.6 | 0 | 0 | 0 | 111.9 | F637 I643 K650 N669 | F637-Y657 HydrophobicContact CB-CD1 3.67Å; F637-Y657 HydrophobicContact CB-CG 3.99Å; F637-Y657 AromaticContact CD1-CD1 3.87Å; F637-Y657 HydrophobicContact CD1-CD1 3.87Å; F637-Y657 HydrophobicContact CD1-CE1 4.13Å; F637-Y657 AromaticContact CG-CD1 3.8Å; F637-Y657 HydrophobicContact CG-CD1 3.8Å; I643-Y657 HydrophobicContact CD1-CD1 4.22Å; I643-Y657 HydrophobicContact CD1-CD2 4.38Å; I643-Y657 HydrophobicContact CD1-CE1 3.7Å; I643-Y657 HydrophobicContact CD1-CE2 3.89Å; I643-Y657 HydrophobicContact CG1-CE1 4.48Å; I643-Y657 HydrophobicContact CG1-CE2 3.88Å; I643-Y657 HydrophobicContact CG2-CD2 4.18Å; I643-Y657 HydrophobicContact CG2-CE2 4.13Å; K650-Y657 CarbonylContact O-C 3.59Å; K650-Y657 VanDerWaalsContact O-CA 3.28Å; K650-Y657 WeakPolarHBondContact O-CA 3.37Å; Y657-N669 PolarHBondContact OH-ND2 3.44Å |
| 658 | Y | 83.7 | Confident | 76 | Confident | 108 Ų | 108 | 76.3 Ų | 76.3 | 42% | 0.424 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 152.6 | 167.8 | 61.7 | -81.7 | 0 | 0 | 0 | 110.4 | K650 D652 L660 | K650-Y658 HydrophobicContact CB-CD1 4.2Å; K650-Y658 HydrophobicContact CB-CD2 4.27Å; K650-Y658 HydrophobicContact CB-CE1 3.64Å; K650-Y658 HydrophobicContact CB-CE2 3.73Å; K650-Y658 HydrophobicContact CB-CG 4.49Å; K650-Y658 HydrophobicContact CD-CE2 4.11Å; K650-Y658 WeakPolarHBondContact CD-OH 3.15Å; K650-Y658 HydrophobicContact CG-CE2 4.34Å; K650-Y658 PolarHBondContact N-O 3.19Å; K650-Y658 VanDerWaalsContact O-CD1 3.28Å; K650-Y658 WeakPolarHBondContact O-CD1 3.1Å; K650-Y658 PolarHBondContact O-N 3.18Å; D652-Y658 HydrophobicContact CB-CD1 4.3Å; D652-Y658 HydrophobicContact CB-CE1 4.49Å; Y658-L660 HydrophobicContact CD2-CD2 4.29Å; Y658-L660 HydrophobicContact CE2-CD2 4.09Å; Y658-L660 HydrophobicContact CE2-CG 4.29Å |
| 659 | C | 86.8 | Confident | 76 | Confident | 20 Ų | 20 | 72.9 Ų | 72.9 | 14% | 0.135 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.8 | -179.5 | -61.1 | 0 | 0 | 0 | 0 | 111 | C644 V668 | C644-C659 WeakPolarHBondContact CA-SG 3.05Å; C644-C659 HydrophobicContact CB-CB 3.65Å; C644-C659 WeakPolarHBondContact CB-SG 3.4Å; C644-C659 VanDerWaalsContact SG-CA 3.55Å; C644-C659 WeakPolarHBondContact SG-CB 3.39Å; C644-C659 CovalentContact SG-SG 2.03Å; C644-C659 PolarHBondContact SG-SG 2.95Å; C659-V668 WeakPolarHBondContact CB-O 3.25Å; C659-V668 PolarHBondContact SG-O 3.16Å; C659-V668 VanDerWaalsContact SG-O 3.4Å |
| 660 | L | 84.3 | Confident | 76 | Confident | 78 Ų | 78 | 71.7 Ų | 71.7 | 41% | 0.408 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 101.1 | 170.3 | -62.6 | 173.7 | 0 | 0 | 0 | 108.8 | G647 I648 K650 Y658 | G647-L660 CarbonylContact C-O 3.58Å; G647-L660 WeakPolarHBondContact CA-O 3.46Å; I648-L660 HydrophobicContact CB-CB 4.27Å; I648-L660 PolarHBondContact N-O 3.07Å; I648-L660 PolarHBondContact O-N 2.98Å; K650-L660 HydrophobicContact CD-CD1 3.91Å; K650-L660 HydrophobicContact CG-CD1 4.39Å; Y658-L660 HydrophobicContact CD2-CD2 4.29Å; Y658-L660 HydrophobicContact CE2-CD2 4.09Å; Y658-L660 HydrophobicContact CE2-CG 4.29Å |
| 661 | C | 83.4 | Confident | 75.9 | Confident | 44 Ų | 44 | 72 Ų | 72 | 30% | 0.297 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -78 | 142.4 | -175.6 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | Y665 C670 | C661-Y665 WeakPolarHBondContact CB-O 3.5Å; C661-C670 WeakPolarHBondContact CA-SG 3.07Å; C661-C670 HydrophobicContact CB-CB 3.78Å; C661-C670 WeakPolarHBondContact CB-SG 3.03Å; C661-C670 WeakPolarHBondContact SG-CA 3.38Å; C661-C670 WeakPolarHBondContact SG-CB 3.39Å; C661-C670 CovalentContact SG-SG 2.04Å; C661-C670 PolarHBondContact SG-SG 3.39Å |
| 662 | P | 80.8 | Confident | 76 | Confident | 51 Ų | 51 | 71.9 Ų | 71.9 | 33% | 0.331 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 160.5 | 172.5 | 30.5 | -34.6 | 0 | 0 | 0 | 111 | K646 G664 Y665 | K646-P662 HydrophobicContact CB-CG 4.1Å; K646-P662 WeakPolarHBondContact O-CD 3.33Å; P662-G664 PolarHBondContact O-N 2.78Å; P662-Y665 HydrophobicContact CG-CD2 3.8Å; P662-Y665 HydrophobicContact CG-CG 4.23Å; P662-Y665 PolarHBondContact O-N 3.5Å |
| 663 | V | 71.5 | Confident | 75.7 | Confident | 153 Ų | 153 | 71.8 Ų | 71.8 | 93% | 0.927 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 131.8 | 173.1 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 664 | G | 66.1 | Low | 75.9 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | 2.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | P662 Y674 | P662-G664 PolarHBondContact O-N 2.78Å; G664-Y674 VanDerWaalsContact C-CB 3.49Å; G664-Y674 PolarHBondContact O-N 2.8Å |
| 665 | Y | 77.5 | Confident | 76.2 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 32% | 0.318 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 149.9 | 179.7 | -65.9 | -96.5 | 0 | 0 | 0 | 113.3 | K646 C661 P662 V672 | K646-Y665 HydrophobicContact CD-CD1 4.4Å; K646-Y665 HydrophobicContact CD-CE1 3.8Å; K646-Y665 HydrophobicContact CD-CE2 4.21Å; K646-Y665 PolarHBondContact NZ-OH 3.39Å; C661-Y665 WeakPolarHBondContact CB-O 3.5Å; P662-Y665 HydrophobicContact CG-CD2 3.8Å; P662-Y665 HydrophobicContact CG-CG 4.23Å; P662-Y665 PolarHBondContact O-N 3.5Å; Y665-V672 CarbonylContact C-O 3.56Å; Y665-V672 WeakPolarHBondContact CA-O 3.42Å |
| 666 | T | 75.3 | Confident | 76.2 | Confident | 58 Ų | 58 | 62 Ų | 62 | 36% | 0.356 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 178.2 | -173.1 | 160 | 0 | 0 | 0 | 0 | 108.9 | C670 E671 V672 Y674 | T666-C670 CarbonylContact O-C 3.37Å; T666-C670 VanDerWaalsContact O-C 3.27Å; T666-C670 VanDerWaalsContact O-CA 3.28Å; T666-C670 WeakPolarHBondContact O-CA 3.46Å; T666-E671 PolarHBondContact O-N 2.85Å; T666-V672 HydrophobicContact CG2-CB 4.02Å; T666-V672 HydrophobicContact CG2-CG1 4.03Å; T666-V672 WeakPolarHBondContact CG2-O 3.42Å; T666-V672 PolarHBondContact N-O 2.69Å; T666-V672 WeakPolarHBondContact O-CA 3.21Å; T666-V672 WeakPolarHBondContact O-CB 3.37Å; T666-V672 PolarHBondContact O-N 3.49Å; T666-V672 VanDerWaalsContact O-O 3.12Å; T666-Y674 HydrophobicContact CG2-CD2 4.08Å; T666-Y674 HydrophobicContact CG2-CG 4.5Å |
| 667 | G | 72.7 | Confident | 76.1 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 97.2 | 168 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N669 E671 | G667-N669 PolarHBondContact O-N 3.12Å; G667-E671 VanDerWaalsContact CA-OE1 3.29Å; G667-E671 WeakPolarHBondContact CA-OE1 3.29Å; G667-E671 WeakPolarHBondContact CA-OE2 3.38Å |
| 668 | V | 81.8 | Confident | 75.1 | Confident | 109 Ų | 109 | 67.8 Ų | 67.8 | 66% | 0.661 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -30 | -175.3 | -173.4 | 0 | 0 | 0 | 0 | 111.1 | C659 E671 | C659-V668 WeakPolarHBondContact CB-O 3.25Å; C659-V668 PolarHBondContact SG-O 3.16Å; C659-V668 VanDerWaalsContact SG-O 3.4Å; V668-E671 PolarHBondContact N-OE1 2.79Å; V668-E671 PolarHBondContact N-OE2 3.38Å |
| 669 | N | 86.3 | Confident | 73.8 | Confident | 39 Ų | 39 | 66 Ų | 66 | 21% | 0.209 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 19.4 | -173.7 | -66.7 | 51.3 | 0 | 0 | 0 | 110.4 | I643 C644 N645 Y657 G667 E671 | I643-N669 WeakPolarHBondContact O-CB 3.4Å; I643-N669 VanDerWaalsContact O-CG 3.26Å; I643-N669 PolarHBondContact O-ND2 2.87Å; C644-N669 CarbonylContact C-O 3.51Å; C644-N669 WeakPolarHBondContact CA-O 3.46Å; C644-N669 VanDerWaalsContact O-O 3.08Å; N645-N669 WeakPolarHBondContact CB-O 3.47Å; N645-N669 PolarHBondContact N-O 2.93Å; N645-N669 PolarHBondContact ND2-O 3.39Å; Y657-N669 PolarHBondContact OH-ND2 3.44Å; G667-N669 PolarHBondContact O-N 3.12Å; N669-E671 VanDerWaalsContact CA-OE2 3.24Å; N669-E671 WeakPolarHBondContact CA-OE2 3.48Å; N669-E671 WeakPolarHBondContact CB-OE2 3.42Å; N669-E671 PolarHBondContact N-OE2 2.95Å; N669-E671 PolarHBondContact O-N 3.3Å |
| 670 | C | 84.5 | Confident | 72.5 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.014 | 42% | 0.417 | C | S | . | . | S | Bend | trans | 56.4 | 30.8 | -175.2 | -46 | 0 | 0 | 0 | 0 | 114.6 | C644 C661 T666 | C644-C670 WeakPolarHBondContact O-CB 3.48Å; C661-C670 WeakPolarHBondContact CA-SG 3.07Å; C661-C670 HydrophobicContact CB-CB 3.78Å; C661-C670 WeakPolarHBondContact CB-SG 3.03Å; C661-C670 WeakPolarHBondContact SG-CA 3.38Å; C661-C670 WeakPolarHBondContact SG-CB 3.39Å; C661-C670 CovalentContact SG-SG 2.04Å; C661-C670 PolarHBondContact SG-SG 3.39Å; T666-C670 CarbonylContact O-C 3.37Å; T666-C670 VanDerWaalsContact O-C 3.27Å; T666-C670 VanDerWaalsContact O-CA 3.28Å; T666-C670 WeakPolarHBondContact O-CA 3.46Å |
| 671 | E | 82.2 | Confident | 71.8 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 49% | 0.486 | 41% | 0.406 | S | S | . | . | trans | -80.5 | -19.3 | -176.3 | 72.4 | -74.8 | -179.4 | 0 | 0 | 114.2 | T666 G667 V668 N669 | T666-E671 PolarHBondContact O-N 2.85Å; G667-E671 VanDerWaalsContact CA-OE1 3.29Å; G667-E671 WeakPolarHBondContact CA-OE1 3.29Å; G667-E671 WeakPolarHBondContact CA-OE2 3.38Å; V668-E671 PolarHBondContact N-OE1 2.79Å; V668-E671 PolarHBondContact N-OE2 3.38Å; N669-E671 VanDerWaalsContact CA-OE2 3.24Å; N669-E671 WeakPolarHBondContact CA-OE2 3.48Å; N669-E671 WeakPolarHBondContact CB-OE2 3.42Å; N669-E671 PolarHBondContact N-OE2 2.95Å; N669-E671 PolarHBondContact O-N 3.3Å | ||
| 672 | V | 76.4 | Confident | 71.2 | Confident | 69 Ų | 69 | 71.1 Ų | 71.1 | 42% | 0.418 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.6 | -176.6 | -172.9 | 0 | 0 | 0 | 0 | 109.7 | Y665 T666 | Y665-V672 CarbonylContact C-O 3.56Å; Y665-V672 WeakPolarHBondContact CA-O 3.42Å; T666-V672 HydrophobicContact CG2-CB 4.02Å; T666-V672 HydrophobicContact CG2-CG1 4.03Å; T666-V672 WeakPolarHBondContact CG2-O 3.42Å; T666-V672 PolarHBondContact N-O 2.69Å; T666-V672 WeakPolarHBondContact O-CA 3.21Å; T666-V672 WeakPolarHBondContact O-CB 3.37Å; T666-V672 PolarHBondContact O-N 3.49Å; T666-V672 VanDerWaalsContact O-O 3.12Å |
| 673 | A | 67.3 | Low | 70.7 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 130.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | K675 | A673-K675 PolarHBondContact O-N 2.89Å |
| 674 | Y | 65.7 | Low | 70.9 | Confident | 92 Ų | 92 | 70.8 Ų | 70.8 | 36% | 0.361 | 39% | 0.388 | S | S | . | . | trans | -68.4 | 104.3 | 177.7 | -178 | -101.2 | 0 | 0 | 0 | 109.9 | G664 T666 P676 | G664-Y674 VanDerWaalsContact C-CB 3.49Å; G664-Y674 PolarHBondContact O-N 2.8Å; T666-Y674 HydrophobicContact CG2-CD2 4.08Å; T666-Y674 HydrophobicContact CG2-CG 4.5Å; Y674-P676 HydrophobicContact CD1-CG 4.09Å; Y674-P676 HydrophobicContact CE1-CB 4.08Å; Y674-P676 HydrophobicContact CE1-CG 3.75Å | ||
| 675 | K | 63.1 | Low | 71.3 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | trans | -104.7 | 108.5 | 174.1 | -69 | 175.6 | -179 | 178.4 | 0 | 108.5 | A673 C677 E678 | A673-K675 PolarHBondContact O-N 2.89Å; K675-C677 PolarHBondContact O-N 3.45Å; K675-E678 HydrophobicContact CB-CB 3.97Å; K675-E678 HydrophobicContact CD-CB 4.24Å; K675-E678 HydrophobicContact CD-CG 4.2Å; K675-E678 WeakPolarHBondContact CD-OE1 3.48Å; K675-E678 WeakPolarHBondContact CD-OE2 3.4Å; K675-E678 WeakPolarHBondContact CE-OE1 3.47Å; K675-E678 IonicContact NZ-OE1 3.7Å; K675-E678 PolarHBondContact NZ-OE1 2.96Å; K675-E678 IonicContact NZ-OE2 3.78Å; K675-E678 PolarHBondContact NZ-OE2 3.15Å; K675-E678 PolarHBondContact O-N 3.35Å | ||
