| 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 | 35.1 | Very low | 36 | Very low | 240 Ų | 240 | 136.6 Ų | 136.6 | 100% | 1.182 | 79% | 0.786 | S | S | * | * | 0 | 98.3 | 0 | -62.8 | 163.3 | -180 | 0 | 0 | 104.6 | |||||
| 2 | A | 30.5 | Very low | 35.5 | Very low | 86 Ų | 86 | 139.7 Ų | 139.7 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | 66.7 | 133.7 | 53.1 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 3 | D | 31.2 | Very low | 35 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | cis | -166.3 | 161.3 | 3.8 | -114.9 | -25.8 | 0 | 0 | 0 | 108.7 | ||||
| 4 | R | 31.8 | Very low | 34.4 | Very low | 203 Ų | 203 | 141.2 Ų | 141.2 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | cis | -162.5 | 173.1 | -11.1 | -152.9 | -179.6 | -65.6 | 151 | 4.7 | 110 | ||||
| 5 | T | 38.7 | Very low | 34.5 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | trans | -100.2 | -169.7 | 160.4 | 61.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 6 | P | 49.3 | Very low | 35 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -132.5 | -115 | 1.2 | 28.5 | 1 | 0 | 0 | 0 | 115.5 | ||||
| 7 | P | 62.8 | Low | 34.6 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | -139.2 | -166.2 | -128 | 46.2 | -24.3 | 0 | 0 | 0 | 116.9 | |||||
| 8 | L | 28.5 | Very low | 34.6 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -169.3 | 135.4 | 144.6 | -95.1 | 140.7 | 0 | 0 | 0 | 106.2 | ||||
| 9 | E | 30.9 | Very low | 35.1 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | 64.6 | 137.4 | 45.6 | -76.4 | -169.7 | -179.8 | 0 | 0 | 114.7 | ||||
| 10 | S | 29.8 | Very low | 34.9 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -160.5 | 172.1 | -7.4 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 11 | G | 27.3 | Very low | 34.6 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | 168.6 | 127.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 12 | Q | 29.5 | Very low | 34.3 | Very low | 173 Ų | 173 | 132.2 Ų | 132.2 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | -146.6 | 155.3 | -167.7 | -137 | -166.5 | 5.7 | 0 | 0 | 113.1 | ||||
| 13 | L | 29.3 | Very low | 34.4 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | 63.9 | 120.6 | 159.5 | -59.7 | 166 | 0 | 0 | 0 | 118.9 | ||||
| 14 | L | 27.1 | Very low | 35.5 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | -178.7 | 147 | 95.5 | -92.2 | 173 | 0 | 0 | 0 | 112.2 | |||||
| 15 | S | 35.1 | Very low | 35.7 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | -110.7 | 163.2 | 165 | -51.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 16 | P | 43.6 | Very low | 35.8 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | -153.5 | 159.9 | 91.5 | 38.9 | -19.7 | 0 | 0 | 0 | 118.2 | |||||
| 17 | E | 28.1 | Very low | 36 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | 45.6 | 117 | 137.8 | -60.7 | 176.2 | 117 | 0 | 0 | 124.1 | ||||
| 18 | L | 33.9 | Very low | 34.4 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | 38.2 | 149.4 | 109.2 | -67.7 | 171.5 | 0 | 0 | 0 | 120.3 | |||||
| 19 | P | 43.9 | Very low | 34.4 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | cis | -156.2 | 153.5 | 44.4 | 43.5 | -21.3 | 0 | 0 | 0 | 121.9 | ||||
| 20 | I | 30.7 | Very low | 34.4 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | 72.6 | 129.5 | 126.8 | -65.8 | 173.5 | 0 | 0 | 0 | 124.9 | |||||
| 21 | L | 30.1 | Very low | 34.4 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 50.9 | 123.9 | 151.6 | -78.9 | 164.9 | 0 | 0 | 0 | 124.5 | ||||
| 22 | A | 28.8 | Very low | 34.6 | Very low | 97 Ų | 97 | 132 Ų | 132 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | -163.4 | 157.3 | 124.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 23 | S | 31 | Very low | 34.9 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -135.3 | -174.2 | 179.1 | -43.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 24 | P | 55.9 | Low | 34.9 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | -86.5 | 174.2 | -127.4 | 43.7 | -39.6 | 0 | 0 | 0 | 116.1 | |||||
| 25 | P | 34.6 | Very low | 35.5 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | -145.5 | 170.7 | 100.5 | 38.7 | -23.5 | 0 | 0 | 0 | 116.3 | |||||
| 26 | P | 40.8 | Very low | 35.3 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -105.5 | -168.8 | 176.4 | 41.7 | -34.7 | 0 | 0 | 0 | 113 | ||||
| 27 | P | 54.4 | Low | 34.6 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | cis | -127.3 | 176.7 | -48.8 | 36.5 | -21.3 | 0 | 0 | 0 | 112.9 | ||||
| 28 | A | 28.3 | Very low | 34.7 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -152.9 | 153.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 29 | M | 29.1 | Very low | 34.5 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -104.1 | 158.4 | 174.1 | -66.4 | 179 | 170.8 | 0 | 0 | 111.6 | ||||
| 30 | V | 31.4 | Very low | 33.7 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | -174.8 | 154 | 126.5 | 142.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 31 | N | 30.4 | Very low | 33.7 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -62.1 | 159.8 | -170.1 | -51.7 | -20.2 | 0 | 0 | 0 | 116.3 | ||||
| 32 | G | 30.2 | Very low | 33.7 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -169.3 | 117.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 33 | E | 36 | Very low | 33.9 | Very low | 207 Ų | 207 | 133.9 Ų | 133.9 | 97% | 0.967 | 79% | 0.791 | S | S | * | * | trans | -82.3 | 147.5 | 177.8 | -65 | 179.6 | 122 | 0 | 0 | 111.9 | ||||
| 34 | G | 30 | Very low | 34 | Very low | 65 Ų | 65 | 133.9 Ų | 133.9 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | -121 | 145.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 35 | P | 39.6 | Very low | 32.7 | Very low | 130 Ų | 130 | 135 Ų | 135 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 139.1 | -165.4 | 30 | -35.8 | 0 | 0 | 0 | 114 | ||
| 36 | Q | 30.5 | Very low | 33.1 | Very low | 183 Ų | 183 | 133.1 Ų | 133.1 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 131.3 | 166.5 | -64.3 | 176.9 | -6.3 | 0 | 0 | 110.3 | ||
| 37 | Q | 29.3 | Very low | 32.8 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 120.9 | 167.3 | -76.7 | -169.1 | -11 | 0 | 0 | 110.5 | ||
| 38 | V | 29.9 | Very low | 32 | Very low | 119 Ų | 119 | 133 Ų | 133 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 119 | 169.9 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | L40 | V38-L40 HydrophobicContact CG1-CG 4.41Š|
| 39 | I | 29.8 | Very low | 32.6 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | trans | -99.4 | 111.3 | 174.5 | -56.5 | 179.7 | 0 | 0 | 0 | 108.6 | V41 | I39-V41 HydrophobicContact CG2-CG2 4.03Š| ||
| 40 | L | 27.3 | Very low | 33 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 86% | 0.859 | 75% | 0.75 | S | S | * | * | trans | -94.6 | 125.1 | 171.6 | -81.4 | 158 | 0 | 0 | 0 | 109.6 | V38 | V38-L40 HydrophobicContact CG1-CG 4.41Š| ||
| 41 | V | 29.7 | Very low | 33.6 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 66% | 0.661 | 74% | 0.738 | S | S | * | * | trans | -125 | 125.3 | 171.5 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | I39 V43 | I39-V41 HydrophobicContact CG2-CG2 4.03Å; V41-V43 HydrophobicContact CG1-CG2 3.93Å | ||
| 42 | Q | 31.8 | Very low | 34 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -103.4 | 124.5 | 173.4 | -178.7 | 175.4 | -18.1 | 0 | 0 | 108.5 | ||||
| 43 | V | 31.9 | Very low | 34.7 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 46% | 0.461 | 72% | 0.722 | S | S | . | * | trans | -119.9 | 128.3 | -177.3 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | V41 F49 | V41-V43 HydrophobicContact CG1-CG2 3.93Å; V43-F49 HydrophobicContact CG1-CD1 4.35Å; V43-F49 HydrophobicContact CG2-CD1 4.17Å; V43-F49 HydrophobicContact CG2-CE1 4.41Å | ||
| 44 | N | 34 | Very low | 34.9 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 58% | 0.578 | 72% | 0.722 | S | S | * | * | trans | -92.2 | 157 | 174.9 | -68.8 | -36.1 | 0 | 0 | 0 | 110.7 | G46 | N44-G46 PolarHBondContact O-N 2.86Š| ||
| 45 | P | 28 | Very low | 35.4 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 90% | 0.903 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 115.5 | -173.7 | -18.4 | 32.4 | 0 | 0 | 0 | 112.7 | ||
| 46 | G | 42 | Very low | 35.5 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 85% | 0.845 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.2 | -17.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | N44 | N44-G46 PolarHBondContact O-N 2.86Š|
| 47 | E | 35.2 | Very low | 35.7 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 76% | 0.757 | 69% | 0.685 | S | S | * | * | trans | -101.2 | 149.3 | -176 | -64.3 | -174 | 137.4 | 0 | 0 | 113.1 | ||||
| 48 | A | 37.9 | Very low | 36 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 65% | 0.645 | 67% | 0.674 | S | S | * | * | trans | -93.6 | 138.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 49 | F | 41.7 | Very low | 36.4 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 56% | 0.557 | 67% | 0.672 | S | S | * | * | trans | -116.7 | 164.6 | 176.7 | 64.8 | -91.8 | 0 | 0 | 0 | 111.5 | V43 I51 | V43-F49 HydrophobicContact CG1-CD1 4.35Å; V43-F49 HydrophobicContact CG2-CD1 4.17Å; V43-F49 HydrophobicContact CG2-CE1 4.41Å; F49-I51 HydrophobicContact CD2-CD1 4.44Å; F49-I51 HydrophobicContact CD2-CG1 4.12Å; F49-I51 HydrophobicContact CE2-CD1 3.95Å; F49-I51 HydrophobicContact CE2-CG1 4.1Å | ||
| 50 | T | 36.4 | Very low | 36.5 | Very low | 80 Ų | 80 | 126 Ų | 126 | 49% | 0.491 | 67% | 0.665 | S | S | . | * | trans | -131.6 | 132.4 | 179.7 | -42.4 | 0 | 0 | 0 | 0 | 109.4 | F58 | T50-F58 HydrophobicContact CG2-CB 4.1Å; T50-F58 HydrophobicContact CG2-CD1 3.93Å | ||
| 51 | I | 44.7 | Very low | 37 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 62% | 0.615 | 66% | 0.658 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.5 | 173.5 | -61.6 | 178.4 | 0 | 0 | 0 | 108.2 | F49 | F49-I51 HydrophobicContact CD2-CD1 4.44Å; F49-I51 HydrophobicContact CD2-CG1 4.12Å; F49-I51 HydrophobicContact CE2-CD1 3.95Å; F49-I51 HydrophobicContact CE2-CG1 4.1Å |
| 52 | R | 37.5 | Very low | 37.1 | Very low | 171 Ų | 171 | 125.3 Ų | 125.3 | 65% | 0.645 | 66% | 0.662 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.1 | 134.1 | 171.3 | 174.2 | 176.8 | 169.8 | -178 | -0.1 | 109.2 | F58 | R52-F58 HydrophobicContact CB-CD1 4.16Å; R52-F58 HydrophobicContact CB-CE1 3.83Å; R52-F58 HydrophobicContact CB-CZ 4.38Å; R52-F58 HydrophobicContact CG-CE1 4.29Å; R52-F58 HydrophobicContact CG-CZ 4.36Å |
| 53 | R | 45.8 | Very low | 37.1 | Very low | 181 Ų | 181 | 120.5 Ų | 120.5 | 68% | 0.683 | 66% | 0.66 | S | S | * | * | trans | -91.9 | 166.8 | 170 | -78.1 | -176.5 | 170.6 | -167.1 | -3.3 | 111.5 | D55 G56 Q57 | R53-D55 WeakPolarHBondContact CB-OD1 3.29Å; R53-D55 PolarHBondContact O-N 2.77Å; R53-G56 PolarHBondContact O-N 3.3Å; R53-Q57 PolarHBondContact N-O 2.81Å | ||
| 54 | E | 39.9 | Very low | 37.5 | Very low | 207 Ų | 207 | 123.3 Ų | 123.3 | 97% | 0.967 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -23.9 | -178.7 | -63.3 | -176.5 | 121.8 | 0 | 0 | 113 | G56 | E54-G56 PolarHBondContact O-N 3.15Š|
| 55 | D | 40.9 | Very low | 37 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -10.1 | 170.2 | 57.9 | 28.2 | 0 | 0 | 0 | 114.3 | R53 Q57 | R53-D55 WeakPolarHBondContact CB-OD1 3.29Å; R53-D55 PolarHBondContact O-N 2.77Å; D55-Q57 PolarHBondContact OD1-N 3.27Å |
| 56 | G | 40.8 | Very low | 37.1 | Very low | 28 Ų | 28 | 125.6 Ų | 125.6 | 29% | 0.289 | 69% | 0.692 | S | S | . | * | S | Bend | trans | 83.7 | 2.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R53 E54 | R53-G56 PolarHBondContact O-N 3.3Å; E54-G56 PolarHBondContact O-N 3.15Å |
| 57 | Q | 34.6 | Very low | 36.4 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | trans | -86 | 157 | 174.8 | -65.5 | -161.8 | 0.8 | 0 | 0 | 112.7 | R53 D55 | R53-Q57 PolarHBondContact N-O 2.81Å; D55-Q57 PolarHBondContact OD1-N 3.27Å | ||
| 58 | F | 37.2 | Very low | 36.2 | Very low | 142 Ų | 142 | 126 Ų | 126 | 62% | 0.623 | 69% | 0.691 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.6 | 133.3 | 178 | -64 | -92.6 | 0 | 0 | 0 | 109.4 | T50 R52 | T50-F58 HydrophobicContact CG2-CB 4.1Å; T50-F58 HydrophobicContact CG2-CD1 3.93Å; R52-F58 HydrophobicContact CB-CD1 4.16Å; R52-F58 HydrophobicContact CB-CE1 3.83Å; R52-F58 HydrophobicContact CB-CZ 4.38Å; R52-F58 HydrophobicContact CG-CE1 4.29Å; R52-F58 HydrophobicContact CG-CZ 4.36Å |
| 59 | Q | 38.1 | Very low | 35.9 | Very low | 145 Ų | 145 | 131 Ų | 131 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.7 | 127.2 | 173.9 | -167.4 | 172.9 | 23.8 | 0 | 0 | 109.8 | ||
| 60 | C | 31.2 | Very low | 35.3 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 60% | 0.595 | 72% | 0.72 | S | S | * | * | trans | -104.5 | 142.1 | 175.9 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 61 | I | 37.2 | Very low | 35 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -133.4 | 128.8 | 178.1 | -56.5 | 178.7 | 0 | 0 | 0 | 108.1 | ||||
| 62 | T | 32 | Very low | 34.7 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | -139.7 | 129 | -176 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 63 | G | 31.8 | Very low | 34.9 | Very low | 75 Ų | 75 | 132.7 Ų | 132.7 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | trans | 165 | 122.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 64 | P | 39.9 | Very low | 34.7 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | trans | -94.1 | 149.7 | -178.3 | 35.8 | -33.7 | 0 | 0 | 0 | 113.1 | ||||
| 65 | A | 24.4 | Very low | 34.5 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | -147.3 | 131.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 66 | Q | 30.4 | Very low | 34.2 | Very low | 198 Ų | 198 | 122.9 Ų | 122.9 | 93% | 0.925 | 74% | 0.736 | S | S | * | * | trans | -107.2 | 135 | 167.4 | -72.6 | -172.8 | -10.2 | 0 | 0 | 109.5 | ||||
| 67 | V | 27.5 | Very low | 33.9 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | trans | -139.6 | 133.5 | 170.8 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 68 | P | 29.8 | Very low | 34 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | trans | -75.3 | 148.7 | -168.1 | 29 | -36.1 | 0 | 0 | 0 | 113.9 | ||||
| 69 | M | 32 | Very low | 34.3 | Very low | 182 Ų | 182 | 123.9 Ų | 123.9 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | trans | -85.3 | 112.2 | 172.7 | -68.3 | -135.4 | -59.2 | 0 | 0 | 112 | ||||
| 70 | M | 29.3 | Very low | 34.5 | Very low | 188 Ų | 188 | 127 Ų | 127 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | 168 | 146 | 124.8 | -93.9 | -174.5 | 172 | 0 | 0 | 111.1 | |||||
| 71 | S | 30.7 | Very low | 34.9 | Very low | 77 Ų | 77 | 124.7 Ų | 124.7 | 54% | 0.538 | 75% | 0.747 | S | S | . | * | trans | -124.3 | 152.2 | 156.1 | 81.4 | 0 | 0 | 0 | 0 | 108.8 | N73 | S71-N73 PolarHBondContact O-N 2.63Š| ||
| 72 | P | 38.8 | Very low | 34.9 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -9.5 | -167.3 | -18.9 | 33.5 | 0 | 0 | 0 | 115.4 | ||
| 73 | N | 40 | Very low | 35.1 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 5.9 | -161 | -67.6 | 11.7 | 0 | 0 | 0 | 115 | S71 S75 | S71-N73 PolarHBondContact O-N 2.63Å; N73-S75 VanDerWaalsContact C-N 3.27Å; N73-S75 PolarHBondContact O-N 3.41Å; N73-S75 VanDerWaalsContact O-N 3.07Å |
| 74 | G | 42.3 | Very low | 35.6 | Very low | 76 Ų | 76 | 120.1 Ų | 120.1 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | trans | 68.3 | 7.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 75 | S | 35.3 | Very low | 36.1 | Very low | 97 Ų | 97 | 119.3 Ų | 119.3 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -89 | 139 | 176.4 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | N73 | N73-S75 VanDerWaalsContact C-N 3.27Å; N73-S75 PolarHBondContact O-N 3.41Å; N73-S75 VanDerWaalsContact O-N 3.07Å |
| 76 | V | 34.7 | Very low | 37.7 | Very low | 120 Ų | 120 | 118 Ų | 118 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 142.6 | -179.7 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 77 | P | 34.8 | Very low | 38.7 | Very low | 103 Ų | 103 | 111.5 Ų | 111.5 | 67% | 0.669 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 152.1 | 173.6 | -21.7 | 33.7 | 0 | 0 | 0 | 112.9 | ||
| 78 | P | 36.8 | Very low | 39.6 | Very low | 130 Ų | 130 | 110.8 Ų | 110.8 | 84% | 0.844 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 136.7 | 175.7 | 28.7 | -34.5 | 0 | 0 | 0 | 111.5 | ||
| 79 | I | 42.8 | Very low | 40.4 | Very low | 108 Ų | 108 | 110.4 Ų | 110.4 | 55% | 0.554 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 130.8 | 172.8 | -60.5 | 174.7 | 0 | 0 | 0 | 108.4 | V81 V98 | I79-V81 HydrophobicContact CG2-CG2 4.49Å; I79-V98 HydrophobicContact CD1-CG1 4.25Å; I79-V98 HydrophobicContact CD1-CG2 3.98Å |
| 80 | Y | 42.7 | Very low | 41 | Very low | 212 Ų | 212 | 105 Ų | 105 | 83% | 0.831 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 122.6 | 175.6 | -166.8 | -94.6 | 0 | 0 | 0 | 110.2 | ||
| 81 | V | 40.3 | Very low | 41.3 | Very low | 39 Ų | 39 | 101.9 Ų | 101.9 | 24% | 0.236 | 60% | 0.597 | C | S | . | * | trans | -112.8 | 134.3 | -178.1 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | I79 Y85 V100 | I79-V81 HydrophobicContact CG2-CG2 4.49Å; V81-Y85 WeakPolarHBondContact CG1-O 3.2Å; V81-V100 HydrophobicContact CG1-CG1 4.28Å | ||
| 82 | P | 36.7 | Very low | 41.5 | Very low | 72 Ų | 72 | 103.2 Ų | 103.2 | 47% | 0.468 | 59% | 0.594 | S | S | . | * | trans | -63.1 | 151.6 | 177.2 | -22.7 | 34.2 | 0 | 0 | 0 | 113 | G84 Y85 | P82-G84 PolarHBondContact O-N 3.29Å; P82-Y85 HydrophobicContact CB-CD2 4.32Å; P82-Y85 PolarHBondContact O-N 3.09Å | ||
| 83 | P | 36.3 | Very low | 41.2 | Very low | 124 Ų | 124 | 104.7 Ų | 104.7 | 81% | 0.805 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 137.7 | 172.5 | -24.7 | 34.5 | 0 | 0 | 0 | 112.2 | ||
| 84 | G | 42.1 | Very low | 41 | Very low | 42 Ų | 42 | 101.8 Ų | 101.8 | 43% | 0.433 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85.3 | 6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P82 Q103 | P82-G84 PolarHBondContact O-N 3.29Å; G84-Q103 WeakPolarHBondContact O-CB 3.3Å; G84-Q103 PolarHBondContact O-N 3.05Å |
| 85 | Y | 50.4 | Low | 40.5 | Very low | 118 Ų | 118 | 102.2 Ų | 102.2 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.6 | 174.5 | -67.8 | -98.1 | 0 | 0 | 0 | 111.7 | V81 P82 V100 L101 P102 | V81-Y85 WeakPolarHBondContact CG1-O 3.2Å; P82-Y85 HydrophobicContact CB-CD2 4.32Å; P82-Y85 PolarHBondContact O-N 3.09Å; Y85-V100 HydrophobicContact CD1-CG1 4.04Å; Y85-V100 HydrophobicContact CG-CG1 4.29Å; Y85-L101 CarbonylContact C-O 3.56Å; Y85-L101 VanDerWaalsContact CA-O 3.26Å; Y85-L101 WeakPolarHBondContact CA-O 3.4Å; Y85-P102 HydrophobicContact CD1-CB 4.1Å; Y85-P102 HydrophobicContact CE1-CB 3.78Å; Y85-P102 HydrophobicContact CE1-CG 4.5Å |
| 86 | V | 58.3 | Low | 40.6 | Very low | 69 Ų | 69 | 106.1 Ų | 106.1 | 42% | 0.418 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.7 | 143.8 | 176.1 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | V100 L101 | V86-V100 WeakPolarHBondContact O-CA 3.46Å; V86-L101 HydrophobicContact CG2-CB 4.25Å; V86-L101 PolarHBondContact N-O 2.82Å; V86-L101 PolarHBondContact O-N 2.87Å |
| 87 | S | 51.6 | Low | 41 | Very low | 63 Ų | 63 | 107.1 Ų | 107.1 | 44% | 0.441 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.1 | 179.9 | 61 | 0 | 0 | 0 | 0 | 112.3 | L99 | S87-L99 CarbonylContact C-O 3.55Å; S87-L99 VanDerWaalsContact CA-O 3.25Å; S87-L99 WeakPolarHBondContact CA-O 3.42Å |
| 88 | Q | 45.5 | Very low | 41.4 | Very low | 114 Ų | 114 | 105.4 Ų | 105.4 | 53% | 0.533 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.8 | 173.7 | -171.3 | 174.5 | 7.2 | 0 | 0 | 110.3 | I90 L99 | Q88-I90 HydrophobicContact CG-CG1 4.5Å; Q88-L99 PolarHBondContact N-O 2.85Å; Q88-L99 PolarHBondContact O-N 2.82Å |
| 89 | I | 47.8 | Very low | 41.9 | Very low | 115 Ų | 115 | 103 Ų | 103 | 59% | 0.59 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131.4 | 175.1 | -53.7 | 179.7 | 0 | 0 | 0 | 108.5 | R97 V98 | I89-R97 WeakPolarHBondContact CA-O 3.25Å; I89-V98 HydrophobicContact CG1-CG2 4.44Å |
| 90 | I | 43.2 | Very low | 42.1 | Very low | 69 Ų | 69 | 101.4 Ų | 101.4 | 35% | 0.354 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.6 | 176.7 | -54.2 | 178.2 | 0 | 0 | 0 | 108.1 | Q88 R97 L99 | Q88-I90 HydrophobicContact CG-CG1 4.5Å; I90-R97 PolarHBondContact N-O 3.48Å; I90-R97 PolarHBondContact O-N 3.01Å; I90-L99 HydrophobicContact CD1-CD2 4.28Å |
| 91 | E | 36.9 | Very low | 42.4 | Very low | 123 Ų | 123 | 94.8 Ų | 94.8 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 119.9 | 166 | -79 | -175.3 | 155.9 | 0 | 0 | 109.2 | R96 | E91-R96 HydrophobicContact CG-CG 3.61Å; E91-R96 IonicContact OE1-CZ 3.46Å; E91-R96 IonicContact OE1-NE 3.56Å; E91-R96 PolarHBondContact OE1-NE 3.4Å; E91-R96 IonicContact OE1-NH2 2.63Å; E91-R96 PolarHBondContact OE1-NH2 3.46Å |
| 92 | E | 35.3 | Very low | 42.7 | Very low | 104 Ų | 104 | 97.2 Ų | 97.2 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 127.7 | 174.7 | -169.7 | 179.6 | -135.1 | 0 | 0 | 108.4 | G94 V95 R97 | E92-G94 PolarHBondContact O-N 3.35Å; E92-G94 VanDerWaalsContact O-N 3.11Å; E92-V95 PolarHBondContact N-O 2.6Å; E92-V95 PolarHBondContact O-N 2.9Å; E92-R97 IonicContact OE2-NH1 3.63Å; E92-R97 PolarHBondContact OE2-NH1 2.75Å |
| 93 | N | 32.3 | Very low | 43.2 | Very low | 162 Ų | 162 | 100 Ų | 100 | 87% | 0.866 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 37.3 | -177.6 | -61.4 | -33.9 | 0 | 0 | 0 | 114.6 | V95 | N93-V95 VanDerWaalsContact C-N 3.32Å; N93-V95 PolarHBondContact O-N 3.21Å |
| 94 | G | 35 | Very low | 43.4 | Very low | 78 Ų | 78 | 102.3 Ų | 102.3 | 80% | 0.804 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80 | 4.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E92 | E92-G94 PolarHBondContact O-N 3.35Å; E92-G94 VanDerWaalsContact O-N 3.11Å |
| 95 | V | 32.9 | Very low | 43.2 | Very low | 84 Ų | 84 | 105.8 Ų | 105.8 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109 | 126 | 176.7 | -177 | 0 | 0 | 0 | 0 | 110.1 | E92 N93 R97 | E92-V95 PolarHBondContact N-O 2.6Å; E92-V95 PolarHBondContact O-N 2.9Å; N93-V95 VanDerWaalsContact C-N 3.32Å; N93-V95 PolarHBondContact O-N 3.21Å; V95-R97 HydrophobicContact CG1-CG 4.47Å |
| 96 | R | 37 | Very low | 42.2 | Very low | 180 Ų | 180 | 107.4 Ų | 107.4 | 68% | 0.679 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 119.8 | 171.5 | -73.9 | 177.1 | -178.6 | -162.3 | -8.6 | 109.9 | E91 | E91-R96 HydrophobicContact CG-CG 3.61Å; E91-R96 IonicContact OE1-CZ 3.46Å; E91-R96 IonicContact OE1-NE 3.56Å; E91-R96 PolarHBondContact OE1-NE 3.4Å; E91-R96 IonicContact OE1-NH2 2.63Å; E91-R96 PolarHBondContact OE1-NH2 3.46Å |
| 97 | R | 42 | Very low | 40.9 | Very low | 141 Ų | 141 | 113.3 Ų | 113.3 | 53% | 0.532 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 145.2 | 172.2 | -67.7 | 176.2 | 173 | 158.1 | -4.6 | 109.6 | I89 I90 E92 V95 | I89-R97 WeakPolarHBondContact CA-O 3.25Å; I90-R97 PolarHBondContact N-O 3.48Å; I90-R97 PolarHBondContact O-N 3.01Å; E92-R97 IonicContact OE2-NH1 3.63Å; E92-R97 PolarHBondContact OE2-NH1 2.75Å; V95-R97 HydrophobicContact CG1-CG 4.47Å |
| 98 | V | 44.1 | Very low | 40 | Very low | 66 Ų | 66 | 118.7 Ų | 118.7 | 40% | 0.4 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 114.2 | 175.3 | -174.4 | 0 | 0 | 0 | 0 | 108 | I79 I89 | I79-V98 HydrophobicContact CD1-CG1 4.25Å; I79-V98 HydrophobicContact CD1-CG2 3.98Å; I89-V98 HydrophobicContact CG1-CG2 4.44Å |
| 99 | L | 47 | Very low | 39.6 | Very low | 79 Ų | 79 | 119.4 Ų | 119.4 | 41% | 0.414 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 141.8 | 170.5 | -126.5 | 71.6 | 0 | 0 | 0 | 109 | S87 Q88 I90 L101 | S87-L99 CarbonylContact C-O 3.55Å; S87-L99 VanDerWaalsContact CA-O 3.25Å; S87-L99 WeakPolarHBondContact CA-O 3.42Å; Q88-L99 PolarHBondContact N-O 2.85Å; Q88-L99 PolarHBondContact O-N 2.82Å; I90-L99 HydrophobicContact CD1-CD2 4.28Å; L99-L101 HydrophobicContact CD2-CD1 4.43Å; L99-L101 HydrophobicContact CD2-CD2 4.16Å; L99-L101 HydrophobicContact CD2-CG 4.41Å |
| 100 | V | 45.9 | Very low | 39.1 | Very low | 75 Ų | 75 | 118 Ų | 118 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.5 | 172.9 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | V81 Y85 V86 | V81-V100 HydrophobicContact CG1-CG1 4.28Å; Y85-V100 HydrophobicContact CD1-CG1 4.04Å; Y85-V100 HydrophobicContact CG-CG1 4.29Å; V86-V100 WeakPolarHBondContact O-CA 3.46Å |
| 101 | L | 49.7 | Very low | 38.4 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 38% | 0.382 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.9 | -171 | -64.2 | 172.7 | 0 | 0 | 0 | 110.6 | Y85 V86 L99 | Y85-L101 CarbonylContact C-O 3.56Å; Y85-L101 VanDerWaalsContact CA-O 3.26Å; Y85-L101 WeakPolarHBondContact CA-O 3.4Å; V86-L101 HydrophobicContact CG2-CB 4.25Å; V86-L101 PolarHBondContact N-O 2.82Å; V86-L101 PolarHBondContact O-N 2.87Å; L99-L101 HydrophobicContact CD2-CD1 4.43Å; L99-L101 HydrophobicContact CD2-CD2 4.16Å; L99-L101 HydrophobicContact CD2-CG 4.41Å |
| 102 | P | 47.1 | Very low | 38.1 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 58% | 0.584 | 67% | 0.668 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.6 | 141.2 | 173.3 | 29.8 | -33.8 | 0 | 0 | 0 | 110.8 | Y85 | Y85-P102 HydrophobicContact CD1-CB 4.1Å; Y85-P102 HydrophobicContact CE1-CB 3.78Å; Y85-P102 HydrophobicContact CE1-CG 4.5Å |
| 103 | Q | 47.6 | Very low | 38 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 61% | 0.607 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 119.6 | -179.2 | -167.6 | 174 | 12.2 | 0 | 0 | 110.4 | G84 | G84-Q103 WeakPolarHBondContact O-CB 3.3Å; G84-Q103 PolarHBondContact O-N 3.05Å |
| 104 | Q | 40 | Very low | 38.6 | Very low | 174 Ų | 174 | 119.2 Ų | 119.2 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 152.3 | 173.1 | -76.7 | -172.1 | -25.2 | 0 | 0 | 111.7 | ||
| 105 | P | 37 | Very low | 38.3 | Very low | 114 Ų | 114 | 122.3 Ų | 122.3 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 130.5 | 174.1 | 31.9 | -33.1 | 0 | 0 | 0 | 111.6 | ||
| 106 | D | 31 | Very low | 38.2 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 130.8 | 175.7 | -70.1 | -56.6 | 0 | 0 | 0 | 112.2 | ||
| 107 | F | 29.3 | Very low | 37.8 | Very low | 192 Ų | 192 | 126.5 Ų | 126.5 | 84% | 0.842 | 69% | 0.694 | S | S | * | * | trans | -136.5 | 118.6 | 169 | -110.2 | -88.9 | 0 | 0 | 0 | 109.8 | ||||
| 108 | H | 33.6 | Very low | 38.2 | Very low | 177 Ų | 177 | 125.3 Ų | 125.3 | 82% | 0.819 | 71% | 0.705 | S | S | * | * | trans | -117.5 | 124.5 | 172.7 | -79.1 | -29.8 | 0 | 0 | 0 | 110.7 | ||||
| 109 | P | 37.9 | Very low | 38.2 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | trans | -80.4 | 149.2 | 168 | 33.7 | -32.9 | 0 | 0 | 0 | 110.9 | ||||
| 110 | G | 36.5 | Very low | 38.2 | Very low | 85 Ų | 85 | 129.2 Ų | 129.2 | 88% | 0.876 | 74% | 0.736 | S | S | * | * | trans | -116 | -179.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 111 | G | 29.3 | Very low | 38.7 | Very low | 63 Ų | 63 | 131 Ų | 131 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | trans | -178.3 | 140.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 112 | H | 30.2 | Very low | 38.8 | Very low | 196 Ų | 196 | 132.7 Ų | 132.7 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | trans | 78.7 | 135.1 | 155.3 | -55.2 | -75.6 | 0 | 0 | 0 | 122.3 | ||||
| 113 | S | 31.9 | Very low | 38.2 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -123.7 | 165.3 | 159.9 | -44.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 114 | P | 45.4 | Very low | 37.4 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | -158.4 | 167.5 | 88.5 | 40.7 | -20.8 | 0 | 0 | 0 | 118.8 | |||||
| 115 | L | 29.8 | Very low | 37 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | 54.2 | 112 | 145.4 | -70 | 164.5 | 0 | 0 | 0 | 122.9 | ||||
| 116 | H | 30.3 | Very low | 36.9 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | 177.1 | 170 | 103.5 | -101.8 | -79.4 | 0 | 0 | 0 | 113.8 | |||||
| 117 | H | 27.2 | Very low | 37.5 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -129.5 | 174.7 | -170.2 | -74.2 | -74.9 | 0 | 0 | 0 | 112.6 | ||||
| 118 | P | 50.5 | Low | 37.7 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | cis | -115.4 | -103.9 | -21 | 31.9 | -9.8 | 0 | 0 | 0 | 110 | ||||
| 119 | P | 43.9 | Very low | 37.5 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | cis | -117.7 | 173.2 | -15.2 | 42.6 | -28.4 | 0 | 0 | 0 | 115.7 | ||||
| 120 | P | 47 | Very low | 37.3 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -121.1 | -157.2 | 175.6 | 45.9 | -33 | 0 | 0 | 0 | 111.4 | ||||
| 121 | P | 57.5 | Low | 38.1 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | cis | -116.3 | -141.1 | -15.5 | 37.9 | -17.2 | 0 | 0 | 0 | 108.8 | ||||
| 122 | P | 50.8 | Low | 38.3 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | -128.3 | -154.8 | -16.3 | 41.7 | -21.3 | 0 | 0 | 0 | 111.9 | ||||
| 123 | H | 34.4 | Very low | 39.4 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | cis | -149.2 | -176.6 | 4.6 | -140.6 | -77.7 | 0 | 0 | 0 | 112.9 | ||||
| 124 | A | 31.8 | Very low | 39.5 | Very low | 65 Ų | 65 | 134.4 Ų | 134.4 | 54% | 0.537 | 77% | 0.765 | S | S | . | * | trans | -73 | 176.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 125 | H | 32 | Very low | 38.9 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -148.3 | 156.1 | 32.8 | -73.2 | -97.2 | 0 | 0 | 0 | 116.8 | ||||
| 126 | L | 33.4 | Very low | 39 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -107.9 | 157.8 | 149.7 | -74.8 | 167.3 | 0 | 0 | 0 | 108.4 | ||||
| 127 | P | 45.1 | Very low | 38.9 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | -145.8 | -179.4 | 94.8 | 39.5 | -23.2 | 0 | 0 | 0 | 114.8 | |||||
| 128 | A | 32.4 | Very low | 40.5 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -105.4 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 129 | F | 29.3 | Very low | 40.7 | Very low | 210 Ų | 210 | 130.7 Ų | 130.7 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -137.4 | 148.2 | 165.1 | -110.6 | -89 | 0 | 0 | 0 | 111.8 | ||||
| 130 | M | 33.8 | Very low | 41.7 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | -134 | 176.8 | 176 | -103.7 | -172.9 | 171.5 | 0 | 0 | 107.5 | ||||
| 131 | P | 53.5 | Low | 42.4 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | cis | -138.7 | -164.6 | 16.9 | 40.8 | -19.2 | 0 | 0 | 0 | 116.5 | ||||
| 132 | H | 34.3 | Very low | 41.5 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -75.5 | -174.5 | 172 | -96.3 | -51.5 | 0 | 0 | 0 | 114 | ||||
| 133 | P | 52.4 | Low | 40.4 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | cis | -148.8 | 173.9 | 21.1 | 44.6 | -24 | 0 | 0 | 0 | 121.6 | ||||
| 134 | A | 34.6 | Very low | 40.3 | Very low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 65.4 | 164.4 | 149.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 135 | M | 32.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 138 Ų | 138 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | cis | -152.2 | 153.6 | 20.4 | -97.6 | -57.3 | 175.1 | 0 | 0 | 115.2 | ||||
| 136 | M | 31.5 | Very low | 40.1 | Very low | 176 Ų | 176 | 134 Ų | 134 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | 67.5 | 152.5 | 148.6 | -64.1 | -63 | -178.4 | 0 | 0 | 124.9 | ||||
| 137 | G | 28.9 | Very low | 39.8 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | trans | -148.8 | -148.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 138 | P | 61.7 | Low | 40 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | cis | -123.9 | -130.9 | -9.1 | 28.3 | -0.6 | 0 | 0 | 0 | 109.8 | ||||
| 139 | P | 54.2 | Low | 39.8 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | cis | -135.8 | -122.8 | -13.4 | 46.6 | -22.8 | 0 | 0 | 0 | 115 | ||||
| 140 | P | 64.6 | Low | 39.8 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -125.4 | -140.8 | -159.9 | 39.7 | -12.5 | 0 | 0 | 0 | 112.9 | ||||
| 141 | P | 62.4 | Low | 39.5 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 60% | 0.597 | 78% | 0.776 | S | S | * | * | cis | -140.3 | -171 | -17.4 | 42.5 | -23 | 0 | 0 | 0 | 117.5 | ||||
| 142 | H | 37.8 | Very low | 38.3 | Very low | 165 Ų | 165 | 124.3 Ų | 124.3 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | 72.8 | 161.3 | 149.7 | -67.2 | -21.1 | 0 | 0 | 0 | 120.9 | ||||
| 143 | L | 28.9 | Very low | 37.9 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | cis | -167.3 | 164.3 | -20.7 | -108.7 | 173.6 | 0 | 0 | 0 | 113.1 | ||||
| 144 | Y | 31.7 | Very low | 36.8 | Very low | 203 Ų | 203 | 124.8 Ų | 124.8 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | 59.7 | 139.5 | 173 | -83.1 | -113.1 | 0 | 0 | 0 | 117.1 | ||||
| 145 | T | 29.9 | Very low | 36.4 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | cis | 93.1 | 125.9 | 20.4 | 69.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 146 | G | 28.4 | Very low | 36.3 | Very low | 79 Ų | 79 | 122.5 Ų | 122.5 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | trans | 167.9 | 140.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 147 | M | 29 | Very low | 36.5 | Very low | 183 Ų | 183 | 122.6 Ų | 122.6 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | trans | -126.2 | -159.3 | 168.3 | -47.4 | -156.7 | -57.5 | 0 | 0 | 108.3 | ||||
| 148 | P | 48.8 | Very low | 36.5 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | cis | -135.3 | -176.2 | -23.9 | 39.6 | -22.2 | 0 | 0 | 0 | 114.7 | ||||
| 149 | G | 27.3 | Very low | 35.1 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 109.3 | 157.2 | 136.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 150 | G | 29.2 | Very low | 34.7 | Very low | 71 Ų | 71 | 131.4 Ų | 131.4 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | 86.1 | 124.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 151 | V | 27.6 | Very low | 33.1 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 96% | 0.964 | 77% | 0.773 | S | S | * | * | cis | 73.6 | 122.2 | 11 | -162.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 152 | G | 29.8 | Very low | 31.8 | Very low | 71 Ų | 71 | 138.8 Ų | 138.8 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 113.4 | 101.8 | -173 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 153 | D | 25 | Very low | 31.6 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | cis | 92.4 | 131.2 | 30.6 | -162.1 | 25.5 | 0 | 0 | 0 | 114.6 | ||||
| 154 | M | 29.4 | Very low | 32.7 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | 58.5 | 160 | 174.9 | -60.6 | -157.1 | -169.4 | 0 | 0 | 118.5 | ||||
| 155 | S | 27.1 | Very low | 32.7 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | cis | -168 | 177.1 | -29.9 | 59.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 156 | S | 29 | Very low | 33.1 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | 41.4 | 111.5 | 159 | 57.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 157 | Q | 35.6 | Very low | 33.3 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | 53.1 | 116.5 | 87.7 | -68.3 | -173.9 | -6.4 | 0 | 0 | 116.4 | |||||
| 158 | Y | 29.3 | Very low | 33.3 | Very low | 227 Ų | 227 | 137.6 Ų | 137.6 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | -167.5 | 167.5 | 116.6 | -124 | -98.3 | 0 | 0 | 0 | 112.3 | |||||
| 159 | I | 32.1 | Very low | 32.6 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | -131.5 | 149.3 | -174.9 | -50 | 163.6 | 0 | 0 | 0 | 109.2 | ||||
| 160 | P | 44.8 | Very low | 32.8 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | -143.5 | 170.5 | 122.4 | 33 | -15.6 | 0 | 0 | 0 | 115.3 | |||||
| 161 | Q | 32.8 | Very low | 32.9 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -114.6 | 160.5 | -178.2 | -55.6 | 158.4 | -49.7 | 0 | 0 | 111.1 | ||||
| 162 | Y | 33.7 | Very low | 32.9 | Very low | 205 Ų | 205 | 142.7 Ų | 142.7 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | 170.8 | 167.8 | 112.8 | -107.5 | -86.2 | 0 | 0 | 0 | 116.6 | |||||
| 163 | H | 34.7 | Very low | 33 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | -78.3 | -171.8 | 179.4 | -87.1 | -53.8 | 0 | 0 | 0 | 114.1 | ||||
| 164 | P | 51.2 | Low | 33.2 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | cis | -154.5 | -177.7 | 26.5 | 45.8 | -23.6 | 0 | 0 | 0 | 121.8 | ||||