| 676 | P | 61.5 | Low | 71 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -13.8 | -168.2 | -21.4 | 29.6 | 0 | 0 | 0 | 115.9 | Y674 L681 C688 N701 H702 | Y674-P676 HydrophobicContact CD1-CG 4.09Å; Y674-P676 HydrophobicContact CE1-CB 4.08Å; Y674-P676 HydrophobicContact CE1-CG 3.75Å; P676-L681 WeakPolarHBondContact O-CD1 3.45Å; P676-C688 PolarHBondContact O-SG 2.64Å; P676-N701 WeakPolarHBondContact CB-O 3.35Å; P676-N701 HydrophobicContact CG-CB 4.27Å; P676-N701 VanDerWaalsContact CG-O 3.31Å; P676-N701 WeakPolarHBondContact CG-O 3.44Å; P676-H702 HydrophobicContact CB-CB 3.76Å |
| 677 | C | 65.2 | Low | 71.3 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 28% | 0.284 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.1 | 11.9 | -176.8 | -62.5 | 0 | 0 | 0 | 0 | 114.8 | K675 C688 | K675-C677 PolarHBondContact O-N 3.45Å; C677-C688 WeakPolarHBondContact CA-SG 3.4Å; C677-C688 HydrophobicContact CB-CB 3.57Å; C677-C688 WeakPolarHBondContact CB-SG 3.34Å; C677-C688 WeakPolarHBondContact SG-CB 3.29Å; C677-C688 PolarHBondContact SG-O 3.49Å; C677-C688 CovalentContact SG-SG 2.04Å; C677-C688 PolarHBondContact SG-SG 3.16Å |
| 678 | E | 60.7 | Low | 71.5 | Confident | 146 Ų | 146 | 69.5 Ų | 69.5 | 68% | 0.682 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -91.6 | 2.5 | 172.7 | -108.7 | 175.5 | -134 | 0 | 0 | 113.4 | K675 | K675-E678 HydrophobicContact CB-CB 3.97Å; K675-E678 HydrophobicContact CD-CB 4.24Å; K675-E678 HydrophobicContact CD-CG 4.2Å; K675-E678 WeakPolarHBondContact CD-OE1 3.48Å; K675-E678 WeakPolarHBondContact CD-OE2 3.4Å; K675-E678 WeakPolarHBondContact CE-OE1 3.47Å; K675-E678 IonicContact NZ-OE1 3.7Å; K675-E678 PolarHBondContact NZ-OE1 2.96Å; K675-E678 IonicContact NZ-OE2 3.78Å; K675-E678 PolarHBondContact NZ-OE2 3.15Å; K675-E678 PolarHBondContact O-N 3.35Å |
| 679 | S | 57 | Low | 71.2 | Confident | 70 Ų | 70 | 66.6 Ų | 66.6 | 49% | 0.49 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -116.8 | 151.4 | 167.6 | 58.2 | 0 | 0 | 0 | 0 | 110.1 | L681 | S679-L681 PolarHBondContact O-N 2.85Å; S679-L681 VanDerWaalsContact OG-CD1 3.29Å; S679-L681 WeakPolarHBondContact OG-CD1 3.28Å |
| 680 | Q | 59.9 | Low | 70.2 | Confident | 201 Ų | 201 | 70.9 Ų | 70.9 | 94% | 0.939 | 38% | 0.377 | S | S | * | . | trans | -74 | 66.2 | -177.7 | -64.3 | 176.4 | -66.2 | 0 | 0 | 111.3 | ||||
| 681 | L | 68.9 | Low | 69.1 | Low | 33 Ų | 33 | 73.9 Ų | 73.9 | 17% | 0.173 | 39% | 0.392 | C | S | . | . | trans | -78.2 | -33.2 | 179.2 | -78.2 | 157.5 | 0 | 0 | 0 | 112 | P676 S679 R714 | P676-L681 WeakPolarHBondContact O-CD1 3.45Å; S679-L681 PolarHBondContact O-N 2.85Å; S679-L681 VanDerWaalsContact OG-CD1 3.29Å; S679-L681 WeakPolarHBondContact OG-CD1 3.28Å; L681-R714 VanDerWaalsContact O-CD 3.23Å; L681-R714 WeakPolarHBondContact O-CD 3.27Å; L681-R714 WeakPolarHBondContact O-CG 3.02Å | ||
| 682 | C | 70.6 | Confident | 67.6 | Low | 16 Ų | 16 | 75.2 Ų | 75.2 | 11% | 0.108 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -89.6 | 145.4 | 168.1 | -47.4 | 0 | 0 | 0 | 0 | 110.3 | C688 C704 | C682-C688 VanDerWaalsContact SG-CA 3.59Å; C682-C704 WeakPolarHBondContact CA-SG 3.47Å; C682-C704 HydrophobicContact CB-CB 3.87Å; C682-C704 WeakPolarHBondContact CB-SG 3.38Å; C682-C704 VanDerWaalsContact SG-CA 3.51Å; C682-C704 WeakPolarHBondContact SG-CB 3.32Å; C682-C704 CovalentContact SG-SG 2.03Å; C682-C704 PolarHBondContact SG-SG 3.44Å |
| 683 | S | 70 | Confident | 66.4 | Low | 36 Ų | 36 | 80.9 Ų | 80.9 | 25% | 0.252 | 43% | 0.425 | S | S | . | . | trans | -59.5 | 164.9 | 165.5 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | N685 G686 R714 C715 | S683-N685 PolarHBondContact O-N 2.76Å; S683-N685 PolarHBondContact OG-ND2 2.64Å; S683-G686 PolarHBondContact O-N 2.87Å; S683-R714 WeakPolarHBondContact CB-O 3.42Å; S683-R714 PolarHBondContact N-O 2.03Å; S683-C715 VanDerWaalsContact CB-O 3.31Å; S683-C715 WeakPolarHBondContact CB-O 3.41Å | ||
| 684 | I | 75.7 | Confident | 65.4 | Low | 161 Ų | 161 | 83.9 Ų | 83.9 | 83% | 0.826 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -14.5 | 171.2 | -164.5 | 167.1 | 0 | 0 | 0 | 113.4 | ||
| 685 | N | 74.8 | Confident | 64.1 | Low | 31 Ų | 31 | 85.4 Ų | 85.4 | 17% | 0.166 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 18.3 | 178 | -43.9 | -50 | 0 | 0 | 0 | 114.2 | S683 N707 W710 C715 | S683-N685 PolarHBondContact O-N 2.76Å; S683-N685 PolarHBondContact OG-ND2 2.64Å; N685-N707 WeakPolarHBondContact O-CB 3.35Å; N685-N707 VanDerWaalsContact O-CG 3.32Å; N685-N707 PolarHBondContact O-N 3.41Å; N685-W710 HydrophobicContact CB-CB 4.06Å; N685-W710 HydrophobicContact CB-CD2 3.57Å; N685-W710 HydrophobicContact CB-CE3 4.19Å; N685-W710 HydrophobicContact CB-CG 3.48Å; N685-W710 VanDerWaalsContact CB-CG 3.48Å; N685-W710 VanDerWaalsContact ND2-CD2 3.29Å; N685-W710 VanDerWaalsContact ND2-CE2 3.27Å; N685-W710 VanDerWaalsContact ND2-CE3 3.28Å; N685-W710 VanDerWaalsContact ND2-CH2 3.28Å; N685-W710 WeakPolarHBondContact ND2-CH2 3.14Å; N685-W710 VanDerWaalsContact ND2-CZ2 3.27Å; N685-W710 WeakPolarHBondContact ND2-CZ2 3.31Å; N685-W710 VanDerWaalsContact ND2-CZ3 3.28Å; N685-W710 WeakPolarHBondContact ND2-CZ3 3.34Å; N685-C715 HydrophobicContact CB-CB 4.39Å; N685-C715 PolarHBondContact ND2-O 3.42Å; N685-C715 WeakPolarHBondContact O-CB 3.26Å |
| 686 | G | 72.7 | Confident | 63.1 | Low | 14 Ų | 14 | 87 Ų | 87 | 14% | 0.144 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 156.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | S683 I705 | S683-G686 PolarHBondContact O-N 2.87Å; G686-I705 CarbonylContact C-O 2.96Å; G686-I705 WeakPolarHBondContact CA-O 3.46Å |
| 687 | V | 81.2 | Confident | 62.2 | Low | 92 Ų | 92 | 94.4 Ų | 94.4 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.3 | -178.1 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | C704 I705 | V687-C704 WeakPolarHBondContact O-CA 3.48Å; V687-I705 PolarHBondContact N-O 3.45Å; V687-I705 PolarHBondContact O-N 3.38Å |
| 688 | C | 77.1 | Confident | 61 | Low | 34 Ų | 34 | 96 Ų | 96 | 23% | 0.23 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.6 | 174.8 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | P676 C677 C682 | P676-C688 PolarHBondContact O-SG 2.64Å; C677-C688 WeakPolarHBondContact CA-SG 3.4Å; C677-C688 HydrophobicContact CB-CB 3.57Å; C677-C688 WeakPolarHBondContact CB-SG 3.34Å; C677-C688 WeakPolarHBondContact SG-CB 3.29Å; C677-C688 PolarHBondContact SG-O 3.49Å; C677-C688 CovalentContact SG-SG 2.04Å; C677-C688 PolarHBondContact SG-SG 3.16Å; C682-C688 VanDerWaalsContact SG-CA 3.59Å |
| 689 | D | 74.3 | Confident | 60.6 | Low | 49 Ų | 49 | 95.5 Ų | 95.5 | 26% | 0.262 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.6 | 177.6 | -178.2 | 29.7 | 0 | 0 | 0 | 110.3 | H702 R703 I705 | D689-H702 CarbonylContact O-C 3.56Å; D689-H702 WeakPolarHBondContact O-CA 3.31Å; D689-R703 HydrophobicContact CB-CG 3.95Å; D689-R703 PolarHBondContact N-O 3.4Å; D689-R703 PolarHBondContact O-N 3.22Å; D689-R703 IonicContact OD2-CZ 2.95Å; D689-R703 IonicContact OD2-NE 2.69Å; D689-R703 PolarHBondContact OD2-NE 3.04Å; D689-R703 IonicContact OD2-NH2 2.65Å; D689-R703 PolarHBondContact OD2-NH2 3.09Å; D689-I705 HydrophobicContact CB-CD1 3.75Å; D689-I705 HydrophobicContact CB-CG1 4.11Å |
| 690 | K | 66.4 | Low | 60.3 | Low | 128 Ų | 128 | 96.7 Ų | 96.7 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -94.6 | 136.3 | -176.9 | -63.1 | 175.1 | -171.9 | 167.6 | 0 | 109.5 | ||
| 691 | L | 59.9 | Low | 60.5 | Low | 65 Ų | 65 | 90.1 Ų | 90.1 | 34% | 0.34 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 142.1 | 165.9 | -64.1 | 168.9 | 0 | 0 | 0 | 108.4 | N701 | L691-N701 WeakPolarHBondContact CB-OD1 3.4Å; L691-N701 PolarHBondContact O-OD1 2.84Å |
| 692 | N | 50.8 | Low | 60.4 | Low | 132 Ų | 132 | 89.8 Ų | 89.8 | 71% | 0.706 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 153.9 | 173 | -76.4 | -28.9 | 0 | 0 | 0 | 109.4 | T694 | N692-T694 PolarHBondContact O-N 2.86Š|
| 693 | E | 50.9 | Low | 60.7 | Low | 188 Ų | 188 | 95.3 Ų | 95.3 | 88% | 0.879 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 26.2 | -164.7 | -55.7 | -178 | 128.6 | 0 | 0 | 115.3 | ||
| 694 | T | 47.3 | Very low | 61.1 | Low | 116 Ų | 116 | 94.6 Ų | 94.6 | 71% | 0.712 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -23.5 | 179.1 | 45.9 | 0 | 0 | 0 | 0 | 114.3 | N692 | N692-T694 PolarHBondContact O-N 2.86Š|
| 695 | D | 39.4 | Very low | 61.4 | Low | 124 Ų | 124 | 91.1 Ų | 91.1 | 66% | 0.663 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -124.2 | 104.6 | -164.4 | -65.1 | -81.4 | 0 | 0 | 0 | 113.3 | ||
| 696 | D | 40.6 | Very low | 61.7 | Low | 135 Ų | 135 | 91.6 Ų | 91.6 | 72% | 0.722 | 49% | 0.492 | S | S | * | . | trans | 65.9 | 149.9 | 170.3 | -160.2 | 27.1 | 0 | 0 | 0 | 118.8 | S698 | D696-S698 VanDerWaalsContact C-N 3.33Å; D696-S698 PolarHBondContact O-N 2.77Å; D696-S698 VanDerWaalsContact OD2-CB 3.28Å; D696-S698 WeakPolarHBondContact OD2-CB 3.19Å; D696-S698 PolarHBondContact OD2-OG 2.83Å | ||
| 697 | I | 44.1 | Very low | 62 | Low | 169 Ų | 169 | 94.6 Ų | 94.6 | 87% | 0.867 | 50% | 0.504 | S | S | * | . | trans | -94.4 | 11.7 | -168.6 | -68.4 | 167.3 | 0 | 0 | 0 | 111.3 | V699 | I697-V699 PolarHBondContact O-N 2.82Š| ||
| 698 | S | 39.7 | Very low | 61.3 | Low | 75 Ų | 75 | 94.8 Ų | 94.8 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -98.5 | 67.8 | -159.9 | 57.5 | 0 | 0 | 0 | 0 | 116.3 | D696 N700 | D696-S698 VanDerWaalsContact C-N 3.33Å; D696-S698 PolarHBondContact O-N 2.77Å; D696-S698 VanDerWaalsContact OD2-CB 3.28Å; D696-S698 WeakPolarHBondContact OD2-CB 3.19Å; D696-S698 PolarHBondContact OD2-OG 2.83Å; S698-N700 VanDerWaalsContact C-N 3.28Å; S698-N700 PolarHBondContact O-N 2.85Å |
| 699 | V | 51 | Low | 60.7 | Low | 137 Ų | 137 | 93.8 Ų | 93.8 | 83% | 0.83 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 68.9 | -27.2 | 149.6 | -177.2 | 0 | 0 | 0 | 0 | 119 | I697 | I697-V699 PolarHBondContact O-N 2.82Š|
| 700 | N | 51 | Low | 61 | Low | 95 Ų | 95 | 95.6 Ų | 95.6 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | trans | -126.2 | 95.8 | -177.2 | -74.1 | -72.5 | 0 | 0 | 0 | 112.9 | S698 H702 | S698-N700 VanDerWaalsContact C-N 3.28Å; S698-N700 PolarHBondContact O-N 2.85Å; N700-H702 PolarHBondContact O-N 2.87Å; N700-H702 PolarHBondContact OD1-CE1 2.03Å | ||
| 701 | N | 64.5 | Low | 61.5 | Low | 62 Ų | 62 | 92.7 Ų | 92.7 | 33% | 0.332 | 51% | 0.508 | S | S | . | . | trans | -80.9 | 41.9 | -179.1 | -157.4 | 8.3 | 0 | 0 | 0 | 113.9 | P676 L691 | P676-N701 WeakPolarHBondContact CB-O 3.35Å; P676-N701 HydrophobicContact CG-CB 4.27Å; P676-N701 VanDerWaalsContact CG-O 3.31Å; P676-N701 WeakPolarHBondContact CG-O 3.44Å; L691-N701 WeakPolarHBondContact CB-OD1 3.4Å; L691-N701 PolarHBondContact O-OD1 2.84Å | ||
| 702 | H | 67.2 | Low | 62.3 | Low | 26 Ų | 26 | 90.4 Ų | 90.4 | 12% | 0.12 | 50% | 0.499 | C | S | . | . | trans | -152.2 | 153.5 | 176.7 | 64.4 | -64.6 | 0 | 0 | 0 | 111.7 | P676 D689 N700 | P676-H702 HydrophobicContact CB-CB 3.76Å; D689-H702 CarbonylContact O-C 3.56Å; D689-H702 WeakPolarHBondContact O-CA 3.31Å; N700-H702 PolarHBondContact O-N 2.87Å; N700-H702 PolarHBondContact OD1-CE1 2.03Å | ||
| 703 | R | 76.8 | Confident | 63.4 | Low | 133 Ų | 133 | 89.5 Ų | 89.5 | 50% | 0.502 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 146.6 | 167.1 | 65.1 | -177.9 | 178 | -175.5 | -1.8 | 110.3 | D689 | D689-R703 HydrophobicContact CB-CG 3.95Å; D689-R703 PolarHBondContact N-O 3.4Å; D689-R703 PolarHBondContact O-N 3.22Å; D689-R703 IonicContact OD2-CZ 2.95Å; D689-R703 IonicContact OD2-NE 2.69Å; D689-R703 PolarHBondContact OD2-NE 3.04Å; D689-R703 IonicContact OD2-NH2 2.65Å; D689-R703 PolarHBondContact OD2-NH2 3.09Å |
| 704 | C | 78.1 | Confident | 64.6 | Low | 20 Ų | 20 | 87.1 Ų | 87.1 | 14% | 0.135 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 116.7 | 171.3 | -65.6 | 0 | 0 | 0 | 0 | 109.9 | C682 V687 P713 | C682-C704 WeakPolarHBondContact CA-SG 3.47Å; C682-C704 HydrophobicContact CB-CB 3.87Å; C682-C704 WeakPolarHBondContact CB-SG 3.38Å; C682-C704 VanDerWaalsContact SG-CA 3.51Å; C682-C704 WeakPolarHBondContact SG-CB 3.32Å; C682-C704 CovalentContact SG-SG 2.03Å; C682-C704 PolarHBondContact SG-SG 3.44Å; V687-C704 WeakPolarHBondContact O-CA 3.48Å; C704-P713 PolarHBondContact SG-O 3.41Å |
| 705 | I | 81.1 | Confident | 66.2 | Low | 89 Ų | 89 | 81.6 Ų | 81.6 | 46% | 0.456 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 111.2 | 171.6 | -57.6 | 177.2 | 0 | 0 | 0 | 107.2 | G686 V687 D689 | G686-I705 CarbonylContact C-O 2.96Å; G686-I705 WeakPolarHBondContact CA-O 3.46Å; V687-I705 PolarHBondContact N-O 3.45Å; V687-I705 PolarHBondContact O-N 3.38Å; D689-I705 HydrophobicContact CB-CD1 3.75Å; D689-I705 HydrophobicContact CB-CG1 4.11Å |
| 706 | C | 80.9 | Confident | 68.1 | Low | 41 Ų | 41 | 79.7 Ų | 79.7 | 28% | 0.277 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 142.2 | -173.7 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | W710 C715 | C706-W710 HydrophobicContact CB-CB 4.15Å; C706-W710 WeakPolarHBondContact CB-O 3.19Å; C706-C715 WeakPolarHBondContact CA-SG 3.42Å; C706-C715 HydrophobicContact CB-CB 3.73Å; C706-C715 WeakPolarHBondContact CB-SG 3.43Å; C706-C715 WeakPolarHBondContact SG-CA 3.17Å; C706-C715 WeakPolarHBondContact SG-CB 3.31Å; C706-C715 CovalentContact SG-SG 2.04Å; C706-C715 PolarHBondContact SG-SG 2.95Å |
| 707 | N | 79 | Confident | 69.9 | Low | 76 Ų | 76 | 78.2 Ų | 78.2 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 155.8 | 171.4 | -62.3 | -11.5 | 0 | 0 | 0 | 109.9 | N685 G709 W710 | N685-N707 WeakPolarHBondContact O-CB 3.35Å; N685-N707 VanDerWaalsContact O-CG 3.32Å; N685-N707 PolarHBondContact O-N 3.41Å; N707-G709 PolarHBondContact O-N 2.82Å; N707-W710 PolarHBondContact O-N 3.47Å |
| 708 | A | 66.7 | Low | 71.1 | Confident | 97 Ų | 97 | 75.6 Ų | 75.6 | 80% | 0.802 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 131.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 709 | G | 64.7 | Low | 72.3 | Confident | 13 Ų | 13 | 74.5 Ų | 74.5 | 13% | 0.134 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 4.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | N707 K718 V719 | N707-G709 PolarHBondContact O-N 2.82Å; G709-K718 WeakPolarHBondContact O-CG 3.46Å; G709-V719 PolarHBondContact O-N 2.99Å |
| 710 | W | 80.2 | Confident | 72.9 | Confident | 86 Ų | 86 | 71.2 Ų | 71.2 | 33% | 0.326 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 151.5 | 179.2 | -63.2 | 85.8 | 0 | 0 | 0 | 113.5 | N685 C706 N707 C715 E717 K718 | N685-W710 HydrophobicContact CB-CB 4.06Å; N685-W710 HydrophobicContact CB-CD2 3.57Å; N685-W710 HydrophobicContact CB-CE3 4.19Å; N685-W710 HydrophobicContact CB-CG 3.48Å; N685-W710 VanDerWaalsContact CB-CG 3.48Å; N685-W710 VanDerWaalsContact ND2-CD2 3.29Å; N685-W710 VanDerWaalsContact ND2-CE2 3.27Å; N685-W710 VanDerWaalsContact ND2-CE3 3.28Å; N685-W710 VanDerWaalsContact ND2-CH2 3.28Å; N685-W710 WeakPolarHBondContact ND2-CH2 3.14Å; N685-W710 VanDerWaalsContact ND2-CZ2 3.27Å; N685-W710 WeakPolarHBondContact ND2-CZ2 3.31Å; N685-W710 VanDerWaalsContact ND2-CZ3 3.28Å; N685-W710 WeakPolarHBondContact ND2-CZ3 3.34Å; C706-W710 HydrophobicContact CB-CB 4.15Å; C706-W710 WeakPolarHBondContact CB-O 3.19Å; N707-W710 PolarHBondContact O-N 3.47Å; W710-C715 HydrophobicContact CB-CB 4.4Å; W710-E717 CarbonylContact C-O 3.58Å; W710-E717 WeakPolarHBondContact CA-O 3.32Å; W710-K718 HydrophobicContact CE3-CB 4.39Å; W710-K718 HydrophobicContact CH2-CB 4.5Å; W710-K718 HydrophobicContact CZ3-CB 4.25Å |
| 711 | T | 78.1 | Confident | 73.4 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | -174.2 | -176.3 | -167.4 | 0 | 0 | 0 | 0 | 111.6 | C715 T716 E717 V719 | T711-C715 CarbonylContact O-C 3.27Å; T711-C715 VanDerWaalsContact O-CA 3.26Å; T711-C715 WeakPolarHBondContact O-CA 3.04Å; T711-T716 PolarHBondContact O-N 3.02Å; T711-E717 HydrophobicContact CG2-CB 3.73Å; T711-E717 PolarHBondContact N-O 3.11Å; T711-E717 PolarHBondContact O-N 2.94Å; T711-E717 VanDerWaalsContact O-N 3.14Å; T711-V719 HydrophobicContact CG2-CG2 3.7Å |
| 712 | G | 76.2 | Confident | 73.5 | Confident | 16 Ų | 16 | 67.9 Ų | 67.9 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 160.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R714 C715 | G712-R714 PolarHBondContact O-N 3.19Å; G712-C715 PolarHBondContact O-N 3.27Å |
| 713 | P | 73.1 | Confident | 73.5 | Confident | 113 Ų | 113 | 74.1 Ų | 74.1 | 73% | 0.734 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -3.5 | -170.1 | 26.7 | -36.1 | 0 | 0 | 0 | 115.3 | C704 | C704-P713 PolarHBondContact SG-O 3.41Š|
| 714 | R | 77.9 | Confident | 72.8 | Confident | 138 Ų | 138 | 71.9 Ų | 71.9 | 52% | 0.521 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.3 | 10.3 | 174.2 | -64 | -169.8 | 170.1 | 169.8 | -2 | 113.8 | L681 S683 G712 T716 | L681-R714 VanDerWaalsContact O-CD 3.23Å; L681-R714 WeakPolarHBondContact O-CD 3.27Å; L681-R714 WeakPolarHBondContact O-CG 3.02Å; S683-R714 WeakPolarHBondContact CB-O 3.42Å; S683-R714 PolarHBondContact N-O 2.03Å; G712-R714 PolarHBondContact O-N 3.19Å; R714-T716 HydrophobicContact CB-CG2 3.93Å; R714-T716 PolarHBondContact O-N 3.13Å |
| 715 | C | 79.4 | Confident | 71.7 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 37.1 | -176 | -46.7 | 0 | 0 | 0 | 0 | 113.2 | S683 N685 C706 W710 T711 G712 | S683-C715 VanDerWaalsContact CB-O 3.31Å; S683-C715 WeakPolarHBondContact CB-O 3.41Å; N685-C715 HydrophobicContact CB-CB 4.39Å; N685-C715 PolarHBondContact ND2-O 3.42Å; N685-C715 WeakPolarHBondContact O-CB 3.26Å; C706-C715 WeakPolarHBondContact CA-SG 3.42Å; C706-C715 HydrophobicContact CB-CB 3.73Å; C706-C715 WeakPolarHBondContact CB-SG 3.43Å; C706-C715 WeakPolarHBondContact SG-CA 3.17Å; C706-C715 WeakPolarHBondContact SG-CB 3.31Å; C706-C715 CovalentContact SG-SG 2.04Å; C706-C715 PolarHBondContact SG-SG 2.95Å; W710-C715 HydrophobicContact CB-CB 4.4Å; T711-C715 CarbonylContact O-C 3.27Å; T711-C715 VanDerWaalsContact O-CA 3.26Å; T711-C715 WeakPolarHBondContact O-CA 3.04Å; G712-C715 PolarHBondContact O-N 3.27Å |
| 716 | T | 80.6 | Confident | 70.8 | Confident | 85 Ų | 85 | 77.9 Ų | 77.9 | 52% | 0.521 | 44% | 0.442 | S | S | . | . | trans | -99 | -19 | -178.9 | 44.1 | 0 | 0 | 0 | 0 | 113 | T711 R714 | T711-T716 PolarHBondContact O-N 3.02Å; R714-T716 HydrophobicContact CB-CG2 3.93Å; R714-T716 PolarHBondContact O-N 3.13Å | ||
| 717 | E | 77.8 | Confident | 70.4 | Confident | 104 Ų | 104 | 78.4 Ų | 78.4 | 49% | 0.486 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.1 | 177.8 | -67.1 | 158.8 | -137.1 | 0 | 0 | 108.6 | W710 T711 | W710-E717 CarbonylContact C-O 3.58Å; W710-E717 WeakPolarHBondContact CA-O 3.32Å; T711-E717 HydrophobicContact CG2-CB 3.73Å; T711-E717 PolarHBondContact N-O 3.11Å; T711-E717 PolarHBondContact O-N 2.94Å; T711-E717 VanDerWaalsContact O-N 3.14Å |
| 718 | K | 68.3 | Low | 70.2 | Confident | 114 Ų | 114 | 75 Ų | 75 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 131.2 | 171.8 | -163.3 | -167.1 | -177.8 | -161 | 0 | 109 | G709 W710 D720 E736 | G709-K718 WeakPolarHBondContact O-CG 3.46Å; W710-K718 HydrophobicContact CE3-CB 4.39Å; W710-K718 HydrophobicContact CH2-CB 4.5Å; W710-K718 HydrophobicContact CZ3-CB 4.25Å; K718-D720 PolarHBondContact O-N 3Å; K718-D720 VanDerWaalsContact O-N 3.15Å; K718-E736 WeakPolarHBondContact CE-OE1 3.01Å; K718-E736 WeakPolarHBondContact CE-OE2 3.39Å; K718-E736 IonicContact NZ-OE1 3.07Å; K718-E736 PolarHBondContact NZ-OE1 2.97Å; K718-E736 IonicContact NZ-OE2 3.63Å; K718-E736 PolarHBondContact NZ-OE2 3.03Å |
| 719 | V | 65.7 | Low | 70.5 | Confident | 51 Ų | 51 | 71.6 Ų | 71.6 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | trans | -70.6 | 108.4 | 171.5 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | G709 T711 M721 | G709-V719 PolarHBondContact O-N 2.99Å; T711-V719 HydrophobicContact CG2-CG2 3.7Å; V719-M721 VanDerWaalsContact C-N 3.29Å; V719-M721 HydrophobicContact CB-CG 4.36Å; V719-M721 HydrophobicContact CG1-CG 3.78Å; V719-M721 PolarHBondContact O-N 3.18Å | ||
| 720 | D | 63.5 | Low | 71.3 | Confident | 69 Ų | 69 | 77.5 Ų | 77.5 | 37% | 0.369 | 43% | 0.426 | S | S | . | . | trans | -71.9 | 88.8 | 163.9 | -173.7 | -22.4 | 0 | 0 | 0 | 108.2 | K718 C722 K723 | K718-D720 PolarHBondContact O-N 3Å; K718-D720 VanDerWaalsContact O-N 3.15Å; D720-C722 PolarHBondContact O-N 3.43Å; D720-C722 PolarHBondContact OD1-N 2.79Å; D720-K723 HydrophobicContact CB-CB 4.3Å; D720-K723 HydrophobicContact CB-CD 4.14Å; D720-K723 HydrophobicContact CB-CG 4.19Å; D720-K723 PolarHBondContact O-N 2.84Å; D720-K723 PolarHBondContact OD1-N 3.34Å; D720-K723 WeakPolarHBondContact OD2-CD 3.3Å; D720-K723 WeakPolarHBondContact OD2-CE 3.29Å; D720-K723 WeakPolarHBondContact OD2-CG 3.31Å; D720-K723 IonicContact OD2-NZ 2.64Å; D720-K723 PolarHBondContact OD2-NZ 3.33Å | ||
| 721 | M | 61.5 | Low | 71.3 | Confident | 45 Ų | 45 | 75 Ų | 75 | 22% | 0.222 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -10.9 | -174.6 | -62.6 | -168.2 | -70 | 0 | 0 | 113.3 | V719 E736 L741 | V719-M721 VanDerWaalsContact C-N 3.29Å; V719-M721 HydrophobicContact CB-CG 4.36Å; V719-M721 HydrophobicContact CG1-CG 3.78Å; V719-M721 PolarHBondContact O-N 3.18Å; M721-E736 HydrophobicContact CE-CG 3.69Å; M721-L741 HydrophobicContact CB-CD1 4.13Å; M721-L741 VanDerWaalsContact O-CD1 3.31Å; M721-L741 WeakPolarHBondContact O-CD1 3.41Å |
| 722 | C | 67.7 | Low | 71.5 | Confident | 41 Ų | 41 | 72.4 Ų | 72.4 | 28% | 0.277 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -6.8 | 175.3 | -62.3 | 0 | 0 | 0 | 0 | 113.8 | D720 C734 | D720-C722 PolarHBondContact O-N 3.43Å; D720-C722 PolarHBondContact OD1-N 2.79Å; C722-C734 WeakPolarHBondContact CA-SG 3.5Å; C722-C734 HydrophobicContact CB-CB 3.6Å; C722-C734 WeakPolarHBondContact CB-SG 3.5Å; C722-C734 WeakPolarHBondContact SG-CB 3.1Å; C722-C734 CovalentContact SG-SG 2.03Å; C722-C734 PolarHBondContact SG-SG 3.1Å |
| 723 | K | 65.5 | Low | 71.8 | Confident | 157 Ų | 157 | 77.6 Ų | 77.6 | 68% | 0.683 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -88.4 | 127.8 | 176.5 | -83.8 | -174.8 | 179 | 105.9 | 0 | 112.2 | D720 N725 | D720-K723 HydrophobicContact CB-CB 4.3Å; D720-K723 HydrophobicContact CB-CD 4.14Å; D720-K723 HydrophobicContact CB-CG 4.19Å; D720-K723 PolarHBondContact O-N 2.84Å; D720-K723 PolarHBondContact OD1-N 3.34Å; D720-K723 WeakPolarHBondContact OD2-CD 3.3Å; D720-K723 WeakPolarHBondContact OD2-CE 3.29Å; D720-K723 WeakPolarHBondContact OD2-CG 3.31Å; D720-K723 IonicContact OD2-NZ 2.64Å; D720-K723 PolarHBondContact OD2-NZ 3.33Å; K723-N725 VanDerWaalsContact C-N 3.31Å; K723-N725 PolarHBondContact O-N 3.48Å |