| 165 | A | 32.5 | Very low | 33.1 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | trans | 63.7 | 157.4 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 166 | H | 37.9 | Very low | 33.2 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | cis | -179.7 | 170.1 | -18.3 | -89.3 | -29.9 | 0 | 0 | 0 | 107.1 | ||||
| 167 | I | 32.3 | Very low | 33.3 | Very low | 129 Ų | 129 | 151.8 Ų | 151.8 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | cis | -167.9 | 151.7 | -11.9 | -103.5 | 165 | 0 | 0 | 0 | 107.1 | ||||
| 168 | F | 28.4 | Very low | 32.8 | Very low | 203 Ų | 203 | 147 Ų | 147 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | trans | -174.5 | -174.6 | 143.7 | -113.6 | -78 | 0 | 0 | 0 | 113.1 | ||||
| 169 | S | 34.8 | Very low | 32.6 | Very low | 90 Ų | 90 | 147 Ų | 147 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | -145.6 | -163.8 | -142.1 | 62.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 170 | E | 30.9 | Very low | 32.2 | Very low | 162 Ų | 162 | 147 Ų | 147 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | 92.2 | 142.9 | 173.1 | -58.8 | -173 | 152.3 | 0 | 0 | 117.1 | ||||
| 171 | Q | 32.8 | Very low | 31.4 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | -160.6 | 174.1 | -13.6 | -122.6 | 172.1 | -2.1 | 0 | 0 | 113.7 | ||||
| 172 | D | 26.9 | Very low | 31.1 | Very low | 129 Ų | 129 | 147.4 Ų | 147.4 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | trans | 72.4 | 94.5 | 151.6 | -68.6 | 7.3 | 0 | 0 | 0 | 127.2 | ||||
| 173 | S | 31.8 | Very low | 30.9 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | 65.4 | 120.7 | 118.7 | 72.4 | 0 | 0 | 0 | 0 | 126.7 | |||||
| 174 | H | 29.5 | Very low | 30.8 | Very low | 189 Ų | 189 | 143.1 Ų | 143.1 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | trans | 37.4 | 136.1 | 138.5 | -66.2 | -58.1 | 0 | 0 | 0 | 123.3 | ||||
| 175 | S | 26.5 | Very low | 29.6 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | -175.6 | -176.8 | 72 | 48.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 176 | Q | 30 | Very low | 29.5 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -128.4 | 170.9 | -174.2 | -75.2 | -176.2 | -36.3 | 0 | 0 | 114.7 | ||||
| 177 | H | 30.8 | Very low | 29.1 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | 82.3 | 101.2 | 159.4 | -71.3 | -63.6 | 0 | 0 | 0 | 120.1 | ||||
| 178 | G | 25 | Very low | 28.9 | Very low | 78 Ų | 78 | 153.4 Ų | 153.4 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -83.2 | -166.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 179 | R | 24.9 | Very low | 29.2 | Very low | 225 Ų | 225 | 146.8 Ų | 146.8 | 85% | 0.849 | 75% | 0.746 | S | S | * | * | trans | -158.9 | 137.5 | 167.1 | -126.4 | -172.9 | -178.3 | -168.5 | -2.2 | 114.3 | ||||
| 180 | Q | 24.5 | Very low | 29 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 65% | 0.654 | 75% | 0.753 | S | S | * | * | trans | 46.3 | 101.4 | 139.3 | -76.5 | 174.5 | -43.2 | 0 | 0 | 122.6 | ||||
| 181 | S | 28.3 | Very low | 29.1 | Very low | 97 Ų | 97 | 151 Ų | 151 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | 47.3 | 117.8 | 110.7 | 66.4 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 182 | F | 26.3 | Very low | 29 | Very low | 197 Ų | 197 | 149.6 Ų | 149.6 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -162.7 | 153.4 | 151.5 | -80.8 | -37.5 | 0 | 0 | 0 | 106.7 | ||||
| 183 | L | 29.7 | Very low | 29.2 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | cis | -163.9 | 166 | -14.7 | -88.6 | 170.6 | 0 | 0 | 0 | 105 | ||||
| 184 | H | 31.1 | Very low | 29.1 | Very low | 139 Ų | 139 | 154.9 Ų | 154.9 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | cis | -179.9 | 161.7 | -24.8 | 166.5 | 58.2 | 0 | 0 | 0 | 108.6 | ||||
| 185 | R | 26.3 | Very low | 29.2 | Very low | 193 Ų | 193 | 157.1 Ų | 157.1 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | trans | 81.6 | 123.9 | 159.9 | -121.5 | 165.1 | -174.5 | 169.6 | 2.3 | 120.5 | ||||
| 186 | D | 31.4 | Very low | 29.4 | Very low | 127 Ų | 127 | 158.6 Ų | 158.6 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | 25.4 | 154.6 | 114.9 | -25.4 | -32.3 | 0 | 0 | 0 | 118.9 | |||||
| 187 | D | 29.8 | Very low | 29.7 | Very low | 134 Ų | 134 | 160 Ų | 160 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | cis | -160.8 | 157.6 | 20.8 | -159.1 | -22.1 | 0 | 0 | 0 | 111.9 | A189 | D187-A189 VanDerWaalsContact OD1-CB 3.31Å; D187-A189 WeakPolarHBondContact OD1-CB 3.25Å; D187-A189 PolarHBondContact OD1-N 3.36Å | ||
| 188 | R | 28.3 | Very low | 29.9 | Very low | 251 Ų | 251 | 160.1 Ų | 160.1 | 95% | 0.947 | 77% | 0.772 | S | S | * | * | trans | -151.7 | 51.9 | 155 | -154.8 | -178.7 | -173.3 | 178.6 | 3.8 | 113.4 | ||||
| 189 | A | 34.4 | Very low | 30.2 | Very low | 63 Ų | 63 | 164.7 Ų | 164.7 | 52% | 0.521 | 77% | 0.77 | S | S | . | * | trans | -78.5 | 150.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D187 | D187-A189 VanDerWaalsContact OD1-CB 3.31Å; D187-A189 WeakPolarHBondContact OD1-CB 3.25Å; D187-A189 PolarHBondContact OD1-N 3.36Å | ||
| 190 | N | 30.6 | Very low | 30.5 | Very low | 146 Ų | 146 | 161.3 Ų | 161.3 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | 61.5 | 107.6 | 141.6 | -62.6 | -21.8 | 0 | 0 | 0 | 122.6 | ||||
| 191 | K | 31.3 | Very low | 30.8 | Very low | 196 Ų | 196 | 162.4 Ų | 162.4 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | S | Bend | -133.7 | 141.1 | 112.6 | -79.5 | -168 | 177.4 | 178.7 | 0 | 108 | |||
| 192 | T | 31.7 | Very low | 31.1 | Very low | 123 Ų | 123 | 164.3 Ų | 164.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | cis | -150.6 | 123.8 | -0.2 | -2.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 193 | H | 32 | Very low | 31.5 | Very low | 174 Ų | 174 | 164.7 Ų | 164.7 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | trans | -111.8 | 97.5 | 163.7 | 176.3 | 90.9 | 0 | 0 | 0 | 108.3 | ||||
| 194 | E | 29 | Very low | 31.5 | Very low | 166 Ų | 166 | 165.5 Ų | 165.5 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -153 | 90.8 | 166.8 | -152.3 | 178.1 | -124.4 | 0 | 0 | 112.7 | ||||
| 195 | R | 30.7 | Very low | 31.4 | Very low | 237 Ų | 237 | 162.5 Ų | 162.5 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -169.7 | 81.2 | 130.5 | -103.1 | 167.8 | -171.8 | -159.3 | 0.9 | 111 | ||
| 196 | L | 30.9 | Very low | 31.4 | Very low | 147 Ų | 147 | 157.2 Ų | 157.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 26.1 | 109.8 | 144.9 | -76.9 | 156.7 | 0 | 0 | 0 | 117.4 | K198 | L196-K198 PolarHBondContact O-N 2.99Š| ||
| 197 | Q | 37.7 | Very low | 31.3 | Very low | 199 Ų | 199 | 155.1 Ų | 155.1 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | -58.4 | 122.7 | 146.9 | -74.4 | -171.7 | -6.6 | 0 | 0 | 109.2 | ||||
| 198 | K | 34.3 | Very low | 31.2 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -136.8 | 88.9 | 166.7 | -169.9 | 179.4 | 176.6 | -177.6 | 0 | 111.7 | L196 | L196-K198 PolarHBondContact O-N 2.99Š| ||
| 199 | K | 31.8 | Very low | 31.3 | Very low | 174 Ų | 174 | 145 Ų | 145 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | 53.8 | 124.7 | 147.2 | -65.4 | -175.3 | 174.3 | -172.7 | 0 | 119.3 | ||||
| 200 | L | 31 | Very low | 30.9 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | 58 | 143 | 128.9 | -58 | 163.1 | 0 | 0 | 0 | 117.9 | |||||
| 201 | K | 30.8 | Very low | 30.8 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 71% | 0.709 | 81% | 0.806 | S | S | * | * | cis | -162 | 156.7 | 22.8 | -144.5 | -173.7 | -176.2 | -133.7 | 0 | 110.7 | ||||
| 202 | E | 33.4 | Very low | 30.6 | Very low | 138 Ų | 138 | 143.3 Ų | 143.3 | 65% | 0.645 | 80% | 0.796 | S | S | * | * | trans | 27.7 | 138.7 | 149.4 | -72.4 | 172.2 | 134.7 | 0 | 0 | 124.6 | ||||
| 203 | R | 34.7 | Very low | 30.5 | Very low | 205 Ų | 205 | 146.1 Ų | 146.1 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | 89.5 | 127.6 | 136.5 | -92.9 | -171.2 | 166.1 | -160.9 | -2.3 | 122.4 | ||||
| 204 | Q | 29.8 | Very low | 30.4 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | trans | 65 | 128.1 | 142.3 | -73.3 | -179.3 | -38.8 | 0 | 0 | 121.4 | ||||
| 205 | G | 28.4 | Very low | 30.4 | Very low | 76 Ų | 76 | 142.2 Ų | 142.2 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | 132 | 118.8 | 120.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 206 | G | 28.2 | Very low | 31.4 | Very low | 82 Ų | 82 | 136.4 Ų | 136.4 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | 76.4 | 148.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 207 | G | 28.6 | Very low | 32.1 | Very low | 83 Ų | 83 | 134.7 Ų | 134.7 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | cis | 100 | 122.5 | 6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 208 | G | 27.7 | Very low | 31.7 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | cis | -179.4 | -162.2 | -1.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 209 | G | 29.6 | Very low | 31.4 | Very low | 87 Ų | 87 | 127 Ų | 127 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -176.5 | 128.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 210 | G | 26 | Very low | 31.5 | Very low | 70 Ų | 70 | 124.5 Ų | 124.5 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -176.5 | -172.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 211 | Q | 28.9 | Very low | 31.4 | Very low | 194 Ų | 194 | 125.8 Ų | 125.8 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | 76.2 | 146 | -168.4 | -56.1 | -165 | -6.8 | 0 | 0 | 114.3 | ||||
| 212 | V | 27.8 | Very low | 31.1 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 63% | 0.63 | 79% | 0.793 | S | S | * | * | cis | -164.1 | 161.6 | -11.3 | 126.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 213 | K | 29.9 | Very low | 30.8 | Very low | 182 Ų | 182 | 127.1 Ų | 127.1 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 71.8 | 145.9 | 173.4 | -77.5 | 160.1 | -170.4 | 179.9 | 0 | 115.9 | ||||
| 214 | D | 28.5 | Very low | 30.3 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | cis | -130.2 | 168.8 | 5.5 | -85.5 | -51.5 | 0 | 0 | 0 | 113.1 | ||||
| 215 | S | 30 | Very low | 30.2 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -154.2 | 175.3 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 216 | P | 50.7 | Low | 30.3 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | -115.6 | -152.8 | -71.7 | 34 | -14 | 0 | 0 | 0 | 109.7 | |||||
| 217 | P | 45.8 | Very low | 30.6 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | -152.7 | 154.8 | 77 | 42.6 | -23.1 | 0 | 0 | 0 | 118.7 | |||||
| 218 | S | 29.3 | Very low | 30.8 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | 48.6 | 119.1 | 139.3 | 66.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 219 | S | 28.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 145 | 133.1 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 220 | P | 34.9 | Very low | 30.7 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 153.2 | 172.4 | 34.4 | -32.4 | 0 | 0 | 0 | 113.3 | ||
| 221 | Q | 27.2 | Very low | 30.7 | Very low | 182 Ų | 182 | 135 Ų | 135 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 148.2 | -172.8 | -60.1 | 155.1 | -69.5 | 0 | 0 | 115.3 | ||
| 222 | K | 26.3 | Very low | 30.6 | Very low | 217 Ų | 217 | 132.4 Ų | 132.4 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 135.4 | 145.4 | -73.8 | -176.6 | 176.4 | -178.4 | 0 | 108.6 | ||
| 223 | S | 25.4 | Very low | 30.6 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -138 | 162.3 | 163.7 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 224 | C | 24.1 | Very low | 30.6 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -83.9 | 150.6 | -161.6 | -50.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 225 | S | 27.8 | Very low | 30.6 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -148.3 | 153.6 | 143.2 | 41.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 226 | S | 31.3 | Very low | 30.5 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -91.6 | 179.8 | -169.5 | -48.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 227 | P | 34.7 | Very low | 29.5 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 154.5 | -154.6 | 31.2 | -36.9 | 0 | 0 | 0 | 114.7 | ||
| 228 | P | 32.8 | Very low | 28.7 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 151.9 | 174 | 32.3 | -35.6 | 0 | 0 | 0 | 112.3 | ||
| 229 | T | 26.3 | Very low | 28.6 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 158.3 | 168.6 | 32.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 230 | V | 27.8 | Very low | 28.6 | Very low | 133 Ų | 133 | 131 Ų | 131 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 140.9 | 165 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 231 | D | 26.8 | Very low | 28.2 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -130.8 | 152.5 | 161.5 | -125.3 | -41.8 | 0 | 0 | 0 | 111 | ||||
| 232 | I | 27 | Very low | 28.3 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | -106.8 | 163.4 | -163.3 | -68 | 166.5 | 0 | 0 | 0 | 110.4 | ||||
| 233 | H | 28.7 | Very low | 28.3 | Very low | 164 Ų | 164 | 124.4 Ų | 124.4 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | 161.9 | 144.6 | 141.9 | -90.6 | 73.9 | 0 | 0 | 0 | 109 | ||||
| 234 | N | 29.2 | Very low | 28.3 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | cis | -159.4 | 149.7 | 3.8 | -149.6 | -1.6 | 0 | 0 | 0 | 113.4 | ||||
| 235 | G | 27.5 | Very low | 28.4 | Very low | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | 68.8 | 157.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 236 | V | 29.4 | Very low | 28.3 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | cis | -146.2 | 126.1 | -3.7 | 175.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 237 | G | 28.5 | Very low | 28.2 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | 78.7 | 125.5 | 83.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 238 | G | 29.1 | Very low | 27.7 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | cis | 172.2 | -165.5 | -0 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 239 | K | 28.2 | Very low | 27.6 | Very low | 224 Ų | 224 | 131 Ų | 131 | 97% | 0.974 | 77% | 0.769 | S | S | * | * | trans | 77.6 | 137.1 | -173.7 | -51.8 | 178.4 | -179.7 | -178.9 | 0 | 115.4 | ||||
| 240 | G | 27.2 | Very low | 27.5 | Very low | 66 Ų | 66 | 129.3 Ų | 129.3 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | cis | 157.8 | 156.3 | -12.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 241 | L | 28.1 | Very low | 27.7 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 68 | 147.1 | 171.2 | -54.8 | 174.7 | 0 | 0 | 0 | 114.9 | ||||
| 242 | D | 27.4 | Very low | 27.8 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | cis | -136.9 | 147.5 | 3 | -96.5 | -42.4 | 0 | 0 | 0 | 109.5 | ||||
| 243 | A | 27.5 | Very low | 28.1 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | 64.1 | 142.8 | 99.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 244 | E | 24.6 | Very low | 28.4 | Very low | 154 Ų | 154 | 126 Ų | 126 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | cis | -169.7 | 153.5 | -9 | -124.1 | -158.5 | 139.8 | 0 | 0 | 110.7 | ||||
| 245 | L | 26.2 | Very low | 28.8 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 61% | 0.613 | 76% | 0.761 | S | S | * | * | trans | 59.8 | 171.6 | 150.1 | -55.5 | 173.8 | 0 | 0 | 0 | 118.1 | ||||
| 246 | R | 26.1 | Very low | 29.2 | Very low | 205 Ų | 205 | 129.9 Ų | 129.9 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | cis | -147.3 | -178.8 | -28.6 | -124.5 | 177.6 | -171.5 | 175.1 | 10.4 | 112.8 | ||||
| 247 | H | 29 | Very low | 29.2 | Very low | 169 Ų | 169 | 126.5 Ų | 126.5 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | trans | -58.6 | 160.5 | 176.4 | -42.3 | -30.8 | 0 | 0 | 0 | 116.7 | ||||
| 248 | G | 25.3 | Very low | 29.6 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | -174.4 | 118 | 152.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 249 | V | 30.7 | Very low | 29.7 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | cis | 63.2 | 93.4 | 29 | -169.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 250 | A | 23.3 | Very low | 30.3 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | -157.8 | 132.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 251 | C | 31.2 | Very low | 30.7 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 92% | 0.919 | 77% | 0.773 | S | S | * | * | trans | -114.1 | 143.4 | 167.5 | -68.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 252 | S | 30.3 | Very low | 30.9 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | -176.4 | 140.2 | 170.9 | 60.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 253 | D | 33.5 | Very low | 31.2 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | cis | -167 | 154.8 | 1.3 | -137.4 | -14.9 | 0 | 0 | 0 | 112.9 | ||||
| 254 | K | 34.4 | Very low | 32.2 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | trans | 51.7 | 167.1 | 147.8 | -74.4 | 154.2 | -162.2 | 152.7 | 0 | 120.6 | ||||
| 255 | Q | 37.5 | Very low | 33.3 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | cis | -119.1 | -156.7 | -0.9 | -63.6 | 179.8 | 9.5 | 0 | 0 | 109.4 | ||||
| 256 | T | 35.9 | Very low | 34.4 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | cis | -155.2 | 157.1 | -0.2 | -32.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 257 | G | 30.5 | Very low | 35.7 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | 179.1 | 145.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 258 | K | 36.5 | Very low | 37.2 | Very low | 221 Ų | 221 | 130.5 Ų | 130.5 | 96% | 0.961 | 75% | 0.752 | S | S | * | * | trans | -110.5 | 147.2 | -173.1 | -77.2 | -176.9 | 175.2 | 177.4 | 0 | 114 | ||||
| 259 | G | 31.3 | Very low | 38.9 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -160.4 | 132.7 | 165 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 260 | K | 40 | Very low | 40.3 | Very low | 194 Ų | 194 | 133.3 Ų | 133.3 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -89.4 | 170.9 | 171.1 | -73.5 | -174.3 | 178.3 | -179.9 | 0 | 109.5 | ||||
| 261 | N | 35.8 | Very low | 42.2 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | cis | -164.2 | 167.8 | -12.3 | -105.1 | 23.4 | 0 | 0 | 0 | 104.1 | ||||
| 262 | G | 31.7 | Very low | 44 | Very low | 61 Ų | 61 | 130.3 Ų | 130.3 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | cis | 154.6 | 94.4 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 263 | E | 34.3 | Very low | 45.7 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -141.2 | 141.3 | 171 | -98.1 | -174.9 | 164 | 0 | 0 | 107.4 | ||
| 264 | S | 47.4 | Very low | 47.5 | Very low | 87 Ų | 87 | 125.8 Ų | 125.8 | 61% | 0.608 | 68% | 0.675 | S | S | * | * | cis | -127.6 | 47.7 | 5.7 | -68.7 | 0 | 0 | 0 | 0 | 113.7 | E266 | S264-E266 PolarHBondContact O-N 3.48Š| ||
| 265 | R | 49.1 | Very low | 49.3 | Very low | 205 Ų | 205 | 120.3 Ų | 120.3 | 77% | 0.774 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 61.4 | -3.8 | 139.3 | -147 | 171.5 | -177.6 | 179.7 | -2.4 | 120.3 | ||
| 266 | E | 49.7 | Very low | 50.9 | Low | 142 Ų | 142 | 115.2 Ų | 115.2 | 66% | 0.664 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -115.2 | -45.9 | 175.1 | -62.2 | -168.4 | 124.4 | 0 | 0 | 111.1 | S264 D268 K269 | S264-E266 PolarHBondContact O-N 3.48Å; E266-D268 PolarHBondContact O-N 2.97Å; E266-K269 WeakPolarHBondContact O-CB 3.32Å; E266-K269 PolarHBondContact O-N 3.14Å |
| 267 | L | 52.8 | Low | 52.8 | Low | 137 Ų | 137 | 110.2 Ų | 110.2 | 72% | 0.717 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -54.5 | -32.2 | 170 | -75.4 | 163.6 | 0 | 0 | 0 | 113.6 | K269 A271 | L267-K269 PolarHBondContact O-N 2.91Å; L267-A271 PolarHBondContact O-N 3.07Å |
| 268 | D | 60.9 | Low | 54.9 | Low | 90 Ų | 90 | 106.8 Ų | 106.8 | 48% | 0.481 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.9 | -29.2 | 174.9 | -80.5 | -47.3 | 0 | 0 | 0 | 113 | E266 Q272 | E266-D268 PolarHBondContact O-N 2.97Å; D268-Q272 WeakPolarHBondContact O-CB 3.33Å; D268-Q272 WeakPolarHBondContact O-CG 3.45Å; D268-Q272 PolarHBondContact O-N 2.95Å |
| 269 | K | 60.3 | Low | 56.9 | Low | 129 Ų | 129 | 98.3 Ų | 98.3 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -75.1 | -42.6 | -174.1 | -61.6 | 176.5 | -174.8 | 165.7 | 0 | 111.7 | E266 L267 Q272 A273 | E266-K269 WeakPolarHBondContact O-CB 3.32Å; E266-K269 PolarHBondContact O-N 3.14Å; L267-K269 PolarHBondContact O-N 2.91Å; K269-Q272 PolarHBondContact O-N 3.36Å; K269-A273 WeakPolarHBondContact O-CB 3.22Å; K269-A273 PolarHBondContact O-N 2.85Å |
| 270 | E | 60.2 | Low | 59.1 | Low | 141 Ų | 141 | 98 Ų | 98 | 66% | 0.659 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.7 | -45 | 177.7 | -63.9 | 178.6 | 157.8 | 0 | 0 | 110.6 | Q272 A273 L274 | E270-Q272 VanDerWaalsContact C-N 3.31Å; E270-Q272 PolarHBondContact O-N 2.83Å; E270-A273 PolarHBondContact O-N 3Å; E270-L274 PolarHBondContact O-N 3.3Å |
| 271 | A | 63.3 | Low | 61 | Low | 41 Ų | 41 | 89.7 Ų | 89.7 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L267 L275 | L267-A271 PolarHBondContact O-N 3.07Å; A271-L275 WeakPolarHBondContact O-CD1 3.17Å; A271-L275 PolarHBondContact O-N 3.49Å |
| 272 | Q | 67.8 | Low | 63 | Low | 127 Ų | 127 | 84.6 Ų | 84.6 | 59% | 0.593 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70.4 | -36.6 | 174.9 | -76.5 | 173.6 | 23.3 | 0 | 0 | 113.1 | D268 K269 E270 L275 A276 | D268-Q272 WeakPolarHBondContact O-CB 3.33Å; D268-Q272 WeakPolarHBondContact O-CG 3.45Å; D268-Q272 PolarHBondContact O-N 2.95Å; K269-Q272 PolarHBondContact O-N 3.36Å; E270-Q272 VanDerWaalsContact C-N 3.31Å; E270-Q272 PolarHBondContact O-N 2.83Å; Q272-L275 WeakPolarHBondContact O-CA 3.13Å; Q272-L275 PolarHBondContact O-N 2.71Å; Q272-A276 PolarHBondContact O-N 2.81Å |
| 273 | A | 67.2 | Low | 65.1 | Low | 64 Ų | 64 | 86.5 Ų | 86.5 | 53% | 0.529 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K269 E270 A276 L277 | K269-A273 WeakPolarHBondContact O-CB 3.22Å; K269-A273 PolarHBondContact O-N 2.85Å; E270-A273 PolarHBondContact O-N 3Å; A273-A276 PolarHBondContact O-N 3.15Å; A273-L277 PolarHBondContact O-N 2.88Å; A273-L277 VanDerWaalsContact O-N 3.08Å |
| 274 | L | 70.7 | Confident | 67.4 | Low | 48 Ų | 48 | 78 Ų | 78 | 25% | 0.251 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 172.9 | -146.1 | 80.1 | 0 | 0 | 0 | 111.9 | E270 A276 L277 L278 P318 L369 | E270-L274 PolarHBondContact O-N 3.3Å; L274-A276 VanDerWaalsContact C-N 3.33Å; L274-A276 PolarHBondContact O-N 3.17Å; L274-L277 PolarHBondContact O-N 2.77Å; L274-L278 HydrophobicContact CD2-CD1 4.23Å; L274-L278 HydrophobicContact CG-CD1 4.19Å; L274-L278 WeakPolarHBondContact O-CB 3.29Å; L274-L278 VanDerWaalsContact O-CG 3.29Å; L274-L278 WeakPolarHBondContact O-CG 3.2Å; L274-L278 PolarHBondContact O-N 3.11Å; L274-P318 HydrophobicContact CD1-CG 3.76Å; L274-L369 HydrophobicContact CB-CD1 4.48Å; L274-L369 HydrophobicContact CD2-CD1 3.86Å |
| 275 | L | 72.5 | Confident | 68.9 | Low | 58 Ų | 58 | 80.3 Ų | 80.3 | 30% | 0.304 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -33.7 | -60.2 | 161.1 | 62.8 | 60.1 | 0 | 0 | 0 | 114.1 | A271 Q272 S279 L369 L370 | A271-L275 WeakPolarHBondContact O-CD1 3.17Å; A271-L275 PolarHBondContact O-N 3.49Å; Q272-L275 WeakPolarHBondContact O-CA 3.13Å; Q272-L275 PolarHBondContact O-N 2.71Å; L275-S279 WeakPolarHBondContact O-CB 3.47Å; L275-S279 PolarHBondContact O-N 3.26Å; L275-S279 PolarHBondContact O-OG 2.94Å; L275-L369 HydrophobicContact CD2-CB 3.83Å; L275-L369 HydrophobicContact CD2-CD2 3.82Å; L275-L369 HydrophobicContact CD2-CG 4.34Å; L275-L369 HydrophobicContact CG-CB 4.26Å; L275-L369 HydrophobicContact CG-CD2 4.11Å; L275-L370 VanDerWaalsContact CD2-O 3.29Å; L275-L370 WeakPolarHBondContact CD2-O 3.22Å |
| 276 | A | 71 | Confident | 70.6 | Confident | 59 Ų | 59 | 72.2 Ų | 72.2 | 49% | 0.488 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.6 | -42.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q272 A273 L274 S279 | Q272-A276 PolarHBondContact O-N 2.81Å; A273-A276 PolarHBondContact O-N 3.15Å; L274-A276 VanDerWaalsContact C-N 3.33Å; L274-A276 PolarHBondContact O-N 3.17Å; A276-S279 PolarHBondContact O-N 3.02Å |
| 277 | L | 75.8 | Confident | 72 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.8 | -53.1 | 176.4 | 179.4 | 70.5 | 0 | 0 | 0 | 111.6 | A273 L274 S279 N280 P301 R303 L317 | A273-L277 PolarHBondContact O-N 2.88Å; A273-L277 VanDerWaalsContact O-N 3.08Å; L274-L277 PolarHBondContact O-N 2.77Å; L277-S279 PolarHBondContact O-N 3.04Å; L277-N280 PolarHBondContact O-N 2.9Å; L277-P301 WeakPolarHBondContact O-CB 3.2Å; L277-R303 HydrophobicContact CD1-CB 4.28Å; L277-L317 HydrophobicContact CD1-CD2 4.11Å; L277-L317 HydrophobicContact CD2-CD2 3.68Å |
| 278 | L | 75.4 | Confident | 73.4 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.7 | -27.1 | -178.7 | -67.8 | 165.8 | 0 | 0 | 0 | 112.9 | L274 N280 L321 C366 L369 | L274-L278 HydrophobicContact CD2-CD1 4.23Å; L274-L278 HydrophobicContact CG-CD1 4.19Å; L274-L278 WeakPolarHBondContact O-CB 3.29Å; L274-L278 VanDerWaalsContact O-CG 3.29Å; L274-L278 WeakPolarHBondContact O-CG 3.2Å; L274-L278 PolarHBondContact O-N 3.11Å; L278-N280 VanDerWaalsContact C-N 3.29Å; L278-N280 PolarHBondContact O-N 2.93Å; L278-L321 HydrophobicContact CD2-CD2 3.46Å; L278-L321 VanDerWaalsContact CD2-CD2 3.46Å; L278-C366 HydrophobicContact CD1-CB 4.01Å; L278-C366 HydrophobicContact CD2-CB 3.73Å; L278-C366 HydrophobicContact CG-CB 4.49Å; L278-L369 HydrophobicContact CD1-CB 3.98Å |
| 279 | S | 78.3 | Confident | 74.5 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -12.7 | 176.9 | -61.6 | 0 | 0 | 0 | 0 | 113.9 | L275 A276 L277 I281 S372 | L275-S279 WeakPolarHBondContact O-CB 3.47Å; L275-S279 PolarHBondContact O-N 3.26Å; L275-S279 PolarHBondContact O-OG 2.94Å; A276-S279 PolarHBondContact O-N 3.02Å; L277-S279 PolarHBondContact O-N 3.04Å; S279-I281 VanDerWaalsContact C-N 3.29Å; S279-I281 PolarHBondContact O-N 2.85Å; S279-S372 PolarHBondContact OG-N 2.87Å; S279-S372 PolarHBondContact OG-OG 3.2Å |
| 280 | N | 77.4 | Confident | 75.6 | Confident | 77 Ų | 77 | 64 Ų | 64 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | trans | -92.2 | 49.2 | -175.8 | -162.2 | 26.6 | 0 | 0 | 0 | 112.4 | L277 L278 P301 T302 | L277-N280 PolarHBondContact O-N 2.9Å; L278-N280 VanDerWaalsContact C-N 3.29Å; L278-N280 PolarHBondContact O-N 2.93Å; N280-P301 WeakPolarHBondContact O-CA 3.15Å; N280-T302 PolarHBondContact ND2-O 2.84Å; N280-T302 PolarHBondContact ND2-OG1 3.34Å | ||
| 281 | I | 80.3 | Confident | 76.5 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 142.6 | 177.7 | -169.4 | 177.2 | 0 | 0 | 0 | 111.3 | S279 Y323 V362 A364 | S279-I281 VanDerWaalsContact C-N 3.29Å; S279-I281 PolarHBondContact O-N 2.85Å; I281-Y323 HydrophobicContact CD1-CD1 3.85Å; I281-Y323 HydrophobicContact CD1-CE1 4.08Å; I281-V362 HydrophobicContact CD1-CB 4.21Å; I281-V362 HydrophobicContact CD1-CG1 3.86Å; I281-A364 HydrophobicContact CD1-CB 4.25Å |
| 282 | S | 76.2 | Confident | 77.4 | Confident | 42 Ų | 42 | 62.3 Ų | 62.3 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 164.6 | 178.2 | 70.2 | 0 | 0 | 0 | 0 | 113.2 | S299 S374 | S282-S299 WeakPolarHBondContact CB-OG 3.43Å; S282-S299 PolarHBondContact OG-N 2.78Å; S282-S299 PolarHBondContact OG-OG 3.04Å; S282-S374 WeakPolarHBondContact O-CB 3.29Å |
| 283 | K | 76.6 | Confident | 78.1 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 44% | 0.435 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 132.3 | 172.3 | -174.5 | 172.6 | -169.6 | 156.8 | 0 | 110.3 | E375 S376 | K283-E375 HydrophobicContact CB-CB 3.96Å; K283-E375 HydrophobicContact CD-CB 3.81Å; K283-E375 HydrophobicContact CD-CG 4.49Å; K283-E375 HydrophobicContact CG-CB 3.75Å; K283-E375 IonicContact NZ-OE2 2.7Å; K283-E375 PolarHBondContact NZ-OE2 3.08Å; K283-S376 WeakPolarHBondContact CE-O 3.32Å; K283-S376 PolarHBondContact NZ-O 2.67Å |
| 284 | P | 83.4 | Confident | 78.9 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 158.6 | 177.8 | 30 | -36.7 | 0 | 0 | 0 | 113.2 | V296 S297 W298 V362 S374 E375 V377 | P284-V296 HydrophobicContact CB-CG1 3.97Å; P284-S297 CarbonylContact C-O 3.43Å; P284-S297 WeakPolarHBondContact CA-O 3.23Å; P284-S297 WeakPolarHBondContact CB-O 3.36Å; P284-W298 HydrophobicContact CB-CB 4.28Å; P284-V362 HydrophobicContact CB-CG2 3.92Å; P284-V362 HydrophobicContact CG-CG2 4.06Å; P284-S374 VanDerWaalsContact CD-OG 3.29Å; P284-S374 WeakPolarHBondContact CD-OG 3.45Å; P284-E375 WeakPolarHBondContact CD-O 3.34Å; P284-V377 HydrophobicContact CB-CG1 4.42Å; P284-V377 HydrophobicContact CG-CB 4.48Å; P284-V377 HydrophobicContact CG-CG1 3.9Å; P284-V377 WeakPolarHBondContact O-CB 3.43Å |
| 285 | M | 78.9 | Confident | 79.7 | Confident | 136 Ų | 136 | 53.2 Ų | 53.2 | 67% | 0.67 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 157 | 173.2 | -65.3 | -177.6 | 63.3 | 0 | 0 | 110.7 | V296 S297 | M285-V296 CarbonylContact O-C 3.49Å; M285-V296 VanDerWaalsContact O-CA 3.3Å; M285-V296 WeakPolarHBondContact O-CA 3.42Å; M285-V296 WeakPolarHBondContact O-CG1 3.42Å; M285-S297 PolarHBondContact N-O 2.65Å; M285-S297 PolarHBondContact O-N 2.84Å |
| 286 | V | 83.9 | Confident | 80.3 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 142.7 | 178.2 | -170.2 | 0 | 0 | 0 | 0 | 110.2 | I289 A294 V295 V296 V377 F379 | V286-I289 HydrophobicContact CG1-CD1 4.41Å; V286-I289 HydrophobicContact CG1-CG1 4.08Å; V286-A294 HydrophobicContact CG1-CB 4.05Å; V286-V295 CarbonylContact C-O 3.57Å; V286-V295 VanDerWaalsContact CA-O 3.29Å; V286-V295 WeakPolarHBondContact CA-O 3.2Å; V286-V295 WeakPolarHBondContact CG1-O 3.22Å; V286-V296 HydrophobicContact CG1-CG2 4.49Å; V286-V296 HydrophobicContact CG2-CG2 4.34Å; V286-V377 HydrophobicContact CG2-CB 4.4Å; V286-V377 HydrophobicContact CG2-CG1 3.45Å; V286-V377 VanDerWaalsContact CG2-CG1 3.45Å; V286-V377 HydrophobicContact CG2-CG2 4.03Å; V286-F379 HydrophobicContact CB-CD1 4.43Å; V286-F379 HydrophobicContact CG1-CB 4.2Å; V286-F379 HydrophobicContact CG1-CD1 3.81Å; V286-F379 HydrophobicContact CG1-CD2 4.47Å; V286-F379 HydrophobicContact CG1-CE1 4.25Å; V286-F379 HydrophobicContact CG1-CG 3.91Å; V286-F379 HydrophobicContact CG2-CD1 4.04Å |
| 287 | S | 80 | Confident | 80.9 | Confident | 59 Ų | 59 | 49.8 Ų | 49.8 | 41% | 0.413 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 170.3 | -178.3 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | I289 V295 | S287-I289 PolarHBondContact O-N 2.57Å; S287-V295 PolarHBondContact N-O 2.93Å; S287-V295 PolarHBondContact O-N 3.05Å |
| 288 | D | 81.5 | Confident | 81.3 | Confident | 102 Ų | 102 | 49.6 Ų | 49.6 | 55% | 0.545 | 27% | 0.265 | S | S | . | . | trans | 42.5 | 61.2 | -177.8 | -167.1 | 39.8 | 0 | 0 | 0 | 115 | Q290 A294 V295 | D288-Q290 PolarHBondContact O-N 3.05Å; D288-Q290 PolarHBondContact OD2-NE2 2.98Å; D288-A294 WeakPolarHBondContact O-CA 3.43Å; D288-V295 HydrophobicContact CB-CG2 4.28Å | ||
| 289 | I | 84.5 | Confident | 81.5 | Confident | 62 Ų | 62 | 52 Ų | 52 | 32% | 0.318 | 28% | 0.283 | S | S | . | . | trans | -83.5 | 116 | -177.9 | -57.2 | 156.8 | 0 | 0 | 0 | 110 | V286 S287 A294 F379 T380 | V286-I289 HydrophobicContact CG1-CD1 4.41Å; V286-I289 HydrophobicContact CG1-CG1 4.08Å; S287-I289 PolarHBondContact O-N 2.57Å; I289-A294 HydrophobicContact CG1-CB 4.18Å; I289-F379 HydrophobicContact CD1-CB 3.77Å; I289-F379 HydrophobicContact CD1-CD2 4.21Å; I289-F379 HydrophobicContact CD1-CG 4.33Å; I289-F379 HydrophobicContact CG1-CB 4.37Å; I289-F379 HydrophobicContact CG1-CD2 3.95Å; I289-F379 HydrophobicContact CG1-CG 4.41Å; I289-F379 HydrophobicContact CG2-CD2 3.77Å; I289-F379 HydrophobicContact CG2-CE2 4.22Å; I289-T380 VanDerWaalsContact CG2-O 3.27Å; I289-T380 WeakPolarHBondContact CG2-O 3.32Å | ||
| 290 | Q | 82.3 | Confident | 81.3 | Confident | 103 Ų | 103 | 52.2 Ų | 52.2 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | trans | -106.8 | -178.1 | 179.9 | -54.6 | -173.5 | 15 | 0 | 0 | 111 | D288 R292 G293 T381 L382 | D288-Q290 PolarHBondContact O-N 3.05Å; D288-Q290 PolarHBondContact OD2-NE2 2.98Å; Q290-R292 VanDerWaalsContact C-N 3.25Å; Q290-R292 PolarHBondContact O-N 2.78Å; Q290-G293 PolarHBondContact N-O 2.83Å; Q290-T381 WeakPolarHBondContact O-CB 3.25Å; Q290-L382 PolarHBondContact O-N 3.07Å | ||
| 291 | A | 79 | Confident | 81.3 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 19% | 0.19 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -68.4 | -23.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P354 L382 C384 | A291-P354 VanDerWaalsContact O-CA 3.25Å; A291-P354 WeakPolarHBondContact O-CA 3.48Å; A291-L382 WeakPolarHBondContact CA-O 3.37Å; A291-L382 HydrophobicContact CB-CB 4.15Å; A291-L382 WeakPolarHBondContact CB-O 3.35Å; A291-C384 HydrophobicContact CB-CB 4.3Å |
| 292 | R | 82.1 | Confident | 80.7 | Confident | 124 Ų | 124 | 52.6 Ų | 52.6 | 47% | 0.468 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -138 | 18.7 | -177.6 | -58.1 | -168.6 | -179.4 | -124.6 | 2 | 114.4 | Q290 E350 N351 L352 P354 | Q290-R292 VanDerWaalsContact C-N 3.25Å; Q290-R292 PolarHBondContact O-N 2.78Å; R292-E350 CarbonylContact O-C 3.57Å; R292-N351 PolarHBondContact O-N 2.99Å; R292-L352 WeakPolarHBondContact CA-O 3.47Å; R292-L352 WeakPolarHBondContact CB-O 3.48Å; R292-L352 WeakPolarHBondContact CG-O 3.32Å; R292-L352 PolarHBondContact O-N 3.27Å; R292-P354 HydrophobicContact CG-CG 4.15Å |
| 293 | G | 83.5 | Confident | 80 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 166.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q290 L349 | Q290-G293 PolarHBondContact N-O 2.83Å; G293-L349 CarbonylContact C-O 3.52Å; G293-L349 WeakPolarHBondContact CA-O 3.4Å |
| 294 | A | 84.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 156.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V286 D288 I289 L349 L352 F379 | V286-A294 HydrophobicContact CG1-CB 4.05Å; D288-A294 WeakPolarHBondContact O-CA 3.43Å; I289-A294 HydrophobicContact CG1-CB 4.18Å; A294-L349 PolarHBondContact N-O 3.38Å; A294-L349 WeakPolarHBondContact O-CA 3.05Å; A294-L349 WeakPolarHBondContact O-CB 3.25Å; A294-L349 PolarHBondContact O-N 3.44Å; A294-L352 HydrophobicContact CB-CD1 4.24Å; A294-F379 HydrophobicContact CB-CD2 4.07Å; A294-F379 HydrophobicContact CB-CE1 4.29Å; A294-F379 HydrophobicContact CB-CE2 3.4Å; A294-F379 VanDerWaalsContact CB-CE2 3.4Å; A294-F379 HydrophobicContact CB-CZ 3.53Å |
| 295 | V | 85.8 | Confident | 77.6 | Confident | 38 Ų | 38 | 67.9 Ų | 67.9 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140.7 | 179.6 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | V286 S287 D288 T348 | V286-V295 CarbonylContact C-O 3.57Å; V286-V295 VanDerWaalsContact CA-O 3.29Å; V286-V295 WeakPolarHBondContact CA-O 3.2Å; V286-V295 WeakPolarHBondContact CG1-O 3.22Å; S287-V295 PolarHBondContact N-O 2.93Å; S287-V295 PolarHBondContact O-N 3.05Å; D288-V295 HydrophobicContact CB-CG2 4.28Å; V295-T348 HydrophobicContact CG2-CG2 4.17Å |
| 296 | V | 85.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142.8 | -173.3 | -172.1 | 0 | 0 | 0 | 0 | 111 | P284 M285 V286 S346 A347 L349 V360 | P284-V296 HydrophobicContact CB-CG1 3.97Å; M285-V296 CarbonylContact O-C 3.49Å; M285-V296 VanDerWaalsContact O-CA 3.3Å; M285-V296 WeakPolarHBondContact O-CA 3.42Å; M285-V296 WeakPolarHBondContact O-CG1 3.42Å; V286-V296 HydrophobicContact CG1-CG2 4.49Å; V286-V296 HydrophobicContact CG2-CG2 4.34Å; V296-S346 CarbonylContact O-C 3.51Å; V296-S346 WeakPolarHBondContact O-CA 3.06Å; V296-S346 WeakPolarHBondContact O-CB 3.23Å; V296-A347 PolarHBondContact N-O 3.13Å; V296-A347 PolarHBondContact O-N 2.62Å; V296-L349 HydrophobicContact CG2-CD1 3.91Å; V296-L349 HydrophobicContact CG2-CG 4.12Å; V296-V360 HydrophobicContact CG1-CG1 4.08Å; V296-V360 HydrophobicContact CG2-CG1 4.24Å; V296-V360 HydrophobicContact CG2-CG2 4.33Å |
| 297 | S | 83.8 | Confident | 74 | Confident | 44 Ų | 44 | 73 Ų | 73 | 31% | 0.308 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 158.6 | -179.3 | 58 | 0 | 0 | 0 | 0 | 114.3 | P284 M285 L345 | P284-S297 CarbonylContact C-O 3.43Å; P284-S297 WeakPolarHBondContact CA-O 3.23Å; P284-S297 WeakPolarHBondContact CB-O 3.36Å; M285-S297 PolarHBondContact N-O 2.65Å; M285-S297 PolarHBondContact O-N 2.84Å; S297-L345 CarbonylContact C-O 3.6Å; S297-L345 VanDerWaalsContact CA-O 3.23Å; S297-L345 WeakPolarHBondContact CA-O 3.42Å; S297-L345 WeakPolarHBondContact CB-O 3.2Å |