| 724 | G | 62 | Low | 72.2 | Confident | 87 Ų | 87 | 73.5 Ų | 73.5 | 90% | 0.897 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 81.9 | 1.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 725 | N | 55.6 | Low | 72.1 | Confident | 101 Ų | 101 | 70.1 Ų | 70.1 | 54% | 0.54 | 39% | 0.391 | S | S | . | . | trans | -130.9 | 98.8 | -176.1 | -118.8 | -12.6 | 0 | 0 | 0 | 109.5 | K723 I727 | K723-N725 VanDerWaalsContact C-N 3.31Å; K723-N725 PolarHBondContact O-N 3.48Å; N725-I727 HydrophobicContact CB-CD1 3.77Å; N725-I727 HydrophobicContact CB-CG1 3.91Å; N725-I727 PolarHBondContact O-N 3.42Å | ||
| 726 | D | 63.3 | Low | 71.5 | Confident | 133 Ų | 133 | 73.1 Ų | 73.1 | 71% | 0.711 | 41% | 0.405 | S | S | * | . | trans | -79.4 | 46.5 | -178 | -161.7 | 18.1 | 0 | 0 | 0 | 112.1 | C728 G729 | D726-C728 PolarHBondContact O-N 3Å; D726-G729 PolarHBondContact O-N 2.84Å | ||
| 727 | I | 72.3 | Confident | 70.5 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 27% | 0.272 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.4 | -170.8 | -67.9 | 167.7 | 0 | 0 | 0 | 111.9 | N725 L741 H753 | N725-I727 HydrophobicContact CB-CD1 3.77Å; N725-I727 HydrophobicContact CB-CG1 3.91Å; N725-I727 PolarHBondContact O-N 3.42Å; I727-L741 HydrophobicContact CB-CD2 4.4Å; I727-L741 HydrophobicContact CD1-CD1 3.8Å; I727-L741 HydrophobicContact CD1-CD2 4.39Å; I727-L741 HydrophobicContact CG2-CD2 4.03Å; I727-H753 WeakPolarHBondContact CG2-ND1 3.19Å; I727-H753 WeakPolarHBondContact O-CB 3.01Å; I727-H753 PolarHBondContact O-ND1 3.38Å |
| 728 | C | 74.5 | Confident | 69.5 | Low | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.02 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.7 | -175.8 | -55 | 0 | 0 | 0 | 0 | 114 | D726 G732 C734 C743 H753 | D726-C728 PolarHBondContact O-N 3Å; C728-G732 WeakPolarHBondContact O-CA 3.23Å; C728-G732 PolarHBondContact O-N 2.87Å; C728-C734 VanDerWaalsContact SG-CA 3.55Å; C728-C743 WeakPolarHBondContact CA-SG 3.49Å; C728-C743 HydrophobicContact CB-CB 3.56Å; C728-C743 WeakPolarHBondContact CB-SG 3.39Å; C728-C743 WeakPolarHBondContact SG-CA 3.42Å; C728-C743 WeakPolarHBondContact SG-CB 3.34Å; C728-C743 CovalentContact SG-SG 2.03Å; C728-C743 PolarHBondContact SG-SG 3.39Å; C728-H753 CarbonylContact C-O 3.59Å; C728-H753 VanDerWaalsContact C-O 3.31Å |
| 729 | G | 73.8 | Confident | 68.9 | Low | 27 Ų | 27 | 70.7 Ų | 70.7 | 28% | 0.278 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -173.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D726 N731 G732 | D726-G729 PolarHBondContact O-N 2.84Å; G729-N731 PolarHBondContact O-N 3.4Å; G729-G732 PolarHBondContact O-N 3.16Å |
| 730 | I | 80.9 | Confident | 68.6 | Low | 137 Ų | 137 | 74.7 Ų | 74.7 | 70% | 0.703 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.2 | 179.5 | 63.5 | 169 | 0 | 0 | 0 | 114.2 | K746 | I730-K746 PolarHBondContact O-NZ 3.3Š|
| 731 | N | 79.8 | Confident | 68.7 | Low | 33 Ų | 33 | 73.8 Ų | 73.8 | 18% | 0.176 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -3 | -174 | -66.8 | -38.6 | 0 | 0 | 0 | 114.1 | G729 K746 Y749 C754 | G729-N731 PolarHBondContact O-N 3.4Å; N731-K746 VanDerWaalsContact O-CB 3.29Å; N731-K746 WeakPolarHBondContact O-CB 3.45Å; N731-K746 VanDerWaalsContact O-CG 3.28Å; N731-K746 WeakPolarHBondContact O-CG 3.37Å; N731-K746 PolarHBondContact O-N 3.44Å; N731-Y749 HydrophobicContact CB-CD1 3.84Å; N731-Y749 HydrophobicContact CB-CD2 3.97Å; N731-Y749 HydrophobicContact CB-CE1 4.24Å; N731-Y749 HydrophobicContact CB-CE2 4.36Å; N731-Y749 HydrophobicContact CB-CG 3.7Å; N731-Y749 VanDerWaalsContact CG-CE1 3.46Å; N731-Y749 WeakPolarHBondContact ND2-CD1 3.46Å; N731-Y749 WeakPolarHBondContact ND2-CE1 3.44Å; N731-C754 HydrophobicContact CB-CB 3.96Å; N731-C754 VanDerWaalsContact CB-O 3.26Å; N731-C754 WeakPolarHBondContact CB-O 3.43Å |
| 732 | G | 81.7 | Confident | 69.3 | Low | 14 Ų | 14 | 77.3 Ų | 77.3 | 14% | 0.144 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 164.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | C728 G729 Q744 C754 | C728-G732 WeakPolarHBondContact O-CA 3.23Å; C728-G732 PolarHBondContact O-N 2.87Å; G729-G732 PolarHBondContact O-N 3.16Å; G732-Q744 WeakPolarHBondContact CA-O 2.97Å; G732-C754 VanDerWaalsContact CA-SG 3.51Å |
| 733 | Q | 82.5 | Confident | 70 | Confident | 125 Ų | 125 | 76.5 Ų | 76.5 | 58% | 0.584 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124.5 | 168.5 | 176.1 | 173 | -18.8 | 0 | 0 | 108.6 | I735 Q744 | Q733-I735 PolarHBondContact O-N 3.4Å; Q733-Q744 HydrophobicContact CB-CB 4.48Å; Q733-Q744 PolarHBondContact N-O 3.47Å; Q733-Q744 PolarHBondContact O-N 3.31Å |
| 734 | C | 81.5 | Confident | 70.8 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 132.5 | 176.9 | 177.6 | 0 | 0 | 0 | 0 | 111.3 | C722 C728 L741 | C722-C734 WeakPolarHBondContact CA-SG 3.5Å; C722-C734 HydrophobicContact CB-CB 3.6Å; C722-C734 WeakPolarHBondContact CB-SG 3.5Å; C722-C734 WeakPolarHBondContact SG-CB 3.1Å; C722-C734 CovalentContact SG-SG 2.03Å; C722-C734 PolarHBondContact SG-SG 3.1Å; C728-C734 VanDerWaalsContact SG-CA 3.55Å; C734-L741 VanDerWaalsContact SG-CD1 3.6Å; C734-L741 VanDerWaalsContact SG-CG 3.56Å |
| 735 | I | 77 | Confident | 71.7 | Confident | 66 Ų | 66 | 72 Ų | 72 | 34% | 0.338 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.6 | 172.4 | -60.8 | -172.3 | 0 | 0 | 0 | 108.7 | Q733 Y742 Q744 | Q733-I735 PolarHBondContact O-N 3.4Å; I735-Y742 PolarHBondContact N-O 3.25Å; I735-Y742 PolarHBondContact O-N 3.1Å; I735-Q744 HydrophobicContact CD1-CB 3.66Å; I735-Q744 HydrophobicContact CD1-CG 4.27Å; I735-Q744 HydrophobicContact CG1-CB 4.09Å |
| 736 | E | 65.9 | Low | 72.9 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128 | 164.6 | -178.6 | -168.2 | 166.8 | 0 | 0 | 110.1 | K718 M721 | K718-E736 WeakPolarHBondContact CE-OE1 3.01Å; K718-E736 WeakPolarHBondContact CE-OE2 3.39Å; K718-E736 IonicContact NZ-OE1 3.07Å; K718-E736 PolarHBondContact NZ-OE1 2.97Å; K718-E736 IonicContact NZ-OE2 3.63Å; K718-E736 PolarHBondContact NZ-OE2 3.03Å; M721-E736 HydrophobicContact CE-CG 3.69Å |
| 737 | N | 59.5 | Low | 73.2 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 131 | 170.1 | -166.3 | 4.9 | 0 | 0 | 0 | 110.9 | G739 K740 Y742 | N737-G739 PolarHBondContact O-N 2.86Å; N737-G739 VanDerWaalsContact O-N 3.12Å; N737-K740 PolarHBondContact N-O 3.14Å; N737-K740 PolarHBondContact O-N 2.77Å; N737-K740 VanDerWaalsContact O-O 3.1Å; N737-Y742 HydrophobicContact CB-CD2 3.87Å; N737-Y742 HydrophobicContact CB-CE2 3.94Å |
| 738 | A | 57.6 | Low | 72.7 | Confident | 98 Ų | 98 | 68.2 Ų | 68.2 | 81% | 0.81 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 39.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K740 | A738-K740 VanDerWaalsContact C-N 3.27Å; A738-K740 PolarHBondContact O-N 2.85Å |
| 739 | G | 56.1 | Low | 72.8 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 50% | 0.495 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 9.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | N737 | N737-G739 PolarHBondContact O-N 2.86Å; N737-G739 VanDerWaalsContact O-N 3.12Å |
| 740 | K | 58.8 | Low | 72.8 | Confident | 135 Ų | 135 | 70.6 Ų | 70.6 | 59% | 0.587 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 153.5 | 171.3 | -69.7 | -177.2 | 177 | -173.8 | 0 | 110.8 | N737 A738 Y742 | N737-K740 PolarHBondContact N-O 3.14Å; N737-K740 PolarHBondContact O-N 2.77Å; N737-K740 VanDerWaalsContact O-O 3.1Å; A738-K740 VanDerWaalsContact C-N 3.27Å; A738-K740 PolarHBondContact O-N 2.85Å; K740-Y742 HydrophobicContact CB-CD2 4.32Å; K740-Y742 HydrophobicContact CB-CE2 3.56Å |
| 741 | L | 64.7 | Low | 72.4 | Confident | 50 Ų | 50 | 65.4 Ų | 65.4 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.9 | 175.3 | -170.3 | 153.3 | 0 | 0 | 0 | 108.8 | M721 I727 C734 | M721-L741 HydrophobicContact CB-CD1 4.13Å; M721-L741 VanDerWaalsContact O-CD1 3.31Å; M721-L741 WeakPolarHBondContact O-CD1 3.41Å; I727-L741 HydrophobicContact CB-CD2 4.4Å; I727-L741 HydrophobicContact CD1-CD1 3.8Å; I727-L741 HydrophobicContact CD1-CD2 4.39Å; I727-L741 HydrophobicContact CG2-CD2 4.03Å; C734-L741 VanDerWaalsContact SG-CD1 3.6Å; C734-L741 VanDerWaalsContact SG-CG 3.56Å |
| 742 | Y | 75.2 | Confident | 72.3 | Confident | 119 Ų | 119 | 70.6 Ų | 70.6 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 143.9 | 178.6 | -64.7 | -84.9 | 0 | 0 | 0 | 110 | I735 N737 K740 | I735-Y742 PolarHBondContact N-O 3.25Å; I735-Y742 PolarHBondContact O-N 3.1Å; N737-Y742 HydrophobicContact CB-CD2 3.87Å; N737-Y742 HydrophobicContact CB-CE2 3.94Å; K740-Y742 HydrophobicContact CB-CD2 4.32Å; K740-Y742 HydrophobicContact CB-CE2 3.56Å |
| 743 | C | 82.6 | Confident | 72.3 | Confident | 25 Ų | 25 | 74.4 Ų | 74.4 | 17% | 0.169 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 109.4 | 177 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | C728 C745 D752 | C728-C743 WeakPolarHBondContact CA-SG 3.49Å; C728-C743 HydrophobicContact CB-CB 3.56Å; C728-C743 WeakPolarHBondContact CB-SG 3.39Å; C728-C743 WeakPolarHBondContact SG-CA 3.42Å; C728-C743 WeakPolarHBondContact SG-CB 3.34Å; C728-C743 CovalentContact SG-SG 2.03Å; C728-C743 PolarHBondContact SG-SG 3.39Å; C743-C745 PolarHBondContact O-N 3.23Å; C743-C745 VanDerWaalsContact O-N 3.1Å; C743-D752 WeakPolarHBondContact CB-O 3.29Å; C743-D752 PolarHBondContact SG-O 2.84Å |
| 744 | Q | 82.5 | Confident | 72.3 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 96.9 | 170.5 | -175.3 | -177.9 | 35 | 0 | 0 | 108.9 | G732 Q733 I735 | G732-Q744 WeakPolarHBondContact CA-O 2.97Å; Q733-Q744 HydrophobicContact CB-CB 4.48Å; Q733-Q744 PolarHBondContact N-O 3.47Å; Q733-Q744 PolarHBondContact O-N 3.31Å; I735-Q744 HydrophobicContact CD1-CB 3.66Å; I735-Q744 HydrophobicContact CD1-CG 4.27Å; I735-Q744 HydrophobicContact CG1-CB 4.09Å |
| 745 | C | 80.5 | Confident | 72.2 | Confident | 38 Ų | 38 | 72.5 Ų | 72.5 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 140.7 | -178.3 | -54.8 | 0 | 0 | 0 | 0 | 112.9 | C743 Y749 C754 | C743-C745 PolarHBondContact O-N 3.23Å; C743-C745 VanDerWaalsContact O-N 3.1Å; C745-Y749 WeakPolarHBondContact CB-O 3.41Å; C745-C754 WeakPolarHBondContact CA-SG 3.39Å; C745-C754 HydrophobicContact CB-CB 3.74Å; C745-C754 WeakPolarHBondContact CB-SG 3.44Å; C745-C754 WeakPolarHBondContact SG-CA 3.45Å; C745-C754 WeakPolarHBondContact SG-CB 3.24Å; C745-C754 CovalentContact SG-SG 2.04Å; C745-C754 PolarHBondContact SG-SG 3.44Å |
| 746 | K | 80.7 | Confident | 72 | Confident | 120 Ų | 120 | 74.3 Ų | 74.3 | 52% | 0.522 | 41% | 0.408 | S | S | . | . | trans | -61.4 | 154.1 | 172.3 | -70 | 175 | -171 | 169.8 | 0 | 109.9 | I730 N731 G748 Y749 | I730-K746 PolarHBondContact O-NZ 3.3Å; N731-K746 VanDerWaalsContact O-CB 3.29Å; N731-K746 WeakPolarHBondContact O-CB 3.45Å; N731-K746 VanDerWaalsContact O-CG 3.28Å; N731-K746 WeakPolarHBondContact O-CG 3.37Å; N731-K746 PolarHBondContact O-N 3.44Å; K746-G748 PolarHBondContact O-N 3Å; K746-Y749 HydrophobicContact CB-CD2 4.43Å; K746-Y749 PolarHBondContact O-N 2.04Å | ||
| 747 | A | 70.2 | Confident | 71.9 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 62% | 0.62 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 102.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 748 | G | 61.3 | Low | 71.8 | Confident | 12 Ų | 12 | 75.1 Ų | 75.1 | 12% | 0.124 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 114.2 | 3.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K746 K757 I758 | K746-G748 PolarHBondContact O-N 3Å; G748-K757 CarbonylContact O-C 3.57Å; G748-K757 WeakPolarHBondContact O-CA 3.49Å; G748-I758 PolarHBondContact O-N 2.92Å |