| 298 | W | 84.7 | Confident | 72 | Confident | 20 Ų | 20 | 77 Ų | 77 | 8% | 0.076 | 42% | 0.421 | C | S | . | . | trans | -153.3 | -171.2 | -174.4 | 56.7 | 95.5 | 0 | 0 | 0 | 112.8 | P284 Y323 V325 V342 E344 L345 S346 A347 V362 | P284-W298 HydrophobicContact CB-CB 4.28Å; W298-Y323 AromaticContact CD1-CD1 3.91Å; W298-Y323 AromaticContact CE2-CG 3.92Å; W298-Y323 HydrophobicContact CZ2-CD2 4.3Å; W298-Y323 HydrophobicContact CZ2-CG 4.1Å; W298-Y323 AromaticContact NE1-CD1 3.32Å; W298-Y323 VanDerWaalsContact NE1-CD1 3.32Å; W298-Y323 AromaticContact NE1-CD2 3.53Å; W298-Y323 AromaticContact NE1-CE1 3.77Å; W298-Y323 AromaticContact NE1-CE2 3.98Å; W298-Y323 AromaticContact NE1-CG 3.2Å; W298-V325 HydrophobicContact CE3-CG2 4.49Å; W298-V325 HydrophobicContact CH2-CG2 3.27Å; W298-V325 HydrophobicContact CZ2-CG2 4.04Å; W298-V325 HydrophobicContact CZ3-CG2 3.53Å; W298-V342 HydrophobicContact CH2-CG2 3.75Å; W298-V342 HydrophobicContact CZ2-CG2 3.73Å; W298-E344 WeakPolarHBondContact CZ2-O 3.43Å; W298-L345 PolarHBondContact N-O 2.92Å; W298-S346 VanDerWaalsContact CH2-C 3.49Å; W298-A347 HydrophobicContact CH2-CB 4.14Å; W298-A347 HydrophobicContact CZ3-CB 4.34Å; W298-V362 HydrophobicContact CD2-CB 4.31Å; W298-V362 HydrophobicContact CD2-CG1 3.78Å; W298-V362 HydrophobicContact CD2-CG2 3.87Å; W298-V362 HydrophobicContact CE3-CG1 4.27Å; W298-V362 HydrophobicContact CE3-CG2 3.62Å; W298-V362 HydrophobicContact CG-CB 4.42Å; W298-V362 HydrophobicContact CG-CG1 4.03Å; W298-V362 HydrophobicContact CG-CG2 4.3Å; W298-V362 HydrophobicContact CZ2-CG1 4.14Å; W298-V362 HydrophobicContact CZ3-CG2 4.11Å | ||
| 299 | S | 79.5 | Confident | 70.1 | Confident | 54 Ų | 54 | 79.2 Ų | 79.2 | 38% | 0.378 | 43% | 0.432 | S | S | . | . | trans | -132.4 | 159.5 | 175.4 | 73.3 | 0 | 0 | 0 | 0 | 113 | S282 | S282-S299 WeakPolarHBondContact CB-OG 3.43Å; S282-S299 PolarHBondContact OG-N 2.78Å; S282-S299 PolarHBondContact OG-OG 3.04Å | ||
| 300 | A | 74.4 | Confident | 67.9 | Low | 46 Ų | 46 | 80.6 Ų | 80.6 | 38% | 0.38 | 45% | 0.453 | S | S | . | . | trans | -70.4 | 159.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y323 | A300-Y323 WeakPolarHBondContact CB-OH 3.47Š| ||
| 301 | P | 76.9 | Confident | 66 | Low | 15 Ų | 15 | 82.6 Ų | 82.6 | 10% | 0.097 | 47% | 0.472 | C | S | . | . | trans | -76.8 | 154.4 | -175.8 | -12.2 | 29.2 | 0 | 0 | 0 | 114.5 | L277 N280 A364 | L277-P301 WeakPolarHBondContact O-CB 3.2Å; N280-P301 WeakPolarHBondContact O-CA 3.15Å; P301-A364 HydrophobicContact CG-CB 4.04Å | ||
| 302 | T | 67.9 | Low | 64.5 | Low | 89 Ų | 89 | 90.7 Ų | 90.7 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | trans | -128.7 | 154.5 | -176.4 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | N280 | N280-T302 PolarHBondContact ND2-O 2.84Å; N280-T302 PolarHBondContact ND2-OG1 3.34Å | ||
| 303 | R | 60.8 | Low | 62.5 | Low | 165 Ų | 165 | 92.6 Ų | 92.6 | 62% | 0.623 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 137.1 | -177.3 | -154.4 | 174.2 | -167.4 | 160.8 | 3.9 | 110.3 | L277 T315 | L277-R303 HydrophobicContact CD1-CB 4.28Å; R303-T315 PolarHBondContact NH1-O 2.86Å; R303-T315 VanDerWaalsContact NH1-O 3.12Å |
| 304 | P | 58.7 | Low | 60.8 | Low | 101 Ų | 101 | 98.9 Ų | 98.9 | 66% | 0.656 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 149.7 | 179.6 | 30.1 | -35.5 | 0 | 0 | 0 | 112.7 | ||
| 305 | E | 50.5 | Low | 59.2 | Low | 200 Ų | 200 | 103.3 Ų | 103.3 | 94% | 0.935 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 132.5 | -176.2 | -60.9 | -175.7 | 144 | 0 | 0 | 113 | ||
| 306 | G | 49.5 | Very low | 57.8 | Low | 78 Ų | 78 | 106.8 Ų | 106.8 | 80% | 0.804 | 61% | 0.61 | S | S | * | * | trans | 110.1 | 82.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 307 | E | 39 | Very low | 56.6 | Low | 200 Ų | 200 | 111.9 Ų | 111.9 | 94% | 0.935 | 64% | 0.637 | S | S | * | * | trans | -149.3 | 132.9 | 141.4 | -132.8 | 174.2 | -147.5 | 0 | 0 | 109.9 | ||||
| 308 | N | 36.9 | Very low | 55.5 | Low | 144 Ų | 144 | 111.7 Ų | 111.7 | 77% | 0.77 | 64% | 0.635 | S | S | * | * | trans | -106.9 | 148.4 | -173.7 | -76.2 | -28.1 | 0 | 0 | 0 | 109.8 | ||||
| 309 | N | 41.9 | Very low | 54.4 | Low | 147 Ų | 147 | 120.4 Ų | 120.4 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | cis | -161.3 | 172.2 | 2.8 | -125.7 | -25.2 | 0 | 0 | 0 | 110.9 | ||||
| 310 | A | 37.8 | Very low | 54 | Low | 91 Ų | 91 | 122.2 Ų | 122.2 | 75% | 0.752 | 68% | 0.681 | S | S | * | * | trans | 74 | 89.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 311 | V | 42.3 | Very low | 54 | Low | 146 Ų | 146 | 122.1 Ų | 122.1 | 89% | 0.885 | 68% | 0.675 | S | S | * | * | -157.7 | 148.1 | 113.4 | 146.1 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 312 | E | 49.2 | Very low | 54.1 | Low | 193 Ų | 193 | 122.7 Ų | 122.7 | 90% | 0.902 | 68% | 0.679 | S | S | * | * | trans | -87.7 | 125.1 | 177 | -62 | 176.3 | 140.9 | 0 | 0 | 110.8 | ||||
| 313 | D | 40.3 | Very low | 54.8 | Low | 164 Ų | 164 | 119 Ų | 119 | 88% | 0.877 | 66% | 0.655 | S | S | * | * | trans | -158.3 | 160.8 | 153.1 | -148.1 | -12.6 | 0 | 0 | 0 | 111 | ||||
| 314 | D | 47.7 | Very low | 55.9 | Low | 140 Ų | 140 | 113.6 Ų | 113.6 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | trans | -99.4 | 134.1 | -163.7 | -172.2 | 14.1 | 0 | 0 | 0 | 114.2 | ||||
| 315 | T | 50.1 | Low | 57.2 | Low | 95 Ų | 95 | 108.8 Ų | 108.8 | 58% | 0.583 | 61% | 0.605 | S | S | * | * | trans | -159.4 | 116.5 | 167 | 30.7 | 0 | 0 | 0 | 0 | 112.8 | R303 | R303-T315 PolarHBondContact NH1-O 2.86Å; R303-T315 VanDerWaalsContact NH1-O 3.12Å | ||
| 316 | S | 55.7 | Low | 58.7 | Low | 110 Ų | 110 | 99.5 Ų | 99.5 | 77% | 0.769 | 56% | 0.563 | S | S | * | * | trans | -85.5 | 176.8 | 173.9 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 317 | L | 60.4 | Low | 60.5 | Low | 107 Ų | 107 | 97.2 Ų | 97.2 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | trans | -73.8 | 149.5 | 172.5 | -67.8 | 171 | 0 | 0 | 0 | 111.2 | L277 | L277-L317 HydrophobicContact CD1-CD2 4.11Å; L277-L317 HydrophobicContact CD2-CD2 3.68Å | ||
| 318 | P | 61.8 | Low | 62.6 | Low | 41 Ų | 41 | 87.8 Ų | 87.8 | 27% | 0.266 | 49% | 0.487 | S | S | . | . | trans | -69.4 | 143.2 | 173.5 | -12.9 | 27.5 | 0 | 0 | 0 | 112.2 | L274 | L274-P318 HydrophobicContact CD1-CG 3.76Š| ||
| 319 | E | 60.2 | Low | 64.8 | Low | 202 Ų | 202 | 84 Ų | 84 | 94% | 0.944 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -80.8 | -18.1 | -179.6 | -59.9 | -171.9 | 136 | 0 | 0 | 113.9 | ||
| 320 | D | 70.8 | Confident | 66.7 | Low | 92 Ų | 92 | 82.6 Ų | 82.6 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | trans | -110.7 | 89.9 | -170.4 | -160.3 | -4.5 | 0 | 0 | 0 | 112.4 | C366 | D320-C366 PolarHBondContact O-SG 3.37Š| ||
| 321 | L | 76.4 | Confident | 68.4 | Low | 45 Ų | 45 | 79.5 Ų | 79.5 | 24% | 0.236 | 44% | 0.436 | C | S | . | . | trans | -117.5 | 145.8 | -178.1 | -81 | 160.6 | 0 | 0 | 0 | 111.6 | L278 H343 C366 | L278-L321 HydrophobicContact CD2-CD2 3.46Å; L278-L321 VanDerWaalsContact CD2-CD2 3.46Å; L321-H343 PolarHBondContact O-ND1 3.35Å; L321-C366 HydrophobicContact CD2-CB 4.14Å | ||
| 322 | S | 78.1 | Confident | 69.8 | Low | 27 Ų | 27 | 77 Ų | 77 | 19% | 0.189 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 165.6 | 174.3 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | A364 A365 | S322-A364 CarbonylContact O-C 3.55Å; S322-A364 WeakPolarHBondContact O-CA 3.19Å; S322-A365 PolarHBondContact N-O 2.6Å; S322-A365 PolarHBondContact O-N 2.68Å; S322-A365 PolarHBondContact OG-O 2.75Å |
| 323 | Y | 82.4 | Confident | 70.9 | Confident | 10 Ų | 10 | 75.2 Ų | 75.2 | 4% | 0.039 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.5 | -173.7 | -55 | -81.1 | 0 | 0 | 0 | 111.7 | I281 W298 A300 S341 V342 E344 L345 V362 Q363 A364 | I281-Y323 HydrophobicContact CD1-CD1 3.85Å; I281-Y323 HydrophobicContact CD1-CE1 4.08Å; W298-Y323 AromaticContact CD1-CD1 3.91Å; W298-Y323 AromaticContact CE2-CG 3.92Å; W298-Y323 HydrophobicContact CZ2-CD2 4.3Å; W298-Y323 HydrophobicContact CZ2-CG 4.1Å; W298-Y323 AromaticContact NE1-CD1 3.32Å; W298-Y323 VanDerWaalsContact NE1-CD1 3.32Å; W298-Y323 AromaticContact NE1-CD2 3.53Å; W298-Y323 AromaticContact NE1-CE1 3.77Å; W298-Y323 AromaticContact NE1-CE2 3.98Å; W298-Y323 AromaticContact NE1-CG 3.2Å; A300-Y323 WeakPolarHBondContact CB-OH 3.47Å; Y323-S341 CarbonylContact O-C 3.44Å; Y323-S341 WeakPolarHBondContact O-CA 3.35Å; Y323-V342 PolarHBondContact N-O 3.39Å; Y323-V342 PolarHBondContact O-N 2.96Å; Y323-E344 WeakPolarHBondContact CD2-O 3.13Å; Y323-L345 HydrophobicContact CD2-CD2 4.41Å; Y323-L345 HydrophobicContact CE1-CD2 4.39Å; Y323-L345 HydrophobicContact CE2-CD2 3.69Å; Y323-V362 HydrophobicContact CD1-CG1 4.4Å; Y323-Q363 CarbonylContact C-O 3.57Å; Y323-Q363 VanDerWaalsContact CA-O 3.32Å; Y323-Q363 WeakPolarHBondContact CA-O 3.06Å; Y323-A364 HydrophobicContact CD1-CB 3.93Å; Y323-A364 HydrophobicContact CE1-CB 3.91Å |
| 324 | E | 83.8 | Confident | 72.4 | Confident | 52 Ų | 52 | 68.1 Ų | 68.1 | 24% | 0.243 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.8 | 170.3 | -56.9 | -155.9 | 156.6 | 0 | 0 | 110.7 | N338 S341 V362 Q363 | E324-N338 PolarHBondContact OE2-ND2 2.92Å; E324-S341 PolarHBondContact OE1-OG 2.84Å; E324-V362 CarbonylContact O-C 3.49Å; E324-V362 VanDerWaalsContact O-CA 3.25Å; E324-V362 WeakPolarHBondContact O-CA 3.29Å; E324-Q363 PolarHBondContact N-O 2.97Å; E324-Q363 PolarHBondContact O-N 3.2Å |
| 325 | V | 85.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 137.8 | 175.5 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | W298 V339 V342 A347 V360 V362 | W298-V325 HydrophobicContact CE3-CG2 4.49Å; W298-V325 HydrophobicContact CH2-CG2 3.27Å; W298-V325 HydrophobicContact CZ2-CG2 4.04Å; W298-V325 HydrophobicContact CZ3-CG2 3.53Å; V325-V339 HydrophobicContact CB-CB 4.44Å; V325-V339 PolarHBondContact O-N 3.03Å; V325-V342 HydrophobicContact CG2-CG2 4.48Å; V325-A347 HydrophobicContact CG2-CB 4.01Å; V325-V360 HydrophobicContact CG1-CG1 3.69Å; V325-V362 HydrophobicContact CG1-CG2 4.38Å; V325-V362 HydrophobicContact CG2-CG1 4.44Å; V325-V362 HydrophobicContact CG2-CG2 4.2Å |
| 326 | A | 82.8 | Confident | 75.5 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 140.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y336 Q337 N338 V360 R361 | A326-Y336 HydrophobicContact CB-CD1 4.34Å; A326-Y336 WeakPolarHBondContact O-CD1 3.46Å; A326-Q337 CarbonylContact C-O 3.58Å; A326-Q337 VanDerWaalsContact CA-O 3.24Å; A326-Q337 WeakPolarHBondContact CA-O 3.29Å; A326-N338 HydrophobicContact CB-CB 4.46Å; A326-N338 WeakPolarHBondContact CB-OD1 3.42Å; A326-V360 CarbonylContact O-C 3.46Å; A326-V360 WeakPolarHBondContact O-CA 3.31Å; A326-V360 WeakPolarHBondContact O-CG1 3.48Å; A326-R361 HydrophobicContact CB-CG 4.47Å; A326-R361 PolarHBondContact N-O 3.19Å; A326-R361 PolarHBondContact O-N 2.94Å |
| 327 | F | 86.6 | Confident | 76.6 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.2 | -178.8 | 70.7 | -100.6 | 0 | 0 | 0 | 115.1 | Y336 Q337 V339 L349 Y358 H359 V360 | F327-Y336 CarbonylContact O-C 3.38Å; F327-Y336 VanDerWaalsContact O-CA 3.27Å; F327-Y336 WeakPolarHBondContact O-CA 3.23Å; F327-Q337 HydrophobicContact CE2-CB 4.43Å; F327-Q337 HydrophobicContact CZ-CB 4.45Å; F327-Q337 PolarHBondContact N-O 3.48Å; F327-Q337 PolarHBondContact O-N 2.91Å; F327-V339 HydrophobicContact CD1-CG2 3.67Å; F327-V339 HydrophobicContact CE1-CG2 3.65Å; F327-L349 HydrophobicContact CB-CD1 4.45Å; F327-L349 HydrophobicContact CD1-CD1 4.28Å; F327-L349 HydrophobicContact CD1-CD2 3.82Å; F327-L349 HydrophobicContact CE1-CD2 4.24Å; F327-Y358 AromaticContact CD2-CD1 3.73Å; F327-Y358 HydrophobicContact CD2-CD1 3.73Å; F327-Y358 AromaticContact CD2-CE1 3.83Å; F327-Y358 HydrophobicContact CD2-CE1 3.83Å; F327-Y358 HydrophobicContact CE2-CD1 4.25Å; F327-Y358 AromaticContact CE2-CE1 3.87Å; F327-Y358 HydrophobicContact CE2-CE1 3.87Å; F327-Y358 HydrophobicContact CG-CD1 4.43Å; F327-H359 CarbonylContact C-O 3.49Å; F327-H359 WeakPolarHBondContact CA-O 3.38Å; F327-H359 WeakPolarHBondContact CB-O 3.21Å; F327-V360 HydrophobicContact CB-CG1 4.37Å; F327-V360 HydrophobicContact CB-CG2 4.02Å |
| 328 | S | 83.1 | Confident | 77.4 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.014 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 131.9 | -178 | 168.5 | 0 | 0 | 0 | 0 | 111 | N330 G331 H359 | S328-N330 PolarHBondContact OG-N 2.82Å; S328-N330 VanDerWaalsContact OG-N 3.11Å; S328-G331 PolarHBondContact OG-O 2.82Å; S328-H359 PolarHBondContact N-O 2.96Å; S328-H359 PolarHBondContact O-N 3.13Å |
| 329 | I | 84.3 | Confident | 77.9 | Confident | 63 Ų | 63 | 66.3 Ų | 66.3 | 32% | 0.323 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -90.5 | -2.3 | 168 | 60.2 | 173.2 | 0 | 0 | 0 | 113.3 | T356 D357 Y358 | I329-T356 HydrophobicContact CB-CG2 4.44Å; I329-T356 HydrophobicContact CG2-CG2 4.06Å; I329-D357 WeakPolarHBondContact CA-O 3.41Å; I329-Y358 HydrophobicContact CG2-CD1 3.48Å; I329-Y358 VanDerWaalsContact CG2-CD1 3.48Å; I329-Y358 HydrophobicContact CG2-CD2 4.17Å; I329-Y358 HydrophobicContact CG2-CE1 3.16Å; I329-Y358 HydrophobicContact CG2-CE2 3.91Å; I329-Y358 HydrophobicContact CG2-CG 3.97Å |
| 330 | N | 80 | Confident | 78.3 | Confident | 118 Ų | 118 | 63.3 Ų | 63.3 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -107.7 | 35.8 | -171.2 | -67 | -34.5 | 0 | 0 | 0 | 111.8 | S328 G334 | S328-N330 PolarHBondContact OG-N 2.82Å; S328-N330 VanDerWaalsContact OG-N 3.11Å; N330-G334 WeakPolarHBondContact O-CA 3.47Å |
| 331 | G | 74.7 | Confident | 78.4 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | trans | 81.6 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S328 D333 G334 H359 | S328-G331 PolarHBondContact OG-O 2.82Å; G331-D333 VanDerWaalsContact C-N 3.26Å; G331-D333 PolarHBondContact O-N 2.87Å; G331-G334 PolarHBondContact O-N 2.78Å; G331-G334 VanDerWaalsContact O-N 3.12Å; G331-H359 VanDerWaalsContact C-CD2 3.47Å; G331-H359 WeakPolarHBondContact CA-NE2 3.41Å | ||
| 332 | K | 71 | Confident | 78.5 | Confident | 92 Ų | 92 | 61.9 Ų | 61.9 | 40% | 0.4 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.9 | -179.6 | 174.8 | 165 | -171.9 | 179.2 | 0 | 113.5 | Y336 E375 S376 | K332-Y336 WeakPolarHBondContact O-CE2 3.24Å; K332-Y336 VanDerWaalsContact O-CZ 3.32Å; K332-Y336 PolarHBondContact O-OH 2.94Å; K332-E375 IonicContact NZ-OE1 2.66Å; K332-E375 PolarHBondContact NZ-OE1 3.3Å; K332-S376 VanDerWaalsContact CD-OG 3.31Å; K332-S376 WeakPolarHBondContact CD-OG 3.2Å; K332-S376 VanDerWaalsContact CE-OG 3.29Å; K332-S376 WeakPolarHBondContact CE-OG 3.43Å; K332-S376 VanDerWaalsContact CG-OG 3.31Å; K332-S376 WeakPolarHBondContact CG-OG 3.48Å |
| 333 | D | 73.3 | Confident | 78.2 | Confident | 156 Ų | 156 | 66.8 Ų | 66.8 | 83% | 0.834 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 9.2 | -178.6 | -50.8 | -66.2 | 0 | 0 | 0 | 112.6 | G331 | G331-D333 VanDerWaalsContact C-N 3.26Å; G331-D333 PolarHBondContact O-N 2.87Å |
| 334 | G | 72 | Confident | 78.1 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -69.9 | 168.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N330 G331 Y336 | N330-G334 WeakPolarHBondContact O-CA 3.47Å; G331-G334 PolarHBondContact O-N 2.78Å; G331-G334 VanDerWaalsContact O-N 3.12Å; G334-Y336 WeakPolarHBondContact O-CD2 3.19Å; G334-Y336 WeakPolarHBondContact O-CE2 3.32Å; G334-Y336 PolarHBondContact O-N 3Å |
| 335 | K | 78.3 | Confident | 78 | Confident | 168 Ų | 168 | 73.9 Ų | 73.9 | 73% | 0.73 | 39% | 0.385 | S | S | * | . | trans | -69.8 | 103.1 | 174.1 | -175 | 173.9 | -178.8 | 175.4 | 0 | 110.2 | ||||
| 336 | Y | 83.1 | Confident | 77.7 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 9% | 0.094 | 40% | 0.402 | C | S | . | . | trans | -65.3 | 145.9 | 171.5 | -68.5 | -99 | 0 | 0 | 0 | 111.6 | A326 F327 K332 G334 H359 R361 S376 | A326-Y336 HydrophobicContact CB-CD1 4.34Å; A326-Y336 WeakPolarHBondContact O-CD1 3.46Å; F327-Y336 CarbonylContact O-C 3.38Å; F327-Y336 VanDerWaalsContact O-CA 3.27Å; F327-Y336 WeakPolarHBondContact O-CA 3.23Å; K332-Y336 WeakPolarHBondContact O-CE2 3.24Å; K332-Y336 VanDerWaalsContact O-CZ 3.32Å; K332-Y336 PolarHBondContact O-OH 2.94Å; G334-Y336 WeakPolarHBondContact O-CD2 3.19Å; G334-Y336 WeakPolarHBondContact O-CE2 3.32Å; G334-Y336 PolarHBondContact O-N 3Å; Y336-H359 HydrophobicContact CE1-CB 4.29Å; Y336-R361 HydrophobicContact CD1-CG 4.07Å; Y336-R361 HydrophobicContact CE1-CB 4.48Å; Y336-R361 HydrophobicContact CE1-CG 3.95Å; Y336-S376 WeakPolarHBondContact OH-CB 3.48Å | ||
| 337 | Q | 79.4 | Confident | 77.6 | Confident | 127 Ų | 127 | 76.8 Ų | 76.8 | 59% | 0.593 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 123.7 | 167.7 | -63.8 | -179.5 | -20 | 0 | 0 | 107.4 | A326 F327 | A326-Q337 CarbonylContact C-O 3.58Å; A326-Q337 VanDerWaalsContact CA-O 3.24Å; A326-Q337 WeakPolarHBondContact CA-O 3.29Å; F327-Q337 HydrophobicContact CE2-CB 4.43Å; F327-Q337 HydrophobicContact CZ-CB 4.45Å; F327-Q337 PolarHBondContact N-O 3.48Å; F327-Q337 PolarHBondContact O-N 2.91Å |
| 338 | N | 77.9 | Confident | 77.4 | Confident | 98 Ų | 98 | 79.2 Ų | 79.2 | 52% | 0.524 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 140 | 175.7 | -69.7 | 25.8 | 0 | 0 | 0 | 109.8 | E324 A326 | E324-N338 PolarHBondContact OE2-ND2 2.92Å; A326-N338 HydrophobicContact CB-CB 4.46Å; A326-N338 WeakPolarHBondContact CB-OD1 3.42Å |
| 339 | V | 72.6 | Confident | 77.4 | Confident | 37 Ų | 37 | 79.3 Ų | 79.3 | 22% | 0.224 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -95.8 | 155.7 | 162.8 | -177.2 | 0 | 0 | 0 | 0 | 107 | V325 F327 L349 | V325-V339 HydrophobicContact CB-CB 4.44Å; V325-V339 PolarHBondContact O-N 3.03Å; F327-V339 HydrophobicContact CD1-CG2 3.67Å; F327-V339 HydrophobicContact CE1-CG2 3.65Å; V339-L349 HydrophobicContact CG2-CD2 3.73Å |
| 340 | N | 68.6 | Low | 77.3 | Confident | 139 Ų | 139 | 83 Ų | 83 | 74% | 0.743 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 140.4 | -176.1 | -61 | -10.2 | 0 | 0 | 0 | 112.6 | ||
| 341 | S | 72.4 | Confident | 77.2 | Confident | 68 Ų | 68 | 84.5 Ų | 84.5 | 48% | 0.476 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 134.3 | 176 | -32.5 | 0 | 0 | 0 | 0 | 110.5 | Y323 E324 | Y323-S341 CarbonylContact O-C 3.44Å; Y323-S341 WeakPolarHBondContact O-CA 3.35Å; E324-S341 PolarHBondContact OE1-OG 2.84Å |
| 342 | V | 77.5 | Confident | 77.6 | Confident | 39 Ų | 39 | 83.3 Ų | 83.3 | 24% | 0.236 | 43% | 0.434 | C | S | . | . | B | Isolated β-bridge | trans | -128 | 150.7 | -177.6 | -67.5 | 0 | 0 | 0 | 0 | 111.1 | W298 Y323 V325 | W298-V342 HydrophobicContact CH2-CG2 3.75Å; W298-V342 HydrophobicContact CZ2-CG2 3.73Å; Y323-V342 PolarHBondContact N-O 3.39Å; Y323-V342 PolarHBondContact O-N 2.96Å; V325-V342 HydrophobicContact CG2-CG2 4.48Å |
| 343 | H | 73.3 | Confident | 78 | Confident | 130 Ų | 130 | 86.5 Ų | 86.5 | 60% | 0.602 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -93 | -15.6 | 173.2 | -63.8 | -92.7 | 0 | 0 | 0 | 112.7 | L321 | L321-H343 PolarHBondContact O-ND1 3.35Š|
| 344 | E | 79.1 | Confident | 78.5 | Confident | 138 Ų | 138 | 79.9 Ų | 79.9 | 65% | 0.645 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -76.6 | 166.7 | 174 | -64.9 | -175.2 | -171.9 | 0 | 0 | 112.1 | W298 Y323 S346 | W298-E344 WeakPolarHBondContact CZ2-O 3.43Å; Y323-E344 WeakPolarHBondContact CD2-O 3.13Å; E344-S346 VanDerWaalsContact C-N 3.31Å; E344-S346 PolarHBondContact O-N 3.05Å |
| 345 | L | 81.1 | Confident | 78.9 | Confident | 74 Ų | 74 | 81.5 Ų | 81.5 | 39% | 0.387 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -91.9 | 19.4 | 178.7 | -66.8 | 175.3 | 0 | 0 | 0 | 113.4 | S297 W298 Y323 | S297-L345 CarbonylContact C-O 3.6Å; S297-L345 VanDerWaalsContact CA-O 3.23Å; S297-L345 WeakPolarHBondContact CA-O 3.42Å; S297-L345 WeakPolarHBondContact CB-O 3.2Å; W298-L345 PolarHBondContact N-O 2.92Å; Y323-L345 HydrophobicContact CD2-CD2 4.41Å; Y323-L345 HydrophobicContact CE1-CD2 4.39Å; Y323-L345 HydrophobicContact CE2-CD2 3.69Å |
| 346 | S | 79.9 | Confident | 79.1 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 155.9 | -179.9 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | V296 W298 E344 | V296-S346 CarbonylContact O-C 3.51Å; V296-S346 WeakPolarHBondContact O-CA 3.06Å; V296-S346 WeakPolarHBondContact O-CB 3.23Å; W298-S346 VanDerWaalsContact CH2-C 3.49Å; E344-S346 VanDerWaalsContact C-N 3.31Å; E344-S346 PolarHBondContact O-N 3.05Å |
| 347 | A | 80.9 | Confident | 79.2 | Confident | 14 Ų | 14 | 78.5 Ų | 78.5 | 12% | 0.116 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 152.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V296 W298 V325 | V296-A347 PolarHBondContact N-O 3.13Å; V296-A347 PolarHBondContact O-N 2.62Å; W298-A347 HydrophobicContact CH2-CB 4.14Å; W298-A347 HydrophobicContact CZ3-CB 4.34Å; V325-A347 HydrophobicContact CG2-CB 4.01Å |
| 348 | T | 83.9 | Confident | 79.5 | Confident | 83 Ų | 83 | 73 Ų | 73 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 141.6 | 176.7 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | V295 E350 | V295-T348 HydrophobicContact CG2-CG2 4.17Å; T348-E350 HydrophobicContact CG2-CG 4.34Å |
| 349 | L | 82.9 | Confident | 79.8 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.7 | 174.3 | -52.2 | -178.7 | 0 | 0 | 0 | 109.6 | G293 A294 V296 F327 V339 L352 V360 F379 | G293-L349 CarbonylContact C-O 3.52Å; G293-L349 WeakPolarHBondContact CA-O 3.4Å; A294-L349 PolarHBondContact N-O 3.38Å; A294-L349 WeakPolarHBondContact O-CA 3.05Å; A294-L349 WeakPolarHBondContact O-CB 3.25Å; A294-L349 PolarHBondContact O-N 3.44Å; V296-L349 HydrophobicContact CG2-CD1 3.91Å; V296-L349 HydrophobicContact CG2-CG 4.12Å; F327-L349 HydrophobicContact CB-CD1 4.45Å; F327-L349 HydrophobicContact CD1-CD1 4.28Å; F327-L349 HydrophobicContact CD1-CD2 3.82Å; F327-L349 HydrophobicContact CE1-CD2 4.24Å; V339-L349 HydrophobicContact CG2-CD2 3.73Å; L349-L352 HydrophobicContact CB-CD1 4.31Å; L349-L352 HydrophobicContact CB-CD2 4.18Å; L349-V360 HydrophobicContact CD1-CG2 3.99Å; L349-F379 HydrophobicContact CD1-CE1 4.1Å; L349-F379 HydrophobicContact CD1-CZ 4.07Å |
| 350 | E | 81 | Confident | 80.4 | Confident | 140 Ų | 140 | 68.4 Ų | 68.4 | 65% | 0.654 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 172.7 | -179.9 | -64.3 | -172.5 | 174.4 | 0 | 0 | 111.8 | R292 T348 L352 | R292-E350 CarbonylContact O-C 3.57Å; T348-E350 HydrophobicContact CG2-CG 4.34Å; E350-L352 PolarHBondContact O-N 2.68Å; E350-L352 VanDerWaalsContact O-N 3.17Å |
| 351 | N | 78.8 | Confident | 81.2 | Confident | 149 Ų | 149 | 65.5 Ų | 65.5 | 80% | 0.797 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 56.1 | 28.1 | 179.3 | -64.8 | -76.7 | 0 | 0 | 0 | 114.3 | R292 | R292-N351 PolarHBondContact O-N 2.99Š|
| 352 | L | 82.6 | Confident | 81.8 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 154.8 | 175.4 | -49.6 | -175.7 | 0 | 0 | 0 | 110.8 | R292 A294 L349 E350 Y358 F379 T381 | R292-L352 WeakPolarHBondContact CA-O 3.47Å; R292-L352 WeakPolarHBondContact CB-O 3.48Å; R292-L352 WeakPolarHBondContact CG-O 3.32Å; R292-L352 PolarHBondContact O-N 3.27Å; A294-L352 HydrophobicContact CB-CD1 4.24Å; L349-L352 HydrophobicContact CB-CD1 4.31Å; L349-L352 HydrophobicContact CB-CD2 4.18Å; E350-L352 PolarHBondContact O-N 2.68Å; E350-L352 VanDerWaalsContact O-N 3.17Å; L352-Y358 WeakPolarHBondContact CA-OH 3.35Å; L352-Y358 HydrophobicContact CB-CE2 3.92Å; L352-Y358 HydrophobicContact CD1-CE2 4.5Å; L352-Y358 HydrophobicContact CD2-CD1 4.17Å; L352-Y358 HydrophobicContact CD2-CE1 3.61Å; L352-Y358 HydrophobicContact CD2-CE2 4.42Å; L352-F379 HydrophobicContact CD1-CE2 3.76Å; L352-F379 HydrophobicContact CD1-CZ 3.68Å; L352-T381 HydrophobicContact CB-CG2 3.8Å; L352-T381 HydrophobicContact CD1-CG2 3.8Å; L352-T381 HydrophobicContact CG-CG2 4.48Å |
| 353 | R | 80.2 | Confident | 82.2 | Confident | 160 Ų | 160 | 62.4 Ų | 62.4 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 136.8 | 173.4 | -67.7 | -179.5 | 177.2 | -173.2 | -1.5 | 109.6 | T356 Y358 T381 | R353-T356 HydrophobicContact CB-CG2 4.27Å; R353-T356 VanDerWaalsContact CB-OG1 3.31Å; R353-T356 WeakPolarHBondContact CB-OG1 3.49Å; R353-T356 WeakPolarHBondContact O-CB 3.37Å; R353-Y358 PolarHBondContact N-OH 2.75Å; R353-T381 WeakPolarHBondContact O-CB 3.41Å; R353-T381 PolarHBondContact O-OG1 2.67Å |
| 354 | P | 82.3 | Confident | 82.5 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.104 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 151.4 | 170 | -25.6 | 35.2 | 0 | 0 | 0 | 113 | A291 R292 T356 L382 N412 | A291-P354 VanDerWaalsContact O-CA 3.25Å; A291-P354 WeakPolarHBondContact O-CA 3.48Å; R292-P354 HydrophobicContact CG-CG 4.15Å; P354-T356 PolarHBondContact O-N 2.84Å; P354-T356 VanDerWaalsContact O-N 3.14Å; P354-T356 PolarHBondContact O-OG1 2.96Å; P354-L382 CarbonylContact C-O 3.52Å; P354-L382 VanDerWaalsContact CA-O 3.24Å; P354-L382 WeakPolarHBondContact CA-O 3.49Å; P354-L382 WeakPolarHBondContact CB-O 3.44Å; P354-N412 HydrophobicContact CB-CB 4.43Å; P354-N412 HydrophobicContact CG-CB 4.43Å |
| 355 | A | 81.4 | Confident | 82.5 | Confident | 50 Ų | 50 | 50 Ų | 50 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.5 | 43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T381 L382 | A355-T381 WeakPolarHBondContact CA-O 3.27Å; A355-T381 PolarHBondContact N-O 2.85Å; A355-T381 PolarHBondContact N-OG1 2.85Å; A355-T381 VanDerWaalsContact N-OG1 3.11Å; A355-L382 PolarHBondContact N-O 2.89Å |
| 356 | T | 81.9 | Confident | 82.3 | Confident | 36 Ų | 36 | 46.5 Ų | 46.5 | 22% | 0.221 | 24% | 0.242 | C | C | . | . | trans | -128.7 | 140.1 | -174 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | I329 R353 P354 Y358 T380 T381 | I329-T356 HydrophobicContact CB-CG2 4.44Å; I329-T356 HydrophobicContact CG2-CG2 4.06Å; R353-T356 HydrophobicContact CB-CG2 4.27Å; R353-T356 VanDerWaalsContact CB-OG1 3.31Å; R353-T356 WeakPolarHBondContact CB-OG1 3.49Å; R353-T356 WeakPolarHBondContact O-CB 3.37Å; P354-T356 PolarHBondContact O-N 2.84Å; P354-T356 VanDerWaalsContact O-N 3.14Å; P354-T356 PolarHBondContact O-OG1 2.96Å; T356-Y358 HydrophobicContact CG2-CD2 4.27Å; T356-Y358 HydrophobicContact CG2-CE2 3.75Å; T356-Y358 WeakPolarHBondContact O-CD2 3.15Å; T356-T380 WeakPolarHBondContact O-CA 3.49Å; T356-T381 PolarHBondContact N-OG1 3.17Å; T356-T381 PolarHBondContact O-N 2.86Å; T356-T381 PolarHBondContact O-OG1 2.83Å | ||
| 357 | D | 85.2 | Confident | 82 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 137.3 | 177.3 | -61.6 | -41.3 | 0 | 0 | 0 | 111.9 | I329 T380 | I329-D357 WeakPolarHBondContact CA-O 3.41Å; D357-T380 WeakPolarHBondContact OD1-CB 3.31Å; D357-T380 WeakPolarHBondContact OD1-CG2 3.23Å; D357-T380 PolarHBondContact OD1-OG1 3.42Å |
| 358 | Y | 84.9 | Confident | 81.5 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 134.5 | -179.4 | -78.2 | -96.3 | 0 | 0 | 0 | 110.6 | F327 I329 L352 R353 T356 S378 F379 T381 | F327-Y358 AromaticContact CD2-CD1 3.73Å; F327-Y358 HydrophobicContact CD2-CD1 3.73Å; F327-Y358 AromaticContact CD2-CE1 3.83Å; F327-Y358 HydrophobicContact CD2-CE1 3.83Å; F327-Y358 HydrophobicContact CE2-CD1 4.25Å; F327-Y358 AromaticContact CE2-CE1 3.87Å; F327-Y358 HydrophobicContact CE2-CE1 3.87Å; F327-Y358 HydrophobicContact CG-CD1 4.43Å; I329-Y358 HydrophobicContact CG2-CD1 3.48Å; I329-Y358 VanDerWaalsContact CG2-CD1 3.48Å; I329-Y358 HydrophobicContact CG2-CD2 4.17Å; I329-Y358 HydrophobicContact CG2-CE1 3.16Å; I329-Y358 HydrophobicContact CG2-CE2 3.91Å; I329-Y358 HydrophobicContact CG2-CG 3.97Å; L352-Y358 WeakPolarHBondContact CA-OH 3.35Å; L352-Y358 HydrophobicContact CB-CE2 3.92Å; L352-Y358 HydrophobicContact CD1-CE2 4.5Å; L352-Y358 HydrophobicContact CD2-CD1 4.17Å; L352-Y358 HydrophobicContact CD2-CE1 3.61Å; L352-Y358 HydrophobicContact CD2-CE2 4.42Å; R353-Y358 PolarHBondContact N-OH 2.75Å; T356-Y358 HydrophobicContact CG2-CD2 4.27Å; T356-Y358 HydrophobicContact CG2-CE2 3.75Å; T356-Y358 WeakPolarHBondContact O-CD2 3.15Å; Y358-S378 CarbonylContact O-C 3.52Å; Y358-S378 VanDerWaalsContact O-CA 3.24Å; Y358-S378 WeakPolarHBondContact O-CA 3.46Å; Y358-F379 VanDerWaalsContact CB-CE1 3.44Å; Y358-F379 HydrophobicContact CD2-CE2 4.38Å; Y358-F379 HydrophobicContact CD2-CZ 4.37Å; Y358-F379 HydrophobicContact CG-CE1 4.34Å; Y358-F379 HydrophobicContact CG-CE2 4.39Å; Y358-F379 AromaticContact CG-CZ 3.95Å; Y358-F379 HydrophobicContact CG-CZ 3.95Å; Y358-F379 PolarHBondContact N-O 3.3Å; Y358-F379 PolarHBondContact O-N 3.16Å; Y358-T381 HydrophobicContact CD2-CG2 4.16Å; Y358-T381 HydrophobicContact CE2-CG2 4.08Å |
| 359 | H | 85.3 | Confident | 80.8 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 18% | 0.181 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.2 | 171.2 | -63.6 | -98.7 | 0 | 0 | 0 | 109.8 | F327 S328 G331 Y336 V377 | F327-H359 CarbonylContact C-O 3.49Å; F327-H359 WeakPolarHBondContact CA-O 3.38Å; F327-H359 WeakPolarHBondContact CB-O 3.21Å; S328-H359 PolarHBondContact N-O 2.96Å; S328-H359 PolarHBondContact O-N 3.13Å; G331-H359 VanDerWaalsContact C-CD2 3.47Å; G331-H359 WeakPolarHBondContact CA-NE2 3.41Å; Y336-H359 HydrophobicContact CE1-CB 4.29Å; H359-V377 CarbonylContact C-O 3.57Å; H359-V377 WeakPolarHBondContact CA-O 3.36Å |
| 360 | V | 86.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144.4 | -179.8 | -161.4 | 0 | 0 | 0 | 0 | 111.2 | V296 V325 A326 F327 L349 S376 V377 F379 | V296-V360 HydrophobicContact CG1-CG1 4.08Å; V296-V360 HydrophobicContact CG2-CG1 4.24Å; V296-V360 HydrophobicContact CG2-CG2 4.33Å; V325-V360 HydrophobicContact CG1-CG1 3.69Å; A326-V360 CarbonylContact O-C 3.46Å; A326-V360 WeakPolarHBondContact O-CA 3.31Å; A326-V360 WeakPolarHBondContact O-CG1 3.48Å; F327-V360 HydrophobicContact CB-CG1 4.37Å; F327-V360 HydrophobicContact CB-CG2 4.02Å; L349-V360 HydrophobicContact CD1-CG2 3.99Å; V360-S376 CarbonylContact O-C 3.58Å; V360-S376 WeakPolarHBondContact O-CA 3.44Å; V360-V377 HydrophobicContact CB-CG1 4.12Å; V360-V377 PolarHBondContact N-O 3.35Å; V360-V377 PolarHBondContact O-N 2.87Å; V360-F379 HydrophobicContact CG2-CD1 4.16Å; V360-F379 HydrophobicContact CG2-CE1 3.64Å |
| 361 | R | 85.5 | Confident | 80.1 | Confident | 79 Ų | 79 | 50.8 Ų | 50.8 | 30% | 0.298 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 164.3 | 173.5 | 68.9 | -174.9 | -169.3 | -176.7 | 3.2 | 110.8 | A326 Y336 | A326-R361 HydrophobicContact CB-CG 4.47Å; A326-R361 PolarHBondContact N-O 3.19Å; A326-R361 PolarHBondContact O-N 2.94Å; Y336-R361 HydrophobicContact CD1-CG 4.07Å; Y336-R361 HydrophobicContact CE1-CB 4.48Å; Y336-R361 HydrophobicContact CE1-CG 3.95Å |
| 362 | V | 85.2 | Confident | 80.1 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.4 | -178.2 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | I281 P284 W298 Y323 E324 V325 S374 | I281-V362 HydrophobicContact CD1-CB 4.21Å; I281-V362 HydrophobicContact CD1-CG1 3.86Å; P284-V362 HydrophobicContact CB-CG2 3.92Å; P284-V362 HydrophobicContact CG-CG2 4.06Å; W298-V362 HydrophobicContact CD2-CB 4.31Å; W298-V362 HydrophobicContact CD2-CG1 3.78Å; W298-V362 HydrophobicContact CD2-CG2 3.87Å; W298-V362 HydrophobicContact CE3-CG1 4.27Å; W298-V362 HydrophobicContact CE3-CG2 3.62Å; W298-V362 HydrophobicContact CG-CB 4.42Å; W298-V362 HydrophobicContact CG-CG1 4.03Å; W298-V362 HydrophobicContact CG-CG2 4.3Å; W298-V362 HydrophobicContact CZ2-CG1 4.14Å; W298-V362 HydrophobicContact CZ3-CG2 4.11Å; Y323-V362 HydrophobicContact CD1-CG1 4.4Å; E324-V362 CarbonylContact O-C 3.49Å; E324-V362 VanDerWaalsContact O-CA 3.25Å; E324-V362 WeakPolarHBondContact O-CA 3.29Å; V325-V362 HydrophobicContact CG1-CG2 4.38Å; V325-V362 HydrophobicContact CG2-CG1 4.44Å; V325-V362 HydrophobicContact CG2-CG2 4.2Å; V362-S374 PolarHBondContact N-OG 2.93Å; V362-S374 VanDerWaalsContact O-CB 3.25Å; V362-S374 WeakPolarHBondContact O-CB 3.45Å; V362-S374 PolarHBondContact O-N 2.81Å; V362-S374 PolarHBondContact O-OG 3.45Å |
| 363 | Q | 83.9 | Confident | 80 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 127.2 | -177.9 | -170.9 | 167.1 | -7.6 | 0 | 0 | 110.5 | Y323 E324 G371 P373 | Y323-Q363 CarbonylContact C-O 3.57Å; Y323-Q363 VanDerWaalsContact CA-O 3.32Å; Y323-Q363 WeakPolarHBondContact CA-O 3.06Å; E324-Q363 PolarHBondContact N-O 2.97Å; E324-Q363 PolarHBondContact O-N 3.2Å; Q363-G371 VanDerWaalsContact CG-O 3.25Å; Q363-G371 WeakPolarHBondContact CG-O 3.33Å; Q363-G371 PolarHBondContact NE2-O 2.98Å; Q363-P373 HydrophobicContact CB-CB 4.06Å; Q363-P373 HydrophobicContact CG-CB 4.13Å |
| 364 | A | 81.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 145.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I281 P301 S322 Y323 G371 | I281-A364 HydrophobicContact CD1-CB 4.25Å; P301-A364 HydrophobicContact CG-CB 4.04Å; S322-A364 CarbonylContact O-C 3.55Å; S322-A364 WeakPolarHBondContact O-CA 3.19Å; Y323-A364 HydrophobicContact CD1-CB 3.93Å; Y323-A364 HydrophobicContact CE1-CB 3.91Å; A364-G371 PolarHBondContact O-N 3.25Å |
| 365 | A | 79.2 | Confident | 79.9 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 144.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S322 L369 L370 | S322-A365 PolarHBondContact N-O 2.6Å; S322-A365 PolarHBondContact O-N 2.68Å; S322-A365 PolarHBondContact OG-O 2.75Å; A365-L369 WeakPolarHBondContact CA-O 3.21Å; A365-L370 HydrophobicContact CB-CD1 3.88Å; A365-L370 HydrophobicContact CB-CG 3.91Å |
| 366 | C | 75.8 | Confident | 80 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 127.8 | 170.2 | 175.9 | 0 | 0 | 0 | 0 | 108.5 | L278 D320 L321 C368 L369 | L278-C366 HydrophobicContact CD1-CB 4.01Å; L278-C366 HydrophobicContact CD2-CB 3.73Å; L278-C366 HydrophobicContact CG-CB 4.49Å; D320-C366 PolarHBondContact O-SG 3.37Å; L321-C366 HydrophobicContact CD2-CB 4.14Å; C366-C368 PolarHBondContact O-N 2.94Å; C366-L369 PolarHBondContact N-O 3.33Å; C366-L369 PolarHBondContact O-N 3.05Å |
| 367 | N | 74.7 | Confident | 80.2 | Confident | 137 Ų | 137 | 43.8 Ų | 43.8 | 73% | 0.733 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | -108.5 | -170.3 | -65.8 | -59.5 | 0 | 0 | 0 | 112.1 | ||
| 368 | C | 68.4 | Low | 80.1 | Confident | 115 Ų | 115 | 43.1 Ų | 43.1 | 78% | 0.777 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 7.2 | 178.8 | 59.6 | 0 | 0 | 0 | 0 | 114 | C366 | C366-C368 PolarHBondContact O-N 2.94Š|
| 369 | L | 70.1 | Confident | 80.1 | Confident | 50 Ų | 50 | 43.4 Ų | 43.4 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 115.1 | -178.4 | -64.6 | 173.4 | 0 | 0 | 0 | 109.6 | L274 L275 L278 A365 C366 | L274-L369 HydrophobicContact CB-CD1 4.48Å; L274-L369 HydrophobicContact CD2-CD1 3.86Å; L275-L369 HydrophobicContact CD2-CB 3.83Å; L275-L369 HydrophobicContact CD2-CD2 3.82Å; L275-L369 HydrophobicContact CD2-CG 4.34Å; L275-L369 HydrophobicContact CG-CB 4.26Å; L275-L369 HydrophobicContact CG-CD2 4.11Å; L278-L369 HydrophobicContact CD1-CB 3.98Å; A365-L369 WeakPolarHBondContact CA-O 3.21Å; C366-L369 PolarHBondContact N-O 3.33Å; C366-L369 PolarHBondContact O-N 3.05Å |
| 370 | L | 76.1 | Confident | 80 | Confident | 78 Ų | 78 | 45 Ų | 45 | 41% | 0.408 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.7 | 169.9 | -87.6 | 71.4 | 0 | 0 | 0 | 109.6 | L275 A365 | L275-L370 VanDerWaalsContact CD2-O 3.29Å; L275-L370 WeakPolarHBondContact CD2-O 3.22Å; A365-L370 HydrophobicContact CB-CD1 3.88Å; A365-L370 HydrophobicContact CB-CG 3.91Å |
| 371 | G | 74.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 176.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q363 A364 | Q363-G371 VanDerWaalsContact CG-O 3.25Å; Q363-G371 WeakPolarHBondContact CG-O 3.33Å; Q363-G371 PolarHBondContact NE2-O 2.98Å; A364-G371 PolarHBondContact O-N 3.25Å |
| 372 | S | 77.8 | Confident | 79.8 | Confident | 65 Ų | 65 | 46.4 Ų | 46.4 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 144.2 | 173 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | S279 | S279-S372 PolarHBondContact OG-N 2.87Å; S279-S372 PolarHBondContact OG-OG 3.2Å |
| 373 | P | 79.8 | Confident | 79.7 | Confident | 54 Ų | 54 | 48.2 Ų | 48.2 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 149 | 175.6 | 28.8 | -34.3 | 0 | 0 | 0 | 112.1 | Q363 | Q363-P373 HydrophobicContact CB-CB 4.06Å; Q363-P373 HydrophobicContact CG-CB 4.13Å |
| 374 | S | 82.5 | Confident | 79.8 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 162.8 | 179.1 | 78.1 | 0 | 0 | 0 | 0 | 113.4 | S282 P284 V362 | S282-S374 WeakPolarHBondContact O-CB 3.29Å; P284-S374 VanDerWaalsContact CD-OG 3.29Å; P284-S374 WeakPolarHBondContact CD-OG 3.45Å; V362-S374 PolarHBondContact N-OG 2.93Å; V362-S374 VanDerWaalsContact O-CB 3.25Å; V362-S374 WeakPolarHBondContact O-CB 3.45Å; V362-S374 PolarHBondContact O-N 2.81Å; V362-S374 PolarHBondContact O-OG 3.45Å |
| 375 | E | 79.4 | Confident | 80 | Confident | 96 Ų | 96 | 52.1 Ų | 52.1 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | trans | -45.9 | 142.5 | 152.7 | -97.4 | -92.1 | 104.8 | 0 | 0 | 111.4 | K283 P284 K332 | K283-E375 HydrophobicContact CB-CB 3.96Å; K283-E375 HydrophobicContact CD-CB 3.81Å; K283-E375 HydrophobicContact CD-CG 4.49Å; K283-E375 HydrophobicContact CG-CB 3.75Å; K283-E375 IonicContact NZ-OE2 2.7Å; K283-E375 PolarHBondContact NZ-OE2 3.08Å; P284-E375 WeakPolarHBondContact CD-O 3.34Å; K332-E375 IonicContact NZ-OE1 2.66Å; K332-E375 PolarHBondContact NZ-OE1 3.3Å | ||
| 376 | S | 81.8 | Confident | 80.5 | Confident | 11 Ų | 11 | 52 Ų | 52 | 8% | 0.077 | 30% | 0.304 | C | S | . | . | trans | -87.4 | 138.8 | 176.8 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | K283 K332 Y336 V360 | K283-S376 WeakPolarHBondContact CE-O 3.32Å; K283-S376 PolarHBondContact NZ-O 2.67Å; K332-S376 VanDerWaalsContact CD-OG 3.31Å; K332-S376 WeakPolarHBondContact CD-OG 3.2Å; K332-S376 VanDerWaalsContact CE-OG 3.29Å; K332-S376 WeakPolarHBondContact CE-OG 3.43Å; K332-S376 VanDerWaalsContact CG-OG 3.31Å; K332-S376 WeakPolarHBondContact CG-OG 3.48Å; Y336-S376 WeakPolarHBondContact OH-CB 3.48Å; V360-S376 CarbonylContact O-C 3.58Å; V360-S376 WeakPolarHBondContact O-CA 3.44Å | ||
| 377 | V | 86.2 | Confident | 81.1 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 160.8 | 165.4 | 67.5 | 0 | 0 | 0 | 0 | 110.2 | P284 V286 H359 V360 | P284-V377 HydrophobicContact CB-CG1 4.42Å; P284-V377 HydrophobicContact CG-CB 4.48Å; P284-V377 HydrophobicContact CG-CG1 3.9Å; P284-V377 WeakPolarHBondContact O-CB 3.43Å; V286-V377 HydrophobicContact CG2-CB 4.4Å; V286-V377 HydrophobicContact CG2-CG1 3.45Å; V286-V377 VanDerWaalsContact CG2-CG1 3.45Å; V286-V377 HydrophobicContact CG2-CG2 4.03Å; H359-V377 CarbonylContact C-O 3.57Å; H359-V377 WeakPolarHBondContact CA-O 3.36Å; V360-V377 HydrophobicContact CB-CG1 4.12Å; V360-V377 PolarHBondContact N-O 3.35Å; V360-V377 PolarHBondContact O-N 2.87Å |
| 378 | S | 84.6 | Confident | 81.7 | Confident | 79 Ų | 79 | 51.6 Ų | 51.6 | 55% | 0.552 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143.4 | -179.1 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | Y358 | Y358-S378 CarbonylContact O-C 3.52Å; Y358-S378 VanDerWaalsContact O-CA 3.24Å; Y358-S378 WeakPolarHBondContact O-CA 3.46Å |
| 379 | F | 84.1 | Confident | 82.8 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 164.8 | 178.9 | 74.4 | -86.4 | 0 | 0 | 0 | 112 | V286 I289 A294 L349 L352 Y358 V360 T381 | V286-F379 HydrophobicContact CB-CD1 4.43Å; V286-F379 HydrophobicContact CG1-CB 4.2Å; V286-F379 HydrophobicContact CG1-CD1 3.81Å; V286-F379 HydrophobicContact CG1-CD2 4.47Å; V286-F379 HydrophobicContact CG1-CE1 4.25Å; V286-F379 HydrophobicContact CG1-CG 3.91Å; V286-F379 HydrophobicContact CG2-CD1 4.04Å; I289-F379 HydrophobicContact CD1-CB 3.77Å; I289-F379 HydrophobicContact CD1-CD2 4.21Å; I289-F379 HydrophobicContact CD1-CG 4.33Å; I289-F379 HydrophobicContact CG1-CB 4.37Å; I289-F379 HydrophobicContact CG1-CD2 3.95Å; I289-F379 HydrophobicContact CG1-CG 4.41Å; I289-F379 HydrophobicContact CG2-CD2 3.77Å; I289-F379 HydrophobicContact CG2-CE2 4.22Å; A294-F379 HydrophobicContact CB-CD2 4.07Å; A294-F379 HydrophobicContact CB-CE1 4.29Å; A294-F379 HydrophobicContact CB-CE2 3.4Å; A294-F379 VanDerWaalsContact CB-CE2 3.4Å; A294-F379 HydrophobicContact CB-CZ 3.53Å; L349-F379 HydrophobicContact CD1-CE1 4.1Å; L349-F379 HydrophobicContact CD1-CZ 4.07Å; L352-F379 HydrophobicContact CD1-CE2 3.76Å; L352-F379 HydrophobicContact CD1-CZ 3.68Å; Y358-F379 VanDerWaalsContact CB-CE1 3.44Å; Y358-F379 HydrophobicContact CD2-CE2 4.38Å; Y358-F379 HydrophobicContact CD2-CZ 4.37Å; Y358-F379 HydrophobicContact CG-CE1 4.34Å; Y358-F379 HydrophobicContact CG-CE2 4.39Å; Y358-F379 AromaticContact CG-CZ 3.95Å; Y358-F379 HydrophobicContact CG-CZ 3.95Å; Y358-F379 PolarHBondContact N-O 3.3Å; Y358-F379 PolarHBondContact O-N 3.16Å; V360-F379 HydrophobicContact CG2-CD1 4.16Å; V360-F379 HydrophobicContact CG2-CE1 3.64Å; F379-T381 HydrophobicContact CE2-CG2 4.11Å |
| 380 | T | 84 | Confident | 83.7 | Confident | 73 Ų | 73 | 46.6 Ų | 46.6 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.7 | -178.8 | -46.6 | 0 | 0 | 0 | 0 | 110.3 | I289 T356 D357 | I289-T380 VanDerWaalsContact CG2-O 3.27Å; I289-T380 WeakPolarHBondContact CG2-O 3.32Å; T356-T380 WeakPolarHBondContact O-CA 3.49Å; D357-T380 WeakPolarHBondContact OD1-CB 3.31Å; D357-T380 WeakPolarHBondContact OD1-CG2 3.23Å; D357-T380 PolarHBondContact OD1-OG1 3.42Å |
| 381 | T | 83.8 | Confident | 84.3 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 157.8 | 177.7 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | Q290 L352 R353 A355 T356 Y358 F379 | Q290-T381 WeakPolarHBondContact O-CB 3.25Å; L352-T381 HydrophobicContact CB-CG2 3.8Å; L352-T381 HydrophobicContact CD1-CG2 3.8Å; L352-T381 HydrophobicContact CG-CG2 4.48Å; R353-T381 WeakPolarHBondContact O-CB 3.41Å; R353-T381 PolarHBondContact O-OG1 2.67Å; A355-T381 WeakPolarHBondContact CA-O 3.27Å; A355-T381 PolarHBondContact N-O 2.85Å; A355-T381 PolarHBondContact N-OG1 2.85Å; A355-T381 VanDerWaalsContact N-OG1 3.11Å; T356-T381 PolarHBondContact N-OG1 3.17Å; T356-T381 PolarHBondContact O-N 2.86Å; T356-T381 PolarHBondContact O-OG1 2.83Å; Y358-T381 HydrophobicContact CD2-CG2 4.16Å; Y358-T381 HydrophobicContact CE2-CG2 4.08Å; F379-T381 HydrophobicContact CE2-CG2 4.11Å |
| 382 | L | 82.8 | Confident | 85.1 | Confident | 103 Ų | 103 | 44.6 Ų | 44.6 | 54% | 0.539 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 166.6 | 176.7 | -54.5 | 179.7 | 0 | 0 | 0 | 112.4 | Q290 A291 P354 A355 | Q290-L382 PolarHBondContact O-N 3.07Å; A291-L382 WeakPolarHBondContact CA-O 3.37Å; A291-L382 HydrophobicContact CB-CB 4.15Å; A291-L382 WeakPolarHBondContact CB-O 3.35Å; P354-L382 CarbonylContact C-O 3.52Å; P354-L382 VanDerWaalsContact CA-O 3.24Å; P354-L382 WeakPolarHBondContact CA-O 3.49Å; P354-L382 WeakPolarHBondContact CB-O 3.44Å; A355-L382 PolarHBondContact N-O 2.89Å |
| 383 | S | 84.1 | Confident | 85.6 | Confident | 39 Ų | 39 | 49 Ų | 49 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -90.7 | 163.8 | 174 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | N412 | S383-N412 WeakPolarHBondContact CA-O 3.15Å; S383-N412 VanDerWaalsContact CB-O 3.29Å; S383-N412 WeakPolarHBondContact CB-O 3.31Å |
| 384 | C | 84.8 | Confident | 85.9 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | trans | -142.5 | -171.8 | 178.7 | 73.2 | 0 | 0 | 0 | 0 | 113.7 | A291 N412 N462 M464 | A291-C384 HydrophobicContact CB-CB 4.3Å; C384-N412 PolarHBondContact N-O 3.35Å; C384-N412 VanDerWaalsContact N-O 3.15Å; C384-N412 VanDerWaalsContact SG-CB 3.54Å; C384-N462 PolarHBondContact O-ND2 3.41Å; C384-M464 VanDerWaalsContact C-CB 3.49Å; C384-M464 WeakPolarHBondContact O-CG 3.48Å | ||
| 385 | E | 85.8 | Confident | 85.9 | Confident | 93 Ų | 93 | 53.4 Ų | 53.4 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 159.1 | 176 | -60 | -171.6 | 120.7 | 0 | 0 | 112.2 | N412 M464 G465 V466 | E385-N412 WeakPolarHBondContact O-CB 3.15Å; E385-N412 PolarHBondContact O-ND2 2.96Å; E385-M464 HydrophobicContact CG-CB 4.27Å; E385-G465 WeakPolarHBondContact OE1-CA 3.15Å; E385-V466 PolarHBondContact OE1-N 2.66Å |
| 386 | P | 89.4 | Confident | 85.7 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 156.5 | 179.4 | -10.1 | 27.2 | 0 | 0 | 0 | 112.1 | C410 I416 A460 N462 S467 | P386-C410 WeakPolarHBondContact CA-O 3.27Å; P386-C410 WeakPolarHBondContact CB-O 3.4Å; P386-I416 HydrophobicContact CB-CD1 4.12Å; P386-I416 HydrophobicContact CB-CG1 3.99Å; P386-I416 HydrophobicContact CG-CG1 4Å; P386-A460 HydrophobicContact CB-CB 4.29Å; P386-A460 HydrophobicContact CG-CB 4.48Å; P386-N462 HydrophobicContact CG-CB 3.88Å; P386-S467 WeakPolarHBondContact O-CB 3.14Å |
| 387 | D | 88.1 | Confident | 85.5 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 33% | 0.326 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 154.8 | 170.6 | -67.6 | -10.4 | 0 | 0 | 0 | 111.1 | P409 C410 N412 | D387-P409 HydrophobicContact CB-CB 4.22Å; D387-P409 WeakPolarHBondContact O-CB 3.41Å; D387-P409 WeakPolarHBondContact O-CG 3.43Å; D387-C410 HydrophobicContact CB-CB 4.45Å; D387-C410 PolarHBondContact N-O 2.73Å; D387-C410 VanDerWaalsContact N-O 3.09Å; D387-C410 WeakPolarHBondContact OD2-CB 3.13Å; D387-N412 PolarHBondContact OD1-ND2 3.06Å |
| 388 | P | 88.3 | Confident | 85.2 | Confident | 67 Ų | 67 | 54 Ų | 54 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 134.8 | 176.7 | -24.1 | 35.5 | 0 | 0 | 0 | 112.5 | E468 | P388-E468 HydrophobicContact CB-CB 4.42Å; P388-E468 HydrophobicContact CG-CB 3.96Å |
| 389 | P | 91.4 | Very high | 84.6 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.032 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 153.3 | -178 | 33.1 | -36.8 | 0 | 0 | 0 | 112.6 | P409 L458 S467 S470 | P389-P409 HydrophobicContact CB-CG 4.05Å; P389-L458 HydrophobicContact CB-CD2 3.92Å; P389-L458 HydrophobicContact CB-CG 4.35Å; P389-L458 HydrophobicContact CG-CB 4.22Å; P389-L458 HydrophobicContact CG-CD2 3.99Å; P389-L458 HydrophobicContact CG-CG 3.87Å; P389-L458 WeakPolarHBondContact CG-O 3.3Å; P389-S467 WeakPolarHBondContact CD-OG 3.43Å; P389-S470 WeakPolarHBondContact O-CB 3.23Å |
| 390 | S | 88.9 | Confident | 84.5 | Confident | 56 Ų | 56 | 57.7 Ų | 57.7 | 39% | 0.392 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 144.1 | 171.3 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 391 | P | 87.9 | Confident | 84.5 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 143.6 | 178.7 | -28.6 | 35.1 | 0 | 0 | 0 | 114.6 | E471 V473 | P391-E471 HydrophobicContact CG-CB 3.82Å; P391-V473 HydrophobicContact CB-CB 4.37Å; P391-V473 HydrophobicContact CB-CG1 4.41Å |
| 392 | P | 90.5 | Very high | 84.6 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 138.6 | -175.8 | 29.2 | -35 | 0 | 0 | 0 | 112.2 | L404 W406 L421 F456 L458 V473 | P392-L404 HydrophobicContact CB-CB 4.37Å; P392-W406 HydrophobicContact CB-CE3 3.99Å; P392-L421 HydrophobicContact CB-CD1 4.22Å; P392-L421 HydrophobicContact CG-CD1 3.86Å; P392-F456 HydrophobicContact CG-CB 4.15Å; P392-L458 HydrophobicContact CG-CB 4.49Å; P392-V473 HydrophobicContact CG-CG1 3.81Å; P392-V473 WeakPolarHBondContact O-CG1 3.34Å |
| 393 | K | 88.4 | Confident | 85 | Confident | 157 Ų | 157 | 50.8 Ų | 50.8 | 68% | 0.683 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 139.8 | -176.5 | -57.6 | -165.1 | 177.8 | -162.1 | 0 | 111.9 | A395 L404 A405 | K393-A395 PolarHBondContact O-N 3.29Å; K393-L404 CarbonylContact O-C 3.57Å; K393-L404 WeakPolarHBondContact O-CA 3.2Å; K393-A405 PolarHBondContact N-O 3.1Å; K393-A405 PolarHBondContact O-N 3.39Å |
| 394 | K | 86.9 | Confident | 85.4 | Confident | 92 Ų | 92 | 48.9 Ų | 48.9 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 115.2 | 172.5 | -175.8 | 174.5 | 176.2 | 177.4 | 0 | 110 | L402 L404 L475 F476 | K394-L402 HydrophobicContact CD-CD2 3.95Å; K394-L402 HydrophobicContact CG-CD2 4.39Å; K394-L404 HydrophobicContact CB-CD2 4.48Å; K394-L475 HydrophobicContact CB-CD1 4.11Å; K394-L475 HydrophobicContact CB-CD2 3.93Å; K394-L475 HydrophobicContact CD-CD2 4.46Å; K394-F476 PolarHBondContact NZ-O 2.68Å |
| 395 | A | 83.1 | Confident | 85.7 | Confident | 67 Ų | 67 | 48.9 Ų | 48.9 | 55% | 0.554 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -36 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K393 V403 A405 | K393-A395 PolarHBondContact O-N 3.29Å; A395-V403 HydrophobicContact CB-CB 4.48Å; A395-V403 HydrophobicContact CB-CG1 4.21Å; A395-V403 PolarHBondContact N-O 3.17Å; A395-A405 HydrophobicContact CB-CB 4.39Å |
| 396 | S | 75.6 | Confident | 86.1 | Confident | 57 Ų | 57 | 45.4 Ų | 45.4 | 40% | 0.399 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 173.8 | 171 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | V403 | S396-V403 PolarHBondContact O-N 2.93Å; S396-V403 WeakPolarHBondContact OG-CB 3.39Å; S396-V403 VanDerWaalsContact OG-CG2 3.29Å; S396-V403 WeakPolarHBondContact OG-CG2 3.43Å |
| 397 | G | 77.6 | Confident | 86 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 27% | 0.268 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 167.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T401 | G397-T401 CarbonylContact C-O 3.49Å; G397-T401 VanDerWaalsContact CA-O 3.25Å; G397-T401 WeakPolarHBondContact CA-O 3.36Å |
| 398 | T | 78.4 | Confident | 86 | Confident | 64 Ų | 64 | 52.1 Ų | 52.1 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | -179.9 | 170.3 | 67 | 0 | 0 | 0 | 0 | 108.7 | N400 T401 S478 | T398-N400 PolarHBondContact O-N 3.16Å; T398-N400 VanDerWaalsContact O-N 3.08Å; T398-N400 PolarHBondContact OG1-N 3.1Å; T398-T401 PolarHBondContact N-O 3.3Å; T398-T401 PolarHBondContact O-N 2.84Å; T398-T401 PolarHBondContact OG1-N 2.57Å; T398-T401 PolarHBondContact OG1-OG1 3.05Å; T398-S478 PolarHBondContact O-N 3.29Å |
| 399 | K | 73.4 | Confident | 86 | Confident | 108 Ų | 108 | 50 Ų | 50 | 47% | 0.47 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.6 | 172.8 | 56.8 | 163.3 | -176.7 | -177.4 | 0 | 115.1 | T449 P450 | K399-T449 CarbonylContact O-C 3.53Å; K399-P450 HydrophobicContact CB-CB 4.16Å; K399-P450 HydrophobicContact CB-CG 4.21Å; K399-P450 WeakPolarHBondContact O-CA 3.37Å |
| 400 | N | 80 | Confident | 85.7 | Confident | 64 Ų | 64 | 53.5 Ų | 53.5 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | 7.2 | -179.6 | -64.7 | 94.7 | 0 | 0 | 0 | 114.6 | T398 K447 L448 | T398-N400 PolarHBondContact O-N 3.16Å; T398-N400 VanDerWaalsContact O-N 3.08Å; T398-N400 PolarHBondContact OG1-N 3.1Å; N400-K447 PolarHBondContact O-N 3.12Å; N400-L448 VanDerWaalsContact CA-O 3.31Å; N400-L448 WeakPolarHBondContact CA-O 3.43Å; N400-L448 WeakPolarHBondContact CB-O 3.26Å; N400-L448 PolarHBondContact ND2-O 3.07Å; N400-L448 PolarHBondContact O-N 2.91Å; N400-L448 VanDerWaalsContact O-N 3.13Å |
| 401 | T | 84.4 | Confident | 85.5 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 150.5 | -179 | 73.3 | 0 | 0 | 0 | 0 | 112.8 | G397 T398 R444 V445 T446 | G397-T401 CarbonylContact C-O 3.49Å; G397-T401 VanDerWaalsContact CA-O 3.25Å; G397-T401 WeakPolarHBondContact CA-O 3.36Å; T398-T401 PolarHBondContact N-O 3.3Å; T398-T401 PolarHBondContact O-N 2.84Å; T398-T401 PolarHBondContact OG1-N 2.57Å; T398-T401 PolarHBondContact OG1-OG1 3.05Å; T401-R444 PolarHBondContact OG1-NH1 2.84Å; T401-V445 VanDerWaalsContact CA-O 3.26Å; T401-V445 WeakPolarHBondContact CA-O 3.4Å; T401-V445 WeakPolarHBondContact CB-O 3.34Å; T401-T446 HydrophobicContact CG2-CG2 3.93Å |
| 402 | L | 87.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.7 | 170.2 | -72.6 | 175.2 | 0 | 0 | 0 | 109.5 | K394 L404 R444 V445 L448 F456 L475 T477 | K394-L402 HydrophobicContact CD-CD2 3.95Å; K394-L402 HydrophobicContact CG-CD2 4.39Å; L402-L404 HydrophobicContact CB-CD2 4.34Å; L402-R444 CarbonylContact O-C 3.54Å; L402-R444 WeakPolarHBondContact O-CA 3.47Å; L402-V445 PolarHBondContact N-O 2.65Å; L402-V445 PolarHBondContact O-N 3.16Å; L402-L448 HydrophobicContact CB-CD1 3.87Å; L402-L448 HydrophobicContact CD1-CD1 3.75Å; L402-L448 HydrophobicContact CG-CD1 3.58Å; L402-F456 HydrophobicContact CD1-CE2 3.98Å; L402-F456 HydrophobicContact CD1-CZ 4.12Å; L402-L475 HydrophobicContact CD1-CB 4.05Å; L402-T477 HydrophobicContact CG-CG2 4.29Å |
| 403 | V | 90.8 | Very high | 84.6 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 9% | 0.085 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.5 | 171.7 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | A395 S396 Y443 R444 | A395-V403 HydrophobicContact CB-CB 4.48Å; A395-V403 HydrophobicContact CB-CG1 4.21Å; A395-V403 PolarHBondContact N-O 3.17Å; S396-V403 PolarHBondContact O-N 2.93Å; S396-V403 WeakPolarHBondContact OG-CB 3.39Å; S396-V403 VanDerWaalsContact OG-CG2 3.29Å; S396-V403 WeakPolarHBondContact OG-CG2 3.43Å; V403-Y443 WeakPolarHBondContact CA-O 3.45Å; V403-R444 HydrophobicContact CG2-CB 4.19Å; V403-R444 HydrophobicContact CG2-CG 4.01Å |
| 404 | L | 92.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 141.3 | -175.9 | -53.9 | -175.1 | 0 | 0 | 0 | 109.7 | P392 K393 K394 L402 W406 L421 Q442 Y443 V445 F456 L475 | P392-L404 HydrophobicContact CB-CB 4.37Å; K393-L404 CarbonylContact O-C 3.57Å; K393-L404 WeakPolarHBondContact O-CA 3.2Å; K394-L404 HydrophobicContact CB-CD2 4.48Å; L402-L404 HydrophobicContact CB-CD2 4.34Å; L404-W406 HydrophobicContact CB-CZ3 4.3Å; L404-L421 HydrophobicContact CD1-CD2 4.1Å; L404-Q442 CarbonylContact O-C 3.41Å; L404-Q442 WeakPolarHBondContact O-CA 3.33Å; L404-Q442 WeakPolarHBondContact O-CB 3.47Å; L404-Y443 PolarHBondContact N-O 2.92Å; L404-Y443 PolarHBondContact O-N 3.11Å; L404-V445 HydrophobicContact CD1-CG2 4.09Å; L404-V445 HydrophobicContact CG-CG2 4.46Å; L404-F456 HydrophobicContact CD1-CB 4.37Å; L404-F456 HydrophobicContact CD1-CD1 3.58Å; L404-F456 HydrophobicContact CD1-CD2 4Å; L404-F456 HydrophobicContact CD1-CE1 3.78Å; L404-F456 HydrophobicContact CD1-CE2 4.16Å; L404-F456 HydrophobicContact CD1-CG 3.7Å; L404-F456 HydrophobicContact CD1-CZ 4.06Å; L404-L475 HydrophobicContact CD2-CD1 3.29Å |
| 405 | A | 91.5 | Very high | 84.4 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 149.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K393 A395 K441 Q442 | K393-A405 PolarHBondContact N-O 3.1Å; K393-A405 PolarHBondContact O-N 3.39Å; A395-A405 HydrophobicContact CB-CB 4.39Å; A405-K441 WeakPolarHBondContact CA-O 3.32Å; A405-Q442 HydrophobicContact CB-CB 3.96Å |
| 406 | W | 93.2 | Very high | 84.6 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | trans | -145.3 | 169.1 | -171.9 | 51.6 | 91.1 | 0 | 0 | 0 | 113.2 | P392 L404 Y419 L421 Y436 Q440 K441 L458 | P392-W406 HydrophobicContact CB-CE3 3.99Å; L404-W406 HydrophobicContact CB-CZ3 4.3Å; W406-Y419 AromaticContact CD1-CD1 3.7Å; W406-Y419 AromaticContact CD1-CE1 3.88Å; W406-Y419 HydrophobicContact CZ2-CG 4.43Å; W406-Y419 AromaticContact NE1-CD1 3.32Å; W406-Y419 VanDerWaalsContact NE1-CD1 3.32Å; W406-Y419 AromaticContact NE1-CD2 3.58Å; W406-Y419 AromaticContact NE1-CE1 3.83Å; W406-Y419 AromaticContact NE1-CG 3.19Å; W406-L421 HydrophobicContact CH2-CD2 4.43Å; W406-L421 HydrophobicContact CZ3-CD1 4.36Å; W406-L421 HydrophobicContact CZ3-CD2 4.26Å; W406-Y436 AromaticContact CH2-CD1 3.91Å; W406-Y436 HydrophobicContact CH2-CD1 3.91Å; W406-Y436 HydrophobicContact CH2-CE1 4.31Å; W406-Y436 AromaticContact CZ2-CD1 3.94Å; W406-Y436 HydrophobicContact CZ2-CD1 3.94Å; W406-Y436 HydrophobicContact CZ2-CE1 4.01Å; W406-Q440 VanDerWaalsContact CZ2-O 3.22Å; W406-Q440 WeakPolarHBondContact CZ2-O 3.47Å; W406-K441 PolarHBondContact N-O 3.35Å; W406-L458 HydrophobicContact CB-CD2 3.47Å; W406-L458 VanDerWaalsContact CB-CD2 3.47Å; W406-L458 HydrophobicContact CD2-CD1 3.92Å; W406-L458 HydrophobicContact CD2-CD2 3.79Å; W406-L458 HydrophobicContact CE3-CD1 4.29Å; W406-L458 HydrophobicContact CE3-CD2 4.44Å; W406-L458 HydrophobicContact CG-CD1 4.32Å; W406-L458 HydrophobicContact CG-CD2 3.35Å; W406-L458 HydrophobicContact CG-CG 4.48Å; W406-L458 HydrophobicContact CH2-CD1 4.4Å; W406-L458 HydrophobicContact CZ2-CD1 4.04Å | ||
| 407 | K | 88.6 | Confident | 85.3 | Confident | 163 Ų | 163 | 53.1 Ų | 53.1 | 71% | 0.709 | 30% | 0.295 | S | S | * | . | trans | -98.3 | 161.5 | 173.3 | -69.6 | -173.3 | 176.4 | -175.2 | 0 | 110.6 | ||||
| 408 | A | 87.7 | Confident | 85.9 | Confident | 45 Ų | 45 | 53.4 Ų | 53.4 | 37% | 0.372 | 29% | 0.291 | S | S | . | . | trans | -81.2 | 134 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y419 | A408-Y419 WeakPolarHBondContact CA-OH 3.31Å; A408-Y419 WeakPolarHBondContact CB-OH 3.18Å | ||
| 409 | P | 88.8 | Confident | 86.7 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 16% | 0.156 | 27% | 0.274 | C | S | . | . | trans | -74.6 | 179.4 | 165.4 | 31.3 | -32.3 | 0 | 0 | 0 | 111.3 | D387 P389 I416 A460 | D387-P409 HydrophobicContact CB-CB 4.22Å; D387-P409 WeakPolarHBondContact O-CB 3.41Å; D387-P409 WeakPolarHBondContact O-CG 3.43Å; P389-P409 HydrophobicContact CB-CG 4.05Å; P409-I416 HydrophobicContact CG-CD1 3.73Å; P409-I416 WeakPolarHBondContact O-CD1 3.21Å; P409-A460 HydrophobicContact CG-CB 3.67Å | ||
| 410 | C | 83.9 | Confident | 87.7 | Confident | 78 Ų | 78 | 46.5 Ų | 46.5 | 53% | 0.527 | 26% | 0.256 | S | S | . | . | trans | -67.6 | 143.2 | 171.3 | -70.6 | 0 | 0 | 0 | 0 | 111 | P386 D387 | P386-C410 WeakPolarHBondContact CA-O 3.27Å; P386-C410 WeakPolarHBondContact CB-O 3.4Å; D387-C410 HydrophobicContact CB-CB 4.45Å; D387-C410 PolarHBondContact N-O 2.73Å; D387-C410 VanDerWaalsContact N-O 3.09Å; D387-C410 WeakPolarHBondContact OD2-CB 3.13Å | ||
| 411 | D | 85.1 | Confident | 88.3 | Confident | 64 Ų | 64 | 43.5 Ų | 43.5 | 34% | 0.342 | 24% | 0.239 | S | C | . | . | trans | -100.3 | -1.9 | -171.2 | 74.9 | -13.7 | 0 | 0 | 0 | 113.9 | G413 S414 I416 N462 | D411-G413 PolarHBondContact O-N 2.94Å; D411-S414 WeakPolarHBondContact CB-O 3.34Å; D411-S414 CarbonylContact O-C 3.6Å; D411-S414 PolarHBondContact O-N 2.87Å; D411-I416 HydrophobicContact CB-CD1 4.16Å; D411-I416 HydrophobicContact CB-CG1 3.9Å; D411-N462 PolarHBondContact O-ND2 2.96Å | ||
| 412 | N | 84.1 | Confident | 88.7 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 38.4 | 173.4 | -64.7 | -28.3 | 0 | 0 | 0 | 114.5 | P354 S383 C384 E385 D387 | P354-N412 HydrophobicContact CB-CB 4.43Å; P354-N412 HydrophobicContact CG-CB 4.43Å; S383-N412 WeakPolarHBondContact CA-O 3.15Å; S383-N412 VanDerWaalsContact CB-O 3.29Å; S383-N412 WeakPolarHBondContact CB-O 3.31Å; C384-N412 PolarHBondContact N-O 3.35Å; C384-N412 VanDerWaalsContact N-O 3.15Å; C384-N412 VanDerWaalsContact SG-CB 3.54Å; E385-N412 WeakPolarHBondContact O-CB 3.15Å; E385-N412 PolarHBondContact O-ND2 2.96Å; D387-N412 PolarHBondContact OD1-ND2 3.06Å |
| 413 | G | 76.3 | Confident | 89 | Confident | 47 Ų | 47 | 46 Ų | 46 | 49% | 0.485 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 1.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | D411 | D411-G413 PolarHBondContact O-N 2.94Š|
| 414 | S | 84.6 | Confident | 88.9 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -136.6 | 117.1 | 176 | 178.2 | 0 | 0 | 0 | 0 | 111 | D411 I416 N462 D463 | D411-S414 WeakPolarHBondContact CB-O 3.34Å; D411-S414 CarbonylContact O-C 3.6Å; D411-S414 PolarHBondContact O-N 2.87Å; S414-I416 PolarHBondContact O-N 2.77Å; S414-N462 WeakPolarHBondContact CB-ND2 3.42Å; S414-N462 WeakPolarHBondContact O-CB 3.17Å; S414-N462 PolarHBondContact O-ND2 2.99Å; S414-D463 PolarHBondContact OG-N 3.09Å |
| 415 | K | 85.6 | Confident | 88.4 | Confident | 164 Ų | 164 | 50.5 Ų | 50.5 | 71% | 0.713 | 27% | 0.268 | S | S | * | . | trans | -59.5 | 129.2 | -167.6 | -67.1 | 179.6 | -178.7 | 175.1 | 0 | 112.6 | K417 N462 | K415-K417 PolarHBondContact O-N 2.77Å; K415-N462 WeakPolarHBondContact O-CB 3.41Å | ||
| 416 | I | 88.1 | Confident | 87.4 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.185 | 26% | 0.264 | C | S | . | . | trans | -60.9 | 121.4 | 173.9 | -60.9 | 166 | 0 | 0 | 0 | 109.8 | P386 P409 D411 S414 Y419 A460 K461 | P386-I416 HydrophobicContact CB-CD1 4.12Å; P386-I416 HydrophobicContact CB-CG1 3.99Å; P386-I416 HydrophobicContact CG-CG1 4Å; P409-I416 HydrophobicContact CG-CD1 3.73Å; P409-I416 WeakPolarHBondContact O-CD1 3.21Å; D411-I416 HydrophobicContact CB-CD1 4.16Å; D411-I416 HydrophobicContact CB-CG1 3.9Å; S414-I416 PolarHBondContact O-N 2.77Å; I416-Y419 HydrophobicContact CG2-CE1 4.31Å; I416-Y419 HydrophobicContact CG2-CE2 4.36Å; I416-A460 HydrophobicContact CD1-CB 4.39Å; I416-A460 HydrophobicContact CG2-CB 4.18Å; I416-K461 CarbonylContact C-O 3.59Å; I416-K461 WeakPolarHBondContact CA-O 3.47Å | ||
| 417 | K | 89.6 | Confident | 86.3 | Confident | 108 Ų | 108 | 56 Ų | 56 | 47% | 0.47 | 29% | 0.291 | S | S | . | . | trans | -97.1 | -36.3 | 179.7 | -70 | -174.1 | 177.1 | 172.5 | 0 | 113.2 | K415 P439 K461 D463 | K415-K417 PolarHBondContact O-N 2.77Å; K417-P439 WeakPolarHBondContact O-CB 3.34Å; K417-K461 PolarHBondContact N-O 3.09Å; K417-D463 WeakPolarHBondContact CD-OD1 3.33Å; K417-D463 VanDerWaalsContact CE-OD1 3.23Å; K417-D463 WeakPolarHBondContact CE-OD1 3.37Å; K417-D463 WeakPolarHBondContact CE-OD2 3.36Å; K417-D463 IonicContact NZ-OD1 2.63Å; K417-D463 PolarHBondContact NZ-OD1 3.21Å; K417-D463 IonicContact NZ-OD2 2.66Å; K417-D463 PolarHBondContact NZ-OD2 2.64Å | ||
| 418 | N | 91.4 | Very high | 85.2 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 17% | 0.171 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 156.7 | -176.3 | -63.5 | -75.9 | 0 | 0 | 0 | 112.2 | Y437 G438 K461 | N418-Y437 HydrophobicContact CB-CE1 4.08Å; N418-Y437 HydrophobicContact CB-CE2 4.24Å; N418-Y437 PolarHBondContact ND2-OH 2.79Å; N418-G438 CarbonylContact C-O 3.56Å; N418-G438 WeakPolarHBondContact CA-O 3.35Å; N418-G438 VanDerWaalsContact OD1-CA 3.25Å; N418-G438 WeakPolarHBondContact OD1-CA 3.47Å; N418-K461 PolarHBondContact N-O 2.94Å; N418-K461 PolarHBondContact O-N 2.81Å |
| 419 | Y | 94.3 | Very high | 84.1 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 150.1 | 165.4 | -59.1 | -89 | 0 | 0 | 0 | 109.5 | W406 A408 I416 Y437 G438 Q440 K441 A459 A460 | W406-Y419 AromaticContact CD1-CD1 3.7Å; W406-Y419 AromaticContact CD1-CE1 3.88Å; W406-Y419 HydrophobicContact CZ2-CG 4.43Å; W406-Y419 AromaticContact NE1-CD1 3.32Å; W406-Y419 VanDerWaalsContact NE1-CD1 3.32Å; W406-Y419 AromaticContact NE1-CD2 3.58Å; W406-Y419 AromaticContact NE1-CE1 3.83Å; W406-Y419 AromaticContact NE1-CG 3.19Å; A408-Y419 WeakPolarHBondContact CA-OH 3.31Å; A408-Y419 WeakPolarHBondContact CB-OH 3.18Å; I416-Y419 HydrophobicContact CG2-CE1 4.31Å; I416-Y419 HydrophobicContact CG2-CE2 4.36Å; Y419-Y437 WeakPolarHBondContact O-CA 3.49Å; Y419-G438 PolarHBondContact N-O 3.35Å; Y419-G438 PolarHBondContact O-N 2.94Å; Y419-G438 VanDerWaalsContact O-N 3.08Å; Y419-Q440 WeakPolarHBondContact CD2-O 3.24Å; Y419-K441 HydrophobicContact CE2-CG 4.14Å; Y419-A459 CarbonylContact C-O 3.58Å; Y419-A459 VanDerWaalsContact CA-O 3.31Å; Y419-A459 WeakPolarHBondContact CA-O 3.33Å; Y419-A460 HydrophobicContact CD1-CB 4.18Å; Y419-A460 HydrophobicContact CE1-CB 4.22Å |
| 420 | I | 93.9 | Very high | 83.2 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 9% | 0.092 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 109.1 | 178.9 | -48.4 | -174 | 0 | 0 | 0 | 107.6 | Q422 Q434 Y436 Y437 L458 A459 V466 F469 | I420-Q422 HydrophobicContact CG2-CG 4.49Å; I420-Q434 HydrophobicContact CG2-CG 4.01Å; I420-Y436 WeakPolarHBondContact CA-O 3.37Å; I420-Y437 HydrophobicContact CD1-CD2 4.26Å; I420-Y437 HydrophobicContact CD1-CE2 4.21Å; I420-Y437 HydrophobicContact CG1-CD2 3.89Å; I420-Y437 HydrophobicContact CG1-CE2 4.15Å; I420-L458 CarbonylContact O-C 3.52Å; I420-L458 WeakPolarHBondContact O-CA 3.29Å; I420-A459 HydrophobicContact CB-CB 4.38Å; I420-A459 PolarHBondContact N-O 2.8Å; I420-A459 PolarHBondContact O-N 2.84Å; I420-V466 HydrophobicContact CD1-CG1 3.92Å; I420-F469 HydrophobicContact CG2-CE1 4.42Å; I420-F469 HydrophobicContact CG2-CZ 4.49Å |
| 421 | L | 93.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 131.4 | 174.3 | -172.9 | 73.7 | 0 | 0 | 0 | 109.1 | P392 L404 W406 C435 Y436 Y443 L458 | P392-L421 HydrophobicContact CB-CD1 4.22Å; P392-L421 HydrophobicContact CG-CD1 3.86Å; L404-L421 HydrophobicContact CD1-CD2 4.1Å; W406-L421 HydrophobicContact CH2-CD2 4.43Å; W406-L421 HydrophobicContact CZ3-CD1 4.36Å; W406-L421 HydrophobicContact CZ3-CD2 4.26Å; L421-C435 VanDerWaalsContact CD2-SG 3.6Å; L421-C435 PolarHBondContact O-N 3.12Å; L421-Y436 PolarHBondContact N-O 2.83Å; L421-Y436 PolarHBondContact O-N 3.11Å; L421-Y443 HydrophobicContact CD2-CD1 4.08Å; L421-L458 HydrophobicContact CB-CD1 4.25Å; L421-L458 HydrophobicContact CD1-CB 4.4Å; L421-L458 HydrophobicContact CD1-CD1 4.03Å |
| 422 | Q | 93.3 | Very high | 83.4 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 155.9 | 172.2 | -61.1 | -173.5 | -26.1 | 0 | 0 | 111.8 | I420 F432 E433 Q434 F456 R457 F469 | I420-Q422 HydrophobicContact CG2-CG 4.49Å; Q422-F432 HydrophobicContact CB-CB 3.99Å; Q422-F432 HydrophobicContact CB-CD1 4.39Å; Q422-E433 CarbonylContact C-O 3.47Å; Q422-E433 WeakPolarHBondContact CA-O 3.33Å; Q422-E433 WeakPolarHBondContact CB-O 3.34Å; Q422-Q434 HydrophobicContact CG-CB 4.36Å; Q422-F456 WeakPolarHBondContact O-CA 3.21Å; Q422-R457 HydrophobicContact CB-CG 4.02Å; Q422-R457 PolarHBondContact N-O 3.28Å; Q422-R457 PolarHBondContact O-N 2.93Å; Q422-R457 VanDerWaalsContact OE1-CZ 3.26Å; Q422-F469 HydrophobicContact CG-CE1 3.87Å; Q422-F469 HydrophobicContact CG-CZ 4.18Å |
| 423 | W | 91.9 | Very high | 83.5 | Confident | 46 Ų | 46 | 59 Ų | 59 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 154.5 | -178.2 | 78.9 | -42.5 | 0 | 0 | 0 | 112.9 | F432 E433 C435 V445 L448 Y454 S455 F456 | W423-F432 CarbonylContact O-C 3.59Å; W423-F432 WeakPolarHBondContact O-CA 3.41Å; W423-E433 PolarHBondContact N-O 3.29Å; W423-E433 PolarHBondContact O-N 3.06Å; W423-C435 HydrophobicContact CG-CB 4.07Å; W423-V445 HydrophobicContact CE3-CG1 4.49Å; W423-L448 HydrophobicContact CE3-CD2 4.03Å; W423-L448 HydrophobicContact CH2-CD2 4.19Å; W423-L448 HydrophobicContact CZ3-CD2 3.38Å; W423-Y454 AromaticContact CE3-CD1 3.68Å; W423-Y454 HydrophobicContact CE3-CD1 3.68Å; W423-Y454 HydrophobicContact CE3-CE1 4.21Å; W423-Y454 HydrophobicContact CE3-CG 4.38Å; W423-Y454 HydrophobicContact CH2-CE1 4.33Å; W423-Y454 AromaticContact CZ3-CD1 3.44Å; W423-Y454 HydrophobicContact CZ3-CD1 3.44Å; W423-Y454 VanDerWaalsContact CZ3-CD1 3.44Å; W423-Y454 AromaticContact CZ3-CE1 3.48Å; W423-Y454 HydrophobicContact CZ3-CE1 3.48Å; W423-Y454 VanDerWaalsContact CZ3-CE1 3.48Å; W423-Y454 HydrophobicContact CZ3-CG 4.35Å; W423-S455 CarbonylContact C-O 3.56Å; W423-S455 WeakPolarHBondContact CA-O 3.4Å; W423-F456 HydrophobicContact CB-CD1 3.52Å; W423-F456 HydrophobicContact CB-CE1 3.46Å; W423-F456 VanDerWaalsContact CB-CE1 3.46Å; W423-F456 HydrophobicContact CB-CZ 4.42Å; W423-F456 HydrophobicContact CE3-CE1 4.49Å; W423-F456 HydrophobicContact CG-CE1 4.38Å |
| 424 | D | 88.4 | Confident | 84.3 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.043 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 155.6 | 169.6 | 179.4 | 30.3 | 0 | 0 | 0 | 109.1 | G426 T429 T431 F432 S455 | D424-G426 PolarHBondContact O-N 2.95Å; D424-T429 PolarHBondContact OD1-OG1 3.03Å; D424-T431 PolarHBondContact OD1-OG1 2.61Å; D424-F432 HydrophobicContact CB-CD1 4.12Å; D424-F432 HydrophobicContact CB-CE1 4.02Å; D424-F432 HydrophobicContact CB-CZ 4.44Å; D424-S455 PolarHBondContact N-O 3.03Å; D424-S455 PolarHBondContact O-N 3.19Å; D424-S455 VanDerWaalsContact O-N 3.09Å |
| 425 | E | 82 | Confident | 84.5 | Confident | 101 Ų | 101 | 62.6 Ų | 62.6 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | trans | -71.2 | 18 | -177.9 | -66 | -164.3 | 120.5 | 0 | 0 | 114.1 | K427 R453 | E425-K427 HydrophobicContact CB-CD 4.09Å; E425-K427 HydrophobicContact CB-CG 4.23Å; E425-K427 PolarHBondContact O-N 2.97Å; E425-K427 VanDerWaalsContact O-N 3.11Å; E425-K427 WeakPolarHBondContact OE2-CE 3.3Å; E425-K427 IonicContact OE2-NZ 2.64Å; E425-K427 PolarHBondContact OE2-NZ 2.98Å; E425-R453 CarbonylContact C-O 3.6Å | ||
| 426 | G | 70.1 | Confident | 84.8 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 66.9 | 9.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D424 G428 R453 | D424-G426 PolarHBondContact O-N 2.95Å; G426-G428 VanDerWaalsContact C-N 3.32Å; G426-R453 WeakPolarHBondContact CA-O 3.26Å |
| 427 | K | 70.4 | Confident | 85 | Confident | 147 Ų | 147 | 59.5 Ų | 59.5 | 64% | 0.639 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -80.7 | -10.7 | -177.9 | -69.7 | 172.7 | -178.3 | 168.9 | 0 | 113.2 | E425 T429 | E425-K427 HydrophobicContact CB-CD 4.09Å; E425-K427 HydrophobicContact CB-CG 4.23Å; E425-K427 PolarHBondContact O-N 2.97Å; E425-K427 VanDerWaalsContact O-N 3.11Å; E425-K427 WeakPolarHBondContact OE2-CE 3.3Å; E425-K427 IonicContact OE2-NZ 2.64Å; E425-K427 PolarHBondContact OE2-NZ 2.98Å; K427-T429 VanDerWaalsContact C-N 3.3Å; K427-T429 HydrophobicContact CB-CG2 4.3Å |
| 428 | G | 65.3 | Low | 85 | Confident | 70 Ų | 70 | 54.6 Ų | 54.6 | 72% | 0.722 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 76 | 18.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | G426 G430 | G426-G428 VanDerWaalsContact C-N 3.32Å; G428-G430 VanDerWaalsContact C-N 3.28Å |
| 429 | T | 66.1 | Low | 84.9 | Confident | 86 Ų | 86 | 57.1 Ų | 57.1 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | trans | -76.3 | -15.2 | 178.4 | 40.7 | 0 | 0 | 0 | 0 | 112.9 | D424 K427 T431 | D424-T429 PolarHBondContact OD1-OG1 3.03Å; K427-T429 VanDerWaalsContact C-N 3.3Å; K427-T429 HydrophobicContact CB-CG2 4.3Å; T429-T431 WeakPolarHBondContact CB-OG1 3.39Å; T429-T431 PolarHBondContact O-N 2.84Å; T429-T431 PolarHBondContact OG1-OG1 3.15Å | ||
| 430 | G | 70.1 | Confident | 84.7 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 51% | 0.505 | 34% | 0.341 | S | S | . | . | trans | 72.6 | 6.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | G428 F432 | G428-G430 VanDerWaalsContact C-N 3.28Å; G430-F432 VanDerWaalsContact O-CD2 3.29Å; G430-F432 WeakPolarHBondContact O-CD2 3.42Å; G430-F432 PolarHBondContact O-N 3.06Å; G430-F432 VanDerWaalsContact O-N 3.11Å | ||
| 431 | T | 83.3 | Confident | 84.6 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | trans | -83.8 | 76.5 | -177.1 | 44.5 | 0 | 0 | 0 | 0 | 111 | D424 T429 E433 | D424-T431 PolarHBondContact OD1-OG1 2.61Å; T429-T431 WeakPolarHBondContact CB-OG1 3.39Å; T429-T431 PolarHBondContact O-N 2.84Å; T429-T431 PolarHBondContact OG1-OG1 3.15Å; T431-E433 PolarHBondContact O-N 3.29Å | ||
| 432 | F | 88.1 | Confident | 84.4 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | trans | -78.4 | 108.5 | -177.5 | -75.6 | -78.7 | 0 | 0 | 0 | 113.3 | Q422 W423 D424 G430 R457 V472 | Q422-F432 HydrophobicContact CB-CB 3.99Å; Q422-F432 HydrophobicContact CB-CD1 4.39Å; W423-F432 CarbonylContact O-C 3.59Å; W423-F432 WeakPolarHBondContact O-CA 3.41Å; D424-F432 HydrophobicContact CB-CD1 4.12Å; D424-F432 HydrophobicContact CB-CE1 4.02Å; D424-F432 HydrophobicContact CB-CZ 4.44Å; G430-F432 VanDerWaalsContact O-CD2 3.29Å; G430-F432 WeakPolarHBondContact O-CD2 3.42Å; G430-F432 PolarHBondContact O-N 3.06Å; G430-F432 VanDerWaalsContact O-N 3.11Å; F432-R457 HydrophobicContact CD1-CG 3.92Å; F432-R457 HydrophobicContact CE1-CG 4.15Å; F432-R457 HydrophobicContact CG-CG 4.25Å; F432-V472 HydrophobicContact CE1-CG1 4.21Å; F432-V472 HydrophobicContact CE1-CG2 4.36Å; F432-V472 HydrophobicContact CE2-CG2 4.09Å; F432-V472 HydrophobicContact CZ-CB 4.34Å; F432-V472 HydrophobicContact CZ-CG1 3.74Å; F432-V472 HydrophobicContact CZ-CG2 3.56Å | ||
| 433 | E | 87.7 | Confident | 84.4 | Confident | 133 Ų | 133 | 74.2 Ų | 74.2 | 62% | 0.621 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 155.6 | 170.9 | -65.7 | -166.7 | 153.2 | 0 | 0 | 112 | Q422 W423 T431 | Q422-E433 CarbonylContact C-O 3.47Å; Q422-E433 WeakPolarHBondContact CA-O 3.33Å; Q422-E433 WeakPolarHBondContact CB-O 3.34Å; W423-E433 PolarHBondContact N-O 3.29Å; W423-E433 PolarHBondContact O-N 3.06Å; T431-E433 PolarHBondContact O-N 3.29Å |
| 434 | Q | 91.8 | Very high | 84.4 | Confident | 110 Ų | 110 | 77.9 Ų | 77.9 | 51% | 0.514 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 115.1 | 175.3 | -173 | -167.7 | -99.5 | 0 | 0 | 112.1 | I420 Q422 | I420-Q434 HydrophobicContact CG2-CG 4.01Å; Q422-Q434 HydrophobicContact CG-CB 4.36Å |