| 749 | Y | 75.5 | Confident | 71.7 | Confident | 56 Ų | 56 | 77.4 Ų | 77.4 | 22% | 0.22 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148.6 | 179.2 | -65.4 | -90.7 | 0 | 0 | 0 | 113.7 | N731 C745 K746 E756 K757 I758 | N731-Y749 HydrophobicContact CB-CD1 3.84Å; N731-Y749 HydrophobicContact CB-CD2 3.97Å; N731-Y749 HydrophobicContact CB-CE1 4.24Å; N731-Y749 HydrophobicContact CB-CE2 4.36Å; N731-Y749 HydrophobicContact CB-CG 3.7Å; N731-Y749 VanDerWaalsContact CG-CE1 3.46Å; N731-Y749 WeakPolarHBondContact ND2-CD1 3.46Å; N731-Y749 WeakPolarHBondContact ND2-CE1 3.44Å; C745-Y749 WeakPolarHBondContact CB-O 3.41Å; K746-Y749 HydrophobicContact CB-CD2 4.43Å; K746-Y749 PolarHBondContact O-N 2.04Å; Y749-E756 CarbonylContact C-O 3.54Å; Y749-E756 WeakPolarHBondContact CA-O 3.48Å; Y749-E756 WeakPolarHBondContact CB-O 3.45Å; Y749-E756 VanDerWaalsContact CD1-O 3.28Å; Y749-E756 WeakPolarHBondContact CD1-O 3.47Å; Y749-K757 HydrophobicContact CD1-CG 3.85Å; Y749-K757 HydrophobicContact CE1-CD 4.16Å; Y749-K757 HydrophobicContact CE1-CG 3.39Å; Y749-K757 WeakPolarHBondContact OH-CE 3.37Å; Y749-I758 VanDerWaalsContact C-CG1 3.46Å; Y749-I758 WeakPolarHBondContact O-CD1 3.39Å |
| 750 | S | 73.8 | Confident | 71.6 | Confident | 25 Ų | 25 | 77.9 Ų | 77.9 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | -172.6 | 178.7 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | C754 E755 E756 I758 | S750-C754 CarbonylContact O-C 3.59Å; S750-C754 VanDerWaalsContact O-C 3.25Å; S750-C754 WeakPolarHBondContact O-CA 3.46Å; S750-E755 PolarHBondContact O-N 3.49Å; S750-E755 VanDerWaalsContact O-N 3.17Å; S750-E756 WeakPolarHBondContact CB-OE2 3.42Å; S750-E756 PolarHBondContact N-O 2.04Å; S750-E756 WeakPolarHBondContact O-CB 3.37Å; S750-E756 PolarHBondContact O-N 3.49Å; S750-E756 WeakPolarHBondContact OG-CB 3.03Å; S750-E756 PolarHBondContact OG-OE2 2.04Å; S750-I758 VanDerWaalsContact CB-CG1 3.47Å; S750-I758 VanDerWaalsContact OG-CG1 3.31Å; S750-I758 WeakPolarHBondContact OG-CG1 3.29Å |
| 751 | G | 72.3 | Confident | 71.8 | Confident | 28 Ų | 28 | 73.3 Ų | 73.3 | 29% | 0.289 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 86.4 | 159.8 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H753 C754 E755 E756 | G751-H753 PolarHBondContact O-N 2.87Å; G751-C754 PolarHBondContact O-N 2.85Å; G751-E755 VanDerWaalsContact CA-OE2 3.24Å; G751-E755 WeakPolarHBondContact CA-OE2 3.38Å; G751-E756 PolarHBondContact N-OE2 3.08Å |
| 752 | D | 78.7 | Confident | 71.6 | Confident | 141 Ų | 141 | 77.5 Ų | 77.5 | 75% | 0.754 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.2 | -176.5 | -73 | -39.2 | 0 | 0 | 0 | 112.6 | C743 E755 | C743-D752 WeakPolarHBondContact CB-O 3.29Å; C743-D752 PolarHBondContact SG-O 2.84Å; D752-E755 PolarHBondContact N-OE2 2.64Å |
| 753 | H | 81.6 | Confident | 70.6 | Confident | 95 Ų | 95 | 77.5 Ų | 77.5 | 44% | 0.44 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 13.3 | 178.2 | -57.5 | -72.3 | 0 | 0 | 0 | 112.8 | I727 C728 G751 E755 | I727-H753 WeakPolarHBondContact CG2-ND1 3.19Å; I727-H753 WeakPolarHBondContact O-CB 3.01Å; I727-H753 PolarHBondContact O-ND1 3.38Å; C728-H753 CarbonylContact C-O 3.59Å; C728-H753 VanDerWaalsContact C-O 3.31Å; G751-H753 PolarHBondContact O-N 2.87Å; H753-E755 VanDerWaalsContact CA-OE2 3.28Å; H753-E755 WeakPolarHBondContact CA-OE2 3.07Å; H753-E755 WeakPolarHBondContact CB-OE2 3.4Å; H753-E755 IonicContact CD2-OE1 3.41Å; H753-E755 PolarHBondContact N-OE2 2.83Å; H753-E755 PolarHBondContact O-N 3.21Å |
| 754 | C | 81.8 | Confident | 69.5 | Low | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 43% | 0.427 | C | S | . | . | S | Bend | trans | 56 | 29.9 | -175.9 | -53.5 | 0 | 0 | 0 | 0 | 114.3 | N731 G732 C745 S750 G751 | N731-C754 HydrophobicContact CB-CB 3.96Å; N731-C754 VanDerWaalsContact CB-O 3.26Å; N731-C754 WeakPolarHBondContact CB-O 3.43Å; G732-C754 VanDerWaalsContact CA-SG 3.51Å; C745-C754 WeakPolarHBondContact CA-SG 3.39Å; C745-C754 HydrophobicContact CB-CB 3.74Å; C745-C754 WeakPolarHBondContact CB-SG 3.44Å; C745-C754 WeakPolarHBondContact SG-CA 3.45Å; C745-C754 WeakPolarHBondContact SG-CB 3.24Å; C745-C754 CovalentContact SG-SG 2.04Å; C745-C754 PolarHBondContact SG-SG 3.44Å; S750-C754 CarbonylContact O-C 3.59Å; S750-C754 VanDerWaalsContact O-C 3.25Å; S750-C754 WeakPolarHBondContact O-CA 3.46Å; G751-C754 PolarHBondContact O-N 2.85Å |
| 755 | E | 80.7 | Confident | 68.6 | Low | 112 Ų | 112 | 81.6 Ų | 81.6 | 52% | 0.523 | 42% | 0.423 | S | S | . | . | trans | -79.6 | -31.3 | -177.1 | 67.2 | -86.3 | -127.6 | 0 | 0 | 113.2 | S750 G751 D752 H753 | S750-E755 PolarHBondContact O-N 3.49Å; S750-E755 VanDerWaalsContact O-N 3.17Å; G751-E755 VanDerWaalsContact CA-OE2 3.24Å; G751-E755 WeakPolarHBondContact CA-OE2 3.38Å; D752-E755 PolarHBondContact N-OE2 2.64Å; H753-E755 VanDerWaalsContact CA-OE2 3.28Å; H753-E755 WeakPolarHBondContact CA-OE2 3.07Å; H753-E755 WeakPolarHBondContact CB-OE2 3.4Å; H753-E755 IonicContact CD2-OE1 3.41Å; H753-E755 PolarHBondContact N-OE2 2.83Å; H753-E755 PolarHBondContact O-N 3.21Å | ||
| 756 | E | 72.4 | Confident | 68.3 | Low | 104 Ų | 104 | 81.8 Ų | 81.8 | 49% | 0.486 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 145.4 | -179.6 | -52.6 | -176.6 | 129.9 | 0 | 0 | 111.1 | Y749 S750 G751 | Y749-E756 CarbonylContact C-O 3.54Å; Y749-E756 WeakPolarHBondContact CA-O 3.48Å; Y749-E756 WeakPolarHBondContact CB-O 3.45Å; Y749-E756 VanDerWaalsContact CD1-O 3.28Å; Y749-E756 WeakPolarHBondContact CD1-O 3.47Å; S750-E756 WeakPolarHBondContact CB-OE2 3.42Å; S750-E756 PolarHBondContact N-O 2.04Å; S750-E756 WeakPolarHBondContact O-CB 3.37Å; S750-E756 PolarHBondContact O-N 3.49Å; S750-E756 WeakPolarHBondContact OG-CB 3.03Å; S750-E756 PolarHBondContact OG-OE2 2.04Å; G751-E756 PolarHBondContact N-OE2 3.08Å |
| 757 | K | 63.1 | Low | 68.2 | Low | 130 Ų | 130 | 76.6 Ų | 76.6 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.3 | 164.7 | -79.8 | 176.2 | 176.3 | 172.2 | 0 | 110 | G748 Y749 K759 | G748-K757 CarbonylContact O-C 3.57Å; G748-K757 WeakPolarHBondContact O-CA 3.49Å; Y749-K757 HydrophobicContact CD1-CG 3.85Å; Y749-K757 HydrophobicContact CE1-CD 4.16Å; Y749-K757 HydrophobicContact CE1-CG 3.39Å; Y749-K757 WeakPolarHBondContact OH-CE 3.37Å; K757-K759 PolarHBondContact O-N 2.8Å |
| 758 | I | 57.8 | Low | 68.5 | Low | 55 Ų | 55 | 74.5 Ų | 74.5 | 28% | 0.282 | 39% | 0.388 | S | S | . | . | trans | -61.5 | 112.3 | 175.3 | -57.6 | 171.8 | 0 | 0 | 0 | 108.9 | G748 Y749 S750 R760 | G748-I758 PolarHBondContact O-N 2.92Å; Y749-I758 VanDerWaalsContact C-CG1 3.46Å; Y749-I758 WeakPolarHBondContact O-CD1 3.39Å; S750-I758 VanDerWaalsContact CB-CG1 3.47Å; S750-I758 VanDerWaalsContact OG-CG1 3.31Å; S750-I758 WeakPolarHBondContact OG-CG1 3.29Å; I758-R760 HydrophobicContact CB-CG 4.34Å; I758-R760 HydrophobicContact CG2-CB 4.25Å; I758-R760 HydrophobicContact CG2-CG 3.76Å; I758-R760 PolarHBondContact O-N 3.3Å | ||
| 759 | K | 55.3 | Low | 69.2 | Low | 147 Ų | 147 | 77.7 Ų | 77.7 | 64% | 0.639 | 40% | 0.402 | S | S | * | . | trans | -71.1 | 84.5 | 161.1 | -65.1 | -179.8 | -178.1 | 173.8 | 0 | 108.2 | K757 C761 L762 | K757-K759 PolarHBondContact O-N 2.8Å; K759-C761 PolarHBondContact O-N 3.45Å; K759-L762 HydrophobicContact CB-CB 4.13Å; K759-L762 HydrophobicContact CB-CD1 3.94Å; K759-L762 HydrophobicContact CD-CD1 3.91Å; K759-L762 PolarHBondContact O-N 2.78Å | ||
| 760 | R | 54.2 | Low | 69 | Low | 58 Ų | 58 | 77.4 Ų | 77.4 | 22% | 0.219 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -5.6 | -158 | -117 | -173.9 | -173.7 | 155.7 | -11.4 | 118.9 | I758 P766 F780 | I758-R760 HydrophobicContact CB-CG 4.34Å; I758-R760 HydrophobicContact CG2-CB 4.25Å; I758-R760 HydrophobicContact CG2-CG 3.76Å; I758-R760 PolarHBondContact O-N 3.3Å; R760-P766 VanDerWaalsContact O-CD 3.26Å; R760-P766 WeakPolarHBondContact O-CD 3.41Å; R760-F780 HydrophobicContact CB-CB 4.07Å; R760-F780 HydrophobicContact CB-CG 4.4Å |
| 761 | C | 63.8 | Low | 69.3 | Low | 38 Ų | 38 | 76.3 Ų | 76.3 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -2.6 | 174.4 | -47.5 | 0 | 0 | 0 | 0 | 113.3 | K759 C773 R774 T775 | K759-C761 PolarHBondContact O-N 3.45Å; C761-C773 WeakPolarHBondContact CA-SG 3.48Å; C761-C773 HydrophobicContact CB-CB 3.6Å; C761-C773 WeakPolarHBondContact CB-SG 3.43Å; C761-C773 WeakPolarHBondContact SG-CB 3.45Å; C761-C773 PolarHBondContact SG-O 2.7Å; C761-C773 CovalentContact SG-SG 2.03Å; C761-C773 PolarHBondContact SG-SG 2.74Å; C761-R774 VanDerWaalsContact SG-C 3.55Å; C761-T775 HydrophobicContact CB-CG2 4.35Å; C761-T775 PolarHBondContact SG-N 3.23Å |
| 762 | L | 59 | Low | 69.6 | Low | 139 Ų | 139 | 76.6 Ų | 76.6 | 73% | 0.728 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -13.4 | -172.2 | -89 | 165.8 | 0 | 0 | 0 | 114.8 | K759 | K759-L762 HydrophobicContact CB-CB 4.13Å; K759-L762 HydrophobicContact CB-CD1 3.94Å; K759-L762 HydrophobicContact CD-CD1 3.91Å; K759-L762 PolarHBondContact O-N 2.78Å |
| 763 | I | 55.9 | Low | 69.6 | Low | 119 Ų | 119 | 70.5 Ų | 70.5 | 61% | 0.61 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -112 | -44.7 | -177.3 | -58.8 | 177 | 0 | 0 | 0 | 110.9 | ||
| 764 | L | 57.7 | Low | 69.3 | Low | 141 Ų | 141 | 71.3 Ų | 71.3 | 74% | 0.738 | 37% | 0.372 | S | S | * | . | trans | -140.1 | 150.9 | 167 | -126.7 | 78.6 | 0 | 0 | 0 | 107.1 | P766 | L764-P766 VanDerWaalsContact O-CD 3.29Å; L764-P766 WeakPolarHBondContact O-CD 3.47Å | ||
| 765 | N | 65.1 | Low | 68.4 | Low | 81 Ų | 81 | 75.4 Ų | 75.4 | 43% | 0.433 | 40% | 0.398 | S | S | . | . | trans | -86.5 | 111.6 | 166.2 | -177.8 | 0.4 | 0 | 0 | 0 | 108.5 | C767 G771 C773 | N765-C767 PolarHBondContact O-N 3.22Å; N765-C767 VanDerWaalsContact OD1-CB 3.24Å; N765-C767 WeakPolarHBondContact OD1-CB 3.27Å; N765-C767 PolarHBondContact OD1-N 3.42Å; N765-C767 PolarHBondContact OD1-SG 3.33Å; N765-G771 PolarHBondContact ND2-O 2.98Å; N765-C773 VanDerWaalsContact OD1-CB 3.26Å; N765-C773 WeakPolarHBondContact OD1-CB 3.34Å | ||
| 766 | P | 73.4 | Confident | 67.4 | Low | 42 Ų | 42 | 75.6 Ų | 75.6 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | trans | -73.1 | -8.1 | -179.7 | 31 | -37.6 | 0 | 0 | 0 | 113.6 | R760 L764 C773 F780 L792 | R760-P766 VanDerWaalsContact O-CD 3.26Å; R760-P766 WeakPolarHBondContact O-CD 3.41Å; L764-P766 VanDerWaalsContact O-CD 3.29Å; L764-P766 WeakPolarHBondContact O-CD 3.47Å; P766-C773 HydrophobicContact CG-CB 4.46Å; P766-F780 HydrophobicContact CB-CD2 4.35Å; P766-F780 HydrophobicContact CB-CE2 3.77Å; P766-F780 HydrophobicContact CB-CZ 4.31Å; P766-F780 HydrophobicContact CG-CD2 3.41Å; P766-F780 VanDerWaalsContact CG-CD2 3.41Å; P766-F780 HydrophobicContact CG-CE2 3.32Å; P766-F780 HydrophobicContact CG-CG 4.35Å; P766-F780 HydrophobicContact CG-CZ 4.19Å; P766-L792 HydrophobicContact CB-CD2 4.48Å | ||
| 767 | C | 79.1 | Confident | 66.3 | Low | 11 Ų | 11 | 78 Ų | 78 | 7% | 0.074 | 41% | 0.41 | C | S | . | . | trans | -85.1 | 116.5 | -176.9 | -50.2 | 0 | 0 | 0 | 0 | 111.1 | N765 G771 C773 C782 | N765-C767 PolarHBondContact O-N 3.22Å; N765-C767 VanDerWaalsContact OD1-CB 3.24Å; N765-C767 WeakPolarHBondContact OD1-CB 3.27Å; N765-C767 PolarHBondContact OD1-N 3.42Å; N765-C767 PolarHBondContact OD1-SG 3.33Å; C767-G771 VanDerWaalsContact CB-O 3.28Å; C767-G771 WeakPolarHBondContact CB-O 3.24Å; C767-C773 VanDerWaalsContact SG-CA 3.58Å; C767-C782 WeakPolarHBondContact CA-SG 3.23Å; C767-C782 HydrophobicContact CB-CB 3.68Å; C767-C782 WeakPolarHBondContact CB-SG 3.32Å; C767-C782 WeakPolarHBondContact SG-CA 3.43Å; C767-C782 WeakPolarHBondContact SG-CB 3.07Å; C767-C782 CovalentContact SG-SG 2.02Å; C767-C782 PolarHBondContact SG-SG 3.39Å | ||