| 435 | C | 89 | Confident | 84.4 | Confident | 26 Ų | 26 | 77.8 Ų | 77.8 | 18% | 0.176 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -16.2 | 176.9 | 60.1 | 0 | 0 | 0 | 0 | 114.3 | L421 W423 Y443 | L421-C435 VanDerWaalsContact CD2-SG 3.6Å; L421-C435 PolarHBondContact O-N 3.12Å; W423-C435 HydrophobicContact CG-CB 4.07Å; C435-Y443 WeakPolarHBondContact O-CE1 3.32Å; C435-Y443 PolarHBondContact O-OH 3.37Å |
| 436 | Y | 92 | Very high | 84.7 | Confident | 33 Ų | 33 | 76.2 Ų | 76.2 | 13% | 0.129 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 141.8 | 169.6 | 179.4 | -108.1 | 0 | 0 | 0 | 112.9 | W406 I420 L421 G438 Q440 Y443 | W406-Y436 AromaticContact CH2-CD1 3.91Å; W406-Y436 HydrophobicContact CH2-CD1 3.91Å; W406-Y436 HydrophobicContact CH2-CE1 4.31Å; W406-Y436 AromaticContact CZ2-CD1 3.94Å; W406-Y436 HydrophobicContact CZ2-CD1 3.94Å; W406-Y436 HydrophobicContact CZ2-CE1 4.01Å; I420-Y436 WeakPolarHBondContact CA-O 3.37Å; L421-Y436 PolarHBondContact N-O 2.83Å; L421-Y436 PolarHBondContact O-N 3.11Å; Y436-G438 WeakPolarHBondContact CE1-O 3.31Å; Y436-G438 VanDerWaalsContact OH-CA 3.24Å; Y436-G438 WeakPolarHBondContact OH-CA 2.91Å; Y436-Q440 VanDerWaalsContact OH-CB 3.27Å; Y436-Q440 WeakPolarHBondContact OH-CB 3.4Å; Y436-Q440 WeakPolarHBondContact OH-CG 3.35Å; Y436-Q440 PolarHBondContact OH-N 2.9Å; Y436-Y443 AromaticContact CD2-CD2 3.27Å; Y436-Y443 HydrophobicContact CD2-CD2 3.27Å; Y436-Y443 AromaticContact CD2-CE2 3.66Å; Y436-Y443 HydrophobicContact CD2-CE2 3.66Å; Y436-Y443 AromaticContact CD2-CG 3.86Å; Y436-Y443 HydrophobicContact CD2-CG 3.86Å; Y436-Y443 AromaticContact CE2-CD2 3.94Å; Y436-Y443 HydrophobicContact CE2-CD2 3.94Å; Y436-Y443 HydrophobicContact CE2-CE2 4.46Å; Y436-Y443 HydrophobicContact CG-CD1 4.48Å; Y436-Y443 AromaticContact CG-CD2 3.77Å; Y436-Y443 HydrophobicContact CG-CD2 3.77Å; Y436-Y443 HydrophobicContact CG-CE2 4.34Å; Y436-Y443 AromaticContact CG-CG 3.85Å; Y436-Y443 HydrophobicContact CG-CG 3.85Å |
| 437 | Y | 92.1 | Very high | 85.3 | Confident | 102 Ų | 102 | 84.8 Ų | 84.8 | 40% | 0.4 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 123.8 | 165.6 | -179.5 | -84.1 | 0 | 0 | 0 | 108.3 | N418 Y419 I420 K461 | N418-Y437 HydrophobicContact CB-CE1 4.08Å; N418-Y437 HydrophobicContact CB-CE2 4.24Å; N418-Y437 PolarHBondContact ND2-OH 2.79Å; Y419-Y437 WeakPolarHBondContact O-CA 3.49Å; I420-Y437 HydrophobicContact CD1-CD2 4.26Å; I420-Y437 HydrophobicContact CD1-CE2 4.21Å; I420-Y437 HydrophobicContact CG1-CD2 3.89Å; I420-Y437 HydrophobicContact CG1-CE2 4.15Å; Y437-K461 HydrophobicContact CE2-CD 4.39Å |
| 438 | G | 90.2 | Very high | 85.9 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.3 | 179.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | N418 Y419 Y436 Q440 | N418-G438 CarbonylContact C-O 3.56Å; N418-G438 WeakPolarHBondContact CA-O 3.35Å; N418-G438 VanDerWaalsContact OD1-CA 3.25Å; N418-G438 WeakPolarHBondContact OD1-CA 3.47Å; Y419-G438 PolarHBondContact N-O 3.35Å; Y419-G438 PolarHBondContact O-N 2.94Å; Y419-G438 VanDerWaalsContact O-N 3.08Å; Y436-G438 WeakPolarHBondContact CE1-O 3.31Å; Y436-G438 VanDerWaalsContact OH-CA 3.24Å; Y436-G438 WeakPolarHBondContact OH-CA 2.91Å; G438-Q440 PolarHBondContact O-N 3.24Å |
| 439 | P | 89.4 | Confident | 86.5 | Confident | 86 Ų | 86 | 78.1 Ų | 78.1 | 56% | 0.558 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -80 | -7.8 | -172.5 | 31.3 | -37.3 | 0 | 0 | 0 | 115.2 | K417 | K417-P439 WeakPolarHBondContact O-CB 3.34Š|
| 440 | Q | 90.4 | Very high | 86.8 | Confident | 114 Ų | 114 | 76 Ų | 76 | 53% | 0.533 | 38% | 0.382 | S | S | . | . | trans | -74.5 | 147.7 | -175.2 | -61.7 | -65.6 | -20.5 | 0 | 0 | 111.6 | W406 Y419 Y436 G438 Q442 | W406-Q440 VanDerWaalsContact CZ2-O 3.22Å; W406-Q440 WeakPolarHBondContact CZ2-O 3.47Å; Y419-Q440 WeakPolarHBondContact CD2-O 3.24Å; Y436-Q440 VanDerWaalsContact OH-CB 3.27Å; Y436-Q440 WeakPolarHBondContact OH-CB 3.4Å; Y436-Q440 WeakPolarHBondContact OH-CG 3.35Å; Y436-Q440 PolarHBondContact OH-N 2.9Å; G438-Q440 PolarHBondContact O-N 3.24Å; Q440-Q442 VanDerWaalsContact C-N 3.28Å | ||
| 441 | K | 90.6 | Very high | 86.7 | Confident | 113 Ų | 113 | 75.8 Ų | 75.8 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -91.3 | 12.3 | 176.1 | -60.7 | -177.4 | -176.7 | 178.4 | 0 | 113.2 | A405 W406 Y419 | A405-K441 WeakPolarHBondContact CA-O 3.32Å; W406-K441 PolarHBondContact N-O 3.35Å; Y419-K441 HydrophobicContact CE2-CG 4.14Å |
| 442 | Q | 91.2 | Very high | 86.4 | Confident | 115 Ų | 115 | 73 Ų | 73 | 54% | 0.537 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 152.4 | 177.3 | 62.6 | 177.4 | -0.5 | 0 | 0 | 111.2 | L404 A405 Q440 | L404-Q442 CarbonylContact O-C 3.41Å; L404-Q442 WeakPolarHBondContact O-CA 3.33Å; L404-Q442 WeakPolarHBondContact O-CB 3.47Å; A405-Q442 HydrophobicContact CB-CB 3.96Å; Q440-Q442 VanDerWaalsContact C-N 3.28Å |
| 443 | Y | 92.6 | Very high | 86.1 | Confident | 75 Ų | 75 | 77 Ų | 77 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 151.4 | 176.2 | -178.7 | -109.8 | 0 | 0 | 0 | 111.7 | V403 L404 L421 C435 Y436 V445 | V403-Y443 WeakPolarHBondContact CA-O 3.45Å; L404-Y443 PolarHBondContact N-O 2.92Å; L404-Y443 PolarHBondContact O-N 3.11Å; L421-Y443 HydrophobicContact CD2-CD1 4.08Å; C435-Y443 WeakPolarHBondContact O-CE1 3.32Å; C435-Y443 PolarHBondContact O-OH 3.37Å; Y436-Y443 AromaticContact CD2-CD2 3.27Å; Y436-Y443 HydrophobicContact CD2-CD2 3.27Å; Y436-Y443 AromaticContact CD2-CE2 3.66Å; Y436-Y443 HydrophobicContact CD2-CE2 3.66Å; Y436-Y443 AromaticContact CD2-CG 3.86Å; Y436-Y443 HydrophobicContact CD2-CG 3.86Å; Y436-Y443 AromaticContact CE2-CD2 3.94Å; Y436-Y443 HydrophobicContact CE2-CD2 3.94Å; Y436-Y443 HydrophobicContact CE2-CE2 4.46Å; Y436-Y443 HydrophobicContact CG-CD1 4.48Å; Y436-Y443 AromaticContact CG-CD2 3.77Å; Y436-Y443 HydrophobicContact CG-CD2 3.77Å; Y436-Y443 HydrophobicContact CG-CE2 4.34Å; Y436-Y443 AromaticContact CG-CG 3.85Å; Y436-Y443 HydrophobicContact CG-CG 3.85Å; Y443-V445 HydrophobicContact CD1-CG2 3.9Å; Y443-V445 HydrophobicContact CE1-CB 4.49Å; Y443-V445 HydrophobicContact CE1-CG2 4.05Å |
| 444 | R | 91.3 | Very high | 86 | Confident | 123 Ų | 123 | 71.2 Ų | 71.2 | 46% | 0.464 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 107 | 173 | -179 | -176 | -67 | -87.1 | 1.3 | 109.8 | T401 L402 V403 T446 | T401-R444 PolarHBondContact OG1-NH1 2.84Å; L402-R444 CarbonylContact O-C 3.54Å; L402-R444 WeakPolarHBondContact O-CA 3.47Å; V403-R444 HydrophobicContact CG2-CB 4.19Å; V403-R444 HydrophobicContact CG2-CG 4.01Å; R444-T446 HydrophobicContact CG-CG2 3.91Å |
| 445 | V | 89.1 | Confident | 85.9 | Confident | 6 Ų | 6 | 66.4 Ų | 66.4 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 136.7 | 168.4 | -164.6 | 0 | 0 | 0 | 0 | 108.6 | T401 L402 L404 W423 Y443 L448 F456 | T401-V445 VanDerWaalsContact CA-O 3.26Å; T401-V445 WeakPolarHBondContact CA-O 3.4Å; T401-V445 WeakPolarHBondContact CB-O 3.34Å; L402-V445 PolarHBondContact N-O 2.65Å; L402-V445 PolarHBondContact O-N 3.16Å; L404-V445 HydrophobicContact CD1-CG2 4.09Å; L404-V445 HydrophobicContact CG-CG2 4.46Å; W423-V445 HydrophobicContact CE3-CG1 4.49Å; Y443-V445 HydrophobicContact CD1-CG2 3.9Å; Y443-V445 HydrophobicContact CE1-CB 4.49Å; Y443-V445 HydrophobicContact CE1-CG2 4.05Å; V445-L448 HydrophobicContact CB-CD1 4.31Å; V445-L448 HydrophobicContact CG1-CD1 4.19Å; V445-L448 HydrophobicContact CG1-CD2 3.77Å; V445-L448 HydrophobicContact CG1-CG 4.16Å; V445-F456 HydrophobicContact CG1-CE1 4.45Å; V445-F456 HydrophobicContact CG2-CE1 3.87Å; V445-F456 HydrophobicContact CG2-CZ 4.33Å |
| 446 | T | 87.4 | Confident | 86 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | trans | -135.2 | 175.4 | -176.3 | 64.8 | 0 | 0 | 0 | 0 | 110.6 | T401 R444 L448 | T401-T446 HydrophobicContact CG2-CG2 3.93Å; R444-T446 HydrophobicContact CG-CG2 3.91Å; T446-L448 PolarHBondContact O-N 3.42Å | ||
| 447 | K | 84.1 | Confident | 86 | Confident | 194 Ų | 194 | 66.9 Ų | 66.9 | 84% | 0.843 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 61.1 | 23.1 | -173.5 | -52.3 | 180 | 179.7 | 178.3 | 0 | 114.2 | N400 | N400-K447 PolarHBondContact O-N 3.12Š|
| 448 | L | 83.1 | Confident | 86.1 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 154.1 | 175.6 | -56.5 | -179.9 | 0 | 0 | 0 | 110.7 | N400 L402 W423 V445 T446 Y454 T477 | N400-L448 VanDerWaalsContact CA-O 3.31Å; N400-L448 WeakPolarHBondContact CA-O 3.43Å; N400-L448 WeakPolarHBondContact CB-O 3.26Å; N400-L448 PolarHBondContact ND2-O 3.07Å; N400-L448 PolarHBondContact O-N 2.91Å; N400-L448 VanDerWaalsContact O-N 3.13Å; L402-L448 HydrophobicContact CB-CD1 3.87Å; L402-L448 HydrophobicContact CD1-CD1 3.75Å; L402-L448 HydrophobicContact CG-CD1 3.58Å; W423-L448 HydrophobicContact CE3-CD2 4.03Å; W423-L448 HydrophobicContact CH2-CD2 4.19Å; W423-L448 HydrophobicContact CZ3-CD2 3.38Å; V445-L448 HydrophobicContact CB-CD1 4.31Å; V445-L448 HydrophobicContact CG1-CD1 4.19Å; V445-L448 HydrophobicContact CG1-CD2 3.77Å; V445-L448 HydrophobicContact CG1-CG 4.16Å; T446-L448 PolarHBondContact O-N 3.42Å; L448-Y454 HydrophobicContact CB-CD2 4.47Å; L448-Y454 HydrophobicContact CB-CE2 3.79Å; L448-Y454 HydrophobicContact CD1-CD2 4.24Å; L448-Y454 HydrophobicContact CD1-CE2 4.38Å; L448-Y454 HydrophobicContact CD2-CD1 4.16Å; L448-Y454 HydrophobicContact CD2-CD2 4Å; L448-Y454 HydrophobicContact CD2-CE1 4.01Å; L448-Y454 HydrophobicContact CD2-CE2 3.82Å; L448-Y454 HydrophobicContact CD2-CG 4.16Å; L448-Y454 HydrophobicContact CG-CD2 4.48Å; L448-Y454 HydrophobicContact CG-CE2 4.21Å; L448-T477 HydrophobicContact CB-CG2 3.61Å; L448-T477 HydrophobicContact CD1-CG2 3.74Å; L448-T477 HydrophobicContact CG-CG2 4.34Å |
| 449 | T | 77.8 | Confident | 86.3 | Confident | 77 Ų | 77 | 61.8 Ų | 61.8 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 144.8 | 174.2 | -56 | 0 | 0 | 0 | 0 | 110.3 | K399 S452 Y454 T477 | K399-T449 CarbonylContact O-C 3.53Å; T449-S452 WeakPolarHBondContact CB-OG 3.19Å; T449-S452 WeakPolarHBondContact CG2-OG 3.3Å; T449-S452 WeakPolarHBondContact O-CB 3.47Å; T449-Y454 WeakPolarHBondContact CB-OH 3.28Å; T449-Y454 PolarHBondContact N-OH 2.81Å; T449-Y454 PolarHBondContact OG1-OH 2.82Å; T449-T477 WeakPolarHBondContact O-CB 3.45Å; T449-T477 WeakPolarHBondContact O-CG2 3.2Å; T449-T477 PolarHBondContact O-OG1 3.47Å |
| 450 | P | 72.4 | Confident | 86.4 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 152.6 | 172.3 | -25.9 | 36.2 | 0 | 0 | 0 | 113.9 | K399 S452 | K399-P450 HydrophobicContact CB-CB 4.16Å; K399-P450 HydrophobicContact CB-CG 4.21Å; K399-P450 WeakPolarHBondContact O-CA 3.37Å; P450-S452 PolarHBondContact O-N 2.84Å; P450-S452 PolarHBondContact O-OG 2.92Å |
| 451 | A | 67.4 | Low | 86.4 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 28 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T477 S478 P509 | A451-T477 PolarHBondContact N-OG1 3.38Å; A451-T477 VanDerWaalsContact N-OG1 3.15Å; A451-S478 PolarHBondContact N-O 3.44Å; A451-P509 HydrophobicContact CB-CB 3.91Å; A451-P509 HydrophobicContact CB-CG 3.9Å |
| 452 | S | 76 | Confident | 86.3 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | trans | -111.8 | 144.8 | -169.7 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | T449 P450 F476 T477 | T449-S452 WeakPolarHBondContact CB-OG 3.19Å; T449-S452 WeakPolarHBondContact CG2-OG 3.3Å; T449-S452 WeakPolarHBondContact O-CB 3.47Å; P450-S452 PolarHBondContact O-N 2.84Å; P450-S452 PolarHBondContact O-OG 2.92Å; S452-F476 WeakPolarHBondContact O-CA 3.3Å; S452-T477 PolarHBondContact N-OG1 3.31Å; S452-T477 PolarHBondContact O-N 3.49Å; S452-T477 VanDerWaalsContact O-N 3.16Å; S452-T477 PolarHBondContact O-OG1 3.46Å | ||
| 453 | R | 82.3 | Confident | 86.1 | Confident | 120 Ų | 120 | 49.9 Ų | 49.9 | 45% | 0.453 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 139.5 | 175.5 | -176.2 | -179.2 | 178.5 | 167 | 0.1 | 110.1 | E425 G426 D474 F476 | E425-R453 CarbonylContact C-O 3.6Å; G426-R453 WeakPolarHBondContact CA-O 3.26Å; R453-D474 IonicContact CZ-OD1 2.68Å; R453-D474 IonicContact CZ-OD2 3.81Å; R453-D474 IonicContact NE-OD1 2.67Å; R453-D474 PolarHBondContact NE-OD1 3.46Å; R453-D474 IonicContact NE-OD2 3.19Å; R453-D474 IonicContact NH2-OD1 2.99Å; R453-D474 PolarHBondContact NH2-OD1 3.47Å; R453-D474 IonicContact NH2-OD2 2.87Å; R453-D474 PolarHBondContact NH2-OD2 3.4Å; R453-F476 HydrophobicContact CB-CD1 4.04Å; R453-F476 HydrophobicContact CB-CE1 3.66Å; R453-F476 HydrophobicContact CB-CZ 4.18Å; R453-F476 HydrophobicContact CG-CE1 4.09Å; R453-F476 HydrophobicContact CG-CZ 4.08Å |
| 454 | Y | 85.6 | Confident | 85.7 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 137.8 | 170.7 | -66.2 | -77.6 | 0 | 0 | 0 | 109.6 | W423 L448 T449 F456 L475 T477 | W423-Y454 AromaticContact CE3-CD1 3.68Å; W423-Y454 HydrophobicContact CE3-CD1 3.68Å; W423-Y454 HydrophobicContact CE3-CE1 4.21Å; W423-Y454 HydrophobicContact CE3-CG 4.38Å; W423-Y454 HydrophobicContact CH2-CE1 4.33Å; W423-Y454 AromaticContact CZ3-CD1 3.44Å; W423-Y454 HydrophobicContact CZ3-CD1 3.44Å; W423-Y454 VanDerWaalsContact CZ3-CD1 3.44Å; W423-Y454 AromaticContact CZ3-CE1 3.48Å; W423-Y454 HydrophobicContact CZ3-CE1 3.48Å; W423-Y454 VanDerWaalsContact CZ3-CE1 3.48Å; W423-Y454 HydrophobicContact CZ3-CG 4.35Å; L448-Y454 HydrophobicContact CB-CD2 4.47Å; L448-Y454 HydrophobicContact CB-CE2 3.79Å; L448-Y454 HydrophobicContact CD1-CD2 4.24Å; L448-Y454 HydrophobicContact CD1-CE2 4.38Å; L448-Y454 HydrophobicContact CD2-CD1 4.16Å; L448-Y454 HydrophobicContact CD2-CD2 4Å; L448-Y454 HydrophobicContact CD2-CE1 4.01Å; L448-Y454 HydrophobicContact CD2-CE2 3.82Å; L448-Y454 HydrophobicContact CD2-CG 4.16Å; L448-Y454 HydrophobicContact CG-CD2 4.48Å; L448-Y454 HydrophobicContact CG-CE2 4.21Å; T449-Y454 WeakPolarHBondContact CB-OH 3.28Å; T449-Y454 PolarHBondContact N-OH 2.81Å; T449-Y454 PolarHBondContact OG1-OH 2.82Å; Y454-F456 WeakPolarHBondContact O-CE2 3.25Å; Y454-L475 PolarHBondContact N-O 3.5Å; Y454-L475 PolarHBondContact O-N 3.43Å; Y454-T477 HydrophobicContact CD2-CG2 4.48Å; Y454-T477 HydrophobicContact CE2-CG2 4.25Å |
| 455 | S | 89.5 | Confident | 85.4 | Confident | 8 Ų | 8 | 46 Ų | 46 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.7 | -176.4 | -43.8 | 0 | 0 | 0 | 0 | 109.6 | W423 D424 V473 D474 | W423-S455 CarbonylContact C-O 3.56Å; W423-S455 WeakPolarHBondContact CA-O 3.4Å; D424-S455 PolarHBondContact N-O 3.03Å; D424-S455 PolarHBondContact O-N 3.19Å; D424-S455 VanDerWaalsContact O-N 3.09Å; S455-V473 CarbonylContact C-O 3.5Å; S455-V473 WeakPolarHBondContact CA-O 3.41Å; S455-D474 WeakPolarHBondContact CB-OD1 3.45Å; S455-D474 PolarHBondContact OG-OD1 3.16Å |
| 456 | F | 91.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.8 | -172.7 | -61.4 | -85.5 | 0 | 0 | 0 | 112.9 | P392 L402 L404 Q422 W423 V445 Y454 V472 V473 L475 | P392-F456 HydrophobicContact CG-CB 4.15Å; L402-F456 HydrophobicContact CD1-CE2 3.98Å; L402-F456 HydrophobicContact CD1-CZ 4.12Å; L404-F456 HydrophobicContact CD1-CB 4.37Å; L404-F456 HydrophobicContact CD1-CD1 3.58Å; L404-F456 HydrophobicContact CD1-CD2 4Å; L404-F456 HydrophobicContact CD1-CE1 3.78Å; L404-F456 HydrophobicContact CD1-CE2 4.16Å; L404-F456 HydrophobicContact CD1-CG 3.7Å; L404-F456 HydrophobicContact CD1-CZ 4.06Å; Q422-F456 WeakPolarHBondContact O-CA 3.21Å; W423-F456 HydrophobicContact CB-CD1 3.52Å; W423-F456 HydrophobicContact CB-CE1 3.46Å; W423-F456 VanDerWaalsContact CB-CE1 3.46Å; W423-F456 HydrophobicContact CB-CZ 4.42Å; W423-F456 HydrophobicContact CE3-CE1 4.49Å; W423-F456 HydrophobicContact CG-CE1 4.38Å; V445-F456 HydrophobicContact CG1-CE1 4.45Å; V445-F456 HydrophobicContact CG2-CE1 3.87Å; V445-F456 HydrophobicContact CG2-CZ 4.33Å; Y454-F456 WeakPolarHBondContact O-CE2 3.25Å; F456-V472 CarbonylContact O-C 3.56Å; F456-V472 WeakPolarHBondContact O-CA 3.44Å; F456-V473 HydrophobicContact CB-CG1 4.07Å; F456-V473 PolarHBondContact N-O 2.69Å; F456-V473 PolarHBondContact O-N 2.85Å; F456-L475 HydrophobicContact CD2-CB 4.37Å; F456-L475 HydrophobicContact CD2-CD1 4.03Å; F456-L475 HydrophobicContact CD2-CG 4.43Å; F456-L475 HydrophobicContact CE2-CB 4.16Å; F456-L475 HydrophobicContact CE2-CD1 4.31Å |
| 457 | R | 92.6 | Very high | 85.6 | Confident | 69 Ų | 69 | 45.3 Ų | 45.3 | 26% | 0.26 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 156.5 | 170.5 | 66.8 | -179.8 | -170.7 | -173 | -0.3 | 111.9 | Q422 F432 F469 V472 | Q422-R457 HydrophobicContact CB-CG 4.02Å; Q422-R457 PolarHBondContact N-O 3.28Å; Q422-R457 PolarHBondContact O-N 2.93Å; Q422-R457 VanDerWaalsContact OE1-CZ 3.26Å; F432-R457 HydrophobicContact CD1-CG 3.92Å; F432-R457 HydrophobicContact CE1-CG 4.15Å; F432-R457 HydrophobicContact CG-CG 4.25Å; R457-F469 HydrophobicContact CB-CD1 4.37Å; R457-F469 HydrophobicContact CG-CB 4.42Å; R457-F469 HydrophobicContact CG-CD1 3.78Å; R457-F469 HydrophobicContact CG-CE1 4.41Å; R457-F469 HydrophobicContact CG-CG 4.29Å; R457-V472 HydrophobicContact CB-CG2 4.38Å |
| 458 | L | 94.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 139 | -168.3 | -177.8 | 74.3 | 0 | 0 | 0 | 112 | P389 P392 W406 I420 L421 F469 S470 | P389-L458 HydrophobicContact CB-CD2 3.92Å; P389-L458 HydrophobicContact CB-CG 4.35Å; P389-L458 HydrophobicContact CG-CB 4.22Å; P389-L458 HydrophobicContact CG-CD2 3.99Å; P389-L458 HydrophobicContact CG-CG 3.87Å; P389-L458 WeakPolarHBondContact CG-O 3.3Å; P392-L458 HydrophobicContact CG-CB 4.49Å; W406-L458 HydrophobicContact CB-CD2 3.47Å; W406-L458 VanDerWaalsContact CB-CD2 3.47Å; W406-L458 HydrophobicContact CD2-CD1 3.92Å; W406-L458 HydrophobicContact CD2-CD2 3.79Å; W406-L458 HydrophobicContact CE3-CD1 4.29Å; W406-L458 HydrophobicContact CE3-CD2 4.44Å; W406-L458 HydrophobicContact CG-CD1 4.32Å; W406-L458 HydrophobicContact CG-CD2 3.35Å; W406-L458 HydrophobicContact CG-CG 4.48Å; W406-L458 HydrophobicContact CH2-CD1 4.4Å; W406-L458 HydrophobicContact CZ2-CD1 4.04Å; I420-L458 CarbonylContact O-C 3.52Å; I420-L458 WeakPolarHBondContact O-CA 3.29Å; L421-L458 HydrophobicContact CB-CD1 4.25Å; L421-L458 HydrophobicContact CD1-CB 4.4Å; L421-L458 HydrophobicContact CD1-CD1 4.03Å; L458-F469 CarbonylContact O-C 3.48Å; L458-F469 WeakPolarHBondContact O-CA 3.48Å; L458-S470 PolarHBondContact N-OG 3.29Å; L458-S470 PolarHBondContact O-N 2.95Å |
| 459 | A | 92.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 163.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y419 I420 V466 F469 | Y419-A459 CarbonylContact C-O 3.58Å; Y419-A459 VanDerWaalsContact CA-O 3.31Å; Y419-A459 WeakPolarHBondContact CA-O 3.33Å; I420-A459 HydrophobicContact CB-CB 4.38Å; I420-A459 PolarHBondContact N-O 2.8Å; I420-A459 PolarHBondContact O-N 2.84Å; A459-V466 HydrophobicContact CB-CG1 4.18Å; A459-F469 HydrophobicContact CB-CD1 3.67Å; A459-F469 HydrophobicContact CB-CD2 4.42Å; A459-F469 HydrophobicContact CB-CE1 3.68Å; A459-F469 HydrophobicContact CB-CE2 4.43Å; A459-F469 HydrophobicContact CB-CG 4.05Å; A459-F469 HydrophobicContact CB-CZ 4.08Å |
| 460 | A | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 146.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P386 P409 I416 Y419 V466 S467 | P386-A460 HydrophobicContact CB-CB 4.29Å; P386-A460 HydrophobicContact CG-CB 4.48Å; P409-A460 HydrophobicContact CG-CB 3.67Å; I416-A460 HydrophobicContact CD1-CB 4.39Å; I416-A460 HydrophobicContact CG2-CB 4.18Å; Y419-A460 HydrophobicContact CD1-CB 4.18Å; Y419-A460 HydrophobicContact CE1-CB 4.22Å; A460-V466 WeakPolarHBondContact O-CA 3.42Å; A460-S467 PolarHBondContact N-OG 2.73Å; A460-S467 PolarHBondContact O-N 2.97Å; A460-S467 PolarHBondContact O-OG 2.84Å |
| 461 | K | 91 | Very high | 87.6 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126.6 | -175 | 178.4 | 171.2 | -170.7 | 172.4 | 0 | 112.2 | I416 K417 N418 Y437 G465 V466 | I416-K461 CarbonylContact C-O 3.59Å; I416-K461 WeakPolarHBondContact CA-O 3.47Å; K417-K461 PolarHBondContact N-O 3.09Å; N418-K461 PolarHBondContact N-O 2.94Å; N418-K461 PolarHBondContact O-N 2.81Å; Y437-K461 HydrophobicContact CE2-CD 4.39Å; K461-G465 WeakPolarHBondContact CA-O 3.4Å; K461-G465 WeakPolarHBondContact CG-O 3.49Å; K461-V466 HydrophobicContact CB-CG2 4.15Å; K461-V466 HydrophobicContact CD-CG2 3.83Å; K461-V466 HydrophobicContact CG-CG2 3.89Å |
| 462 | N | 89.4 | Confident | 88.6 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | trans | -111.7 | -159.3 | 168.3 | 68.8 | 10 | 0 | 0 | 0 | 110.9 | C384 P386 D411 S414 K415 M464 G465 | C384-N462 PolarHBondContact O-ND2 3.41Å; P386-N462 HydrophobicContact CG-CB 3.88Å; D411-N462 PolarHBondContact O-ND2 2.96Å; S414-N462 WeakPolarHBondContact CB-ND2 3.42Å; S414-N462 WeakPolarHBondContact O-CB 3.17Å; S414-N462 PolarHBondContact O-ND2 2.99Å; K415-N462 WeakPolarHBondContact O-CB 3.41Å; N462-M464 WeakPolarHBondContact OD1-CA 3.25Å; N462-M464 WeakPolarHBondContact OD1-CB 3.44Å; N462-M464 PolarHBondContact OD1-N 3.06Å; N462-G465 PolarHBondContact N-O 2.92Å; N462-G465 PolarHBondContact OD1-N 3.39Å; N462-G465 VanDerWaalsContact OD1-N 3.1Å | ||
| 463 | D | 86.1 | Confident | 89.2 | Confident | 103 Ų | 103 | 50.7 Ų | 50.7 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -83.1 | -14.3 | 177.1 | -74.3 | -36.4 | 0 | 0 | 0 | 114.3 | S414 K417 | S414-D463 PolarHBondContact OG-N 3.09Å; K417-D463 WeakPolarHBondContact CD-OD1 3.33Å; K417-D463 VanDerWaalsContact CE-OD1 3.23Å; K417-D463 WeakPolarHBondContact CE-OD1 3.37Å; K417-D463 WeakPolarHBondContact CE-OD2 3.36Å; K417-D463 IonicContact NZ-OD1 2.63Å; K417-D463 PolarHBondContact NZ-OD1 3.21Å; K417-D463 IonicContact NZ-OD2 2.66Å; K417-D463 PolarHBondContact NZ-OD2 2.64Å |
| 464 | M | 83.5 | Confident | 89.3 | Confident | 101 Ų | 101 | 47.7 Ų | 47.7 | 50% | 0.498 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -83.8 | -33.1 | 174.8 | -54.9 | -52.1 | -64.4 | 0 | 0 | 111.3 | C384 E385 N462 | C384-M464 VanDerWaalsContact C-CB 3.49Å; C384-M464 WeakPolarHBondContact O-CG 3.48Å; E385-M464 HydrophobicContact CG-CB 4.27Å; N462-M464 WeakPolarHBondContact OD1-CA 3.25Å; N462-M464 WeakPolarHBondContact OD1-CB 3.44Å; N462-M464 PolarHBondContact OD1-N 3.06Å |
| 465 | G | 85.7 | Confident | 89.2 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | trans | 160.1 | -143.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E385 K461 N462 | E385-G465 WeakPolarHBondContact OE1-CA 3.15Å; K461-G465 WeakPolarHBondContact CA-O 3.4Å; K461-G465 WeakPolarHBondContact CG-O 3.49Å; N462-G465 PolarHBondContact N-O 2.92Å; N462-G465 PolarHBondContact OD1-N 3.39Å; N462-G465 VanDerWaalsContact OD1-N 3.1Å | ||
| 466 | V | 88.7 | Confident | 88.7 | Confident | 52 Ų | 52 | 53.4 Ų | 53.4 | 32% | 0.315 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -128.5 | 125.3 | -167.9 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | E385 I420 A459 A460 K461 | E385-V466 PolarHBondContact OE1-N 2.66Å; I420-V466 HydrophobicContact CD1-CG1 3.92Å; A459-V466 HydrophobicContact CB-CG1 4.18Å; A460-V466 WeakPolarHBondContact O-CA 3.42Å; K461-V466 HydrophobicContact CB-CG2 4.15Å; K461-V466 HydrophobicContact CD-CG2 3.83Å; K461-V466 HydrophobicContact CG-CG2 3.89Å |
| 467 | S | 91.8 | Very high | 87.8 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 161.1 | 175.3 | 77.8 | 0 | 0 | 0 | 0 | 112.2 | P386 P389 A460 | P386-S467 WeakPolarHBondContact O-CB 3.14Å; P389-S467 WeakPolarHBondContact CD-OG 3.43Å; A460-S467 PolarHBondContact N-OG 2.73Å; A460-S467 PolarHBondContact O-N 2.97Å; A460-S467 PolarHBondContact O-OG 2.84Å |
| 468 | E | 89.6 | Confident | 86.5 | Confident | 154 Ų | 154 | 52.5 Ų | 52.5 | 72% | 0.72 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 160.7 | 160.8 | -53.4 | -170.3 | 127.8 | 0 | 0 | 111.2 | P388 | P388-E468 HydrophobicContact CB-CB 4.42Å; P388-E468 HydrophobicContact CG-CB 3.96Å |
| 469 | F | 90.6 | Very high | 85 | Confident | 71 Ų | 71 | 54 Ų | 54 | 31% | 0.311 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 148.5 | 176.5 | -76.2 | -86.9 | 0 | 0 | 0 | 111.7 | I420 Q422 R457 L458 A459 | I420-F469 HydrophobicContact CG2-CE1 4.42Å; I420-F469 HydrophobicContact CG2-CZ 4.49Å; Q422-F469 HydrophobicContact CG-CE1 3.87Å; Q422-F469 HydrophobicContact CG-CZ 4.18Å; R457-F469 HydrophobicContact CB-CD1 4.37Å; R457-F469 HydrophobicContact CG-CB 4.42Å; R457-F469 HydrophobicContact CG-CD1 3.78Å; R457-F469 HydrophobicContact CG-CE1 4.41Å; R457-F469 HydrophobicContact CG-CG 4.29Å; L458-F469 CarbonylContact O-C 3.48Å; L458-F469 WeakPolarHBondContact O-CA 3.48Å; A459-F469 HydrophobicContact CB-CD1 3.67Å; A459-F469 HydrophobicContact CB-CD2 4.42Å; A459-F469 HydrophobicContact CB-CE1 3.68Å; A459-F469 HydrophobicContact CB-CE2 4.43Å; A459-F469 HydrophobicContact CB-CG 4.05Å; A459-F469 HydrophobicContact CB-CZ 4.08Å |
| 470 | S | 91.9 | Very high | 83.7 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 160.5 | 167 | 78 | 0 | 0 | 0 | 0 | 111.8 | P389 L458 | P389-S470 WeakPolarHBondContact O-CB 3.23Å; L458-S470 PolarHBondContact N-OG 3.29Å; L458-S470 PolarHBondContact O-N 2.95Å |
| 471 | E | 87.5 | Confident | 82.7 | Confident | 157 Ų | 157 | 59.2 Ų | 59.2 | 73% | 0.734 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 151.1 | 160.7 | -53.7 | 176.2 | 143.1 | 0 | 0 | 111 | P391 | P391-E471 HydrophobicContact CG-CB 3.82Š|
| 472 | V | 88.8 | Confident | 81.9 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 44% | 0.442 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 134.8 | 179.5 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | F432 F456 R457 | F432-V472 HydrophobicContact CE1-CG1 4.21Å; F432-V472 HydrophobicContact CE1-CG2 4.36Å; F432-V472 HydrophobicContact CE2-CG2 4.09Å; F432-V472 HydrophobicContact CZ-CB 4.34Å; F432-V472 HydrophobicContact CZ-CG1 3.74Å; F432-V472 HydrophobicContact CZ-CG2 3.56Å; F456-V472 CarbonylContact O-C 3.56Å; F456-V472 WeakPolarHBondContact O-CA 3.44Å; R457-V472 HydrophobicContact CB-CG2 4.38Å |
| 473 | V | 87.8 | Confident | 81.5 | Confident | 37 Ų | 37 | 61 Ų | 61 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.9 | 176.8 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | P391 P392 S455 F456 L475 | P391-V473 HydrophobicContact CB-CB 4.37Å; P391-V473 HydrophobicContact CB-CG1 4.41Å; P392-V473 HydrophobicContact CG-CG1 3.81Å; P392-V473 WeakPolarHBondContact O-CG1 3.34Å; S455-V473 CarbonylContact C-O 3.5Å; S455-V473 WeakPolarHBondContact CA-O 3.41Å; F456-V473 HydrophobicContact CB-CG1 4.07Å; F456-V473 PolarHBondContact N-O 2.69Å; F456-V473 PolarHBondContact O-N 2.85Å; V473-L475 HydrophobicContact CG2-CD2 4.37Å; V473-L475 HydrophobicContact CG2-CG 4.35Å |
| 474 | D | 85.3 | Confident | 81.3 | Confident | 57 Ų | 57 | 59 Ų | 59 | 31% | 0.305 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 132.1 | 178 | -77.1 | -69.5 | 0 | 0 | 0 | 112.3 | R453 S455 | R453-D474 IonicContact CZ-OD1 2.68Å; R453-D474 IonicContact CZ-OD2 3.81Å; R453-D474 IonicContact NE-OD1 2.67Å; R453-D474 PolarHBondContact NE-OD1 3.46Å; R453-D474 IonicContact NE-OD2 3.19Å; R453-D474 IonicContact NH2-OD1 2.99Å; R453-D474 PolarHBondContact NH2-OD1 3.47Å; R453-D474 IonicContact NH2-OD2 2.87Å; R453-D474 PolarHBondContact NH2-OD2 3.4Å; S455-D474 WeakPolarHBondContact CB-OD1 3.45Å; S455-D474 PolarHBondContact OG-OD1 3.16Å |
| 475 | L | 83.2 | Confident | 81.5 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 13% | 0.131 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 145.5 | -176.7 | -62.9 | 173.1 | 0 | 0 | 0 | 111.4 | K394 L402 L404 Y454 F456 V473 | K394-L475 HydrophobicContact CB-CD1 4.11Å; K394-L475 HydrophobicContact CB-CD2 3.93Å; K394-L475 HydrophobicContact CD-CD2 4.46Å; L402-L475 HydrophobicContact CD1-CB 4.05Å; L404-L475 HydrophobicContact CD2-CD1 3.29Å; Y454-L475 PolarHBondContact N-O 3.5Å; Y454-L475 PolarHBondContact O-N 3.43Å; F456-L475 HydrophobicContact CD2-CB 4.37Å; F456-L475 HydrophobicContact CD2-CD1 4.03Å; F456-L475 HydrophobicContact CD2-CG 4.43Å; F456-L475 HydrophobicContact CE2-CB 4.16Å; F456-L475 HydrophobicContact CE2-CD1 4.31Å; V473-L475 HydrophobicContact CG2-CD2 4.37Å; V473-L475 HydrophobicContact CG2-CG 4.35Å |
| 476 | F | 78.6 | Confident | 81.6 | Confident | 115 Ų | 115 | 59.2 Ų | 59.2 | 50% | 0.504 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141.1 | -176.5 | -62.4 | -97.3 | 0 | 0 | 0 | 112.2 | K394 S452 R453 | K394-F476 PolarHBondContact NZ-O 2.68Å; S452-F476 WeakPolarHBondContact O-CA 3.3Å; R453-F476 HydrophobicContact CB-CD1 4.04Å; R453-F476 HydrophobicContact CB-CE1 3.66Å; R453-F476 HydrophobicContact CB-CZ 4.18Å; R453-F476 HydrophobicContact CG-CE1 4.09Å; R453-F476 HydrophobicContact CG-CZ 4.08Å |
| 477 | T | 74 | Confident | 81.7 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 5% | 0.049 | 31% | 0.313 | C | S | . | . | trans | -71.2 | 160.6 | 164.6 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | L402 L448 T449 A451 S452 Y454 | L402-T477 HydrophobicContact CG-CG2 4.29Å; L448-T477 HydrophobicContact CB-CG2 3.61Å; L448-T477 HydrophobicContact CD1-CG2 3.74Å; L448-T477 HydrophobicContact CG-CG2 4.34Å; T449-T477 WeakPolarHBondContact O-CB 3.45Å; T449-T477 WeakPolarHBondContact O-CG2 3.2Å; T449-T477 PolarHBondContact O-OG1 3.47Å; A451-T477 PolarHBondContact N-OG1 3.38Å; A451-T477 VanDerWaalsContact N-OG1 3.15Å; S452-T477 PolarHBondContact N-OG1 3.31Å; S452-T477 PolarHBondContact O-N 3.49Å; S452-T477 VanDerWaalsContact O-N 3.16Å; S452-T477 PolarHBondContact O-OG1 3.46Å; Y454-T477 HydrophobicContact CD2-CG2 4.48Å; Y454-T477 HydrophobicContact CE2-CG2 4.25Å | ||
| 478 | S | 64.9 | Low | 81.8 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 29% | 0.287 | 31% | 0.311 | S | S | . | . | trans | -70 | 163 | 178 | -50.4 | 0 | 0 | 0 | 0 | 112.4 | T398 A451 | T398-S478 PolarHBondContact O-N 3.29Å; A451-S478 PolarHBondContact N-O 3.44Å | ||
| 479 | C | 61.4 | Low | 82 | Confident | 33 Ų | 33 | 55.1 Ų | 55.1 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | trans | -73 | -174.6 | 177.2 | -157.7 | 0 | 0 | 0 | 0 | 112.2 | E561 | C479-E561 HydrophobicContact CB-CG 3.9Š| ||
| 480 | S | 66.7 | Low | 82.2 | Confident | 46 Ų | 46 | 54.4 Ų | 54.4 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | trans | -146.7 | 158.1 | 169.9 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | N559 | S480-N559 PolarHBondContact O-ND2 3.01Š| ||
| 481 | V | 69.6 | Low | 82.3 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 38% | 0.376 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -48.5 | 140 | 172.3 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | E561 K563 | V481-E561 HydrophobicContact CG2-CB 4.07Å; V481-E561 WeakPolarHBondContact CG2-O 3.29Å; V481-K563 WeakPolarHBondContact CG1-O 3.47Å |
| 482 | P | 74.5 | Confident | 82.6 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 154.5 | 178.6 | -21.5 | 35.1 | 0 | 0 | 0 | 112.8 | I514 A557 N559 S564 | P482-I514 HydrophobicContact CB-CD1 4.43Å; P482-I514 HydrophobicContact CG-CD1 4.2Å; P482-I514 HydrophobicContact CG-CG1 4.44Å; P482-A557 HydrophobicContact CB-CB 3.93Å; P482-A557 HydrophobicContact CG-CB 4.35Å; P482-N559 HydrophobicContact CG-CB 4.13Å; P482-S564 VanDerWaalsContact O-CB 3.29Å; P482-S564 WeakPolarHBondContact O-CB 3.32Å |
| 483 | L | 80.4 | Confident | 82.8 | Confident | 99 Ų | 99 | 53 Ų | 53 | 52% | 0.518 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 151.6 | 165.8 | -68.2 | -177.6 | 0 | 0 | 0 | 110.4 | P505 S507 | L483-P505 HydrophobicContact CB-CB 4.22Å; L483-P505 VanDerWaalsContact O-CG 3.28Å; L483-P505 WeakPolarHBondContact O-CG 3.45Å; L483-S507 VanDerWaalsContact CD1-OG 3.3Å; L483-S507 WeakPolarHBondContact CD1-OG 3.22Å |
| 484 | P | 82.7 | Confident | 83 | Confident | 61 Ų | 61 | 51.7 Ų | 51.7 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -54 | 131.7 | 171.8 | -26.9 | 37.3 | 0 | 0 | 0 | 111.3 | N565 | P484-N565 WeakPolarHBondContact CB-O 3.37Å; P484-N565 HydrophobicContact CG-CB 3.94Å |
| 485 | P | 87.4 | Confident | 83.4 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 161.8 | 175.2 | 30.2 | -36.2 | 0 | 0 | 0 | 111.6 | P505 V555 A557 S567 | P485-P505 HydrophobicContact CB-CG 4.24Å; P485-V555 HydrophobicContact CB-CG1 4.13Å; P485-V555 HydrophobicContact CG-CB 4.42Å; P485-V555 HydrophobicContact CG-CG1 3.68Å; P485-V555 HydrophobicContact CG-CG2 4.48Å; P485-V555 VanDerWaalsContact CG-O 3.28Å; P485-V555 WeakPolarHBondContact CG-O 3.34Å; P485-A557 HydrophobicContact CG-CB 4.49Å; P485-S567 WeakPolarHBondContact O-CB 3.14Å |
| 486 | F | 89 | Confident | 83.8 | Confident | 114 Ų | 114 | 53.1 Ų | 53.1 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 154 | 169.8 | -69.2 | -75.8 | 0 | 0 | 0 | 111 | Q503 | F486-Q503 HydrophobicContact CD2-CB 4.4Š|
| 487 | P | 90.6 | Very high | 84.5 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 140.7 | 176.9 | -20.6 | 33.7 | 0 | 0 | 0 | 111.1 | E489 Q568 V570 | P487-E489 PolarHBondContact O-N 3.23Å; P487-Q568 HydrophobicContact CG-CB 3.87Å; P487-Q568 HydrophobicContact CG-CG 4.39Å; P487-V570 HydrophobicContact CB-CG1 3.72Å |
| 488 | P | 93.5 | Very high | 85.5 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 132.9 | -175.3 | 29.2 | -33 | 0 | 0 | 0 | 110.5 | M500 K501 W502 L518 F553 V555 V570 | P488-M500 HydrophobicContact CB-CB 4.43Å; P488-M500 HydrophobicContact CB-CE 3.7Å; P488-M500 HydrophobicContact CG-CE 3.67Å; P488-K501 CarbonylContact C-O 3.55Å; P488-K501 WeakPolarHBondContact CA-O 3.43Å; P488-W502 HydrophobicContact CB-CB 4.42Å; P488-W502 HydrophobicContact CB-CE3 4.23Å; P488-L518 HydrophobicContact CB-CD1 4.31Å; P488-L518 HydrophobicContact CG-CD1 4.13Å; P488-F553 HydrophobicContact CG-CB 4.15Å; P488-V555 HydrophobicContact CB-CG1 4.28Å; P488-V555 HydrophobicContact CG-CG1 4.29Å; P488-V570 HydrophobicContact CG-CG2 3.9Å; P488-V570 WeakPolarHBondContact O-CG2 3.28Å |
| 489 | E | 94.3 | Very high | 87 | Confident | 83 Ų | 83 | 48.9 Ų | 48.9 | 39% | 0.388 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 144.7 | 175.9 | -64.1 | 170.2 | -149 | 0 | 0 | 110.1 | P487 E491 M500 K501 Q503 | P487-E489 PolarHBondContact O-N 3.23Å; E489-E491 PolarHBondContact O-N 3.4Å; E489-M500 WeakPolarHBondContact O-CA 3.37Å; E489-K501 HydrophobicContact CB-CG 3.99Å; E489-K501 PolarHBondContact N-O 3.46Å; E489-K501 PolarHBondContact O-N 3.23Å; E489-K501 IonicContact OE2-NZ 2.67Å; E489-K501 PolarHBondContact OE2-NZ 3.39Å; E489-Q503 PolarHBondContact OE1-NE2 3.41Å |
| 490 | L | 95.1 | Very high | 88.6 | Confident | 57 Ų | 57 | 47.3 Ų | 47.3 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 122.4 | 168.4 | 177.9 | 67.8 | 0 | 0 | 0 | 109.5 | A493 L498 M500 F572 | L490-A493 HydrophobicContact CD1-CB 4.3Å; L490-A493 HydrophobicContact CD2-CB 4.1Å; L490-L498 HydrophobicContact CD1-CB 4.35Å; L490-L498 HydrophobicContact CD1-CD2 3.97Å; L490-M500 HydrophobicContact CD1-SD 4.3Å; L490-F572 HydrophobicContact CB-CD1 3.79Å; L490-F572 HydrophobicContact CB-CD2 3.98Å; L490-F572 HydrophobicContact CB-CE1 3.61Å; L490-F572 HydrophobicContact CB-CE2 3.79Å; L490-F572 HydrophobicContact CB-CG 3.99Å; L490-F572 HydrophobicContact CB-CZ 3.61Å; L490-F572 HydrophobicContact CD1-CG 4.48Å; L490-F572 HydrophobicContact CD2-CB 4.44Å; L490-F572 HydrophobicContact CD2-CD1 3.75Å; L490-F572 HydrophobicContact CD2-CE1 4.23Å; L490-F572 HydrophobicContact CD2-CG 4.12Å; L490-F572 HydrophobicContact CG-CD1 4.32Å; L490-F572 HydrophobicContact CG-CG 4.43Å |
| 491 | E | 93.6 | Very high | 89.9 | Confident | 109 Ų | 109 | 48.6 Ų | 48.6 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -48.3 | 173 | -171.9 | 178.8 | 177.5 | 0 | 0 | 111.4 | E489 T499 K501 | E489-E491 PolarHBondContact O-N 3.4Å; E491-T499 HydrophobicContact CB-CG2 4.14Å; E491-T499 PolarHBondContact N-O 3.42Å; E491-K501 HydrophobicContact CB-CD 3.85Å; E491-K501 HydrophobicContact CB-CG 4.15Å; E491-K501 HydrophobicContact CG-CD 4.01Å |
| 492 | L | 93.9 | Very high | 91 | Very high | 89 Ų | 89 | 46.1 Ų | 46.1 | 47% | 0.466 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 119 | -177 | -179 | 62.2 | 0 | 0 | 0 | 111.6 | F497 T499 | L492-F497 HydrophobicContact CD2-CE2 3.91Å; L492-F497 HydrophobicContact CD2-CZ 4.25Å; L492-F497 HydrophobicContact CG-CE2 3.98Å; L492-T499 PolarHBondContact N-O 3.48Å; L492-T499 PolarHBondContact O-N 3.36Å |
| 493 | A | 93.4 | Very high | 91.6 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 11% | 0.107 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 128.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L490 L498 K575 | L490-A493 HydrophobicContact CD1-CB 4.3Å; L490-A493 HydrophobicContact CD2-CB 4.1Å; A493-L498 HydrophobicContact CB-CD2 3.58Å; A493-K575 HydrophobicContact CB-CG 4.34Å; A493-K575 WeakPolarHBondContact O-CD 3.46Å; A493-K575 WeakPolarHBondContact O-CE 3.26Å; A493-K575 PolarHBondContact O-NZ 3.21Å |
| 494 | G | 91.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | trans | -113.2 | -170.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F497 K575 | G494-F497 PolarHBondContact N-O 3.13Å; G494-K575 PolarHBondContact O-N 3.37Å | ||
| 495 | V | 92.2 | Very high | 91.2 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 25% | 0.248 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -73.3 | -42.2 | 179.9 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | R547 D577 | V495-R547 HydrophobicContact CG1-CB 3.61Å; V495-R547 WeakPolarHBondContact O-CA 3.42Å; V495-R547 WeakPolarHBondContact O-CB 3.35Å; V495-R547 PolarHBondContact O-N 3.27Å; V495-D577 HydrophobicContact CG1-CB 3.63Å |
| 496 | T | 91.9 | Very high | 89.9 | Confident | 72 Ų | 72 | 51.6 Ų | 51.6 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -122.5 | 17 | -176.6 | 57 | 0 | 0 | 0 | 0 | 113.2 | R543 N544 L545 | T496-R543 CarbonylContact O-C 3.5Å; T496-N544 PolarHBondContact O-N 3.49Å; T496-L545 VanDerWaalsContact CA-O 3.29Å; T496-L545 WeakPolarHBondContact CA-O 3.34Å; T496-L545 WeakPolarHBondContact CB-O 3.49Å; T496-L545 PolarHBondContact O-N 3.28Å |
| 497 | F | 93.9 | Very high | 88.4 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 27% | 0.268 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 153.7 | -179.3 | 69.8 | -94.8 | 0 | 0 | 0 | 112.8 | L492 G494 T541 V542 R543 | L492-F497 HydrophobicContact CD2-CE2 3.91Å; L492-F497 HydrophobicContact CD2-CZ 4.25Å; L492-F497 HydrophobicContact CG-CE2 3.98Å; G494-F497 PolarHBondContact N-O 3.13Å; F497-T541 HydrophobicContact CB-CG2 3.88Å; F497-T541 HydrophobicContact CD2-CG2 3.66Å; F497-T541 HydrophobicContact CG-CG2 4.03Å; F497-V542 WeakPolarHBondContact CA-O 3.1Å; F497-V542 VanDerWaalsContact CB-O 3.23Å; F497-V542 WeakPolarHBondContact CB-O 3.3Å; F497-R543 HydrophobicContact CB-CG 4.12Å |
| 498 | L | 95.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 126 | 169.2 | -65 | 174.4 | 0 | 0 | 0 | 107.9 | L490 A493 V542 L545 Y551 F553 F572 T574 | L490-L498 HydrophobicContact CD1-CB 4.35Å; L490-L498 HydrophobicContact CD1-CD2 3.97Å; A493-L498 HydrophobicContact CB-CD2 3.58Å; L498-V542 PolarHBondContact N-O 2.76Å; L498-V542 PolarHBondContact O-N 3.24Å; L498-L545 HydrophobicContact CB-CD1 3.95Å; L498-L545 HydrophobicContact CD1-CD1 3.92Å; L498-L545 HydrophobicContact CG-CD1 3.7Å; L498-Y551 HydrophobicContact CD1-CD2 4.27Å; L498-F553 HydrophobicContact CB-CZ 4.23Å; L498-F553 HydrophobicContact CD1-CE2 3.56Å; L498-F553 HydrophobicContact CD1-CZ 3.77Å; L498-F572 HydrophobicContact CD1-CB 4.08Å; L498-T574 HydrophobicContact CD1-CG2 4.23Å; L498-T574 HydrophobicContact CD2-CG2 4.15Å; L498-T574 HydrophobicContact CG-CG2 3.92Å |
| 499 | T | 95.1 | Very high | 85 | Confident | 13 Ų | 13 | 52 Ų | 52 | 8% | 0.08 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 118.9 | 172 | -54.3 | 0 | 0 | 0 | 0 | 109.2 | E491 L492 H540 T541 | E491-T499 HydrophobicContact CB-CG2 4.14Å; E491-T499 PolarHBondContact N-O 3.42Å; L492-T499 PolarHBondContact N-O 3.48Å; L492-T499 PolarHBondContact O-N 3.36Å; T499-H540 WeakPolarHBondContact CA-O 3.23Å; T499-T541 WeakPolarHBondContact OG1-CG2 3.46Å; T499-T541 PolarHBondContact OG1-OG1 3.1Å |
| 500 | M | 95.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.9 | -177.3 | -58.1 | -63.8 | -63.7 | 0 | 0 | 108.8 | P488 E489 L490 W502 L518 S539 H540 F553 V570 F572 | P488-M500 HydrophobicContact CB-CB 4.43Å; P488-M500 HydrophobicContact CB-CE 3.7Å; P488-M500 HydrophobicContact CG-CE 3.67Å; E489-M500 WeakPolarHBondContact O-CA 3.37Å; L490-M500 HydrophobicContact CD1-SD 4.3Å; M500-W502 HydrophobicContact CB-CE3 4.46Å; M500-W502 HydrophobicContact CB-CZ3 4.15Å; M500-W502 WeakPolarHBondContact O-CZ3 3.43Å; M500-L518 HydrophobicContact CB-CD1 4.42Å; M500-L518 HydrophobicContact CB-CD2 4.03Å; M500-L518 HydrophobicContact CG-CD2 4.11Å; M500-S539 CarbonylContact O-C 3.55Å; M500-S539 VanDerWaalsContact O-CA 3.23Å; M500-S539 WeakPolarHBondContact O-CA 3.36Å; M500-H540 PolarHBondContact N-O 3.34Å; M500-H540 PolarHBondContact O-N 3.2Å; M500-F553 HydrophobicContact CE-CB 3.71Å; M500-F553 HydrophobicContact CE-CD1 4.36Å; M500-F553 HydrophobicContact CE-CD2 3.89Å; M500-F553 HydrophobicContact CE-CG 3.73Å; M500-F553 HydrophobicContact CG-CD1 4.04Å; M500-F553 HydrophobicContact CG-CE1 4.1Å; M500-F553 HydrophobicContact CG-CG 4.3Å; M500-F553 HydrophobicContact CG-CZ 4.43Å; M500-F553 HydrophobicContact SD-CD1 4.41Å; M500-F553 HydrophobicContact SD-CD2 3.95Å; M500-F553 HydrophobicContact SD-CE2 4.12Å; M500-F553 HydrophobicContact SD-CG 4.11Å; M500-F553 HydrophobicContact SD-CZ 4.41Å; M500-V570 HydrophobicContact CE-CG2 4.04Å; M500-F572 HydrophobicContact CE-CD2 3.67Å; M500-F572 HydrophobicContact CE-CE2 3.56Å; M500-F572 HydrophobicContact SD-CD2 3.79Å; M500-F572 HydrophobicContact SD-CE2 4.13Å |
| 501 | K | 94.4 | Very high | 81.1 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 32% | 0.317 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.6 | 175.9 | 64 | -175.4 | 167.2 | 88.1 | 0 | 111.1 | P488 E489 E491 L538 | P488-K501 CarbonylContact C-O 3.55Å; P488-K501 WeakPolarHBondContact CA-O 3.43Å; E489-K501 HydrophobicContact CB-CG 3.99Å; E489-K501 PolarHBondContact N-O 3.46Å; E489-K501 PolarHBondContact O-N 3.23Å; E489-K501 IonicContact OE2-NZ 2.67Å; E489-K501 PolarHBondContact OE2-NZ 3.39Å; E491-K501 HydrophobicContact CB-CD 3.85Å; E491-K501 HydrophobicContact CB-CG 4.15Å; E491-K501 HydrophobicContact CG-CD 4.01Å; K501-L538 CarbonylContact C-O 3.59Å; K501-L538 WeakPolarHBondContact CA-O 3.47Å |
| 502 | W | 92.8 | Very high | 79.2 | Confident | 11 Ų | 11 | 61 Ų | 61 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | trans | -140.4 | 169.1 | -179.6 | 51.6 | 88.2 | 0 | 0 | 0 | 111.8 | P488 M500 Y516 L518 Y533 E537 L538 H540 V555 | P488-W502 HydrophobicContact CB-CB 4.42Å; P488-W502 HydrophobicContact CB-CE3 4.23Å; M500-W502 HydrophobicContact CB-CE3 4.46Å; M500-W502 HydrophobicContact CB-CZ3 4.15Å; M500-W502 WeakPolarHBondContact O-CZ3 3.43Å; W502-Y516 AromaticContact CD1-CD1 3.79Å; W502-Y516 AromaticContact CD1-CG 3.9Å; W502-Y516 AromaticContact NE1-CD1 3.59Å; W502-Y516 AromaticContact NE1-CD2 3.47Å; W502-Y516 AromaticContact NE1-CG 3.2Å; W502-L518 HydrophobicContact CE3-CD1 4.31Å; W502-L518 HydrophobicContact CH2-CB 4.15Å; W502-L518 HydrophobicContact CH2-CD2 4.36Å; W502-L518 HydrophobicContact CZ3-CB 4.29Å; W502-L518 HydrophobicContact CZ3-CD1 3.97Å; W502-L518 HydrophobicContact CZ3-CD2 3.98Å; W502-L518 HydrophobicContact CZ3-CG 4.3Å; W502-Y533 AromaticContact CH2-CD1 3.91Å; W502-Y533 HydrophobicContact CH2-CD1 3.91Å; W502-Y533 HydrophobicContact CH2-CE1 4.43Å; W502-Y533 HydrophobicContact CH2-CG 4.49Å; W502-Y533 AromaticContact CZ2-CD1 3.82Å; W502-Y533 HydrophobicContact CZ2-CD1 3.82Å; W502-Y533 HydrophobicContact CZ2-CE1 4.02Å; W502-E537 VanDerWaalsContact CZ2-O 3.23Å; W502-E537 WeakPolarHBondContact CZ2-O 3.25Å; W502-E537 PolarHBondContact NE1-O 3.49Å; W502-L538 PolarHBondContact N-O 3.47Å; W502-H540 HydrophobicContact CH2-CB 3.69Å; W502-H540 HydrophobicContact CZ3-CB 4.17Å; W502-V555 HydrophobicContact CB-CG1 4.03Å; W502-V555 HydrophobicContact CD2-CG2 3.97Å; W502-V555 HydrophobicContact CE3-CG2 4.44Å; W502-V555 HydrophobicContact CG-CG1 4.23Å; W502-V555 HydrophobicContact CG-CG2 4.12Å | ||
| 503 | Q | 86 | Confident | 78.1 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | trans | -115.5 | 142 | -174.1 | -55.9 | -175.3 | 25.8 | 0 | 0 | 110.6 | F486 E489 | F486-Q503 HydrophobicContact CD2-CB 4.4Å; E489-Q503 PolarHBondContact OE1-NE2 3.41Å | ||
| 504 | R | 81.1 | Confident | 77.5 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | trans | -63.9 | 133.2 | 178.8 | 175.2 | 168.4 | -85.8 | 164.9 | -9.2 | 111.1 | S506 E511 Y516 L538 | R504-S506 PolarHBondContact O-N 3.3Å; R504-E511 PolarHBondContact NH2-O 3.1Å; R504-Y516 WeakPolarHBondContact CA-OH 3.44Å; R504-Y516 WeakPolarHBondContact CB-OH 3.46Å; R504-L538 HydrophobicContact CB-CD2 4.5Å | ||
| 505 | P | 75.1 | Confident | 77.4 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.032 | 34% | 0.339 | C | S | . | . | trans | -59.4 | 127.9 | 176.8 | -23.1 | 32.1 | 0 | 0 | 0 | 112.3 | L483 P485 S507 S508 A557 | L483-P505 HydrophobicContact CB-CB 4.22Å; L483-P505 VanDerWaalsContact O-CG 3.28Å; L483-P505 WeakPolarHBondContact O-CG 3.45Å; P485-P505 HydrophobicContact CB-CG 4.24Å; P505-S507 PolarHBondContact O-N 2.8Å; P505-S508 PolarHBondContact O-N 2.93Å; P505-S508 PolarHBondContact O-OG 3.31Å; P505-S508 VanDerWaalsContact O-OG 3.12Å; P505-A557 HydrophobicContact CG-CB 4.28Å | ||
| 506 | S | 60.5 | Low | 77.4 | Confident | 113 Ų | 113 | 63.2 Ų | 63.2 | 79% | 0.79 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 3.7 | -165.2 | -40.1 | 0 | 0 | 0 | 0 | 117.1 | R504 | R504-S506 PolarHBondContact O-N 3.3Š|
| 507 | S | 57.6 | Low | 77.5 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 54% | 0.538 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 26.9 | -175.6 | 75 | 0 | 0 | 0 | 0 | 113 | L483 P505 | L483-S507 VanDerWaalsContact CD1-OG 3.3Å; L483-S507 WeakPolarHBondContact CD1-OG 3.22Å; P505-S507 PolarHBondContact O-N 2.8Å |
| 508 | S | 54.6 | Low | 77.6 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | trans | -88.1 | 129.1 | -177.4 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | P505 | P505-S508 PolarHBondContact O-N 2.93Å; P505-S508 PolarHBondContact O-OG 3.31Å; P505-S508 VanDerWaalsContact O-OG 3.12Å | ||
| 509 | P | 56.5 | Low | 77.5 | Confident | 52 Ų | 52 | 58.9 Ų | 58.9 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | trans | -83.4 | 125.5 | 173.4 | 32.2 | -31.5 | 0 | 0 | 0 | 111.7 | A451 | A451-P509 HydrophobicContact CB-CB 3.91Å; A451-P509 HydrophobicContact CB-CG 3.9Å | ||
| 510 | K | 55.8 | Low | 77.4 | Confident | 169 Ų | 169 | 59.9 Ų | 59.9 | 74% | 0.735 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 61.1 | 167.5 | -178.8 | -74 | -165.6 | 170.3 | -165 | 0 | 115.6 | ||
| 511 | E | 51.8 | Low | 77.3 | Confident | 142 Ų | 142 | 61.9 Ų | 61.9 | 66% | 0.664 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -95.8 | -19.2 | -161.8 | -135.5 | 164.2 | 173.3 | 0 | 0 | 113.9 | R504 | R504-E511 PolarHBondContact NH2-O 3.1Š|
| 512 | D | 55.4 | Low | 77.1 | Confident | 127 Ų | 127 | 60.4 Ų | 60.4 | 68% | 0.679 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -109.3 | -8.6 | -161.5 | -41.8 | -66.6 | 0 | 0 | 0 | 114.8 | ||
| 513 | D | 70.1 | Confident | 76.5 | Confident | 101 Ų | 101 | 63.6 Ų | 63.6 | 54% | 0.54 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -108.1 | 16.6 | -168.5 | -76.6 | -50.3 | 0 | 0 | 0 | 114.4 | N559 | D513-N559 WeakPolarHBondContact O-CB 3.31Š|
| 514 | I | 81.3 | Confident | 76 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | trans | -129.6 | 127.3 | -178.6 | -62.2 | -174 | 0 | 0 | 0 | 112.5 | P482 Y516 A557 Y558 N559 | P482-I514 HydrophobicContact CB-CD1 4.43Å; P482-I514 HydrophobicContact CG-CD1 4.2Å; P482-I514 HydrophobicContact CG-CG1 4.44Å; I514-Y516 HydrophobicContact CG2-CE1 4.24Å; I514-Y516 HydrophobicContact CG2-CE2 4.5Å; I514-A557 HydrophobicContact CG2-CB 4.22Å; I514-Y558 WeakPolarHBondContact CA-O 3.34Å; I514-N559 HydrophobicContact CG1-CB 4.35Å | ||
| 515 | Y | 88.2 | Confident | 76 | Confident | 93 Ų | 93 | 60.6 Ų | 60.6 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 163.3 | 178.6 | -57.8 | -92.9 | 0 | 0 | 0 | 110.7 | G535 D536 A557 Y558 | Y515-G535 CarbonylContact C-O 3.53Å; Y515-G535 WeakPolarHBondContact CA-O 3.45Å; Y515-D536 HydrophobicContact CD1-CB 4.04Å; Y515-D536 HydrophobicContact CE1-CB 4.23Å; Y515-A557 CarbonylContact O-C 3.48Å; Y515-A557 VanDerWaalsContact O-CA 3.29Å; Y515-A557 WeakPolarHBondContact O-CA 3.2Å; Y515-Y558 HydrophobicContact CD2-CD2 4.49Å; Y515-Y558 AromaticContact CD2-CE2 3.92Å; Y515-Y558 HydrophobicContact CD2-CE2 3.92Å; Y515-Y558 HydrophobicContact CG-CE1 4.34Å; Y515-Y558 HydrophobicContact CG-CE2 4.07Å; Y515-Y558 AromaticContact CG-CZ 3.82Å; Y515-Y558 PolarHBondContact N-O 2.62Å; Y515-Y558 PolarHBondContact O-N 2.76Å |
| 516 | Y | 92.5 | Very high | 76.1 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137 | -175.3 | -54.8 | -81.7 | 0 | 0 | 0 | 111.4 | W502 R504 I514 D534 G535 L538 A556 A557 | W502-Y516 AromaticContact CD1-CD1 3.79Å; W502-Y516 AromaticContact CD1-CG 3.9Å; W502-Y516 AromaticContact NE1-CD1 3.59Å; W502-Y516 AromaticContact NE1-CD2 3.47Å; W502-Y516 AromaticContact NE1-CG 3.2Å; R504-Y516 WeakPolarHBondContact CA-OH 3.44Å; R504-Y516 WeakPolarHBondContact CB-OH 3.46Å; I514-Y516 HydrophobicContact CG2-CE1 4.24Å; I514-Y516 HydrophobicContact CG2-CE2 4.5Å; Y516-D534 WeakPolarHBondContact O-CA 3.43Å; Y516-G535 PolarHBondContact N-O 3.3Å; Y516-G535 PolarHBondContact O-N 3.46Å; Y516-G535 VanDerWaalsContact O-N 3.11Å; Y516-L538 HydrophobicContact CD2-CD2 4.32Å; Y516-L538 HydrophobicContact CE1-CD2 4.44Å; Y516-L538 HydrophobicContact CE2-CD2 3.56Å; Y516-A556 CarbonylContact C-O 3.4Å; Y516-A556 VanDerWaalsContact CA-O 3.32Å; Y516-A556 WeakPolarHBondContact CA-O 3.42Å; Y516-A557 HydrophobicContact CD1-CB 3.92Å; Y516-A557 HydrophobicContact CE1-CB 3.94Å |
| 517 | I | 94.2 | Very high | 77.1 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 10% | 0.097 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 114.9 | 172 | -59.9 | 168.4 | 0 | 0 | 0 | 108 | E519 P531 Y533 D534 V555 A556 Y558 K563 | I517-E519 HydrophobicContact CG2-CG 3.83Å; I517-P531 HydrophobicContact CG2-CB 4.23Å; I517-Y533 WeakPolarHBondContact CA-O 3.42Å; I517-D534 HydrophobicContact CG1-CB 4.43Å; I517-D534 WeakPolarHBondContact CG1-OD1 3.41Å; I517-V555 WeakPolarHBondContact O-CA 3.34Å; I517-A556 PolarHBondContact N-O 3.18Å; I517-A556 PolarHBondContact O-N 2.61Å; I517-Y558 HydrophobicContact CD1-CD1 3.89Å; I517-Y558 HydrophobicContact CD1-CE1 3.92Å; I517-Y558 HydrophobicContact CG1-CD1 3.98Å; I517-Y558 HydrophobicContact CG1-CE1 3.81Å; I517-K563 HydrophobicContact CD1-CD 3.99Å |
| 518 | L | 95.3 | Very high | 78.5 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 116.9 | 170.8 | -175.3 | 71.1 | 0 | 0 | 0 | 108.8 | P488 M500 W502 S532 Y533 V542 F553 V555 | P488-L518 HydrophobicContact CB-CD1 4.31Å; P488-L518 HydrophobicContact CG-CD1 4.13Å; M500-L518 HydrophobicContact CB-CD1 4.42Å; M500-L518 HydrophobicContact CB-CD2 4.03Å; M500-L518 HydrophobicContact CG-CD2 4.11Å; W502-L518 HydrophobicContact CE3-CD1 4.31Å; W502-L518 HydrophobicContact CH2-CB 4.15Å; W502-L518 HydrophobicContact CH2-CD2 4.36Å; W502-L518 HydrophobicContact CZ3-CB 4.29Å; W502-L518 HydrophobicContact CZ3-CD1 3.97Å; W502-L518 HydrophobicContact CZ3-CD2 3.98Å; W502-L518 HydrophobicContact CZ3-CG 4.3Å; L518-S532 PolarHBondContact O-N 2.81Å; L518-S532 PolarHBondContact O-OG 3.18Å; L518-Y533 PolarHBondContact N-O 3.04Å; L518-Y533 VanDerWaalsContact N-O 3.08Å; L518-Y533 PolarHBondContact O-N 2.86Å; L518-V542 HydrophobicContact CD2-CG2 3.86Å; L518-F553 HydrophobicContact CD1-CD1 4.32Å; L518-F553 HydrophobicContact CD2-CD1 4.23Å; L518-F553 HydrophobicContact CG-CD1 4.29Å; L518-V555 HydrophobicContact CD1-CB 4.14Å |
| 519 | E | 93.9 | Very high | 80.3 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134 | 178.9 | -56.6 | 175.8 | -179.3 | 0 | 0 | 109.9 | I517 F529 Q530 F553 R554 K563 | I517-E519 HydrophobicContact CG2-CG 3.83Å; E519-F529 HydrophobicContact CB-CB 4.16Å; E519-F529 HydrophobicContact CB-CD1 4.22Å; E519-Q530 CarbonylContact C-O 3.48Å; E519-Q530 VanDerWaalsContact CA-O 3.31Å; E519-Q530 WeakPolarHBondContact CA-O 3.34Å; E519-F553 WeakPolarHBondContact O-CA 3.44Å; E519-R554 HydrophobicContact CB-CG 4Å; E519-R554 PolarHBondContact N-O 2.66Å; E519-R554 PolarHBondContact O-N 2.83Å; E519-R554 IonicContact OE2-CZ 2.91Å; E519-R554 IonicContact OE2-NE 2.69Å; E519-R554 PolarHBondContact OE2-NE 2.8Å; E519-R554 IonicContact OE2-NH2 3.59Å; E519-R554 PolarHBondContact OE2-NH2 2.86Å; E519-K563 IonicContact OE1-NZ 2.7Å; E519-K563 PolarHBondContact OE1-NZ 3.4Å |
| 520 | M | 94.3 | Very high | 82 | Confident | 35 Ų | 35 | 67.4 Ų | 67.4 | 17% | 0.172 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143 | -175.2 | -178.9 | -175.7 | 68.2 | 0 | 0 | 111.4 | F529 Q530 V542 L545 Y551 K552 F553 | M520-F529 WeakPolarHBondContact O-CA 2.98Å; M520-Q530 PolarHBondContact N-O 2.66Å; M520-Q530 PolarHBondContact O-N 2.8Å; M520-V542 HydrophobicContact CE-CG1 3.94Å; M520-V542 HydrophobicContact SD-CG1 3.85Å; M520-L545 HydrophobicContact CE-CD2 3.74Å; M520-L545 HydrophobicContact SD-CD2 3.63Å; M520-Y551 HydrophobicContact CE-CD1 4.34Å; M520-Y551 HydrophobicContact CG-CD1 4.14Å; M520-Y551 HydrophobicContact SD-CD1 3.7Å; M520-Y551 HydrophobicContact SD-CE1 4.38Å; M520-Y551 HydrophobicContact SD-CG 4.25Å; M520-K552 CarbonylContact C-O 3.58Å; M520-K552 VanDerWaalsContact CA-O 3.29Å; M520-K552 WeakPolarHBondContact CA-O 3.3Å; M520-F553 HydrophobicContact CB-CD1 3.88Å; M520-F553 HydrophobicContact CB-CE1 3.77Å; M520-F553 HydrophobicContact CG-CD1 3.92Å; M520-F553 HydrophobicContact CG-CE1 3.46Å; M520-F553 VanDerWaalsContact CG-CE1 3.46Å; M520-F553 HydrophobicContact CG-CZ 3.82Å; M520-F553 HydrophobicContact SD-CE1 3.52Å; M520-F553 VanDerWaalsContact SD-CE1 3.52Å; M520-F553 HydrophobicContact SD-CZ 3.63Å |
| 521 | E | 93.2 | Very high | 83.6 | Confident | 41 Ų | 41 | 63.7 Ų | 63.7 | 19% | 0.192 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.7 | 168.8 | 178.8 | 170.6 | -160.1 | 0 | 0 | 110.6 | G528 F529 Y551 K552 | E521-G528 WeakPolarHBondContact OE1-CA 3.36Å; E521-F529 HydrophobicContact CB-CD1 4.21Å; E521-F529 HydrophobicContact CB-CD2 4.34Å; E521-F529 HydrophobicContact CB-CE1 4.28Å; E521-F529 HydrophobicContact CB-CE2 4.41Å; E521-F529 HydrophobicContact CB-CG 4.24Å; E521-F529 HydrophobicContact CB-CZ 4.37Å; E521-F529 WeakPolarHBondContact OE2-CE2 3.31Å; E521-Y551 WeakPolarHBondContact O-CA 3.46Å; E521-K552 HydrophobicContact CB-CB 4.37Å; E521-K552 PolarHBondContact N-O 2.9Å; E521-K552 PolarHBondContact O-N 2.89Å |
| 522 | E | 88.4 | Confident | 85.5 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.4 | 167 | -177.2 | 173.6 | 95.5 | 0 | 0 | 109.2 | G524 S525 R546 T549 Y551 | E522-G524 PolarHBondContact O-N 2.94Å; E522-S525 VanDerWaalsContact O-CB 3.24Å; E522-S525 WeakPolarHBondContact O-CB 3.49Å; E522-S525 PolarHBondContact O-N 2.99Å; E522-S525 PolarHBondContact O-OG 3.41Å; E522-R546 IonicContact OE1-CZ 3.16Å; E522-R546 IonicContact OE1-NE 3.27Å; E522-R546 PolarHBondContact OE1-NE 2.88Å; E522-R546 IonicContact OE1-NH2 2.88Å; E522-R546 PolarHBondContact OE1-NH2 3.26Å; E522-R546 IonicContact OE2-CZ 3.16Å; E522-R546 IonicContact OE2-NE 2.77Å; E522-R546 PolarHBondContact OE2-NE 2.94Å; E522-R546 IonicContact OE2-NH2 2.7Å; E522-T549 HydrophobicContact CG-CG2 4.31Å; E522-Y551 HydrophobicContact CB-CD1 3.99Å; E522-Y551 HydrophobicContact CB-CE1 3.56Å; E522-Y551 HydrophobicContact CG-CD1 4.31Å; E522-Y551 HydrophobicContact CG-CE1 3.6Å; E522-Y551 WeakPolarHBondContact OE2-CE1 3.27Å; E522-Y551 PolarHBondContact OE2-OH 2.76Å |
| 523 | E | 81.1 | Confident | 87.4 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 124.7 | -175.1 | -176.5 | 167.2 | -113.4 | 0 | 0 | 111.8 | S525 K550 K552 | E523-S525 VanDerWaalsContact C-N 3.34Å; E523-K550 HydrophobicContact CB-CB 4.2Å; E523-K550 PolarHBondContact N-O 2.98Å; E523-K550 IonicContact OE1-NZ 3.78Å; E523-K550 IonicContact OE2-NZ 3.37Å; E523-K550 PolarHBondContact OE2-NZ 2.92Å; E523-K552 WeakPolarHBondContact OE1-CE 3.47Å; E523-K552 IonicContact OE1-NZ 2.79Å; E523-K552 PolarHBondContact OE1-NZ 3.07Å |
| 524 | G | 74.6 | Confident | 88.5 | Confident | 81 Ų | 81 | 53.6 Ų | 53.6 | 84% | 0.835 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -1.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E522 | E522-G524 PolarHBondContact O-N 2.94Š|
| 525 | S | 81.2 | Confident | 88.9 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | trans | -72 | -26.5 | 179.7 | 67.3 | 0 | 0 | 0 | 0 | 114.4 | E522 E523 Y527 | E522-S525 VanDerWaalsContact O-CB 3.24Å; E522-S525 WeakPolarHBondContact O-CB 3.49Å; E522-S525 PolarHBondContact O-N 2.99Å; E522-S525 PolarHBondContact O-OG 3.41Å; E523-S525 VanDerWaalsContact C-N 3.34Å; S525-Y527 VanDerWaalsContact C-N 3.26Å; S525-Y527 WeakPolarHBondContact O-CD2 3.31Å; S525-Y527 WeakPolarHBondContact O-CE2 3.47Å; S525-Y527 PolarHBondContact O-N 2.82Å | ||
| 526 | G | 78.1 | Confident | 88.9 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 75% | 0.753 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 78.1 | -2.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 527 | Y | 81.8 | Confident | 88.7 | Confident | 184 Ų | 184 | 59.6 Ų | 59.6 | 72% | 0.722 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -87.7 | -4.3 | 178.9 | -61.9 | -77.3 | 0 | 0 | 0 | 114.1 | S525 Q530 | S525-Y527 VanDerWaalsContact C-N 3.26Å; S525-Y527 WeakPolarHBondContact O-CD2 3.31Å; S525-Y527 WeakPolarHBondContact O-CE2 3.47Å; S525-Y527 PolarHBondContact O-N 2.82Å; Y527-Q530 PolarHBondContact O-NE2 2.9Å |
| 528 | G | 87.3 | Confident | 88.6 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 25% | 0.247 | 36% | 0.357 | C | S | . | . | trans | 67.5 | -166 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E521 Q530 | E521-G528 WeakPolarHBondContact OE1-CA 3.36Å; G528-Q530 PolarHBondContact O-N 3.33Å | ||
| 529 | F | 92 | Very high | 88.5 | Confident | 42 Ų | 42 | 64.8 Ų | 64.8 | 18% | 0.184 | 38% | 0.376 | C | S | . | . | trans | -69.2 | 119.4 | 175.8 | -75.1 | -88.8 | 0 | 0 | 0 | 111.7 | E519 M520 E521 K552 R554 V569 | E519-F529 HydrophobicContact CB-CB 4.16Å; E519-F529 HydrophobicContact CB-CD1 4.22Å; M520-F529 WeakPolarHBondContact O-CA 2.98Å; E521-F529 HydrophobicContact CB-CD1 4.21Å; E521-F529 HydrophobicContact CB-CD2 4.34Å; E521-F529 HydrophobicContact CB-CE1 4.28Å; E521-F529 HydrophobicContact CB-CE2 4.41Å; E521-F529 HydrophobicContact CB-CG 4.24Å; E521-F529 HydrophobicContact CB-CZ 4.37Å; E521-F529 WeakPolarHBondContact OE2-CE2 3.31Å; F529-K552 HydrophobicContact CE1-CB 4.17Å; F529-K552 HydrophobicContact CZ-CB 3.97Å; F529-R554 HydrophobicContact CD1-CG 3.81Å; F529-R554 VanDerWaalsContact CD2-NH1 3.3Å; F529-R554 HydrophobicContact CE1-CB 4.43Å; F529-R554 HydrophobicContact CE1-CG 3.9Å; F529-V569 HydrophobicContact CE1-CG1 4.37Å; F529-V569 HydrophobicContact CE1-CG2 4.25Å; F529-V569 HydrophobicContact CE2-CG2 4.2Å; F529-V569 HydrophobicContact CZ-CB 4.35Å; F529-V569 HydrophobicContact CZ-CG1 3.76Å; F529-V569 HydrophobicContact CZ-CG2 3.57Å | ||
| 530 | Q | 91.1 | Very high | 88.5 | Confident | 105 Ų | 105 | 65.7 Ų | 65.7 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 146.5 | 176.4 | -63.3 | -61.4 | -36 | 0 | 0 | 110.4 | E519 M520 Y527 G528 S532 | E519-Q530 CarbonylContact C-O 3.48Å; E519-Q530 VanDerWaalsContact CA-O 3.31Å; E519-Q530 WeakPolarHBondContact CA-O 3.34Å; M520-Q530 PolarHBondContact N-O 2.66Å; M520-Q530 PolarHBondContact O-N 2.8Å; Y527-Q530 PolarHBondContact O-NE2 2.9Å; G528-Q530 PolarHBondContact O-N 3.33Å; Q530-S532 PolarHBondContact O-N 2.86Å |
| 531 | P | 90.9 | Very high | 88.6 | Confident | 90 Ų | 90 | 65.5 Ų | 65.5 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 133.8 | 176.3 | 28.4 | -34.1 | 0 | 0 | 0 | 110.9 | I517 | I517-P531 HydrophobicContact CG2-CB 4.23Å |
| 532 | S | 91 | Very high | 88.7 | Confident | 35 Ų | 35 | 64 Ų | 64 | 25% | 0.245 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | -24.4 | 179.5 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | L518 Q530 | L518-S532 PolarHBondContact O-N 2.81Å; L518-S532 PolarHBondContact O-OG 3.18Å; Q530-S532 PolarHBondContact O-N 2.86Å |
| 533 | Y | 94.7 | Very high | 88.9 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 10% | 0.102 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 149.4 | 170.2 | -179.7 | -107.4 | 0 | 0 | 0 | 109.7 | W502 I517 L518 G535 D536 E537 H540 | W502-Y533 AromaticContact CH2-CD1 3.91Å; W502-Y533 HydrophobicContact CH2-CD1 3.91Å; W502-Y533 HydrophobicContact CH2-CE1 4.43Å; W502-Y533 HydrophobicContact CH2-CG 4.49Å; W502-Y533 AromaticContact CZ2-CD1 3.82Å; W502-Y533 HydrophobicContact CZ2-CD1 3.82Å; W502-Y533 HydrophobicContact CZ2-CE1 4.02Å; I517-Y533 WeakPolarHBondContact CA-O 3.42Å; L518-Y533 PolarHBondContact N-O 3.04Å; L518-Y533 VanDerWaalsContact N-O 3.08Å; L518-Y533 PolarHBondContact O-N 2.86Å; Y533-G535 WeakPolarHBondContact OH-CA 3.47Å; Y533-D536 PolarHBondContact OH-N 2.85Å; Y533-E537 HydrophobicContact CE1-CB 4.39Å; Y533-E537 WeakPolarHBondContact CE2-OE2 3.42Å; Y533-E537 VanDerWaalsContact CZ-OE2 3.3Å; Y533-E537 WeakPolarHBondContact OH-CB 3.06Å; Y533-E537 WeakPolarHBondContact OH-CG 3.36Å; Y533-E537 PolarHBondContact OH-N 3.35Å; Y533-E537 PolarHBondContact OH-OE2 3.25Å; Y533-H540 HydrophobicContact CD2-CB 4.11Å; Y533-H540 AromaticContact CD2-CE1 3.63Å; Y533-H540 AromaticContact CD2-CG 3.61Å; Y533-H540 AromaticContact CD2-ND1 3.12Å; Y533-H540 WeakPolarHBondContact CD2-ND1 3.27Å; Y533-H540 AromaticContact CE2-ND1 3.7Å; Y533-H540 HydrophobicContact CG-CB 3.99Å; Y533-H540 AromaticContact CG-CG 3.79Å; Y533-H540 AromaticContact CG-ND1 3.8Å |
| 534 | D | 93 | Very high | 89.3 | Confident | 97 Ų | 97 | 73.4 Ų | 73.4 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 107.9 | 173.2 | -163.3 | -5.3 | 0 | 0 | 0 | 107.7 | Y516 I517 Y558 | Y516-D534 WeakPolarHBondContact O-CA 3.43Å; I517-D534 HydrophobicContact CG1-CB 4.43Å; I517-D534 WeakPolarHBondContact CG1-OD1 3.41Å; D534-Y558 VanDerWaalsContact OD1-CE1 3.26Å; D534-Y558 WeakPolarHBondContact OD1-CE1 3.42Å; D534-Y558 PolarHBondContact OD1-OH 3.02Å |
| 535 | G | 89.7 | Confident | 90.2 | Very high | 11 Ų | 11 | 70 Ų | 70 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | -175.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y515 Y516 Y533 | Y515-G535 CarbonylContact C-O 3.53Å; Y515-G535 WeakPolarHBondContact CA-O 3.45Å; Y516-G535 PolarHBondContact N-O 3.3Å; Y516-G535 PolarHBondContact O-N 3.46Å; Y516-G535 VanDerWaalsContact O-N 3.11Å; Y533-G535 WeakPolarHBondContact OH-CA 3.47Å |
| 536 | D | 87.9 | Confident | 90.6 | Very high | 106 Ų | 106 | 75.8 Ų | 75.8 | 57% | 0.567 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -93 | -11 | -171.9 | 58.8 | -32.6 | 0 | 0 | 0 | 115.1 | Y515 Y533 | Y515-D536 HydrophobicContact CD1-CB 4.04Å; Y515-D536 HydrophobicContact CE1-CB 4.23Å; Y533-D536 PolarHBondContact OH-N 2.85Å |
| 537 | E | 89.6 | Confident | 91.1 | Very high | 106 Ų | 106 | 76.1 Ų | 76.1 | 50% | 0.495 | 37% | 0.374 | S | S | . | . | trans | -64.9 | 150.1 | 179.6 | -58.1 | 166.7 | 129.1 | 0 | 0 | 112.1 | W502 Y533 | W502-E537 VanDerWaalsContact CZ2-O 3.23Å; W502-E537 WeakPolarHBondContact CZ2-O 3.25Å; W502-E537 PolarHBondContact NE1-O 3.49Å; Y533-E537 HydrophobicContact CE1-CB 4.39Å; Y533-E537 WeakPolarHBondContact CE2-OE2 3.42Å; Y533-E537 VanDerWaalsContact CZ-OE2 3.3Å; Y533-E537 WeakPolarHBondContact OH-CB 3.06Å; Y533-E537 WeakPolarHBondContact OH-CG 3.36Å; Y533-E537 PolarHBondContact OH-N 3.35Å; Y533-E537 PolarHBondContact OH-OE2 3.25Å | ||
| 538 | L | 91 | Very high | 91.4 | Very high | 74 Ų | 74 | 70 Ų | 70 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -94.2 | 2.2 | 176 | -69.7 | 176.2 | 0 | 0 | 0 | 113.5 | K501 W502 R504 Y516 | K501-L538 CarbonylContact C-O 3.59Å; K501-L538 WeakPolarHBondContact CA-O 3.47Å; W502-L538 PolarHBondContact N-O 3.47Å; R504-L538 HydrophobicContact CB-CD2 4.5Å; Y516-L538 HydrophobicContact CD2-CD2 4.32Å; Y516-L538 HydrophobicContact CE1-CD2 4.44Å; Y516-L538 HydrophobicContact CE2-CD2 3.56Å |
| 539 | S | 93.6 | Very high | 91.5 | Very high | 55 Ų | 55 | 70.5 Ų | 70.5 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 144 | 175.6 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | M500 | M500-S539 CarbonylContact O-C 3.55Å; M500-S539 VanDerWaalsContact O-CA 3.23Å; M500-S539 WeakPolarHBondContact O-CA 3.36Å |
| 540 | H | 94.8 | Very high | 91.5 | Very high | 41 Ų | 41 | 72.5 Ų | 72.5 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 137.3 | 177.5 | -174.1 | 79.2 | 0 | 0 | 0 | 112.7 | T499 M500 W502 Y533 | T499-H540 WeakPolarHBondContact CA-O 3.23Å; M500-H540 PolarHBondContact N-O 3.34Å; M500-H540 PolarHBondContact O-N 3.2Å; W502-H540 HydrophobicContact CH2-CB 3.69Å; W502-H540 HydrophobicContact CZ3-CB 4.17Å; Y533-H540 HydrophobicContact CD2-CB 4.11Å; Y533-H540 AromaticContact CD2-CE1 3.63Å; Y533-H540 AromaticContact CD2-CG 3.61Å; Y533-H540 AromaticContact CD2-ND1 3.12Å; Y533-H540 WeakPolarHBondContact CD2-ND1 3.27Å; Y533-H540 AromaticContact CE2-ND1 3.7Å; Y533-H540 HydrophobicContact CG-CB 3.99Å; Y533-H540 AromaticContact CG-CG 3.79Å; Y533-H540 AromaticContact CG-ND1 3.8Å |
| 541 | T | 96 | Very high | 91.6 | Very high | 30 Ų | 30 | 67.6 Ų | 67.6 | 18% | 0.184 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 99.9 | 173.3 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | F497 T499 R543 | F497-T541 HydrophobicContact CB-CG2 3.88Å; F497-T541 HydrophobicContact CD2-CG2 3.66Å; F497-T541 HydrophobicContact CG-CG2 4.03Å; T499-T541 WeakPolarHBondContact OG1-CG2 3.46Å; T499-T541 PolarHBondContact OG1-OG1 3.1Å; T541-R543 HydrophobicContact CG2-CG 3.91Å; T541-R543 PolarHBondContact O-N 3.39Å; T541-R543 PolarHBondContact O-NH1 2.79Å |
| 542 | V | 94.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 125.3 | 169.6 | -170.3 | 0 | 0 | 0 | 0 | 108.5 | F497 L498 L518 M520 L545 F553 | F497-V542 WeakPolarHBondContact CA-O 3.1Å; F497-V542 VanDerWaalsContact CB-O 3.23Å; F497-V542 WeakPolarHBondContact CB-O 3.3Å; L498-V542 PolarHBondContact N-O 2.76Å; L498-V542 PolarHBondContact O-N 3.24Å; L518-V542 HydrophobicContact CD2-CG2 3.86Å; M520-V542 HydrophobicContact CE-CG1 3.94Å; M520-V542 HydrophobicContact SD-CG1 3.85Å; V542-L545 HydrophobicContact CG1-CD2 3.87Å; V542-L545 HydrophobicContact CG1-CG 4.42Å; V542-F553 HydrophobicContact CG2-CE1 4.1Å |
| 543 | R | 92.7 | Very high | 92 | Very high | 162 Ų | 162 | 63.3 Ų | 63.3 | 61% | 0.611 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 172.9 | -174.5 | -63.8 | 178.8 | 179.7 | 89.5 | -5.4 | 111.5 | T496 F497 T541 L545 | T496-R543 CarbonylContact O-C 3.5Å; F497-R543 HydrophobicContact CB-CG 4.12Å; T541-R543 HydrophobicContact CG2-CG 3.91Å; T541-R543 PolarHBondContact O-N 3.39Å; T541-R543 PolarHBondContact O-NH1 2.79Å; R543-L545 PolarHBondContact O-N 2.96Å |
| 544 | N | 91.3 | Very high | 92 | Very high | 155 Ų | 155 | 65.1 Ų | 65.1 | 83% | 0.829 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 62.6 | 24.6 | -177.8 | -52.1 | -34.4 | 0 | 0 | 0 | 113.9 | T496 | T496-N544 PolarHBondContact O-N 3.49Š|
| 545 | L | 91.8 | Very high | 92.1 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 154.2 | 171.8 | -55.3 | -176.6 | 0 | 0 | 0 | 110.4 | T496 L498 M520 V542 R543 Y551 T574 | T496-L545 VanDerWaalsContact CA-O 3.29Å; T496-L545 WeakPolarHBondContact CA-O 3.34Å; T496-L545 WeakPolarHBondContact CB-O 3.49Å; T496-L545 PolarHBondContact O-N 3.28Å; L498-L545 HydrophobicContact CB-CD1 3.95Å; L498-L545 HydrophobicContact CD1-CD1 3.92Å; L498-L545 HydrophobicContact CG-CD1 3.7Å; M520-L545 HydrophobicContact CE-CD2 3.74Å; M520-L545 HydrophobicContact SD-CD2 3.63Å; V542-L545 HydrophobicContact CG1-CD2 3.87Å; V542-L545 HydrophobicContact CG1-CG 4.42Å; R543-L545 PolarHBondContact O-N 2.96Å; L545-Y551 HydrophobicContact CB-CD2 4.49Å; L545-Y551 HydrophobicContact CB-CE2 3.8Å; L545-Y551 HydrophobicContact CD1-CD2 4.17Å; L545-Y551 HydrophobicContact CD1-CE2 4.31Å; L545-Y551 HydrophobicContact CD1-CG 4.5Å; L545-Y551 HydrophobicContact CD2-CD1 4.18Å; L545-Y551 HydrophobicContact CD2-CE1 3.87Å; L545-Y551 HydrophobicContact CD2-CE2 4.31Å; L545-Y551 HydrophobicContact CG-CE2 4.37Å; L545-T574 HydrophobicContact CB-CG2 3.81Å; L545-T574 HydrophobicContact CD1-CG2 3.94Å |
| 546 | R | 89.3 | Confident | 92.2 | Very high | 155 Ų | 155 | 60 Ų | 60 | 59% | 0.585 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 144 | 169.9 | -54.7 | 179.6 | -155 | -127.2 | 10.7 | 109.2 | E522 T549 Y551 T574 | E522-R546 IonicContact OE1-CZ 3.16Å; E522-R546 IonicContact OE1-NE 3.27Å; E522-R546 PolarHBondContact OE1-NE 2.88Å; E522-R546 IonicContact OE1-NH2 2.88Å; E522-R546 PolarHBondContact OE1-NH2 3.26Å; E522-R546 IonicContact OE2-CZ 3.16Å; E522-R546 IonicContact OE2-NE 2.77Å; E522-R546 PolarHBondContact OE2-NE 2.94Å; E522-R546 IonicContact OE2-NH2 2.7Å; R546-T549 HydrophobicContact CB-CG2 4.22Å; R546-T549 WeakPolarHBondContact CB-OG1 3.45Å; R546-Y551 WeakPolarHBondContact CB-OH 3.33Å; R546-Y551 WeakPolarHBondContact CG-OH 3.44Å; R546-Y551 PolarHBondContact N-OH 3.01Å; R546-T574 WeakPolarHBondContact O-CB 3.37Å; R546-T574 WeakPolarHBondContact O-CG2 3.5Å; R546-T574 PolarHBondContact O-OG1 2.86Å |
| 547 | R | 89.1 | Confident | 92.2 | Very high | 79 Ų | 79 | 54.9 Ų | 54.9 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 154.8 | 172.9 | 70.8 | -165.8 | 174.2 | -168.4 | -6.6 | 112.3 | V495 T549 T574 D605 G607 | V495-R547 HydrophobicContact CG1-CB 3.61Å; V495-R547 WeakPolarHBondContact O-CA 3.42Å; V495-R547 WeakPolarHBondContact O-CB 3.35Å; V495-R547 PolarHBondContact O-N 3.27Å; R547-T549 PolarHBondContact O-N 3.36Å; R547-T549 PolarHBondContact O-OG1 3.43Å; R547-T574 VanDerWaalsContact C-OG1 3.27Å; R547-T574 WeakPolarHBondContact CA-OG1 3.46Å; R547-D605 IonicContact CZ-OD1 3.79Å; R547-D605 IonicContact CZ-OD2 2.61Å; R547-D605 IonicContact NH1-OD1 2.7Å; R547-D605 PolarHBondContact NH1-OD1 2.85Å; R547-D605 IonicContact NH1-OD2 2.72Å; R547-D605 PolarHBondContact NH1-OD2 3.09Å; R547-D605 IonicContact NH2-OD1 3.55Å; R547-D605 PolarHBondContact NH2-OD1 3.39Å; R547-D605 IonicContact NH2-OD2 2.64Å; R547-D605 PolarHBondContact NH2-OD2 3.11Å; R547-G607 VanDerWaalsContact CD-O 3.27Å; R547-G607 WeakPolarHBondContact CD-O 3.47Å |
| 548 | S | 88.9 | Confident | 92.1 | Very high | 56 Ų | 56 | 52.9 Ų | 52.9 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 36.5 | 178.8 | -148.8 | 0 | 0 | 0 | 0 | 113.7 | T574 K575 G608 | S548-T574 WeakPolarHBondContact CA-O 3.41Å; S548-T574 PolarHBondContact N-O 3.29Å; S548-T574 PolarHBondContact N-OG1 2.86Å; S548-T574 VanDerWaalsContact N-OG1 3.08Å; S548-K575 PolarHBondContact N-O 3.26Å; S548-G608 VanDerWaalsContact CB-O 3.26Å; S548-G608 WeakPolarHBondContact CB-O 3.49Å; S548-G608 PolarHBondContact OG-O 2.77Å |
| 549 | T | 89.8 | Confident | 91.7 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | trans | -125.7 | 139.8 | -172.2 | -61.7 | 0 | 0 | 0 | 0 | 109.7 | E522 R546 R547 Y551 I573 T574 | E522-T549 HydrophobicContact CG-CG2 4.31Å; R546-T549 HydrophobicContact CB-CG2 4.22Å; R546-T549 WeakPolarHBondContact CB-OG1 3.45Å; R547-T549 PolarHBondContact O-N 3.36Å; R547-T549 PolarHBondContact O-OG1 3.43Å; T549-Y551 HydrophobicContact CG2-CD2 4.42Å; T549-Y551 HydrophobicContact CG2-CE2 3.69Å; T549-Y551 WeakPolarHBondContact O-CD2 3.26Å; T549-I573 WeakPolarHBondContact O-CA 3.45Å; T549-T574 PolarHBondContact N-OG1 2.88Å; T549-T574 PolarHBondContact O-N 2.97Å; T549-T574 PolarHBondContact O-OG1 3.07Å | ||
| 550 | K | 91.8 | Very high | 90.9 | Very high | 84 Ų | 84 | 52.4 Ų | 52.4 | 37% | 0.365 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.1 | -180 | -49.8 | -141.5 | -136.8 | 92 | 0 | 111.5 | E523 I573 | E523-K550 HydrophobicContact CB-CB 4.2Å; E523-K550 PolarHBondContact N-O 2.98Å; E523-K550 IonicContact OE1-NZ 3.78Å; E523-K550 IonicContact OE2-NZ 3.37Å; E523-K550 PolarHBondContact OE2-NZ 2.92Å; K550-I573 HydrophobicContact CD-CD1 3.87Å; K550-I573 HydrophobicContact CD-CG1 4.02Å; K550-I573 HydrophobicContact CG-CD1 4.11Å; K550-I573 HydrophobicContact CG-CG1 4Å |