| 768 | G | 75.3 | Confident | 65.7 | Low | 31 Ų | 31 | 79.7 Ų | 79.7 | 32% | 0.32 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -67.6 | 172.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G770 G771 L792 C793 | G768-G770 PolarHBondContact O-N 3.1Å; G768-G771 PolarHBondContact O-N 3.26Å; G768-L792 WeakPolarHBondContact CA-O 3.06Å; G768-L792 PolarHBondContact N-O 2.91Å; G768-C793 WeakPolarHBondContact O-CB 3.4Å |
| 769 | N | 76.3 | Confident | 65.6 | Low | 78 Ų | 78 | 81.6 Ų | 81.6 | 42% | 0.417 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 31 | 172 | -60.5 | -45.5 | 0 | 0 | 0 | 115.2 | F788 C793 | N769-F788 HydrophobicContact CB-CB 4.29Å; N769-F788 HydrophobicContact CB-CD1 3.43Å; N769-F788 VanDerWaalsContact CB-CD1 3.43Å; N769-F788 HydrophobicContact CB-CD2 3.8Å; N769-F788 HydrophobicContact CB-CE1 3.55Å; N769-F788 HydrophobicContact CB-CE2 3.92Å; N769-F788 HydrophobicContact CB-CG 3.56Å; N769-F788 HydrophobicContact CB-CZ 3.8Å; N769-F788 VanDerWaalsContact CG-CD1 3.45Å; N769-F788 VanDerWaalsContact ND2-CD1 3.34Å; N769-F788 WeakPolarHBondContact ND2-CD1 3.49Å; N769-C793 PolarHBondContact ND2-O 3.4Å |
| 770 | G | 71.5 | Confident | 66.3 | Low | 51 Ų | 51 | 76.4 Ų | 76.4 | 53% | 0.526 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 10.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | G768 F785 | G768-G770 PolarHBondContact O-N 3.1Å; G770-F785 VanDerWaalsContact O-CD2 3.25Å; G770-F785 WeakPolarHBondContact O-CD2 3.36Å |
| 771 | G | 79.9 | Confident | 67.4 | Low | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.01 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 146.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N765 C767 G768 E783 | N765-G771 PolarHBondContact ND2-O 2.98Å; C767-G771 VanDerWaalsContact CB-O 3.28Å; C767-G771 WeakPolarHBondContact CB-O 3.24Å; G768-G771 PolarHBondContact O-N 3.26Å; G771-E783 CarbonylContact C-O 3.23Å; G771-E783 VanDerWaalsContact CA-O 3.28Å; G771-E783 WeakPolarHBondContact CA-O 3.02Å |
| 772 | V | 79.2 | Confident | 68.2 | Low | 34 Ų | 34 | 80 Ų | 80 | 21% | 0.206 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 116.9 | 178.2 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | Y455 E783 | Y455-V772 HydrophobicContact CE2-CG1 3.74Å; Y455-V772 HydrophobicContact CE2-CG2 4.19Å; Y455-V772 WeakPolarHBondContact OH-CG1 3.47Å; V772-E783 HydrophobicContact CB-CB 4.37Å; V772-E783 PolarHBondContact N-O 2.85Å; V772-E783 PolarHBondContact O-N 3.33Å |
| 773 | C | 79.4 | Confident | 69.3 | Low | 13 Ų | 13 | 76.5 Ų | 76.5 | 9% | 0.088 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 124.9 | 172.1 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | C761 N765 P766 C767 | C761-C773 WeakPolarHBondContact CA-SG 3.48Å; C761-C773 HydrophobicContact CB-CB 3.6Å; C761-C773 WeakPolarHBondContact CB-SG 3.43Å; C761-C773 WeakPolarHBondContact SG-CB 3.45Å; C761-C773 PolarHBondContact SG-O 2.7Å; C761-C773 CovalentContact SG-SG 2.03Å; C761-C773 PolarHBondContact SG-SG 2.74Å; N765-C773 VanDerWaalsContact OD1-CB 3.26Å; N765-C773 WeakPolarHBondContact OD1-CB 3.34Å; P766-C773 HydrophobicContact CG-CB 4.46Å; C767-C773 VanDerWaalsContact SG-CA 3.58Å |
| 774 | R | 75.5 | Confident | 70.5 | Confident | 113 Ų | 113 | 72.9 Ų | 72.9 | 43% | 0.426 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.7 | 165.5 | -63 | -163 | -170.2 | -163.3 | 18.4 | 110.4 | C761 Y776 F780 R781 E783 | C761-R774 VanDerWaalsContact SG-C 3.55Å; R774-Y776 HydrophobicContact CB-CD2 4.16Å; R774-Y776 HydrophobicContact CB-CE2 3.6Å; R774-F780 CarbonylContact O-C 3.59Å; R774-F780 VanDerWaalsContact O-CA 3.28Å; R774-F780 WeakPolarHBondContact O-CA 3.04Å; R774-R781 PolarHBondContact N-O 2.98Å; R774-R781 PolarHBondContact O-N 3.18Å; R774-E783 IonicContact CZ-OE1 3.22Å; R774-E783 IonicContact CZ-OE2 3.13Å; R774-E783 IonicContact NE-OE1 2.83Å; R774-E783 PolarHBondContact NE-OE1 3.45Å; R774-E783 IonicContact NE-OE2 3.32Å; R774-E783 PolarHBondContact NE-OE2 3.35Å; R774-E783 IonicContact NH2-OE1 3.21Å; R774-E783 PolarHBondContact NH2-OE1 2.84Å; R774-E783 IonicContact NH2-OE2 2.72Å; R774-E783 PolarHBondContact NH2-OE2 3.5Å |
| 775 | T | 61.7 | Low | 71.6 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 53% | 0.528 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 131.3 | 168.2 | 47.4 | 0 | 0 | 0 | 0 | 110.3 | C761 | C761-T775 HydrophobicContact CB-CG2 4.35Å; C761-T775 PolarHBondContact SG-N 3.23Å |
| 776 | Y | 59.1 | Low | 72.3 | Confident | 115 Ų | 115 | 73.9 Ų | 73.9 | 45% | 0.451 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 134.5 | 169.8 | -69.8 | -84.6 | 0 | 0 | 0 | 107 | R774 H778 N779 R781 | R774-Y776 HydrophobicContact CB-CD2 4.16Å; R774-Y776 HydrophobicContact CB-CE2 3.6Å; Y776-H778 PolarHBondContact O-N 3.27Å; Y776-N779 PolarHBondContact N-O 3.11Å; Y776-N779 VanDerWaalsContact N-O 3.11Å; Y776-N779 CarbonylContact O-C 3.49Å; Y776-N779 VanDerWaalsContact O-C 3.3Å; Y776-N779 WeakPolarHBondContact O-CA 3.39Å; Y776-N779 PolarHBondContact O-N 2.95Å; Y776-R781 HydrophobicContact CD2-CB 4.04Å; Y776-R781 HydrophobicContact CE2-CB 4.07Å |
| 777 | D | 50 | Low | 72.5 | Confident | 155 Ų | 155 | 73.5 Ų | 73.5 | 83% | 0.829 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -22.7 | 109.7 | -167.4 | -62 | -57.9 | 0 | 0 | 0 | 116.4 | N779 | D777-N779 PolarHBondContact O-N 2.87Š|
| 778 | H | 51.2 | Low | 72.7 | Confident | 165 Ų | 165 | 76 Ų | 76 | 76% | 0.764 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 0.5 | -177.7 | -47 | -54.1 | 0 | 0 | 0 | 117.5 | Y776 | Y776-H778 PolarHBondContact O-N 3.27Š|
| 779 | N | 55.8 | Low | 73.1 | Confident | 96 Ų | 96 | 77.3 Ų | 77.3 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | -175 | 175.1 | -153.2 | 5.1 | 0 | 0 | 0 | 112.8 | Y776 D777 | Y776-N779 PolarHBondContact N-O 3.11Å; Y776-N779 VanDerWaalsContact N-O 3.11Å; Y776-N779 CarbonylContact O-C 3.49Å; Y776-N779 VanDerWaalsContact O-C 3.3Å; Y776-N779 WeakPolarHBondContact O-CA 3.39Å; Y776-N779 PolarHBondContact O-N 2.95Å; D777-N779 PolarHBondContact O-N 2.87Å |
| 780 | F | 69.4 | Low | 73.2 | Confident | 37 Ų | 37 | 75.2 Ų | 75.2 | 16% | 0.162 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 160.3 | 172.7 | 75.2 | -64.8 | 0 | 0 | 0 | 109.5 | R760 P766 R774 L792 | R760-F780 HydrophobicContact CB-CB 4.07Å; R760-F780 HydrophobicContact CB-CG 4.4Å; P766-F780 HydrophobicContact CB-CD2 4.35Å; P766-F780 HydrophobicContact CB-CE2 3.77Å; P766-F780 HydrophobicContact CB-CZ 4.31Å; P766-F780 HydrophobicContact CG-CD2 3.41Å; P766-F780 VanDerWaalsContact CG-CD2 3.41Å; P766-F780 HydrophobicContact CG-CE2 3.32Å; P766-F780 HydrophobicContact CG-CG 4.35Å; P766-F780 HydrophobicContact CG-CZ 4.19Å; R774-F780 CarbonylContact O-C 3.59Å; R774-F780 VanDerWaalsContact O-CA 3.28Å; R774-F780 WeakPolarHBondContact O-CA 3.04Å; F780-L792 HydrophobicContact CE2-CD2 3.71Å; F780-L792 HydrophobicContact CZ-CD2 3.6Å |
| 781 | R | 77 | Confident | 73.6 | Confident | 160 Ų | 160 | 81 Ų | 81 | 60% | 0.604 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 134.2 | 173.7 | -170.2 | -177.1 | -166.1 | -167.8 | 6.1 | 109.1 | R774 Y776 | R774-R781 PolarHBondContact N-O 2.98Å; R774-R781 PolarHBondContact O-N 3.18Å; Y776-R781 HydrophobicContact CD2-CB 4.04Å; Y776-R781 HydrophobicContact CE2-CB 4.07Å |
| 782 | C | 79.9 | Confident | 73.6 | Confident | 13 Ų | 13 | 84.3 Ų | 84.3 | 9% | 0.088 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 122.1 | 169.6 | -64.1 | 0 | 0 | 0 | 0 | 110.7 | C767 E791 C793 | C767-C782 WeakPolarHBondContact CA-SG 3.23Å; C767-C782 HydrophobicContact CB-CB 3.68Å; C767-C782 WeakPolarHBondContact CB-SG 3.32Å; C767-C782 WeakPolarHBondContact SG-CA 3.43Å; C767-C782 WeakPolarHBondContact SG-CB 3.07Å; C767-C782 CovalentContact SG-SG 2.02Å; C767-C782 PolarHBondContact SG-SG 3.39Å; C782-E791 VanDerWaalsContact CB-O 3.32Å; C782-E791 WeakPolarHBondContact CB-O 3.43Å; C782-E791 PolarHBondContact SG-O 3.04Å; C782-C793 WeakPolarHBondContact CB-SG 3.45Å |
| 783 | E | 83.4 | Confident | 73.8 | Confident | 64 Ų | 64 | 82.7 Ų | 82.7 | 30% | 0.299 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 103.8 | 167.3 | -67.8 | -175.9 | 160.3 | 0 | 0 | 108.6 | G771 V772 R774 | G771-E783 CarbonylContact C-O 3.23Å; G771-E783 VanDerWaalsContact CA-O 3.28Å; G771-E783 WeakPolarHBondContact CA-O 3.02Å; V772-E783 HydrophobicContact CB-CB 4.37Å; V772-E783 PolarHBondContact N-O 2.85Å; V772-E783 PolarHBondContact O-N 3.33Å; R774-E783 IonicContact CZ-OE1 3.22Å; R774-E783 IonicContact CZ-OE2 3.13Å; R774-E783 IonicContact NE-OE1 2.83Å; R774-E783 PolarHBondContact NE-OE1 3.45Å; R774-E783 IonicContact NE-OE2 3.32Å; R774-E783 PolarHBondContact NE-OE2 3.35Å; R774-E783 IonicContact NH2-OE1 3.21Å; R774-E783 PolarHBondContact NH2-OE1 2.84Å; R774-E783 IonicContact NH2-OE2 2.72Å; R774-E783 PolarHBondContact NH2-OE2 3.5Å |
| 784 | C | 81.6 | Confident | 73.9 | Confident | 44 Ų | 44 | 86.8 Ų | 86.8 | 30% | 0.297 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 141 | -171.7 | -52.9 | 0 | 0 | 0 | 0 | 112.8 | F788 C793 | C784-F788 HydrophobicContact CB-CB 4.2Å; C784-F788 WeakPolarHBondContact CB-O 3.43Å; C784-C793 WeakPolarHBondContact CA-SG 3.03Å; C784-C793 HydrophobicContact CB-CB 3.72Å; C784-C793 WeakPolarHBondContact CB-SG 3.29Å; C784-C793 WeakPolarHBondContact SG-CA 3.03Å; C784-C793 WeakPolarHBondContact SG-CB 3.44Å; C784-C793 CovalentContact SG-SG 2.03Å; C784-C793 PolarHBondContact SG-SG 3.06Å |
| 785 | F | 80.6 | Confident | 74.1 | Confident | 136 Ų | 136 | 85.2 Ų | 85.2 | 60% | 0.596 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 148.2 | 167.5 | -104.2 | -100.4 | 0 | 0 | 0 | 111 | G770 G787 F788 | G770-F785 VanDerWaalsContact O-CD2 3.25Å; G770-F785 WeakPolarHBondContact O-CD2 3.36Å; F785-G787 PolarHBondContact O-N 3.05Å; F785-G787 VanDerWaalsContact O-N 3.08Å; F785-F788 HydrophobicContact CB-CD2 4.35Å; F785-F788 PolarHBondContact O-N 2.91Å |
| 786 | A | 79.5 | Confident | 74.5 | Confident | 107 Ų | 107 | 83.6 Ų | 83.6 | 88% | 0.884 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 116.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 787 | G | 76.8 | Confident | 74.8 | Confident | 33 Ų | 33 | 83.2 Ų | 83.2 | 34% | 0.34 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.1 | -3.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F785 L797 | F785-G787 PolarHBondContact O-N 3.05Å; F785-G787 VanDerWaalsContact O-N 3.08Å; G787-L797 WeakPolarHBondContact O-CB 3.27Å; G787-L797 PolarHBondContact O-N 3.08Å |
| 788 | F | 82.6 | Confident | 75 | Confident | 63 Ų | 63 | 84.8 Ų | 84.8 | 28% | 0.276 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.7 | 177 | -61.7 | -79.1 | 0 | 0 | 0 | 112.9 | N769 C784 F785 C793 N795 A796 | N769-F788 HydrophobicContact CB-CB 4.29Å; N769-F788 HydrophobicContact CB-CD1 3.43Å; N769-F788 VanDerWaalsContact CB-CD1 3.43Å; N769-F788 HydrophobicContact CB-CD2 3.8Å; N769-F788 HydrophobicContact CB-CE1 3.55Å; N769-F788 HydrophobicContact CB-CE2 3.92Å; N769-F788 HydrophobicContact CB-CG 3.56Å; N769-F788 HydrophobicContact CB-CZ 3.8Å; N769-F788 VanDerWaalsContact CG-CD1 3.45Å; N769-F788 VanDerWaalsContact ND2-CD1 3.34Å; N769-F788 WeakPolarHBondContact ND2-CD1 3.49Å; C784-F788 HydrophobicContact CB-CB 4.2Å; C784-F788 WeakPolarHBondContact CB-O 3.43Å; F785-F788 HydrophobicContact CB-CD2 4.35Å; F785-F788 PolarHBondContact O-N 2.91Å; F788-C793 HydrophobicContact CB-CB 4.27Å; F788-N795 CarbonylContact C-O 3.58Å; F788-N795 WeakPolarHBondContact CA-O 3.04Å; F788-A796 HydrophobicContact CD1-CB 4.13Å; F788-A796 HydrophobicContact CE1-CB 3.91Å |