| 551 | Y | 93.3 | Very high | 90 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.7 | 175.2 | -68.5 | -84.2 | 0 | 0 | 0 | 109.8 | L498 M520 E521 E522 L545 R546 T549 F553 F572 T574 | L498-Y551 HydrophobicContact CD1-CD2 4.27Å; M520-Y551 HydrophobicContact CE-CD1 4.34Å; M520-Y551 HydrophobicContact CG-CD1 4.14Å; M520-Y551 HydrophobicContact SD-CD1 3.7Å; M520-Y551 HydrophobicContact SD-CE1 4.38Å; M520-Y551 HydrophobicContact SD-CG 4.25Å; E521-Y551 WeakPolarHBondContact O-CA 3.46Å; E522-Y551 HydrophobicContact CB-CD1 3.99Å; E522-Y551 HydrophobicContact CB-CE1 3.56Å; E522-Y551 HydrophobicContact CG-CD1 4.31Å; E522-Y551 HydrophobicContact CG-CE1 3.6Å; E522-Y551 WeakPolarHBondContact OE2-CE1 3.27Å; E522-Y551 PolarHBondContact OE2-OH 2.76Å; L545-Y551 HydrophobicContact CB-CD2 4.49Å; L545-Y551 HydrophobicContact CB-CE2 3.8Å; L545-Y551 HydrophobicContact CD1-CD2 4.17Å; L545-Y551 HydrophobicContact CD1-CE2 4.31Å; L545-Y551 HydrophobicContact CD1-CG 4.5Å; L545-Y551 HydrophobicContact CD2-CD1 4.18Å; L545-Y551 HydrophobicContact CD2-CE1 3.87Å; L545-Y551 HydrophobicContact CD2-CE2 4.31Å; L545-Y551 HydrophobicContact CG-CE2 4.37Å; R546-Y551 WeakPolarHBondContact CB-OH 3.33Å; R546-Y551 WeakPolarHBondContact CG-OH 3.44Å; R546-Y551 PolarHBondContact N-OH 3.01Å; T549-Y551 HydrophobicContact CG2-CD2 4.42Å; T549-Y551 HydrophobicContact CG2-CE2 3.69Å; T549-Y551 WeakPolarHBondContact O-CD2 3.26Å; Y551-F553 VanDerWaalsContact CB-CE2 3.5Å; Y551-F572 PolarHBondContact N-O 2.79Å; Y551-F572 PolarHBondContact O-N 3.5Å; Y551-T574 HydrophobicContact CD2-CG2 4.22Å; Y551-T574 HydrophobicContact CE2-CG2 4.1Å |
| 552 | K | 94.3 | Very high | 89 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 15% | 0.148 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134.3 | 178.1 | -47.8 | -176.2 | -167.3 | -90 | 0 | 108.5 | M520 E521 E523 F529 V569 V570 E571 | M520-K552 CarbonylContact C-O 3.58Å; M520-K552 VanDerWaalsContact CA-O 3.29Å; M520-K552 WeakPolarHBondContact CA-O 3.3Å; E521-K552 HydrophobicContact CB-CB 4.37Å; E521-K552 PolarHBondContact N-O 2.9Å; E521-K552 PolarHBondContact O-N 2.89Å; E523-K552 WeakPolarHBondContact OE1-CE 3.47Å; E523-K552 IonicContact OE1-NZ 2.79Å; E523-K552 PolarHBondContact OE1-NZ 3.07Å; F529-K552 HydrophobicContact CE1-CB 4.17Å; F529-K552 HydrophobicContact CZ-CB 3.97Å; K552-V569 HydrophobicContact CB-CG1 3.9Å; K552-V570 CarbonylContact C-O 3.47Å; K552-V570 VanDerWaalsContact CA-O 3.31Å; K552-V570 WeakPolarHBondContact CA-O 3.38Å; K552-E571 HydrophobicContact CG-CG 4.1Å; K552-E571 VanDerWaalsContact NZ-CD 3.32Å; K552-E571 IonicContact NZ-OE1 3.49Å; K552-E571 PolarHBondContact NZ-OE1 2.9Å; K552-E571 IonicContact NZ-OE2 3.61Å |
| 553 | F | 95.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.7 | -177.6 | -63.2 | -91.2 | 0 | 0 | 0 | 112 | P488 L498 M500 L518 E519 M520 V542 Y551 V569 V570 F572 | P488-F553 HydrophobicContact CG-CB 4.15Å; L498-F553 HydrophobicContact CB-CZ 4.23Å; L498-F553 HydrophobicContact CD1-CE2 3.56Å; L498-F553 HydrophobicContact CD1-CZ 3.77Å; M500-F553 HydrophobicContact CE-CB 3.71Å; M500-F553 HydrophobicContact CE-CD1 4.36Å; M500-F553 HydrophobicContact CE-CD2 3.89Å; M500-F553 HydrophobicContact CE-CG 3.73Å; M500-F553 HydrophobicContact CG-CD1 4.04Å; M500-F553 HydrophobicContact CG-CE1 4.1Å; M500-F553 HydrophobicContact CG-CG 4.3Å; M500-F553 HydrophobicContact CG-CZ 4.43Å; M500-F553 HydrophobicContact SD-CD1 4.41Å; M500-F553 HydrophobicContact SD-CD2 3.95Å; M500-F553 HydrophobicContact SD-CE2 4.12Å; M500-F553 HydrophobicContact SD-CG 4.11Å; M500-F553 HydrophobicContact SD-CZ 4.41Å; L518-F553 HydrophobicContact CD1-CD1 4.32Å; L518-F553 HydrophobicContact CD2-CD1 4.23Å; L518-F553 HydrophobicContact CG-CD1 4.29Å; E519-F553 WeakPolarHBondContact O-CA 3.44Å; M520-F553 HydrophobicContact CB-CD1 3.88Å; M520-F553 HydrophobicContact CB-CE1 3.77Å; M520-F553 HydrophobicContact CG-CD1 3.92Å; M520-F553 HydrophobicContact CG-CE1 3.46Å; M520-F553 VanDerWaalsContact CG-CE1 3.46Å; M520-F553 HydrophobicContact CG-CZ 3.82Å; M520-F553 HydrophobicContact SD-CE1 3.52Å; M520-F553 VanDerWaalsContact SD-CE1 3.52Å; M520-F553 HydrophobicContact SD-CZ 3.63Å; V542-F553 HydrophobicContact CG2-CE1 4.1Å; Y551-F553 VanDerWaalsContact CB-CE2 3.5Å; F553-V569 WeakPolarHBondContact O-CA 3.42Å; F553-V570 HydrophobicContact CB-CG2 3.95Å; F553-V570 PolarHBondContact N-O 2.88Å; F553-V570 PolarHBondContact O-N 3.16Å; F553-F572 HydrophobicContact CD2-CD2 4.28Å |
| 554 | R | 94.4 | Very high | 88.3 | Confident | 64 Ų | 64 | 52 Ų | 52 | 24% | 0.242 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 153.3 | 166.6 | 66.8 | -169 | -167.7 | -164 | 1.5 | 109.5 | E519 F529 P566 S567 V569 | E519-R554 HydrophobicContact CB-CG 4Å; E519-R554 PolarHBondContact N-O 2.66Å; E519-R554 PolarHBondContact O-N 2.83Å; E519-R554 IonicContact OE2-CZ 2.91Å; E519-R554 IonicContact OE2-NE 2.69Å; E519-R554 PolarHBondContact OE2-NE 2.8Å; E519-R554 IonicContact OE2-NH2 3.59Å; E519-R554 PolarHBondContact OE2-NH2 2.86Å; F529-R554 HydrophobicContact CD1-CG 3.81Å; F529-R554 VanDerWaalsContact CD2-NH1 3.3Å; F529-R554 HydrophobicContact CE1-CB 4.43Å; F529-R554 HydrophobicContact CE1-CG 3.9Å; R554-P566 HydrophobicContact CB-CB 4.41Å; R554-P566 HydrophobicContact CG-CB 4.08Å; R554-S567 WeakPolarHBondContact CA-OG 3.48Å; R554-V569 HydrophobicContact CB-CG2 4.36Å |
| 555 | V | 94.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 145.1 | 179.9 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | P485 P488 W502 I517 L518 P566 S567 | P485-V555 HydrophobicContact CB-CG1 4.13Å; P485-V555 HydrophobicContact CG-CB 4.42Å; P485-V555 HydrophobicContact CG-CG1 3.68Å; P485-V555 HydrophobicContact CG-CG2 4.48Å; P485-V555 VanDerWaalsContact CG-O 3.28Å; P485-V555 WeakPolarHBondContact CG-O 3.34Å; P488-V555 HydrophobicContact CB-CG1 4.28Å; P488-V555 HydrophobicContact CG-CG1 4.29Å; W502-V555 HydrophobicContact CB-CG1 4.03Å; W502-V555 HydrophobicContact CD2-CG2 3.97Å; W502-V555 HydrophobicContact CE3-CG2 4.44Å; W502-V555 HydrophobicContact CG-CG1 4.23Å; W502-V555 HydrophobicContact CG-CG2 4.12Å; I517-V555 WeakPolarHBondContact O-CA 3.34Å; L518-V555 HydrophobicContact CD1-CB 4.14Å; V555-P566 CarbonylContact O-C 3.56Å; V555-P566 WeakPolarHBondContact O-CA 3.1Å; V555-S567 PolarHBondContact N-OG 2.8Å; V555-S567 WeakPolarHBondContact O-CB 3.32Å; V555-S567 PolarHBondContact O-N 3.01Å |
| 556 | A | 91.9 | Very high | 88 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 146 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y516 I517 K563 P566 | Y516-A556 CarbonylContact C-O 3.4Å; Y516-A556 VanDerWaalsContact CA-O 3.32Å; Y516-A556 WeakPolarHBondContact CA-O 3.42Å; I517-A556 PolarHBondContact N-O 3.18Å; I517-A556 PolarHBondContact O-N 2.61Å; A556-K563 VanDerWaalsContact CB-CE 3.44Å; A556-K563 HydrophobicContact CB-CG 4.32Å; A556-P566 HydrophobicContact CB-CB 4.29Å |
| 557 | A | 89.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 148.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | P482 P485 P505 I514 Y515 Y516 S564 | P482-A557 HydrophobicContact CB-CB 3.93Å; P482-A557 HydrophobicContact CG-CB 4.35Å; P485-A557 HydrophobicContact CG-CB 4.49Å; P505-A557 HydrophobicContact CG-CB 4.28Å; I514-A557 HydrophobicContact CG2-CB 4.22Å; Y515-A557 CarbonylContact O-C 3.48Å; Y515-A557 VanDerWaalsContact O-CA 3.29Å; Y515-A557 WeakPolarHBondContact O-CA 3.2Å; Y516-A557 HydrophobicContact CD1-CB 3.92Å; Y516-A557 HydrophobicContact CE1-CB 3.94Å; A557-S564 PolarHBondContact N-OG 3.4Å; A557-S564 WeakPolarHBondContact O-CB 3.46Å; A557-S564 PolarHBondContact O-N 3.02Å; A557-S564 PolarHBondContact O-OG 3.11Å |
| 558 | Y | 87.1 | Confident | 88.4 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 25% | 0.247 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 156.6 | 175.5 | 75.1 | -91.3 | 0 | 0 | 0 | 113.4 | I514 Y515 I517 D534 G562 | I514-Y558 WeakPolarHBondContact CA-O 3.34Å; Y515-Y558 HydrophobicContact CD2-CD2 4.49Å; Y515-Y558 AromaticContact CD2-CE2 3.92Å; Y515-Y558 HydrophobicContact CD2-CE2 3.92Å; Y515-Y558 HydrophobicContact CG-CE1 4.34Å; Y515-Y558 HydrophobicContact CG-CE2 4.07Å; Y515-Y558 AromaticContact CG-CZ 3.82Å; Y515-Y558 PolarHBondContact N-O 2.62Å; Y515-Y558 PolarHBondContact O-N 2.76Å; I517-Y558 HydrophobicContact CD1-CD1 3.89Å; I517-Y558 HydrophobicContact CD1-CE1 3.92Å; I517-Y558 HydrophobicContact CG1-CD1 3.98Å; I517-Y558 HydrophobicContact CG1-CE1 3.81Å; D534-Y558 VanDerWaalsContact OD1-CE1 3.26Å; D534-Y558 WeakPolarHBondContact OD1-CE1 3.42Å; D534-Y558 PolarHBondContact OD1-OH 3.02Å; Y558-G562 VanDerWaalsContact CA-O 3.3Å; Y558-G562 WeakPolarHBondContact CA-O 3.12Å; Y558-G562 WeakPolarHBondContact CB-O 3.22Å |
| 559 | N | 81.8 | Confident | 88.6 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | -169 | 172.8 | 69.4 | 11 | 0 | 0 | 0 | 110.6 | S480 P482 D513 I514 E561 G562 | S480-N559 PolarHBondContact O-ND2 3.01Å; P482-N559 HydrophobicContact CG-CB 4.13Å; D513-N559 WeakPolarHBondContact O-CB 3.31Å; I514-N559 HydrophobicContact CG1-CB 4.35Å; N559-E561 PolarHBondContact O-N 2.85Å; N559-E561 WeakPolarHBondContact OD1-CB 3.36Å; N559-E561 PolarHBondContact OD1-N 3.38Å; N559-G562 PolarHBondContact N-O 3.42Å; N559-G562 VanDerWaalsContact N-O 3.09Å; N559-G562 PolarHBondContact O-N 3.21Å |
| 560 | S | 78.1 | Confident | 88.8 | Confident | 103 Ų | 103 | 50 Ų | 50 | 72% | 0.72 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -23.7 | 179.4 | 63.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 561 | E | 74.9 | Confident | 88.9 | Confident | 102 Ų | 102 | 50.6 Ų | 50.6 | 48% | 0.477 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -12.6 | -178.3 | -51 | -67.4 | 126.6 | 0 | 0 | 112.7 | C479 V481 N559 | C479-E561 HydrophobicContact CB-CG 3.9Å; V481-E561 HydrophobicContact CG2-CB 4.07Å; V481-E561 WeakPolarHBondContact CG2-O 3.29Å; N559-E561 PolarHBondContact O-N 2.85Å; N559-E561 WeakPolarHBondContact OD1-CB 3.36Å; N559-E561 PolarHBondContact OD1-N 3.38Å |
| 562 | G | 75.5 | Confident | 89 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.6 | -175.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y558 N559 | Y558-G562 VanDerWaalsContact CA-O 3.3Å; Y558-G562 WeakPolarHBondContact CA-O 3.12Å; Y558-G562 WeakPolarHBondContact CB-O 3.22Å; N559-G562 PolarHBondContact N-O 3.42Å; N559-G562 VanDerWaalsContact N-O 3.09Å; N559-G562 PolarHBondContact O-N 3.21Å |
| 563 | K | 83.9 | Confident | 88.8 | Confident | 94 Ų | 94 | 55.4 Ų | 55.4 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 140.2 | -179.9 | -173.8 | -179.9 | 176.6 | 173.1 | 0 | 111.6 | V481 I517 E519 A556 | V481-K563 WeakPolarHBondContact CG1-O 3.47Å; I517-K563 HydrophobicContact CD1-CD 3.99Å; E519-K563 IonicContact OE1-NZ 2.7Å; E519-K563 PolarHBondContact OE1-NZ 3.4Å; A556-K563 VanDerWaalsContact CB-CE 3.44Å; A556-K563 HydrophobicContact CB-CG 4.32Å |
| 564 | S | 87 | Confident | 88.7 | Confident | 11 Ų | 11 | 55.5 Ų | 55.5 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 168.1 | 174.3 | 77.2 | 0 | 0 | 0 | 0 | 112.1 | P482 A557 | P482-S564 VanDerWaalsContact O-CB 3.29Å; P482-S564 WeakPolarHBondContact O-CB 3.32Å; A557-S564 PolarHBondContact N-OG 3.4Å; A557-S564 WeakPolarHBondContact O-CB 3.46Å; A557-S564 PolarHBondContact O-N 3.02Å; A557-S564 PolarHBondContact O-OG 3.11Å |
| 565 | N | 88.1 | Confident | 88.6 | Confident | 124 Ų | 124 | 57.5 Ų | 57.5 | 66% | 0.663 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 149.6 | 156.7 | -65 | -25.5 | 0 | 0 | 0 | 109.2 | P484 | P484-N565 WeakPolarHBondContact CB-O 3.37Å; P484-N565 HydrophobicContact CG-CB 3.94Å |
| 566 | P | 90.5 | Very high | 88.4 | Confident | 54 Ų | 54 | 58.2 Ų | 58.2 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 162.2 | 173.1 | 30.4 | -35.5 | 0 | 0 | 0 | 111.9 | R554 V555 A556 | R554-P566 HydrophobicContact CB-CB 4.41Å; R554-P566 HydrophobicContact CG-CB 4.08Å; V555-P566 CarbonylContact O-C 3.56Å; V555-P566 WeakPolarHBondContact O-CA 3.1Å; A556-P566 HydrophobicContact CB-CB 4.29Å |
| 567 | S | 92.8 | Very high | 88.5 | Confident | 13 Ų | 13 | 61 Ų | 61 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 172.9 | 169.7 | 72.3 | 0 | 0 | 0 | 0 | 112.4 | P485 R554 V555 | P485-S567 WeakPolarHBondContact O-CB 3.14Å; R554-S567 WeakPolarHBondContact CA-OG 3.48Å; V555-S567 PolarHBondContact N-OG 2.8Å; V555-S567 WeakPolarHBondContact O-CB 3.32Å; V555-S567 PolarHBondContact O-N 3.01Å |
| 568 | Q | 92.3 | Very high | 88.5 | Confident | 158 Ų | 158 | 67.6 Ų | 67.6 | 74% | 0.738 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 152.9 | 160.8 | -56.8 | -179.1 | -5.4 | 0 | 0 | 110.1 | P487 | P487-Q568 HydrophobicContact CG-CB 3.87Å; P487-Q568 HydrophobicContact CG-CG 4.39Å |
| 569 | V | 93.8 | Very high | 88.8 | Confident | 67 Ų | 67 | 64.7 Ų | 64.7 | 41% | 0.406 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 136.6 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 109.7 | F529 K552 F553 R554 | F529-V569 HydrophobicContact CE1-CG1 4.37Å; F529-V569 HydrophobicContact CE1-CG2 4.25Å; F529-V569 HydrophobicContact CE2-CG2 4.2Å; F529-V569 HydrophobicContact CZ-CB 4.35Å; F529-V569 HydrophobicContact CZ-CG1 3.76Å; F529-V569 HydrophobicContact CZ-CG2 3.57Å; K552-V569 HydrophobicContact CB-CG1 3.9Å; F553-V569 WeakPolarHBondContact O-CA 3.42Å; R554-V569 HydrophobicContact CB-CG2 4.36Å |
| 570 | V | 94.2 | Very high | 89.3 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 153.6 | 171.6 | -65.2 | 0 | 0 | 0 | 0 | 110 | P487 P488 M500 K552 F553 F572 | P487-V570 HydrophobicContact CB-CG1 3.72Å; P488-V570 HydrophobicContact CG-CG2 3.9Å; P488-V570 WeakPolarHBondContact O-CG2 3.28Å; M500-V570 HydrophobicContact CE-CG2 4.04Å; K552-V570 CarbonylContact C-O 3.47Å; K552-V570 VanDerWaalsContact CA-O 3.31Å; K552-V570 WeakPolarHBondContact CA-O 3.38Å; F553-V570 HydrophobicContact CB-CG2 3.95Å; F553-V570 PolarHBondContact N-O 2.88Å; F553-V570 PolarHBondContact O-N 3.16Å; V570-F572 HydrophobicContact CB-CE2 3.91Å; V570-F572 HydrophobicContact CB-CZ 4.29Å; V570-F572 HydrophobicContact CG2-CD2 4.15Å; V570-F572 HydrophobicContact CG2-CE2 3.58Å; V570-F572 HydrophobicContact CG2-CZ 4.39Å |
| 571 | E | 94.2 | Very high | 89.9 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.6 | -178.1 | -51.1 | -163.5 | 164.5 | 0 | 0 | 110.7 | K552 | K552-E571 HydrophobicContact CG-CG 4.1Å; K552-E571 VanDerWaalsContact NZ-CD 3.32Å; K552-E571 IonicContact NZ-OE1 3.49Å; K552-E571 PolarHBondContact NZ-OE1 2.9Å; K552-E571 IonicContact NZ-OE2 3.61Å |
| 572 | F | 94.3 | Very high | 90.7 | Very high | 49 Ų | 49 | 59.1 Ų | 59.1 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.6 | 178.9 | -64.4 | -61 | 0 | 0 | 0 | 110.9 | L490 L498 M500 Y551 F553 V570 | L490-F572 HydrophobicContact CB-CD1 3.79Å; L490-F572 HydrophobicContact CB-CD2 3.98Å; L490-F572 HydrophobicContact CB-CE1 3.61Å; L490-F572 HydrophobicContact CB-CE2 3.79Å; L490-F572 HydrophobicContact CB-CG 3.99Å; L490-F572 HydrophobicContact CB-CZ 3.61Å; L490-F572 HydrophobicContact CD1-CG 4.48Å; L490-F572 HydrophobicContact CD2-CB 4.44Å; L490-F572 HydrophobicContact CD2-CD1 3.75Å; L490-F572 HydrophobicContact CD2-CE1 4.23Å; L490-F572 HydrophobicContact CD2-CG 4.12Å; L490-F572 HydrophobicContact CG-CD1 4.32Å; L490-F572 HydrophobicContact CG-CG 4.43Å; L498-F572 HydrophobicContact CD1-CB 4.08Å; M500-F572 HydrophobicContact CE-CD2 3.67Å; M500-F572 HydrophobicContact CE-CE2 3.56Å; M500-F572 HydrophobicContact SD-CD2 3.79Å; M500-F572 HydrophobicContact SD-CE2 4.13Å; Y551-F572 PolarHBondContact N-O 2.79Å; Y551-F572 PolarHBondContact O-N 3.5Å; F553-F572 HydrophobicContact CD2-CD2 4.28Å; V570-F572 HydrophobicContact CB-CE2 3.91Å; V570-F572 HydrophobicContact CB-CZ 4.29Å; V570-F572 HydrophobicContact CG2-CD2 4.15Å; V570-F572 HydrophobicContact CG2-CE2 3.58Å; V570-F572 HydrophobicContact CG2-CZ 4.39Å |
| 573 | I | 91.8 | Very high | 91.3 | Very high | 89 Ų | 89 | 59.5 Ų | 59.5 | 46% | 0.456 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.1 | -177.9 | -40.7 | -174.7 | 0 | 0 | 0 | 108.5 | T549 K550 | T549-I573 WeakPolarHBondContact O-CA 3.45Å; K550-I573 HydrophobicContact CD-CD1 3.87Å; K550-I573 HydrophobicContact CD-CG1 4.02Å; K550-I573 HydrophobicContact CG-CD1 4.11Å; K550-I573 HydrophobicContact CG-CG1 4Å |
| 574 | T | 92.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 147.4 | 167.3 | 45.2 | 0 | 0 | 0 | 0 | 110.6 | L498 L545 R546 R547 S548 T549 Y551 | L498-T574 HydrophobicContact CD1-CG2 4.23Å; L498-T574 HydrophobicContact CD2-CG2 4.15Å; L498-T574 HydrophobicContact CG-CG2 3.92Å; L545-T574 HydrophobicContact CB-CG2 3.81Å; L545-T574 HydrophobicContact CD1-CG2 3.94Å; R546-T574 WeakPolarHBondContact O-CB 3.37Å; R546-T574 WeakPolarHBondContact O-CG2 3.5Å; R546-T574 PolarHBondContact O-OG1 2.86Å; R547-T574 VanDerWaalsContact C-OG1 3.27Å; R547-T574 WeakPolarHBondContact CA-OG1 3.46Å; S548-T574 WeakPolarHBondContact CA-O 3.41Å; S548-T574 PolarHBondContact N-O 3.29Å; S548-T574 PolarHBondContact N-OG1 2.86Å; S548-T574 VanDerWaalsContact N-OG1 3.08Å; T549-T574 PolarHBondContact N-OG1 2.88Å; T549-T574 PolarHBondContact O-N 2.97Å; T549-T574 PolarHBondContact O-OG1 3.07Å; Y551-T574 HydrophobicContact CD2-CG2 4.22Å; Y551-T574 HydrophobicContact CE2-CG2 4.1Å |
| 575 | K | 91.8 | Very high | 92 | Very high | 106 Ų | 106 | 60.4 Ų | 60.4 | 46% | 0.461 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 152.4 | 178.4 | -72.8 | 178 | 178.9 | 153.5 | 0 | 111.2 | A493 G494 S548 | A493-K575 HydrophobicContact CB-CG 4.34Å; A493-K575 WeakPolarHBondContact O-CD 3.46Å; A493-K575 WeakPolarHBondContact O-CE 3.26Å; A493-K575 PolarHBondContact O-NZ 3.21Å; G494-K575 PolarHBondContact O-N 3.37Å; S548-K575 PolarHBondContact N-O 3.26Å |
| 576 | P | 91.8 | Very high | 92.3 | Very high | 15 Ų | 15 | 57 Ų | 57 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 151.4 | 163.9 | 29.4 | -34.8 | 0 | 0 | 0 | 110.5 | G607 A609 E658 | P576-G607 WeakPolarHBondContact CA-O 3.42Å; P576-A609 HydrophobicContact CB-CB 3.58Å; P576-A609 HydrophobicContact CG-CB 3.92Å; P576-E658 HydrophobicContact CG-CB 4.15Å; P576-E658 HydrophobicContact CG-CG 4.28Å |
| 577 | D | 92.5 | Very high | 92.5 | Very high | 58 Ų | 58 | 56.9 Ų | 56.9 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 167.3 | 166.9 | -157.8 | -6.5 | 0 | 0 | 0 | 110 | V495 G607 G659 | V495-D577 HydrophobicContact CG1-CB 3.63Å; D577-G607 PolarHBondContact N-O 3.45Å; D577-G607 WeakPolarHBondContact O-CA 3.19Å; D577-G659 WeakPolarHBondContact O-CA 3.34Å |
| 578 | R | 90 | Very high | 92.5 | Very high | 138 Ų | 138 | 63.3 Ų | 63.3 | 52% | 0.521 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 153.5 | 166.3 | 58.9 | 176.9 | 172 | -177.2 | -2.8 | 110.5 | G659 Q661 | R578-G659 PolarHBondContact N-O 2.84Å; R578-Q661 VanDerWaalsContact CD-O 3.25Å; R578-Q661 WeakPolarHBondContact CD-O 3.49Å |
| 579 | P | 93.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.013 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 160.7 | 176.7 | -15.7 | 30.3 | 0 | 0 | 0 | 112.1 | P603 D605 V611 S657 G660 S662 | P579-P603 HydrophobicContact CB-CB 4.25Å; P579-P603 HydrophobicContact CB-CG 3.81Å; P579-D605 WeakPolarHBondContact CA-O 3.46Å; P579-V611 HydrophobicContact CG-CG2 4.25Å; P579-S657 WeakPolarHBondContact CD-OG 3.3Å; P579-S657 WeakPolarHBondContact CG-OG 3.31Å; P579-G660 WeakPolarHBondContact CD-O 3.2Å; P579-S662 WeakPolarHBondContact O-CA 3.49Å; P579-S662 WeakPolarHBondContact O-CB 3.19Å |
| 580 | S | 92.3 | Very high | 92.3 | Very high | 36 Ų | 36 | 66.8 Ų | 66.8 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 166 | 165 | 73.9 | 0 | 0 | 0 | 0 | 110.9 | P603 D605 S662 | S580-P603 WeakPolarHBondContact O-CB 3.48Å; S580-P603 WeakPolarHBondContact OG-CB 3.14Å; S580-D605 PolarHBondContact N-O 3.24Å; S580-D605 PolarHBondContact OG-N 2.83Å; S580-D605 PolarHBondContact OG-O 3.13Å; S580-S662 VanDerWaalsContact O-CB 3.22Å; S580-S662 WeakPolarHBondContact O-CB 3.42Å |
| 581 | C | 90.3 | Very high | 92.3 | Very high | 65 Ų | 65 | 66.9 Ų | 66.9 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 140 | 167.8 | 50.3 | 0 | 0 | 0 | 0 | 110.7 | P663 | C581-P663 WeakPolarHBondContact CA-O 3.46Å; C581-P663 HydrophobicContact CB-CB 4.27Å |
| 582 | P | 91.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.032 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 155.9 | 169.2 | -20.5 | 33.1 | 0 | 0 | 0 | 111.3 | L653 C655 P663 S665 | P582-L653 HydrophobicContact CB-CD1 3.65Å; P582-L653 HydrophobicContact CB-CG 4.01Å; P582-L653 HydrophobicContact CG-CD1 3.83Å; P582-L653 HydrophobicContact CG-CG 4.16Å; P582-C655 HydrophobicContact CG-CB 4.32Å; P582-P663 WeakPolarHBondContact CD-O 3.37Å; P582-S665 WeakPolarHBondContact O-CB 3.47Å |
| 583 | C | 88.6 | Confident | 92.1 | Very high | 36 Ų | 36 | 66.8 Ų | 66.8 | 24% | 0.243 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 149.6 | 168.7 | -68.9 | 0 | 0 | 0 | 0 | 110.8 | E601 | C583-E601 HydrophobicContact CB-CB 4.34Š|
| 584 | R | 91.3 | Very high | 92.2 | Very high | 121 Ų | 121 | 66.4 Ų | 66.4 | 46% | 0.457 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 128 | 171.5 | -168.7 | -179.8 | -173.5 | -137 | 3.9 | 109.4 | E666 T667 | R584-E666 HydrophobicContact CB-CB 3.95Å; R584-E666 WeakPolarHBondContact CD-OE2 3.46Å; R584-E666 HydrophobicContact CG-CB 3.84Å; R584-T667 PolarHBondContact NE-O 3.45Å; R584-T667 PolarHBondContact NH2-O 3.32Å |
| 585 | P | 93.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.019 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 145.4 | 179.4 | 24.5 | -28.3 | 0 | 0 | 0 | 110.1 | M598 A599 W600 L653 L668 | P585-M598 HydrophobicContact CB-SD 4.43Å; P585-A599 WeakPolarHBondContact CA-O 3.2Å; P585-W600 HydrophobicContact CB-CB 4.37Å; P585-L653 HydrophobicContact CB-CD2 3.74Å; P585-L653 HydrophobicContact CG-CD2 3.56Å; P585-L668 HydrophobicContact CB-CD2 4.31Å; P585-L668 HydrophobicContact CG-CB 3.78Å; P585-L668 HydrophobicContact CG-CD2 4.22Å |
| 586 | A | 93.8 | Very high | 92.5 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 139.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | M598 A599 | A586-M598 CarbonylContact O-C 3.54Å; A586-M598 VanDerWaalsContact O-CA 3.28Å; A586-M598 WeakPolarHBondContact O-CA 3.35Å; A586-A599 PolarHBondContact N-O 3.19Å; A586-A599 PolarHBondContact O-N 3.01Å |
| 587 | I | 95.8 | Very high | 92.7 | Very high | 52 Ų | 52 | 64.4 Ų | 64.4 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 135.4 | 172.9 | -61.2 | -65.4 | 0 | 0 | 0 | 109.7 | V591 F596 K597 L668 V670 | I587-V591 HydrophobicContact CG2-CG2 3.91Å; I587-F596 HydrophobicContact CD1-CB 4.22Å; I587-F596 HydrophobicContact CD1-CD2 3.38Å; I587-F596 HydrophobicContact CD1-CE2 3.99Å; I587-F596 HydrophobicContact CD1-CG 3.97Å; I587-K597 WeakPolarHBondContact CA-O 3.26Å; I587-L668 HydrophobicContact CD1-CD2 3.83Å; I587-L668 HydrophobicContact CG1-CD1 4.31Å; I587-L668 HydrophobicContact CG1-CD2 4.22Å; I587-V670 HydrophobicContact CD1-CB 4.18Å; I587-V670 HydrophobicContact CD1-CG2 3.86Å; I587-V670 HydrophobicContact CG1-CG2 4.35Å |
| 588 | R | 93.1 | Very high | 92.8 | Very high | 149 Ų | 149 | 61.6 Ų | 61.6 | 56% | 0.562 | 31% | 0.314 | S | S | * | . | trans | -113.5 | 116.8 | 174.3 | -72.4 | -67.4 | -171.4 | 164.6 | -1.2 | 109.6 | K597 A599 | R588-K597 HydrophobicContact CB-CB 4.46Å; R588-K597 HydrophobicContact CB-CD 4.39Å; R588-K597 HydrophobicContact CB-CG 4.31Å; R588-K597 PolarHBondContact N-O 3.43Å; R588-A599 HydrophobicContact CG-CB 3.59Å | ||
| 589 | G | 89.8 | Confident | 93.1 | Very high | 74 Ų | 74 | 55.6 Ų | 55.6 | 76% | 0.763 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 81.5 | -154.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 590 | R | 91.1 | Very high | 93.2 | Very high | 223 Ų | 223 | 56 Ų | 56 | 84% | 0.842 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -89.3 | 134.8 | -178.8 | 176.4 | -179.1 | -73.6 | -113 | 3.7 | 110.3 | ||
| 591 | V | 94.3 | Very high | 93.2 | Very high | 33 Ų | 33 | 60 Ų | 60 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 127.1 | 167.6 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | I587 F596 V670 T672 | I587-V591 HydrophobicContact CG2-CG2 3.91Å; V591-F596 HydrophobicContact CG1-CB 4.17Å; V591-F596 HydrophobicContact CG2-CB 4.39Å; V591-V670 HydrophobicContact CG1-CG2 4.08Å; V591-V670 HydrophobicContact CG2-CG2 3.81Å; V591-T672 HydrophobicContact CG1-CG2 4.48Å |
| 592 | Q | 92.6 | Very high | 93.3 | Very high | 104 Ų | 104 | 60.2 Ų | 60.2 | 49% | 0.486 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -97.5 | 163.2 | 174.5 | -50.4 | -163.3 | 111.1 | 0 | 0 | 110.1 | D594 S595 P673 | Q592-D594 WeakPolarHBondContact CB-OD1 3.38Å; Q592-D594 PolarHBondContact O-N 3.45Å; Q592-S595 CarbonylContact C-O 3.6Å; Q592-S595 WeakPolarHBondContact CA-O 3.41Å; Q592-S595 WeakPolarHBondContact CB-O 3.5Å; Q592-S595 WeakPolarHBondContact CB-OG 3.46Å; Q592-S595 PolarHBondContact N-O 2.99Å; Q592-S595 PolarHBondContact NE2-OG 2.87Å; Q592-S595 PolarHBondContact O-N 3.23Å; Q592-S595 VanDerWaalsContact O-O 3.06Å; Q592-P673 WeakPolarHBondContact O-CD 3.37Å |
| 593 | P | 92.6 | Very high | 93.3 | Very high | 38 Ų | 38 | 60.5 Ų | 60.5 | 25% | 0.247 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -63.1 | -29.3 | -177.9 | -19.6 | 31.1 | 0 | 0 | 0 | 114 | K644 P645 T672 P673 V675 | P593-K644 CarbonylContact O-C 3.56Å; P593-P645 HydrophobicContact CB-CB 4Å; P593-P645 HydrophobicContact CB-CG 3.84Å; P593-P645 VanDerWaalsContact O-CA 3.27Å; P593-P645 WeakPolarHBondContact O-CA 3.12Å; P593-T672 WeakPolarHBondContact O-CB 3.35Å; P593-T672 WeakPolarHBondContact O-CG2 3.18Å; P593-P673 HydrophobicContact CB-CG 4.41Å; P593-P673 HydrophobicContact CG-CG 4.03Å; P593-V675 HydrophobicContact CB-CG1 3.53Å; P593-V675 HydrophobicContact CG-CG1 3.52Å |
| 594 | D | 93.1 | Very high | 93.4 | Very high | 82 Ų | 82 | 68.2 Ų | 68.2 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -107.1 | -7.6 | -175.4 | 63.9 | -8.6 | 0 | 0 | 0 | 113.7 | Q592 D641 G642 L643 | Q592-D594 WeakPolarHBondContact CB-OD1 3.38Å; Q592-D594 PolarHBondContact O-N 3.45Å; D594-D641 CarbonylContact O-C 3.41Å; D594-D641 WeakPolarHBondContact O-CA 3.48Å; D594-G642 PolarHBondContact O-N 3.31Å; D594-L643 WeakPolarHBondContact CA-O 3.11Å; D594-L643 VanDerWaalsContact O-CB 3.29Å; D594-L643 WeakPolarHBondContact O-CB 3.38Å; D594-L643 WeakPolarHBondContact O-CG 3.26Å; D594-L643 PolarHBondContact O-N 3.31Å |
| 595 | S | 94.6 | Very high | 93.4 | Very high | 8 Ų | 8 | 65 Ų | 65 | 6% | 0.056 | 33% | 0.333 | C | S | . | . | trans | -163.3 | 151.9 | -166.6 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | Q592 C640 | Q592-S595 CarbonylContact C-O 3.6Å; Q592-S595 WeakPolarHBondContact CA-O 3.41Å; Q592-S595 WeakPolarHBondContact CB-O 3.5Å; Q592-S595 WeakPolarHBondContact CB-OG 3.46Å; Q592-S595 PolarHBondContact N-O 2.99Å; Q592-S595 PolarHBondContact NE2-OG 2.87Å; Q592-S595 PolarHBondContact O-N 3.23Å; Q592-S595 VanDerWaalsContact O-O 3.06Å; S595-C640 CarbonylContact C-O 3.42Å; S595-C640 WeakPolarHBondContact CA-O 3.18Å; S595-C640 VanDerWaalsContact CB-O 3.23Å; S595-C640 WeakPolarHBondContact CB-O 3.49Å | ||
| 596 | F | 96.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.009 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 144.1 | 166.4 | 67.6 | -93 | 0 | 0 | 0 | 111.6 | I587 V591 M598 L618 V639 C640 L643 A651 V670 | I587-F596 HydrophobicContact CD1-CB 4.22Å; I587-F596 HydrophobicContact CD1-CD2 3.38Å; I587-F596 HydrophobicContact CD1-CE2 3.99Å; I587-F596 HydrophobicContact CD1-CG 3.97Å; V591-F596 HydrophobicContact CG1-CB 4.17Å; V591-F596 HydrophobicContact CG2-CB 4.39Å; F596-M598 HydrophobicContact CD2-CB 4.28Å; F596-M598 HydrophobicContact CE2-CB 4.12Å; F596-M598 HydrophobicContact CE2-CG 4.07Å; F596-M598 HydrophobicContact CE2-SD 3.9Å; F596-L618 HydrophobicContact CE1-CD1 4.21Å; F596-L618 HydrophobicContact CZ-CD1 3.83Å; F596-V639 WeakPolarHBondContact O-CA 3.22Å; F596-C640 HydrophobicContact CD1-CB 4.28Å; F596-C640 HydrophobicContact CE1-CB 3.87Å; F596-C640 HydrophobicContact CE2-CB 4.31Å; F596-C640 HydrophobicContact CZ-CB 3.89Å; F596-C640 PolarHBondContact N-O 2.76Å; F596-C640 PolarHBondContact O-N 3.08Å; F596-L643 HydrophobicContact CD1-CD1 3.38Å; F596-L643 HydrophobicContact CE1-CD1 3.55Å; F596-A651 HydrophobicContact CZ-CB 4.42Å; F596-V670 HydrophobicContact CD1-CG1 3.78Å; F596-V670 HydrophobicContact CD2-CG1 4.48Å; F596-V670 HydrophobicContact CE1-CG1 3.48Å; F596-V670 VanDerWaalsContact CE1-CG1 3.48Å; F596-V670 HydrophobicContact CE2-CG1 4.21Å; F596-V670 HydrophobicContact CG-CG1 4.3Å; F596-V670 HydrophobicContact CZ-CG1 3.72Å |
| 597 | K | 95.4 | Very high | 92.9 | Very high | 71 Ų | 71 | 65.5 Ų | 65.5 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 134 | 169.2 | -165.8 | 176.5 | -167.1 | -169.3 | 0 | 110.1 | I587 R588 E637 H638 V639 | I587-K597 WeakPolarHBondContact CA-O 3.26Å; R588-K597 HydrophobicContact CB-CB 4.46Å; R588-K597 HydrophobicContact CB-CD 4.39Å; R588-K597 HydrophobicContact CB-CG 4.31Å; R588-K597 PolarHBondContact N-O 3.43Å; K597-E637 VanDerWaalsContact CE-OE1 3.26Å; K597-E637 WeakPolarHBondContact CE-OE1 3.17Å; K597-E637 WeakPolarHBondContact CE-OE2 3.49Å; K597-E637 IonicContact NZ-OE1 3.47Å; K597-E637 PolarHBondContact NZ-OE1 2.99Å; K597-E637 IonicContact NZ-OE2 2.75Å; K597-E637 PolarHBondContact NZ-OE2 3.18Å; K597-H638 WeakPolarHBondContact CA-O 3.45Å; K597-V639 HydrophobicContact CB-CG2 4.02Å; K597-V639 HydrophobicContact CD-CG2 4.15Å; K597-V639 HydrophobicContact CG-CG2 3.82Å |
| 598 | M | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.5 | 171.2 | 58.3 | 177.8 | 168.1 | 0 | 0 | 110.4 | P585 A586 F596 W600 V616 V630 E637 H638 C640 A651 L668 | P585-M598 HydrophobicContact CB-SD 4.43Å; A586-M598 CarbonylContact O-C 3.54Å; A586-M598 VanDerWaalsContact O-CA 3.28Å; A586-M598 WeakPolarHBondContact O-CA 3.35Å; F596-M598 HydrophobicContact CD2-CB 4.28Å; F596-M598 HydrophobicContact CE2-CB 4.12Å; F596-M598 HydrophobicContact CE2-CG 4.07Å; F596-M598 HydrophobicContact CE2-SD 3.9Å; M598-W600 HydrophobicContact CE-CZ3 4.34Å; M598-W600 HydrophobicContact CG-CZ3 4.15Å; M598-V616 HydrophobicContact CE-CB 4.29Å; M598-V616 HydrophobicContact CE-CG1 3.47Å; M598-V616 VanDerWaalsContact CE-CG1 3.47Å; M598-V616 HydrophobicContact SD-CG1 4.14Å; M598-V630 HydrophobicContact CE-CG2 4.42Å; M598-E637 VanDerWaalsContact O-CA 3.28Å; M598-E637 WeakPolarHBondContact O-CA 3.35Å; M598-E637 WeakPolarHBondContact O-CB 3.25Å; M598-H638 HydrophobicContact CE-CB 4.48Å; M598-H638 PolarHBondContact N-O 3.04Å; M598-H638 PolarHBondContact O-N 3.39Å; M598-C640 WeakPolarHBondContact CE-SG 3.41Å; M598-A651 HydrophobicContact SD-CB 4.06Å; M598-L668 HydrophobicContact CB-CD2 4.3Å |
| 599 | A | 95.6 | Very high | 92.4 | Very high | 12 Ų | 12 | 58 Ų | 58 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 153.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P585 A586 R588 L636 E637 | P585-A599 WeakPolarHBondContact CA-O 3.2Å; A586-A599 PolarHBondContact N-O 3.19Å; A586-A599 PolarHBondContact O-N 3.01Å; R588-A599 HydrophobicContact CG-CB 3.59Å; A599-L636 CarbonylContact C-O 3.56Å; A599-L636 VanDerWaalsContact CA-O 3.23Å; A599-L636 WeakPolarHBondContact CA-O 3.22Å; A599-L636 WeakPolarHBondContact CB-O 3.44Å; A599-E637 HydrophobicContact CB-CB 3.88Å |
| 600 | W | 95.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 62.4 Ų | 62.4 | 4% | 0.038 | 31% | 0.309 | C | S | . | . | trans | -133.4 | 163.2 | 176.8 | 52.2 | 90.3 | 0 | 0 | 0 | 109.7 | P585 M598 Y614 V616 Y631 A635 L636 H638 L653 | P585-W600 HydrophobicContact CB-CB 4.37Å; M598-W600 HydrophobicContact CE-CZ3 4.34Å; M598-W600 HydrophobicContact CG-CZ3 4.15Å; W600-Y614 AromaticContact CD1-CD1 3.58Å; W600-Y614 AromaticContact CD1-CE1 3.86Å; W600-Y614 AromaticContact CD1-CG 3.9Å; W600-Y614 HydrophobicContact CZ2-CG 4.45Å; W600-Y614 AromaticContact NE1-CD1 3.3Å; W600-Y614 VanDerWaalsContact NE1-CD1 3.3Å; W600-Y614 AromaticContact NE1-CD2 3.54Å; W600-Y614 AromaticContact NE1-CE1 3.9Å; W600-Y614 AromaticContact NE1-CG 3.12Å; W600-V616 HydrophobicContact CE3-CG2 4.4Å; W600-V616 HydrophobicContact CH2-CG2 3.58Å; W600-V616 HydrophobicContact CZ2-CG2 3.93Å; W600-V616 HydrophobicContact CZ3-CG2 3.84Å; W600-Y631 AromaticContact CH2-CD1 3.86Å; W600-Y631 HydrophobicContact CH2-CD1 3.86Å; W600-Y631 HydrophobicContact CH2-CE1 4.26Å; W600-Y631 HydrophobicContact CH2-CG 4.46Å; W600-Y631 AromaticContact CZ2-CD1 3.89Å; W600-Y631 HydrophobicContact CZ2-CD1 3.89Å; W600-Y631 AromaticContact CZ2-CE1 3.98Å; W600-Y631 HydrophobicContact CZ2-CE1 3.98Å; W600-A635 WeakPolarHBondContact CZ2-O 3.45Å; W600-A635 PolarHBondContact NE1-O 2.83Å; W600-L636 PolarHBondContact N-O 3.33Å; W600-H638 HydrophobicContact CH2-CB 3.71Å; W600-H638 HydrophobicContact CZ3-CB 3.96Å; W600-L653 HydrophobicContact CB-CD1 3.98Å; W600-L653 HydrophobicContact CB-CD2 3.94Å; W600-L653 HydrophobicContact CD2-CD1 3.94Å; W600-L653 HydrophobicContact CD2-CD2 4.42Å; W600-L653 HydrophobicContact CG-CD1 3.53Å; W600-L653 HydrophobicContact CG-CD2 4.16Å | ||
| 601 | E | 93.5 | Very high | 92.5 | Very high | 121 Ų | 121 | 53.4 Ų | 53.4 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | trans | -104.7 | 153.7 | 176.8 | -65.7 | 177.8 | 163.4 | 0 | 0 | 109.7 | C583 | C583-E601 HydrophobicContact CB-CB 4.34Š| ||
| 602 | P | 91.8 | Very high | 92.4 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 44% | 0.442 | 30% | 0.295 | S | S | . | . | trans | -53.6 | 149.4 | 169.3 | -24.2 | 34.1 | 0 | 0 | 0 | 111.7 | K604 Y614 L636 | P602-K604 PolarHBondContact O-N 3.4Å; P602-Y614 WeakPolarHBondContact CA-OH 3.41Å; P602-L636 HydrophobicContact CG-CD1 4.09Å; P602-L636 HydrophobicContact CG-CD2 4.07Å | ||
| 603 | P | 93.1 | Very high | 92.5 | Very high | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.071 | 29% | 0.287 | C | S | . | . | trans | -60.2 | 139.9 | 175.5 | 29 | -36.6 | 0 | 0 | 0 | 110.2 | P579 S580 D605 V611 | P579-P603 HydrophobicContact CB-CB 4.25Å; P579-P603 HydrophobicContact CB-CG 3.81Å; S580-P603 WeakPolarHBondContact O-CB 3.48Å; S580-P603 WeakPolarHBondContact OG-CB 3.14Å; P603-D605 PolarHBondContact O-N 2.96Å; P603-D605 VanDerWaalsContact O-N 3.13Å; P603-V611 HydrophobicContact CG-CG2 3.85Å | ||
| 604 | K | 90.8 | Very high | 92.7 | Very high | 198 Ų | 198 | 53.3 Ų | 53.3 | 86% | 0.861 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -59.8 | -24.5 | 179.7 | -66.3 | -178.7 | -179 | 176.8 | 0 | 112.9 | P602 | P602-K604 PolarHBondContact O-N 3.4Š|
| 605 | D | 91.1 | Very high | 92.9 | Very high | 54 Ų | 54 | 49.7 Ų | 49.7 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | trans | -127.5 | 120.6 | 171.1 | -177.1 | 1.2 | 0 | 0 | 0 | 109.1 | R547 P579 S580 P603 G607 | R547-D605 IonicContact CZ-OD1 3.79Å; R547-D605 IonicContact CZ-OD2 2.61Å; R547-D605 IonicContact NH1-OD1 2.7Å; R547-D605 PolarHBondContact NH1-OD1 2.85Å; R547-D605 IonicContact NH1-OD2 2.72Å; R547-D605 PolarHBondContact NH1-OD2 3.09Å; R547-D605 IonicContact NH2-OD1 3.55Å; R547-D605 PolarHBondContact NH2-OD1 3.39Å; R547-D605 IonicContact NH2-OD2 2.64Å; R547-D605 PolarHBondContact NH2-OD2 3.11Å; P579-D605 WeakPolarHBondContact CA-O 3.46Å; S580-D605 PolarHBondContact N-O 3.24Å; S580-D605 PolarHBondContact OG-N 2.83Å; S580-D605 PolarHBondContact OG-O 3.13Å; P603-D605 PolarHBondContact O-N 2.96Å; P603-D605 VanDerWaalsContact O-N 3.13Å; D605-G607 VanDerWaalsContact C-N 3.33Å; D605-G607 PolarHBondContact OD1-N 2.94Å | ||
| 606 | N | 89.4 | Confident | 93 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 35% | 0.353 | 26% | 0.256 | S | S | . | . | trans | -86.7 | -2.5 | 178.8 | 70.7 | -7.9 | 0 | 0 | 0 | 113.6 | G608 A609 | N606-G608 VanDerWaalsContact C-N 3.26Å; N606-G608 PolarHBondContact O-N 3.45Å; N606-G608 WeakPolarHBondContact OD1-CA 3.46Å; N606-G608 PolarHBondContact OD1-N 3.41Å; N606-A609 VanDerWaalsContact CB-O 3.28Å; N606-A609 WeakPolarHBondContact CB-O 3.33Å; N606-A609 VanDerWaalsContact CG-O 3.23Å; N606-A609 PolarHBondContact ND2-O 3.39Å | ||
| 607 | G | 87.8 | Confident | 92.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 3.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R547 P576 D577 D605 | R547-G607 VanDerWaalsContact CD-O 3.27Å; R547-G607 WeakPolarHBondContact CD-O 3.47Å; P576-G607 WeakPolarHBondContact CA-O 3.42Å; D577-G607 PolarHBondContact N-O 3.45Å; D577-G607 WeakPolarHBondContact O-CA 3.19Å; D605-G607 VanDerWaalsContact C-N 3.33Å; D605-G607 PolarHBondContact OD1-N 2.94Å |