| 789 | T | 83.9 | Confident | 74.4 | Confident | 59 Ų | 59 | 79.5 Ų | 79.5 | 36% | 0.362 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 172.2 | -179.6 | 52.2 | 0 | 0 | 0 | 0 | 111.4 | C793 E794 N795 L797 | T789-C793 CarbonylContact O-C 3.54Å; T789-C793 VanDerWaalsContact O-C 3.23Å; T789-C793 WeakPolarHBondContact O-CA 3.29Å; T789-E794 PolarHBondContact O-N 3.27Å; T789-N795 PolarHBondContact N-O 2.89Å; T789-N795 WeakPolarHBondContact O-CA 3.22Å; T789-N795 WeakPolarHBondContact O-CB 3.32Å; T789-N795 PolarHBondContact O-N 3Å; T789-N795 PolarHBondContact O-ND2 3.01Å; T789-N795 VanDerWaalsContact O-ND2 3.13Å; T789-L797 HydrophobicContact CG2-CD1 3.82Å; T789-L797 HydrophobicContact CG2-CD2 3.9Å; T789-L797 HydrophobicContact CG2-CG 3.84Å |
| 790 | G | 79.4 | Confident | 73.4 | Confident | 34 Ų | 34 | 84.8 Ų | 84.8 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | S | Bend | trans | 105.1 | 164.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L792 C793 E794 N795 | G790-L792 PolarHBondContact O-N 3.49Å; G790-C793 PolarHBondContact O-N 3.08Å; G790-E794 VanDerWaalsContact CA-OE1 3.28Å; G790-E794 WeakPolarHBondContact CA-OE1 3.43Å; G790-E794 WeakPolarHBondContact CA-OE2 3.32Å; G790-N795 WeakPolarHBondContact CA-ND2 3.18Å |
| 791 | E | 79.8 | Confident | 71.6 | Confident | 172 Ų | 172 | 94.6 Ų | 94.6 | 80% | 0.804 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -25.8 | -176.8 | -65.6 | -162.3 | 139.2 | 0 | 0 | 112.7 | C782 E794 | C782-E791 VanDerWaalsContact CB-O 3.32Å; C782-E791 WeakPolarHBondContact CB-O 3.43Å; C782-E791 PolarHBondContact SG-O 3.04Å; E791-E794 PolarHBondContact N-OE2 2.89Å |
| 792 | L | 80.8 | Confident | 69.6 | Low | 72 Ų | 72 | 92.3 Ų | 92.3 | 38% | 0.377 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 16.1 | 174.7 | -51.9 | -178.8 | 0 | 0 | 0 | 111.4 | P766 G768 F780 G790 E794 | P766-L792 HydrophobicContact CB-CD2 4.48Å; G768-L792 WeakPolarHBondContact CA-O 3.06Å; G768-L792 PolarHBondContact N-O 2.91Å; F780-L792 HydrophobicContact CE2-CD2 3.71Å; F780-L792 HydrophobicContact CZ-CD2 3.6Å; G790-L792 PolarHBondContact O-N 3.49Å; L792-E794 VanDerWaalsContact C-OE2 3.28Å; L792-E794 VanDerWaalsContact CA-OE2 3.31Å; L792-E794 WeakPolarHBondContact CA-OE2 3.4Å; L792-E794 WeakPolarHBondContact CB-OE2 3.28Å; L792-E794 PolarHBondContact N-OE2 3.44Å; L792-E794 PolarHBondContact O-N 2.8Å |
| 793 | C | 82.9 | Confident | 67.7 | Low | 0 Ų | 0 | 98.5 Ų | 98.5 | 0% | 0 | 54% | 0.538 | C | S | . | . | S | Bend | trans | 56.6 | 24.8 | -172.7 | -52.5 | 0 | 0 | 0 | 0 | 114.5 | G768 N769 C782 C784 F788 T789 G790 N795 | G768-C793 WeakPolarHBondContact O-CB 3.4Å; N769-C793 PolarHBondContact ND2-O 3.4Å; C782-C793 WeakPolarHBondContact CB-SG 3.45Å; C784-C793 WeakPolarHBondContact CA-SG 3.03Å; C784-C793 HydrophobicContact CB-CB 3.72Å; C784-C793 WeakPolarHBondContact CB-SG 3.29Å; C784-C793 WeakPolarHBondContact SG-CA 3.03Å; C784-C793 WeakPolarHBondContact SG-CB 3.44Å; C784-C793 CovalentContact SG-SG 2.03Å; C784-C793 PolarHBondContact SG-SG 3.06Å; F788-C793 HydrophobicContact CB-CB 4.27Å; T789-C793 CarbonylContact O-C 3.54Å; T789-C793 VanDerWaalsContact O-C 3.23Å; T789-C793 WeakPolarHBondContact O-CA 3.29Å; G790-C793 PolarHBondContact O-N 3.08Å; C793-N795 VanDerWaalsContact C-N 3.34Å; C793-N795 PolarHBondContact O-N 3.2Å |
| 794 | E | 81.3 | Confident | 65.2 | Low | 98 Ų | 98 | 103.2 Ų | 103.2 | 46% | 0.458 | 56% | 0.561 | S | S | . | * | trans | -71.3 | -23 | -170.6 | 70.1 | -71.5 | 168.6 | 0 | 0 | 114.3 | T789 G790 E791 L792 | T789-E794 PolarHBondContact O-N 3.27Å; G790-E794 VanDerWaalsContact CA-OE1 3.28Å; G790-E794 WeakPolarHBondContact CA-OE1 3.43Å; G790-E794 WeakPolarHBondContact CA-OE2 3.32Å; E791-E794 PolarHBondContact N-OE2 2.89Å; L792-E794 VanDerWaalsContact C-OE2 3.28Å; L792-E794 VanDerWaalsContact CA-OE2 3.31Å; L792-E794 WeakPolarHBondContact CA-OE2 3.4Å; L792-E794 WeakPolarHBondContact CB-OE2 3.28Å; L792-E794 PolarHBondContact N-OE2 3.44Å; L792-E794 PolarHBondContact O-N 2.8Å | ||
| 795 | N | 80.3 | Confident | 62.9 | Low | 80 Ų | 80 | 109.2 Ų | 109.2 | 43% | 0.428 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 120.9 | -175.5 | -50 | -81 | 0 | 0 | 0 | 111.2 | F788 T789 G790 C793 | F788-N795 CarbonylContact C-O 3.58Å; F788-N795 WeakPolarHBondContact CA-O 3.04Å; T789-N795 PolarHBondContact N-O 2.89Å; T789-N795 WeakPolarHBondContact O-CA 3.22Å; T789-N795 WeakPolarHBondContact O-CB 3.32Å; T789-N795 PolarHBondContact O-N 3Å; T789-N795 PolarHBondContact O-ND2 3.01Å; T789-N795 VanDerWaalsContact O-ND2 3.13Å; G790-N795 WeakPolarHBondContact CA-ND2 3.18Å; C793-N795 VanDerWaalsContact C-N 3.34Å; C793-N795 PolarHBondContact O-N 3.2Å |
| 796 | A | 68.7 | Low | 60.6 | Low | 52 Ų | 52 | 111.8 Ų | 111.8 | 43% | 0.43 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.3 | 129.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F788 H798 | F788-A796 HydrophobicContact CD1-CB 4.13Å; F788-A796 HydrophobicContact CE1-CB 3.91Å; A796-H798 VanDerWaalsContact C-N 3.32Å; A796-H798 PolarHBondContact O-N 3.49Å |
| 797 | L | 66.2 | Low | 58.5 | Low | 107 Ų | 107 | 111.7 Ų | 111.7 | 56% | 0.56 | 59% | 0.591 | S | S | * | * | trans | -70.8 | 85.5 | 172.1 | -75.4 | 172.6 | 0 | 0 | 0 | 110.4 | G787 T789 G799 | G787-L797 WeakPolarHBondContact O-CB 3.27Å; G787-L797 PolarHBondContact O-N 3.08Å; T789-L797 HydrophobicContact CG2-CD1 3.82Å; T789-L797 HydrophobicContact CG2-CD2 3.9Å; T789-L797 HydrophobicContact CG2-CG 3.84Å; L797-G799 PolarHBondContact O-N 3.42Å | ||
| 798 | H | 53.7 | Low | 56.4 | Low | 188 Ų | 188 | 114.8 Ų | 114.8 | 87% | 0.87 | 61% | 0.608 | S | S | * | * | trans | -62.9 | 92.4 | 173.5 | -86.9 | -79.2 | 0 | 0 | 0 | 112.1 | A796 | A796-H798 VanDerWaalsContact C-N 3.32Å; A796-H798 PolarHBondContact O-N 3.49Å | ||
| 799 | G | 39.8 | Very low | 54.1 | Low | 55 Ų | 55 | 119 Ų | 119 | 57% | 0.567 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 127.5 | 72.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | L797 | L797-G799 PolarHBondContact O-N 3.42Š|
| 800 | K | 34.9 | Very low | 51.9 | Low | 207 Ų | 207 | 120.4 Ų | 120.4 | 90% | 0.9 | 64% | 0.643 | S | S | * | * | trans | 179.9 | 138.5 | 130.6 | -92.3 | 142.8 | -157 | 169.6 | 0 | 111.7 | ||||
| 801 | R | 30.8 | Very low | 49.8 | Very low | 242 Ų | 242 | 126.6 Ų | 126.6 | 91% | 0.913 | 66% | 0.661 | S | S | * | * | trans | -86.5 | 139.9 | 154 | -63.1 | -175.9 | -127.5 | 174.5 | 0.9 | 107.7 | ||||
| 802 | P | 35.8 | Very low | 47.6 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 73% | 0.734 | 65% | 0.65 | S | S | * | * | -125.7 | 149.9 | 95.8 | 3.8 | 18.8 | 0 | 0 | 0 | 111.8 | |||||
| 803 | V | 38.3 | Very low | 45.4 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | 70.8 | 134.5 | 73.4 | -176.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 804 | E | 31.4 | Very low | 43.1 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | trans | -74.6 | 153.2 | -163.7 | -59.4 | 153.9 | 161.3 | 0 | 0 | 114.5 | ||||
| 805 | N | 33.3 | Very low | 41 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | trans | -161.5 | 127.8 | 135.9 | -99.8 | -35.2 | 0 | 0 | 0 | 111 | ||||
| 806 | F | 32.1 | Very low | 39 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | trans | -79 | 177.9 | 164 | -79.8 | -95.9 | 0 | 0 | 0 | 109.7 | ||||
| 807 | P | 34.8 | Very low | 37.5 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | cis | -137.3 | 169.9 | 7.8 | 44.3 | -27.7 | 0 | 0 | 0 | 117.4 | ||||
| 808 | S | 34 | Very low | 36.1 | Very low | 97 Ų | 97 | 145.9 Ų | 145.9 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | 31 | 123.5 | 142.9 | 66.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 809 | N | 33.2 | Very low | 35.3 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | 56.8 | 160.7 | 112.3 | -132.1 | 25.1 | 0 | 0 | 0 | 120 | |||||
| 810 | P | 38.7 | Very low | 35.2 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 57% | 0.571 | 77% | 0.768 | S | S | * | * | cis | -129.9 | 175.5 | -13.3 | 14.9 | 11.2 | 0 | 0 | 0 | 115.3 | ||||
| 811 | K | 34.8 | Very low | 35.4 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | 76.5 | 135.1 | 139.2 | -85 | 172.1 | 151 | -81.2 | 0 | 122.4 | ||||
| 812 | D | 33.6 | Very low | 35.7 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 57% | 0.572 | 74% | 0.743 | S | S | * | * | trans | 67.5 | 118.7 | 134.9 | -48.9 | -14.1 | 0 | 0 | 0 | 120.9 | ||||
| 813 | D | 35.1 | Very low | 35.6 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | 78.5 | 126.8 | 143.7 | -54.9 | -22.5 | 0 | 0 | 0 | 123.7 | ||||
| 814 | E | 34.4 | Very low | 35.5 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | trans | 60.9 | 115.4 | 149.4 | -60.8 | -172.7 | 151 | 0 | 0 | 123.2 | ||||
| 815 | V | 36.3 | Very low | 35.7 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | 43.3 | 116.9 | 127.3 | -173.3 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 816 | P | 40.1 | Very low | 35.6 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | -154 | -165.9 | 87.1 | 43 | -23.3 | 0 | 0 | 0 | 117.9 | |||||
| 817 | Y | 36.4 | Very low | 35.8 | Very low | 212 Ų | 212 | 137.6 Ų | 137.6 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | trans | -95.1 | 158.2 | -166.1 | -171 | -111.8 | 0 | 0 | 0 | 113.5 | ||||
| 818 | S | 35.6 | Very low | 35.7 | Very low | 79 Ų | 79 | 143 Ų | 143 | 55% | 0.552 | 74% | 0.741 | S | S | * | * | trans | 59.6 | 127 | 154.6 | 63.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 819 | D | 37.6 | Very low | 35.6 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | 82.2 | 102 | 126.5 | -61.4 | -0.7 | 0 | 0 | 0 | 123.6 | |||||
| 820 | D | 38.1 | Very low | 35.6 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | 113.2 | 132.3 | 112.2 | -141.9 | 24.7 | 0 | 0 | 0 | 123.8 | |||||
| 821 | H | 39.6 | Very low | 35.4 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 59% | 0.588 | 75% | 0.75 | S | S | * | * | trans | 58.7 | 115.9 | 147.6 | -84.3 | 11.2 | 0 | 0 | 0 | 126.7 | ||||
| 822 | K | 37 | Very low | 35.4 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | 82.4 | 85 | 122.6 | -67.8 | 169.2 | 176.6 | 157.2 | 0 | 123.9 | |||||
| 823 | S | 33.5 | Very low | 35.6 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | 59.7 | 155.8 | 109.1 | 74.1 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 824 | K | 36.5 | Very low | 35.6 | Very low | 211 Ų | 211 | 143.5 Ų | 143.5 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | trans | 95.2 | 145.7 | -179.7 | -57 | 161.3 | -174.9 | 171.4 | 0 | 114 | ||||
| 825 | G | 34.6 | Very low | 35.7 | Very low | 78 Ų | 78 | 144.2 Ų | 144.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | cis | 130.4 | 144.8 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 826 | Q | 31.9 | Very low | 36.1 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | cis | -174.2 | 166.4 | -0.1 | -167.1 | -159.7 | 45.9 | 0 | 0 | 109.7 | ||||
| 827 | K | 36.1 | Very low | 36.1 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 86.2 | 157.1 | 164.4 | -49.5 | 168.8 | -178.2 | 169.5 | 0 | 116.4 | ||||
| 828 | R | 32.1 | Very low | 36.1 | Very low | 217 Ų | 217 | 139.8 Ų | 139.8 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | cis | -164.9 | 160.9 | -6.1 | -133.6 | -172.1 | 168.8 | 165.2 | -3.1 | 112.5 | ||||
| 829 | S | 32.2 | Very low | 36.4 | Very low | 86 Ų | 86 | 143.7 Ų | 143.7 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | trans | 60.4 | 148.4 | 133 | -163 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 830 | E | 33.5 | Very low | 36.6 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | cis | -178.9 | 160.9 | -31.1 | -100.8 | 152.1 | 127.8 | 0 | 0 | 108.6 | ||||
| 831 | K | 35.2 | Very low | 36.7 | Very low | 214 Ų | 214 | 140.1 Ų | 140.1 | 93% | 0.93 | 75% | 0.754 | S | S | * | * | trans | 132.9 | 137.4 | 145.9 | -73.8 | 166.2 | -178.5 | 178.2 | 0 | 115.2 | ||||
| 832 | G | 34.6 | Very low | 37 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | 158.6 | 86.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 833 | I | 36.9 | Very low | 37.4 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 9 | 124.2 | 146.4 | -56 | 151.9 | 0 | 0 | 0 | 116.9 | F835 | I833-F835 HydrophobicContact CG2-CD2 3.8Å; I833-F835 HydrophobicContact CG2-CE2 3.75Å | ||
| 834 | A | 34.5 | Very low | 37.9 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | cis | 87.1 | 83.8 | 28.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 835 | F | 37.2 | Very low | 38.5 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -158.9 | 160.6 | 163.1 | -81.5 | -86.2 | 0 | 0 | 0 | 109.2 | I833 | I833-F835 HydrophobicContact CG2-CD2 3.8Å; I833-F835 HydrophobicContact CG2-CE2 3.75Å | ||
| 836 | S | 44.4 | Very low | 39.2 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 52% | 0.524 | 73% | 0.728 | S | S | . | * | cis | -175.8 | 138.8 | -35.3 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 837 | Y | 40.2 | Very low | 40.3 | Very low | 219 Ų | 219 | 130.4 Ų | 130.4 | 86% | 0.859 | 72% | 0.718 | S | S | * | * | trans | 65.9 | 137.1 | 170.8 | -50.3 | -69.6 | 0 | 0 | 0 | 116.5 | ||||
| 838 | A | 36.9 | Very low | 41 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 72% | 0.719 | 71% | 0.71 | S | S | * | * | cis | 82.6 | 77.7 | 36.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 839 | I | 42.5 | Very low | 41.9 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 83% | 0.831 | 70% | 0.696 | S | S | * | * | trans | -160.7 | 164.1 | 163.3 | -101.7 | 149.9 | 0 | 0 | 0 | 107.5 | ||||
| 840 | I | 41.1 | Very low | 42.9 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | trans | 70.2 | 35.4 | -173.8 | -26.9 | -174.4 | 0 | 0 | 0 | 116.1 | L842 V843 | I840-L842 PolarHBondContact O-N 3.08Å; I840-V843 HydrophobicContact CG2-CB 4.19Å; I840-V843 HydrophobicContact CG2-CG2 3.81Å | ||
| 841 | G | 41.1 | Very low | 43.9 | Very low | 77 Ų | 77 | 118.1 Ų | 118.1 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | trans | -88 | 72.8 | 152 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 842 | L | 44 | Very low | 44.6 | Very low | 136 Ų | 136 | 113.8 Ų | 113.8 | 71% | 0.712 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -168.8 | -14.4 | 175.2 | -115.7 | 160.9 | 0 | 0 | 0 | 117.4 | I840 | I840-L842 PolarHBondContact O-N 3.08Š|
| 843 | V | 46.6 | Very low | 45.4 | Very low | 90 Ų | 90 | 116 Ų | 116 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -98.9 | -32.3 | -164.2 | -177.8 | 0 | 0 | 0 | 0 | 114.4 | I840 T845 I846 | I840-V843 HydrophobicContact CG2-CB 4.19Å; I840-V843 HydrophobicContact CG2-CG2 3.81Å; V843-T845 VanDerWaalsContact C-N 3.33Å; V843-T845 PolarHBondContact O-N 3.33Å; V843-I846 PolarHBondContact O-N 3.36Å |
| 844 | V | 44.6 | Very low | 46.2 | Very low | 123 Ų | 123 | 115.3 Ų | 115.3 | 75% | 0.745 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.6 | -20.3 | -171.9 | -175.5 | 0 | 0 | 0 | 0 | 113.1 | I846 | V844-I846 PolarHBondContact O-N 3.22Å |
| 845 | T | 48.1 | Very low | 47 | Very low | 109 Ų | 109 | 116.4 Ų | 116.4 | 67% | 0.669 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.3 | -10.8 | 176.6 | 41.8 | 0 | 0 | 0 | 0 | 114.3 | V843 | V843-T845 VanDerWaalsContact C-N 3.33Å; V843-T845 PolarHBondContact O-N 3.33Å |
| 846 | I | 50 | Low | 47.5 | Very low | 99 Ų | 99 | 109.6 Ų | 109.6 | 51% | 0.508 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -95.1 | -34.1 | -175.2 | -64 | 175.6 | 0 | 0 | 0 | 112 | V843 V844 V848 C849 L850 | V843-I846 PolarHBondContact O-N 3.36Å; V844-I846 PolarHBondContact O-N 3.22Å; I846-V848 VanDerWaalsContact C-N 3.34Å; I846-V848 PolarHBondContact O-N 2.91Å; I846-C849 PolarHBondContact O-N 3.31Å; I846-L850 HydrophobicContact CG2-CD1 4.25Å; I846-L850 PolarHBondContact O-N 2.82Å |
| 847 | S | 53.9 | Low | 47.6 | Very low | 77 Ų | 77 | 116.5 Ų | 116.5 | 54% | 0.538 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -66.1 | -31.2 | -175.7 | -55.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 848 | V | 51.6 | Low | 47.6 | Very low | 98 Ų | 98 | 110.8 Ų | 110.8 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.2 | -36.6 | -178.9 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | I846 | I846-V848 VanDerWaalsContact C-N 3.34Å; I846-V848 PolarHBondContact O-N 2.91Å |
| 849 | C | 49.9 | Very low | 47.7 | Very low | 78 Ų | 78 | 111.2 Ų | 111.2 | 53% | 0.527 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70.1 | -33.7 | 177.8 | -65.9 | 0 | 0 | 0 | 0 | 112.9 | I846 L853 | I846-C849 PolarHBondContact O-N 3.31Å; C849-L853 WeakPolarHBondContact O-CG 3.37Å; C849-L853 PolarHBondContact O-N 2.76Å; C849-L853 VanDerWaalsContact O-N 3.14Å |
| 850 | L | 53.1 | Low | 47.4 | Very low | 98 Ų | 98 | 109.3 Ų | 109.3 | 51% | 0.513 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -69.7 | -34.7 | -177.8 | -100.5 | 162.2 | 0 | 0 | 0 | 113.7 | I846 L854 | I846-L850 HydrophobicContact CG2-CD1 4.25Å; I846-L850 PolarHBondContact O-N 2.82Å; L850-L854 WeakPolarHBondContact O-CG 3.42Å; L850-L854 PolarHBondContact O-N 3.34Å |
| 851 | V | 55.2 | Low | 47.3 | Very low | 98 Ų | 98 | 110.8 Ų | 110.8 | 59% | 0.594 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69.4 | -42.6 | 176.6 | 179 | 0 | 0 | 0 | 0 | 111 | L853 L854 V855 | V851-L853 VanDerWaalsContact C-N 3.31Å; V851-L853 PolarHBondContact O-N 2.75Å; V851-L854 PolarHBondContact O-N 3.37Å; V851-V855 PolarHBondContact O-N 3.14Å |
| 852 | L | 51.2 | Low | 47 | Very low | 124 Ų | 124 | 115.2 Ų | 115.2 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -64.2 | -33.9 | 177.2 | -69.8 | 169.7 | 0 | 0 | 0 | 112.7 | L854 G856 | L852-L854 VanDerWaalsContact C-N 3.32Å; L852-L854 PolarHBondContact O-N 3.27Å; L852-G856 PolarHBondContact O-N 3.19Å |
| 853 | L | 51.5 | Low | 46.5 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 62% | 0.623 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.7 | -19.1 | 176.9 | -75.8 | 169.3 | 0 | 0 | 0 | 114.6 | C849 V851 | C849-L853 WeakPolarHBondContact O-CG 3.37Å; C849-L853 PolarHBondContact O-N 2.76Å; C849-L853 VanDerWaalsContact O-N 3.14Å; V851-L853 VanDerWaalsContact C-N 3.31Å; V851-L853 PolarHBondContact O-N 2.75Å |
| 854 | L | 52.2 | Low | 46 | Very low | 133 Ų | 133 | 121.1 Ų | 121.1 | 70% | 0.696 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -95 | -34.7 | 179.1 | -70 | 173.3 | 0 | 0 | 0 | 113 | L850 V851 L852 | L850-L854 WeakPolarHBondContact O-CG 3.42Å; L850-L854 PolarHBondContact O-N 3.34Å; V851-L854 PolarHBondContact O-N 3.37Å; L852-L854 VanDerWaalsContact C-N 3.32Å; L852-L854 PolarHBondContact O-N 3.27Å |
| 855 | V | 51.5 | Low | 45.7 | Very low | 115 Ų | 115 | 121.1 Ų | 121.1 | 70% | 0.697 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -72.6 | -31.5 | 172.3 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | V851 R857 | V851-V855 PolarHBondContact O-N 3.14Å; V855-R857 PolarHBondContact O-N 3.28Å |
| 856 | G | 47.7 | Very low | 45.2 | Very low | 50 Ų | 50 | 122.4 Ų | 122.4 | 52% | 0.515 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | 7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | L852 | L852-G856 PolarHBondContact O-N 3.19Š|
| 857 | R | 46.3 | Very low | 44.5 | Very low | 220 Ų | 220 | 125.3 Ų | 125.3 | 83% | 0.83 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 1.3 | -176 | -80.2 | -173.4 | 166.3 | -166.7 | -3.9 | 116.1 | V855 | V855-R857 PolarHBondContact O-N 3.28Š|
| 858 | A | 40.6 | Very low | 43.7 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -97.9 | -8.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 859 | A | 38.3 | Very low | 42.9 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -106.8 | 0.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 860 | T | 37.7 | Very low | 42.2 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | trans | -121.7 | 44.4 | -162.5 | -17.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 861 | L | 37.8 | Very low | 41.5 | Very low | 165 Ų | 165 | 138.6 Ų | 138.6 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -147.6 | 46.2 | 179.8 | -123 | 175.7 | 0 | 0 | 0 | 114.4 | ||
| 862 | L | 36.3 | Very low | 40.7 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -165.5 | 110.3 | 162.5 | -109.6 | 163.7 | 0 | 0 | 0 | 111.3 | ||
| 863 | R | 32.5 | Very low | 40.1 | Very low | 253 Ų | 253 | 138.4 Ų | 138.4 | 96% | 0.955 | 77% | 0.765 | S | S | * | * | trans | 117.8 | 81.3 | 172.3 | -67.8 | 171.7 | -168.8 | -159.4 | 4.8 | 114.9 | ||||
| 864 | A | 36.2 | Very low | 39.5 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -163.1 | 52.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 865 | T | 38.9 | Very low | 38.8 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -170 | 126.9 | 170 | 43.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 866 | D | 36 | Very low | 38.2 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | cis | -136.8 | 153.1 | -4.2 | -65.3 | -55.4 | 0 | 0 | 0 | 106.3 | ||||
| 867 | K | 36.1 | Very low | 37.6 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | cis | 73.7 | 126.5 | 48.4 | -145.1 | -178 | 179.4 | -80.6 | 0 | 112.5 | ||||
| 868 | E | 36.6 | Very low | 37.1 | Very low | 142 Ų | 142 | 141 Ų | 141 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | trans | 61.8 | 145.2 | -178.9 | -79.7 | 111.2 | -122.1 | 0 | 0 | 116.5 | ||||
| 869 | E | 35.6 | Very low | 36.9 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -153.2 | 169.7 | -10.1 | -136.3 | 173.9 | 178.2 | 0 | 0 | 110.5 | ||||
| 870 | E | 35.1 | Very low | 36.8 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -82.1 | 125.9 | 170.8 | -66.8 | -176.1 | 110.6 | 0 | 0 | 111.3 | ||||
| 871 | T | 37.6 | Very low | 36.8 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -163.1 | 114.1 | 151.9 | 1.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 872 | S | 39.3 | Very low | 36.7 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | 40.2 | 115.4 | 149.1 | 61.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 873 | S | 37.6 | Very low | 36.7 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 73.9 | 145.7 | 138.1 | -52.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 874 | P | 39.1 | Very low | 37.1 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | cis | -112.9 | 0 | -23.9 | 38.9 | -27.4 | 0 | 0 | 0 | 113.7 | R21 L22 | R21-P874 PolarHBondContact NH1-O 3.44Å; L22-P874 HydrophobicContact CD2-CB 4.18Å |
Retrieved 874 of 874 residues in 200 ms
(Link to these results)