| 608 | G | 86.8 | Confident | 92.9 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 28% | 0.278 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 11.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S548 N606 | S548-G608 VanDerWaalsContact CB-O 3.26Å; S548-G608 WeakPolarHBondContact CB-O 3.49Å; S548-G608 PolarHBondContact OG-O 2.77Å; N606-G608 VanDerWaalsContact C-N 3.26Å; N606-G608 PolarHBondContact O-N 3.45Å; N606-G608 WeakPolarHBondContact OD1-CA 3.46Å; N606-G608 PolarHBondContact OD1-N 3.41Å |
| 609 | A | 89.8 | Confident | 92.9 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 12% | 0.124 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -135.1 | 156.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P576 N606 E658 | P576-A609 HydrophobicContact CB-CB 3.58Å; P576-A609 HydrophobicContact CG-CB 3.92Å; N606-A609 VanDerWaalsContact CB-O 3.28Å; N606-A609 WeakPolarHBondContact CB-O 3.33Å; N606-A609 VanDerWaalsContact CG-O 3.23Å; N606-A609 PolarHBondContact ND2-O 3.39Å; A609-E658 HydrophobicContact CB-CB 4.04Å |
| 610 | E | 90.1 | Very high | 92.6 | Very high | 168 Ų | 168 | 52.4 Ų | 52.4 | 79% | 0.785 | 27% | 0.27 | S | S | * | . | trans | -71 | 149.4 | 179 | -63.9 | -165.6 | 155.4 | 0 | 0 | 112.5 | T612 S657 | E610-T612 PolarHBondContact O-N 2.69Å; E610-S657 WeakPolarHBondContact O-CA 3.35Å; E610-S657 WeakPolarHBondContact O-CB 3.44Å | ||
| 611 | V | 93 | Very high | 92.2 | Very high | 34 Ų | 34 | 53.1 Ų | 53.1 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 114.6 | 178.5 | 175.4 | 0 | 0 | 0 | 0 | 109.4 | P579 P603 Y614 C655 | P579-V611 HydrophobicContact CG-CG2 4.25Å; P603-V611 HydrophobicContact CG-CG2 3.85Å; V611-Y614 HydrophobicContact CG1-CE1 4.03Å; V611-Y614 HydrophobicContact CG1-CE2 3.92Å; V611-C655 HydrophobicContact CG1-CB 3.63Å |
| 612 | T | 93.6 | Very high | 91.6 | Very high | 89 Ų | 89 | 52 Ų | 52 | 55% | 0.546 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -38.2 | -176.3 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | E610 I656 | E610-T612 PolarHBondContact O-N 2.69Å; T612-I656 PolarHBondContact N-O 2.98Å; T612-I656 PolarHBondContact OG1-O 2.9Å |
| 613 | K | 94.6 | Very high | 90.9 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 158.1 | 174.8 | 68 | 176.2 | -169.7 | 169.5 | 0 | 113.2 | V615 S632 G633 C655 I656 | K613-V615 HydrophobicContact CD-CG2 4.38Å; K613-V615 HydrophobicContact CG-CG2 4.5Å; K613-S632 PolarHBondContact NZ-OG 2.94Å; K613-G633 WeakPolarHBondContact CA-O 3.31Å; K613-C655 CarbonylContact O-C 3.58Å; K613-C655 VanDerWaalsContact O-CA 3.3Å; K613-C655 WeakPolarHBondContact O-CA 3.46Å; K613-C655 WeakPolarHBondContact O-CB 3.33Å; K613-I656 HydrophobicContact CG-CB 4.4Å; K613-I656 HydrophobicContact CG-CD1 4.22Å; K613-I656 PolarHBondContact O-N 2.88Å |
| 614 | Y | 96.6 | Very high | 90.1 | Very high | 11 Ų | 11 | 53 Ų | 53 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 145.3 | 165.1 | -58 | -89 | 0 | 0 | 0 | 109.1 | W600 P602 V611 S632 G633 A635 L636 L653 Y654 C655 | W600-Y614 AromaticContact CD1-CD1 3.58Å; W600-Y614 AromaticContact CD1-CE1 3.86Å; W600-Y614 AromaticContact CD1-CG 3.9Å; W600-Y614 HydrophobicContact CZ2-CG 4.45Å; W600-Y614 AromaticContact NE1-CD1 3.3Å; W600-Y614 VanDerWaalsContact NE1-CD1 3.3Å; W600-Y614 AromaticContact NE1-CD2 3.54Å; W600-Y614 AromaticContact NE1-CE1 3.9Å; W600-Y614 AromaticContact NE1-CG 3.12Å; P602-Y614 WeakPolarHBondContact CA-OH 3.41Å; V611-Y614 HydrophobicContact CG1-CE1 4.03Å; V611-Y614 HydrophobicContact CG1-CE2 3.92Å; Y614-S632 WeakPolarHBondContact O-CA 3.44Å; Y614-G633 PolarHBondContact N-O 3.36Å; Y614-G633 PolarHBondContact O-N 2.96Å; Y614-A635 VanDerWaalsContact CD2-O 3.31Å; Y614-A635 WeakPolarHBondContact CD2-O 3.47Å; Y614-L636 HydrophobicContact CD2-CD2 4.23Å; Y614-L636 HydrophobicContact CE1-CD2 4.3Å; Y614-L636 HydrophobicContact CE2-CD2 3.53Å; Y614-L653 HydrophobicContact CD1-CD1 3.83Å; Y614-Y654 WeakPolarHBondContact CA-O 3.45Å; Y614-C655 HydrophobicContact CD1-CB 3.54Å; Y614-C655 HydrophobicContact CE1-CB 3.7Å; Y614-C655 HydrophobicContact CG-CB 4.3Å |
| 615 | V | 96.5 | Very high | 89.5 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 125.4 | 174.5 | -178 | 0 | 0 | 0 | 0 | 107.5 | K613 L629 Y631 L653 Y654 I656 | K613-V615 HydrophobicContact CD-CG2 4.38Å; K613-V615 HydrophobicContact CG-CG2 4.5Å; V615-L629 HydrophobicContact CG1-CD1 3.54Å; V615-Y631 CarbonylContact C-O 3.5Å; V615-Y631 WeakPolarHBondContact CA-O 3.42Å; V615-L653 CarbonylContact O-C 3.56Å; V615-L653 WeakPolarHBondContact O-CA 3.43Å; V615-L653 VanDerWaalsContact O-CB 3.3Å; V615-L653 WeakPolarHBondContact O-CB 3.43Å; V615-Y654 HydrophobicContact CB-CD1 4.12Å; V615-Y654 HydrophobicContact CB-CD2 4.18Å; V615-Y654 HydrophobicContact CB-CE1 3.71Å; V615-Y654 HydrophobicContact CB-CE2 3.79Å; V615-Y654 HydrophobicContact CB-CG 4.37Å; V615-Y654 HydrophobicContact CG1-CD1 4.43Å; V615-Y654 HydrophobicContact CG1-CE1 3.65Å; V615-Y654 HydrophobicContact CG1-CE2 4.37Å; V615-Y654 HydrophobicContact CG2-CD2 4.45Å; V615-Y654 HydrophobicContact CG2-CE2 3.84Å; V615-Y654 PolarHBondContact N-O 2.83Å; V615-Y654 PolarHBondContact O-N 3.43Å; V615-I656 HydrophobicContact CG2-CD1 4.24Å |
| 616 | V | 96.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.2 | -176.1 | -163.2 | 0 | 0 | 0 | 0 | 110.2 | M598 W600 V630 Y631 R652 L653 | M598-V616 HydrophobicContact CE-CB 4.29Å; M598-V616 HydrophobicContact CE-CG1 3.47Å; M598-V616 VanDerWaalsContact CE-CG1 3.47Å; M598-V616 HydrophobicContact SD-CG1 4.14Å; W600-V616 HydrophobicContact CE3-CG2 4.4Å; W600-V616 HydrophobicContact CH2-CG2 3.58Å; W600-V616 HydrophobicContact CZ2-CG2 3.93Å; W600-V616 HydrophobicContact CZ3-CG2 3.84Å; V616-V630 HydrophobicContact CB-CG2 4.12Å; V616-V630 HydrophobicContact CG1-CG2 4.19Å; V616-V630 WeakPolarHBondContact O-CG2 3.28Å; V616-V630 PolarHBondContact O-N 2.79Å; V616-Y631 HydrophobicContact CG2-CD1 4.11Å; V616-Y631 PolarHBondContact N-O 3.18Å; V616-Y631 PolarHBondContact O-N 2.94Å; V616-R652 WeakPolarHBondContact CG1-O 3.37Å; V616-L653 HydrophobicContact CB-CB 4.24Å; V616-L653 HydrophobicContact CG1-CB 4.13Å; V616-L653 HydrophobicContact CG2-CB 3.84Å |
| 617 | E | 95.2 | Very high | 89.5 | Confident | 38 Ų | 38 | 54.5 Ų | 54.5 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.3 | -177.3 | -62.8 | 176.4 | 169.8 | 0 | 0 | 110.2 | W627 G628 A651 R652 | E617-W627 HydrophobicContact CB-CB 4.25Å; E617-W627 HydrophobicContact CB-CE3 3.9Å; E617-G628 CarbonylContact C-O 3.5Å; E617-G628 VanDerWaalsContact CA-O 3.29Å; E617-G628 WeakPolarHBondContact CA-O 3.47Å; E617-A651 WeakPolarHBondContact O-CA 3.41Å; E617-R652 HydrophobicContact CB-CG 4.18Å; E617-R652 PolarHBondContact N-O 3.37Å; E617-R652 PolarHBondContact O-N 3.05Å; E617-R652 IonicContact OE2-CZ 2.7Å; E617-R652 IonicContact OE2-NE 2.66Å; E617-R652 PolarHBondContact OE2-NE 2.84Å; E617-R652 IonicContact OE2-NH2 2.84Å; E617-R652 PolarHBondContact OE2-NH2 2.79Å |
| 618 | L | 95.8 | Very high | 89.7 | Confident | 18 Ų | 18 | 56.3 Ų | 56.3 | 9% | 0.094 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.3 | 179.3 | -166.9 | 73.8 | 0 | 0 | 0 | 110.3 | F596 G628 V630 C640 L643 Y649 Q650 A651 | F596-L618 HydrophobicContact CE1-CD1 4.21Å; F596-L618 HydrophobicContact CZ-CD1 3.83Å; L618-G628 PolarHBondContact N-O 3.11Å; L618-G628 PolarHBondContact O-N 2.99Å; L618-V630 HydrophobicContact CB-CG1 3.6Å; L618-V630 HydrophobicContact CB-CG2 4.16Å; L618-V630 HydrophobicContact CD2-CG1 4.12Å; L618-C640 HydrophobicContact CD2-CB 4.33Å; L618-L643 HydrophobicContact CD2-CD2 3.66Å; L618-Y649 HydrophobicContact CD2-CD1 4.03Å; L618-Y649 HydrophobicContact CG-CD1 4.16Å; L618-Q650 CarbonylContact C-O 3.47Å; L618-Q650 WeakPolarHBondContact CA-O 3.49Å; L618-A651 HydrophobicContact CD1-CB 3.81Å |
| 619 | S | 93.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 136.6 | 168 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | L626 Y649 Q650 | S619-L626 WeakPolarHBondContact CA-O 3.19Å; S619-L626 VanDerWaalsContact CB-O 3.3Å; S619-L626 WeakPolarHBondContact CB-O 3.33Å; S619-L626 PolarHBondContact OG-O 2.64Å; S619-Y649 WeakPolarHBondContact O-CA 3.49Å; S619-Q650 PolarHBondContact N-O 3.44Å; S619-Q650 PolarHBondContact O-N 3.49Å |
| 620 | E | 90.7 | Very high | 90.4 | Very high | 93 Ų | 93 | 62.3 Ų | 62.3 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 142.8 | 163.7 | -171.7 | 175.1 | 162.5 | 0 | 0 | 109.6 | K644 Y649 | E620-K644 WeakPolarHBondContact OE1-CD 3.33Å; E620-K644 IonicContact OE1-NZ 3.2Å; E620-K644 PolarHBondContact OE1-NZ 2.88Å; E620-K644 IonicContact OE2-NZ 3.53Å; E620-K644 PolarHBondContact OE2-NZ 2.8Å; E620-Y649 HydrophobicContact CB-CD1 4.33Å; E620-Y649 HydrophobicContact CB-CE1 3.93Å; E620-Y649 HydrophobicContact CG-CE1 3.86Å |
| 621 | G | 85.1 | Confident | 90.7 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 26% | 0.258 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 75 | -168.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C648 | G621-C648 VanDerWaalsContact CA-O 3.24Å; G621-C648 WeakPolarHBondContact CA-O 3.34Å; G621-C648 PolarHBondContact N-O 2.95Å |
| 622 | L | 82.8 | Confident | 90.8 | Very high | 97 Ų | 97 | 57.6 Ų | 57.6 | 51% | 0.508 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -105 | 2.9 | 178.7 | -64.7 | 176.1 | 0 | 0 | 0 | 113.6 | C648 Q650 | L622-C648 HydrophobicContact CD1-CB 4.44Å; L622-C648 HydrophobicContact CD2-CB 3.81Å; L622-C648 HydrophobicContact CG-CB 3.82Å; L622-Q650 HydrophobicContact CD2-CG 4.32Å; L622-Q650 PolarHBondContact O-NE2 2.9Å |
| 623 | S | 75.3 | Confident | 90.9 | Very high | 79 Ų | 79 | 53.8 Ų | 53.8 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -81 | -22.8 | -172.2 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | L625 | S623-L625 PolarHBondContact O-N 2.83Å; S623-L625 VanDerWaalsContact O-N 3.16Å |
| 624 | G | 76.6 | Confident | 90.8 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | trans | 59.5 | 22.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | W627 | G624-W627 PolarHBondContact O-NE1 3.27Š| ||
| 625 | L | 78.8 | Confident | 90.7 | Very high | 142 Ų | 142 | 56.4 Ų | 56.4 | 74% | 0.743 | 33% | 0.332 | S | S | * | . | trans | -79.4 | -33 | -175.1 | -80.3 | 167.6 | 0 | 0 | 0 | 113.6 | S623 | S623-L625 PolarHBondContact O-N 2.83Å; S623-L625 VanDerWaalsContact O-N 3.16Å | ||
| 626 | L | 87.9 | Confident | 90.6 | Very high | 144 Ų | 144 | 59.5 Ų | 59.5 | 75% | 0.754 | 35% | 0.348 | S | S | * | . | trans | -135.2 | 116.2 | -175.9 | -67.3 | 175.5 | 0 | 0 | 0 | 109.5 | S619 | S619-L626 WeakPolarHBondContact CA-O 3.19Å; S619-L626 VanDerWaalsContact CB-O 3.3Å; S619-L626 WeakPolarHBondContact CB-O 3.33Å; S619-L626 PolarHBondContact OG-O 2.64Å | ||
| 627 | W | 93.1 | Very high | 90.6 | Very high | 62 Ų | 62 | 64 Ų | 64 | 24% | 0.235 | 37% | 0.369 | C | S | . | . | trans | -108.7 | 116.6 | -178.4 | -66 | 85.3 | 0 | 0 | 0 | 109.8 | E617 G624 Q650 R652 T667 | E617-W627 HydrophobicContact CB-CB 4.25Å; E617-W627 HydrophobicContact CB-CE3 3.9Å; G624-W627 PolarHBondContact O-NE1 3.27Å; W627-Q650 HydrophobicContact CH2-CB 3.7Å; W627-Q650 HydrophobicContact CZ3-CB 4.15Å; W627-Q650 VanDerWaalsContact CZ3-O 3.24Å; W627-Q650 WeakPolarHBondContact CZ3-O 3.33Å; W627-R652 VanDerWaalsContact CD2-CZ 3.44Å; W627-R652 VanDerWaalsContact CE2-CZ 3.44Å; W627-R652 HydrophobicContact CE3-CG 3.84Å; W627-R652 HydrophobicContact CH2-CB 4.46Å; W627-R652 HydrophobicContact CH2-CG 4.03Å; W627-R652 HydrophobicContact CZ3-CB 4.14Å; W627-R652 HydrophobicContact CZ3-CG 3.5Å; W627-T667 HydrophobicContact CH2-CG2 4.17Å | ||
| 628 | G | 92.4 | Very high | 90.6 | Very high | 38 Ų | 38 | 64.1 Ų | 64.1 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 138.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E617 L618 V630 | E617-G628 CarbonylContact C-O 3.5Å; E617-G628 VanDerWaalsContact CA-O 3.29Å; E617-G628 WeakPolarHBondContact CA-O 3.47Å; L618-G628 PolarHBondContact N-O 3.11Å; L618-G628 PolarHBondContact O-N 2.99Å; G628-V630 PolarHBondContact O-N 2.85Å |
| 629 | L | 94.8 | Very high | 90.6 | Very high | 118 Ų | 118 | 66.3 Ų | 66.3 | 62% | 0.618 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 119.8 | 170.4 | 174.4 | 63.6 | 0 | 0 | 0 | 109.7 | V615 Y631 | V615-L629 HydrophobicContact CG1-CD1 3.54Å; L629-Y631 VanDerWaalsContact CD1-O 3.27Å; L629-Y631 WeakPolarHBondContact CD1-O 3.33Å |
| 630 | V | 94.9 | Very high | 90.7 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 30% | 0.303 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -30.7 | 175.3 | -66 | 0 | 0 | 0 | 0 | 112.9 | M598 V616 L618 G628 H638 | M598-V630 HydrophobicContact CE-CG2 4.42Å; V616-V630 HydrophobicContact CB-CG2 4.12Å; V616-V630 HydrophobicContact CG1-CG2 4.19Å; V616-V630 WeakPolarHBondContact O-CG2 3.28Å; V616-V630 PolarHBondContact O-N 2.79Å; L618-V630 HydrophobicContact CB-CG1 3.6Å; L618-V630 HydrophobicContact CB-CG2 4.16Å; L618-V630 HydrophobicContact CD2-CG1 4.12Å; G628-V630 PolarHBondContact O-N 2.85Å; V630-H638 PolarHBondContact O-CE1 3.28Å; V630-H638 PolarHBondContact O-NE2 3.12Å |
| 631 | Y | 96.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 67.4 Ų | 67.4 | 18% | 0.18 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 142.2 | 178.4 | -174.2 | -104.6 | 0 | 0 | 0 | 113.1 | W600 V615 V616 L629 G633 A635 H638 | W600-Y631 AromaticContact CH2-CD1 3.86Å; W600-Y631 HydrophobicContact CH2-CD1 3.86Å; W600-Y631 HydrophobicContact CH2-CE1 4.26Å; W600-Y631 HydrophobicContact CH2-CG 4.46Å; W600-Y631 AromaticContact CZ2-CD1 3.89Å; W600-Y631 HydrophobicContact CZ2-CD1 3.89Å; W600-Y631 AromaticContact CZ2-CE1 3.98Å; W600-Y631 HydrophobicContact CZ2-CE1 3.98Å; V615-Y631 CarbonylContact C-O 3.5Å; V615-Y631 WeakPolarHBondContact CA-O 3.42Å; V616-Y631 HydrophobicContact CG2-CD1 4.11Å; V616-Y631 PolarHBondContact N-O 3.18Å; V616-Y631 PolarHBondContact O-N 2.94Å; L629-Y631 VanDerWaalsContact CD1-O 3.27Å; L629-Y631 WeakPolarHBondContact CD1-O 3.33Å; Y631-G633 VanDerWaalsContact CE1-N 3.33Å; Y631-G633 WeakPolarHBondContact CE1-O 3.45Å; Y631-G633 VanDerWaalsContact OH-C 3.25Å; Y631-G633 WeakPolarHBondContact OH-CA 3.47Å; Y631-A635 HydrophobicContact CE1-CB 4.37Å; Y631-A635 WeakPolarHBondContact OH-CB 3.44Å; Y631-A635 PolarHBondContact OH-N 3.23Å; Y631-H638 HydrophobicContact CD2-CB 4.26Å; Y631-H638 AromaticContact CD2-CG 3.96Å; Y631-H638 AromaticContact CD2-ND1 3.62Å; Y631-H638 HydrophobicContact CG-CB 4.18Å |
| 632 | S | 96.1 | Very high | 91 | Very high | 57 Ų | 57 | 69.9 Ų | 69.9 | 40% | 0.399 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 100.5 | 168.9 | 157.8 | 0 | 0 | 0 | 0 | 109.9 | K613 Y614 | K613-S632 PolarHBondContact NZ-OG 2.94Å; Y614-S632 WeakPolarHBondContact O-CA 3.44Å |
| 633 | G | 94.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 66 Ų | 66 | 9% | 0.093 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 180 | -176.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K613 Y614 Y631 | K613-G633 WeakPolarHBondContact CA-O 3.31Å; Y614-G633 PolarHBondContact N-O 3.36Å; Y614-G633 PolarHBondContact O-N 2.96Å; Y631-G633 VanDerWaalsContact CE1-N 3.33Å; Y631-G633 WeakPolarHBondContact CE1-O 3.45Å; Y631-G633 VanDerWaalsContact OH-C 3.25Å; Y631-G633 WeakPolarHBondContact OH-CA 3.47Å |
| 634 | P | 94.4 | Very high | 92.2 | Very high | 101 Ų | 101 | 67.2 Ų | 67.2 | 66% | 0.656 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -83.4 | -5.3 | -172.4 | 33.3 | -36.8 | 0 | 0 | 0 | 114.9 | ||
| 635 | A | 94.1 | Very high | 92.9 | Very high | 37 Ų | 37 | 68 Ų | 68 | 31% | 0.306 | 39% | 0.394 | S | S | . | . | trans | -70.1 | 160.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W600 Y614 Y631 | W600-A635 WeakPolarHBondContact CZ2-O 3.45Å; W600-A635 PolarHBondContact NE1-O 2.83Å; Y614-A635 VanDerWaalsContact CD2-O 3.31Å; Y614-A635 WeakPolarHBondContact CD2-O 3.47Å; Y631-A635 HydrophobicContact CE1-CB 4.37Å; Y631-A635 WeakPolarHBondContact OH-CB 3.44Å; Y631-A635 PolarHBondContact OH-N 3.23Å | ||
| 636 | L | 94.8 | Very high | 93.3 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 37% | 0.372 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -103.4 | 5.6 | 176.6 | -66.7 | 176.1 | 0 | 0 | 0 | 113.1 | A599 W600 P602 Y614 | A599-L636 CarbonylContact C-O 3.56Å; A599-L636 VanDerWaalsContact CA-O 3.23Å; A599-L636 WeakPolarHBondContact CA-O 3.22Å; A599-L636 WeakPolarHBondContact CB-O 3.44Å; W600-L636 PolarHBondContact N-O 3.33Å; P602-L636 HydrophobicContact CG-CD1 4.09Å; P602-L636 HydrophobicContact CG-CD2 4.07Å; Y614-L636 HydrophobicContact CD2-CD2 4.23Å; Y614-L636 HydrophobicContact CE1-CD2 4.3Å; Y614-L636 HydrophobicContact CE2-CD2 3.53Å |
| 637 | E | 95.6 | Very high | 93.5 | Very high | 94 Ų | 94 | 56.6 Ų | 56.6 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 152.3 | 176.6 | 52.5 | 164.4 | -138.3 | 0 | 0 | 111.8 | K597 M598 A599 | K597-E637 VanDerWaalsContact CE-OE1 3.26Å; K597-E637 WeakPolarHBondContact CE-OE1 3.17Å; K597-E637 WeakPolarHBondContact CE-OE2 3.49Å; K597-E637 IonicContact NZ-OE1 3.47Å; K597-E637 PolarHBondContact NZ-OE1 2.99Å; K597-E637 IonicContact NZ-OE2 2.75Å; K597-E637 PolarHBondContact NZ-OE2 3.18Å; M598-E637 VanDerWaalsContact O-CA 3.28Å; M598-E637 WeakPolarHBondContact O-CA 3.35Å; M598-E637 WeakPolarHBondContact O-CB 3.25Å; A599-E637 HydrophobicContact CB-CB 3.88Å |
| 638 | H | 95.9 | Very high | 93.4 | Very high | 42 Ų | 42 | 55.3 Ų | 55.3 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 151.9 | 178.4 | 174.7 | 66.9 | 0 | 0 | 0 | 110.3 | K597 M598 W600 V630 Y631 | K597-H638 WeakPolarHBondContact CA-O 3.45Å; M598-H638 HydrophobicContact CE-CB 4.48Å; M598-H638 PolarHBondContact N-O 3.04Å; M598-H638 PolarHBondContact O-N 3.39Å; W600-H638 HydrophobicContact CH2-CB 3.71Å; W600-H638 HydrophobicContact CZ3-CB 3.96Å; V630-H638 PolarHBondContact O-CE1 3.28Å; V630-H638 PolarHBondContact O-NE2 3.12Å; Y631-H638 HydrophobicContact CD2-CB 4.26Å; Y631-H638 AromaticContact CD2-CG 3.96Å; Y631-H638 AromaticContact CD2-ND1 3.62Å; Y631-H638 HydrophobicContact CG-CB 4.18Å |
| 639 | V | 96.1 | Very high | 93.5 | Very high | 63 Ų | 63 | 54 Ų | 54 | 38% | 0.382 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 116.2 | 171.7 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | F596 K597 | F596-V639 WeakPolarHBondContact O-CA 3.22Å; K597-V639 HydrophobicContact CB-CG2 4.02Å; K597-V639 HydrophobicContact CD-CG2 4.15Å; K597-V639 HydrophobicContact CG-CG2 3.82Å |
| 640 | C | 94 | Very high | 93.5 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 125.9 | 163.2 | -67.5 | 0 | 0 | 0 | 0 | 107.9 | S595 F596 M598 L618 L643 | S595-C640 CarbonylContact C-O 3.42Å; S595-C640 WeakPolarHBondContact CA-O 3.18Å; S595-C640 VanDerWaalsContact CB-O 3.23Å; S595-C640 WeakPolarHBondContact CB-O 3.49Å; F596-C640 HydrophobicContact CD1-CB 4.28Å; F596-C640 HydrophobicContact CE1-CB 3.87Å; F596-C640 HydrophobicContact CE2-CB 4.31Å; F596-C640 HydrophobicContact CZ-CB 3.89Å; F596-C640 PolarHBondContact N-O 2.76Å; F596-C640 PolarHBondContact O-N 3.08Å; M598-C640 WeakPolarHBondContact CE-SG 3.41Å; L618-C640 HydrophobicContact CD2-CB 4.33Å; C640-L643 HydrophobicContact CB-CD1 4.31Å |
| 641 | D | 93 | Very high | 93.5 | Very high | 117 Ų | 117 | 46.9 Ų | 46.9 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | trans | -125.3 | -176.3 | 176.5 | 57.3 | 7.5 | 0 | 0 | 0 | 111.1 | D594 L643 | D594-D641 CarbonylContact O-C 3.41Å; D594-D641 WeakPolarHBondContact O-CA 3.48Å; D641-L643 PolarHBondContact O-N 2.91Å | ||
| 642 | G | 89.4 | Confident | 93.4 | Very high | 76 Ų | 76 | 47.1 Ų | 47.1 | 78% | 0.784 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 66.9 | 17.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D594 | D594-G642 PolarHBondContact O-N 3.31Š|
| 643 | L | 92.8 | Very high | 93.4 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 159.5 | -176.6 | -48.8 | -179.9 | 0 | 0 | 0 | 111.7 | D594 F596 L618 C640 D641 Y649 T672 | D594-L643 WeakPolarHBondContact CA-O 3.11Å; D594-L643 VanDerWaalsContact O-CB 3.29Å; D594-L643 WeakPolarHBondContact O-CB 3.38Å; D594-L643 WeakPolarHBondContact O-CG 3.26Å; D594-L643 PolarHBondContact O-N 3.31Å; F596-L643 HydrophobicContact CD1-CD1 3.38Å; F596-L643 HydrophobicContact CE1-CD1 3.55Å; L618-L643 HydrophobicContact CD2-CD2 3.66Å; C640-L643 HydrophobicContact CB-CD1 4.31Å; D641-L643 PolarHBondContact O-N 2.91Å; L643-Y649 HydrophobicContact CB-CE2 3.91Å; L643-Y649 HydrophobicContact CD1-CD2 4.41Å; L643-Y649 HydrophobicContact CD1-CE2 4.4Å; L643-Y649 HydrophobicContact CD2-CD1 4.34Å; L643-Y649 HydrophobicContact CD2-CE1 3.99Å; L643-Y649 HydrophobicContact CD2-CE2 4.37Å; L643-Y649 HydrophobicContact CG-CE2 4.46Å; L643-T672 HydrophobicContact CB-CG2 4.13Å; L643-T672 HydrophobicContact CD1-CG2 3.99Å |
| 644 | K | 90.6 | Very high | 93.5 | Very high | 104 Ų | 104 | 45.8 Ų | 45.8 | 45% | 0.452 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 134.8 | 174.6 | -61.3 | 169.6 | -167.3 | 161.5 | 0 | 109.3 | P593 E620 C647 Y649 T672 | P593-K644 CarbonylContact O-C 3.56Å; E620-K644 WeakPolarHBondContact OE1-CD 3.33Å; E620-K644 IonicContact OE1-NZ 3.2Å; E620-K644 PolarHBondContact OE1-NZ 2.88Å; E620-K644 IonicContact OE2-NZ 3.53Å; E620-K644 PolarHBondContact OE2-NZ 2.8Å; K644-C647 HydrophobicContact CB-CB 4.23Å; K644-Y649 PolarHBondContact N-OH 3.42Å; K644-T672 PolarHBondContact O-OG1 2.9Å |
| 645 | P | 91.1 | Very high | 93.5 | Very high | 38 Ų | 38 | 41 Ų | 41 | 25% | 0.247 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 150 | 171.4 | -29.4 | 37.2 | 0 | 0 | 0 | 113.4 | P593 C647 V675 G705 G706 | P593-P645 HydrophobicContact CB-CB 4Å; P593-P645 HydrophobicContact CB-CG 3.84Å; P593-P645 VanDerWaalsContact O-CA 3.27Å; P593-P645 WeakPolarHBondContact O-CA 3.12Å; P645-C647 PolarHBondContact O-N 2.84Å; P645-C647 PolarHBondContact O-SG 3.48Å; P645-V675 HydrophobicContact CB-CG1 4.36Å; P645-V675 HydrophobicContact CB-CG2 3.99Å; P645-V675 HydrophobicContact CG-CG1 4.26Å; P645-V675 HydrophobicContact CG-CG2 3.98Å; P645-G705 WeakPolarHBondContact CB-O 3.39Å; P645-G706 VanDerWaalsContact O-CA 3.31Å; P645-G706 WeakPolarHBondContact O-CA 3.5Å |
| 646 | G | 88.4 | Confident | 93.5 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | -9.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q671 T672 P673 G706 | G646-Q671 WeakPolarHBondContact O-CG 3.41Å; G646-Q671 PolarHBondContact O-NE2 2.78Å; G646-T672 CarbonylContact C-O 3.56Å; G646-T672 WeakPolarHBondContact CA-O 3.39Å; G646-T672 PolarHBondContact N-O 2.85Å; G646-T672 PolarHBondContact N-OG1 3.23Å; G646-P673 PolarHBondContact N-O 2.7Å; G646-G706 WeakPolarHBondContact CA-O 3.24Å |
| 647 | C | 90.5 | Very high | 93.5 | Very high | 38 Ų | 38 | 38.1 Ų | 38.1 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | trans | -82.6 | 143.6 | -172.2 | -67.7 | 0 | 0 | 0 | 0 | 112 | K644 P645 Y649 Q671 T672 | K644-C647 HydrophobicContact CB-CB 4.23Å; P645-C647 PolarHBondContact O-N 2.84Å; P645-C647 PolarHBondContact O-SG 3.48Å; C647-Y649 HydrophobicContact CB-CD2 4.42Å; C647-Y649 HydrophobicContact CB-CE2 3.65Å; C647-Y649 WeakPolarHBondContact O-CD2 3.08Å; C647-Q671 WeakPolarHBondContact O-CA 3.36Å; C647-T672 PolarHBondContact N-OG1 2.85Å; C647-T672 PolarHBondContact O-N 3.5Å; C647-T672 PolarHBondContact O-OG1 2.98Å | ||
| 648 | C | 91.8 | Very high | 93.3 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 141.9 | 168.9 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | G621 L622 V670 | G621-C648 VanDerWaalsContact CA-O 3.24Å; G621-C648 WeakPolarHBondContact CA-O 3.34Å; G621-C648 PolarHBondContact N-O 2.95Å; L622-C648 HydrophobicContact CD1-CB 4.44Å; L622-C648 HydrophobicContact CD2-CB 3.81Å; L622-C648 HydrophobicContact CG-CB 3.82Å; C648-V670 CarbonylContact C-O 3.46Å; C648-V670 WeakPolarHBondContact CA-O 3.31Å |
| 649 | Y | 93.7 | Very high | 92.9 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.4 | 175 | -69.2 | -85.6 | 0 | 0 | 0 | 110.4 | L618 S619 E620 L643 K644 C647 V670 T672 | L618-Y649 HydrophobicContact CD2-CD1 4.03Å; L618-Y649 HydrophobicContact CG-CD1 4.16Å; S619-Y649 WeakPolarHBondContact O-CA 3.49Å; E620-Y649 HydrophobicContact CB-CD1 4.33Å; E620-Y649 HydrophobicContact CB-CE1 3.93Å; E620-Y649 HydrophobicContact CG-CE1 3.86Å; L643-Y649 HydrophobicContact CB-CE2 3.91Å; L643-Y649 HydrophobicContact CD1-CD2 4.41Å; L643-Y649 HydrophobicContact CD1-CE2 4.4Å; L643-Y649 HydrophobicContact CD2-CD1 4.34Å; L643-Y649 HydrophobicContact CD2-CE1 3.99Å; L643-Y649 HydrophobicContact CD2-CE2 4.37Å; L643-Y649 HydrophobicContact CG-CE2 4.46Å; K644-Y649 PolarHBondContact N-OH 3.42Å; C647-Y649 HydrophobicContact CB-CD2 4.42Å; C647-Y649 HydrophobicContact CB-CE2 3.65Å; C647-Y649 WeakPolarHBondContact O-CD2 3.08Å; Y649-V670 PolarHBondContact N-O 2.95Å; Y649-V670 PolarHBondContact O-N 3.15Å; Y649-T672 HydrophobicContact CD2-CG2 4.26Å; Y649-T672 HydrophobicContact CE2-CG2 4.12Å |
| 650 | Q | 94.8 | Very high | 92.6 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.5 | 173.9 | -70.7 | -174.8 | -12.5 | 0 | 0 | 109.5 | L618 S619 L622 W627 T667 L668 Q669 | L618-Q650 CarbonylContact C-O 3.47Å; L618-Q650 WeakPolarHBondContact CA-O 3.49Å; S619-Q650 PolarHBondContact N-O 3.44Å; S619-Q650 PolarHBondContact O-N 3.49Å; L622-Q650 HydrophobicContact CD2-CG 4.32Å; L622-Q650 PolarHBondContact O-NE2 2.9Å; W627-Q650 HydrophobicContact CH2-CB 3.7Å; W627-Q650 HydrophobicContact CZ3-CB 4.15Å; W627-Q650 VanDerWaalsContact CZ3-O 3.24Å; W627-Q650 WeakPolarHBondContact CZ3-O 3.33Å; Q650-T667 HydrophobicContact CB-CG2 3.66Å; Q650-T667 HydrophobicContact CG-CG2 3.96Å; Q650-L668 CarbonylContact C-O 3.5Å; Q650-L668 WeakPolarHBondContact CA-O 3.36Å; Q650-Q669 HydrophobicContact CG-CG 4.25Å |
| 651 | A | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F596 M598 E617 L618 T667 L668 | F596-A651 HydrophobicContact CZ-CB 4.42Å; M598-A651 HydrophobicContact SD-CB 4.06Å; E617-A651 WeakPolarHBondContact O-CA 3.41Å; L618-A651 HydrophobicContact CD1-CB 3.81Å; A651-T667 CarbonylContact O-C 3.19Å; A651-T667 WeakPolarHBondContact O-CA 3.32Å; A651-L668 HydrophobicContact CB-CB 4.35Å; A651-L668 PolarHBondContact N-O 3.06Å; A651-L668 PolarHBondContact O-N 2.91Å |
| 652 | R | 94.9 | Very high | 92.7 | Very high | 52 Ų | 52 | 37.9 Ų | 37.9 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 154.2 | 174.7 | 70.1 | -174.5 | -172.4 | -164.8 | -0 | 110 | V616 E617 W627 L664 | V616-R652 WeakPolarHBondContact CG1-O 3.37Å; E617-R652 HydrophobicContact CB-CG 4.18Å; E617-R652 PolarHBondContact N-O 3.37Å; E617-R652 PolarHBondContact O-N 3.05Å; E617-R652 IonicContact OE2-CZ 2.7Å; E617-R652 IonicContact OE2-NE 2.66Å; E617-R652 PolarHBondContact OE2-NE 2.84Å; E617-R652 IonicContact OE2-NH2 2.84Å; E617-R652 PolarHBondContact OE2-NH2 2.79Å; W627-R652 VanDerWaalsContact CD2-CZ 3.44Å; W627-R652 VanDerWaalsContact CE2-CZ 3.44Å; W627-R652 HydrophobicContact CE3-CG 3.84Å; W627-R652 HydrophobicContact CH2-CB 4.46Å; W627-R652 HydrophobicContact CH2-CG 4.03Å; W627-R652 HydrophobicContact CZ3-CB 4.14Å; W627-R652 HydrophobicContact CZ3-CG 3.5Å; R652-L664 HydrophobicContact CG-CD2 4.06Å |
| 653 | L | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 161.1 | 177 | 70.7 | 138.4 | 0 | 0 | 0 | 113.3 | P582 P585 W600 Y614 V615 V616 L664 S665 | P582-L653 HydrophobicContact CB-CD1 3.65Å; P582-L653 HydrophobicContact CB-CG 4.01Å; P582-L653 HydrophobicContact CG-CD1 3.83Å; P582-L653 HydrophobicContact CG-CG 4.16Å; P585-L653 HydrophobicContact CB-CD2 3.74Å; P585-L653 HydrophobicContact CG-CD2 3.56Å; W600-L653 HydrophobicContact CB-CD1 3.98Å; W600-L653 HydrophobicContact CB-CD2 3.94Å; W600-L653 HydrophobicContact CD2-CD1 3.94Å; W600-L653 HydrophobicContact CD2-CD2 4.42Å; W600-L653 HydrophobicContact CG-CD1 3.53Å; W600-L653 HydrophobicContact CG-CD2 4.16Å; Y614-L653 HydrophobicContact CD1-CD1 3.83Å; V615-L653 CarbonylContact O-C 3.56Å; V615-L653 WeakPolarHBondContact O-CA 3.43Å; V615-L653 VanDerWaalsContact O-CB 3.3Å; V615-L653 WeakPolarHBondContact O-CB 3.43Å; V616-L653 HydrophobicContact CB-CB 4.24Å; V616-L653 HydrophobicContact CG1-CB 4.13Å; V616-L653 HydrophobicContact CG2-CB 3.84Å; L653-L664 CarbonylContact O-C 3.55Å; L653-L664 WeakPolarHBondContact O-CA 3.47Å; L653-S665 PolarHBondContact N-OG 3.05Å; L653-S665 WeakPolarHBondContact O-CB 3.41Å; L653-S665 PolarHBondContact O-N 2.98Å; L653-S665 PolarHBondContact O-OG 3.41Å |
| 654 | Y | 95.9 | Very high | 93 | Very high | 37 Ų | 37 | 39.7 Ų | 39.7 | 15% | 0.145 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 174.3 | 162.9 | 62.6 | -88.7 | 0 | 0 | 0 | 109.6 | Y614 V615 I656 Q661 L664 | Y614-Y654 WeakPolarHBondContact CA-O 3.45Å; V615-Y654 HydrophobicContact CB-CD1 4.12Å; V615-Y654 HydrophobicContact CB-CD2 4.18Å; V615-Y654 HydrophobicContact CB-CE1 3.71Å; V615-Y654 HydrophobicContact CB-CE2 3.79Å; V615-Y654 HydrophobicContact CB-CG 4.37Å; V615-Y654 HydrophobicContact CG1-CD1 4.43Å; V615-Y654 HydrophobicContact CG1-CE1 3.65Å; V615-Y654 HydrophobicContact CG1-CE2 4.37Å; V615-Y654 HydrophobicContact CG2-CD2 4.45Å; V615-Y654 HydrophobicContact CG2-CE2 3.84Å; V615-Y654 PolarHBondContact N-O 2.83Å; V615-Y654 PolarHBondContact O-N 3.43Å; Y654-I656 HydrophobicContact CD2-CG1 4.32Å; Y654-I656 HydrophobicContact CE2-CD1 4Å; Y654-I656 HydrophobicContact CE2-CG1 4.16Å; Y654-Q661 VanDerWaalsContact CD2-CD 3.43Å; Y654-Q661 HydrophobicContact CD2-CG 3.57Å; Y654-Q661 VanDerWaalsContact CD2-NE2 3.33Å; Y654-Q661 HydrophobicContact CE2-CG 3.88Å; Y654-Q661 VanDerWaalsContact CE2-NE2 3.3Å; Y654-Q661 HydrophobicContact CG-CG 4.3Å; Y654-L664 HydrophobicContact CD1-CD2 3.71Å; Y654-L664 HydrophobicContact CG-CD2 4.39Å |
| 655 | C | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 163.3 | 175.6 | 69.8 | 0 | 0 | 0 | 0 | 111.8 | P582 V611 K613 Y614 Q661 S662 | P582-C655 HydrophobicContact CG-CB 4.32Å; V611-C655 HydrophobicContact CG1-CB 3.63Å; K613-C655 CarbonylContact O-C 3.58Å; K613-C655 VanDerWaalsContact O-CA 3.3Å; K613-C655 WeakPolarHBondContact O-CA 3.46Å; K613-C655 WeakPolarHBondContact O-CB 3.33Å; Y614-C655 HydrophobicContact CD1-CB 3.54Å; Y614-C655 HydrophobicContact CE1-CB 3.7Å; Y614-C655 HydrophobicContact CG-CB 4.3Å; C655-Q661 WeakPolarHBondContact O-CA 3.28Å; C655-S662 PolarHBondContact N-OG 2.88Å; C655-S662 PolarHBondContact O-N 2.97Å; C655-S662 PolarHBondContact O-OG 3.01Å; C655-S662 VanDerWaalsContact O-OG 3.11Å; C655-S662 PolarHBondContact SG-OG 2.94Å |
| 656 | I | 94.1 | Very high | 93.3 | Very high | 43 Ų | 43 | 40 Ų | 40 | 22% | 0.221 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.4 | -175.9 | -65.4 | 159.4 | 0 | 0 | 0 | 109 | T612 K613 V615 Y654 G660 Q661 | T612-I656 PolarHBondContact N-O 2.98Å; T612-I656 PolarHBondContact OG1-O 2.9Å; K613-I656 HydrophobicContact CG-CB 4.4Å; K613-I656 HydrophobicContact CG-CD1 4.22Å; K613-I656 PolarHBondContact O-N 2.88Å; V615-I656 HydrophobicContact CG2-CD1 4.24Å; Y654-I656 HydrophobicContact CD2-CG1 4.32Å; Y654-I656 HydrophobicContact CE2-CD1 4Å; Y654-I656 HydrophobicContact CE2-CG1 4.16Å; I656-G660 WeakPolarHBondContact CA-O 3.26Å; I656-Q661 HydrophobicContact CG1-CB 4.28Å |
| 657 | S | 94.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -177.5 | 163.2 | 72.2 | 0 | 0 | 0 | 0 | 110.1 | P579 E610 G659 G660 | P579-S657 WeakPolarHBondContact CD-OG 3.3Å; P579-S657 WeakPolarHBondContact CG-OG 3.31Å; E610-S657 WeakPolarHBondContact O-CA 3.35Å; E610-S657 WeakPolarHBondContact O-CB 3.44Å; S657-G659 PolarHBondContact O-N 2.84Å; S657-G659 PolarHBondContact OG-N 3.45Å; S657-G660 PolarHBondContact N-O 3.21Å; S657-G660 VanDerWaalsContact N-O 3.08Å; S657-G660 PolarHBondContact O-N 2.85Å |
| 658 | E | 91.3 | Very high | 93.7 | Very high | 161 Ų | 161 | 40.4 Ų | 40.4 | 75% | 0.752 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -33.4 | 171.5 | -171.1 | -174.3 | 155.1 | 0 | 0 | 112.7 | P576 A609 G660 | P576-E658 HydrophobicContact CG-CB 4.15Å; P576-E658 HydrophobicContact CG-CG 4.28Å; A609-E658 HydrophobicContact CB-CB 4.04Å; E658-G660 PolarHBondContact O-N 3.17Å |
| 659 | G | 87.4 | Confident | 93.9 | Very high | 28 Ų | 28 | 44 Ų | 44 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -3.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D577 R578 S657 | D577-G659 WeakPolarHBondContact O-CA 3.34Å; R578-G659 PolarHBondContact N-O 2.84Å; S657-G659 PolarHBondContact O-N 2.84Å; S657-G659 PolarHBondContact OG-N 3.45Å |
| 660 | G | 90.4 | Very high | 93.9 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 113.4 | -162.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P579 I656 S657 E658 | P579-G660 WeakPolarHBondContact CD-O 3.2Å; I656-G660 WeakPolarHBondContact CA-O 3.26Å; S657-G660 PolarHBondContact N-O 3.21Å; S657-G660 VanDerWaalsContact N-O 3.08Å; S657-G660 PolarHBondContact O-N 2.85Å; E658-G660 PolarHBondContact O-N 3.17Å |
| 661 | Q | 93.8 | Very high | 93.8 | Very high | 97 Ų | 97 | 48.4 Ų | 48.4 | 45% | 0.453 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 130.8 | -178.9 | 167.5 | 166.6 | -6.6 | 0 | 0 | 111.8 | R578 Y654 C655 I656 | R578-Q661 VanDerWaalsContact CD-O 3.25Å; R578-Q661 WeakPolarHBondContact CD-O 3.49Å; Y654-Q661 VanDerWaalsContact CD2-CD 3.43Å; Y654-Q661 HydrophobicContact CD2-CG 3.57Å; Y654-Q661 VanDerWaalsContact CD2-NE2 3.33Å; Y654-Q661 HydrophobicContact CE2-CG 3.88Å; Y654-Q661 VanDerWaalsContact CE2-NE2 3.3Å; Y654-Q661 HydrophobicContact CG-CG 4.3Å; C655-Q661 WeakPolarHBondContact O-CA 3.28Å; I656-Q661 HydrophobicContact CG1-CB 4.28Å |
| 662 | S | 95.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -75 | 160.1 | 171.1 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | P579 S580 C655 | P579-S662 WeakPolarHBondContact O-CA 3.49Å; P579-S662 WeakPolarHBondContact O-CB 3.19Å; S580-S662 VanDerWaalsContact O-CB 3.22Å; S580-S662 WeakPolarHBondContact O-CB 3.42Å; C655-S662 PolarHBondContact N-OG 2.88Å; C655-S662 PolarHBondContact O-N 2.97Å; C655-S662 PolarHBondContact O-OG 3.01Å; C655-S662 VanDerWaalsContact O-OG 3.11Å; C655-S662 PolarHBondContact SG-OG 2.94Å |
| 663 | P | 94.6 | Very high | 93.6 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 152.7 | 167.9 | -18.3 | 31.5 | 0 | 0 | 0 | 111.6 | C581 P582 | C581-P663 WeakPolarHBondContact CA-O 3.46Å; C581-P663 HydrophobicContact CB-CB 4.27Å; P582-P663 WeakPolarHBondContact CD-O 3.37Å |
| 664 | L | 93.8 | Very high | 93.3 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 37% | 0.372 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 146.3 | 175.5 | -70.6 | 162.4 | 0 | 0 | 0 | 111.8 | R652 L653 Y654 | R652-L664 HydrophobicContact CG-CD2 4.06Å; L653-L664 CarbonylContact O-C 3.55Å; L653-L664 WeakPolarHBondContact O-CA 3.47Å; Y654-L664 HydrophobicContact CD1-CD2 3.71Å; Y654-L664 HydrophobicContact CG-CD2 4.39Å |
| 665 | S | 95.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 163.7 | 169.2 | 74.8 | 0 | 0 | 0 | 0 | 111.2 | P582 L653 | P582-S665 WeakPolarHBondContact O-CB 3.47Å; L653-S665 PolarHBondContact N-OG 3.05Å; L653-S665 WeakPolarHBondContact O-CB 3.41Å; L653-S665 PolarHBondContact O-N 2.98Å; L653-S665 PolarHBondContact O-OG 3.41Å |
| 666 | E | 92.6 | Very high | 93.1 | Very high | 139 Ų | 139 | 52.3 Ų | 52.3 | 65% | 0.65 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 149.5 | 158.7 | -67.2 | -179.8 | -179.9 | 0 | 0 | 110.6 | R584 | R584-E666 HydrophobicContact CB-CB 3.95Å; R584-E666 WeakPolarHBondContact CD-OE2 3.46Å; R584-E666 HydrophobicContact CG-CB 3.84Å |
| 667 | T | 93.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 50.4 Ų | 50.4 | 28% | 0.282 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 123.8 | -179.8 | -61.4 | 0 | 0 | 0 | 0 | 111 | R584 W627 Q650 A651 Q669 | R584-T667 PolarHBondContact NE-O 3.45Å; R584-T667 PolarHBondContact NH2-O 3.32Å; W627-T667 HydrophobicContact CH2-CG2 4.17Å; Q650-T667 HydrophobicContact CB-CG2 3.66Å; Q650-T667 HydrophobicContact CG-CG2 3.96Å; A651-T667 CarbonylContact O-C 3.19Å; A651-T667 WeakPolarHBondContact O-CA 3.32Å; T667-Q669 HydrophobicContact CG2-CG 4.43Å |
| 668 | L | 94.5 | Very high | 92.9 | Very high | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126.8 | 162.4 | 170.9 | 63.3 | 0 | 0 | 0 | 108.4 | P585 I587 M598 Q650 A651 | P585-L668 HydrophobicContact CB-CD2 4.31Å; P585-L668 HydrophobicContact CG-CB 3.78Å; P585-L668 HydrophobicContact CG-CD2 4.22Å; I587-L668 HydrophobicContact CD1-CD2 3.83Å; I587-L668 HydrophobicContact CG1-CD1 4.31Å; I587-L668 HydrophobicContact CG1-CD2 4.22Å; M598-L668 HydrophobicContact CB-CD2 4.3Å; Q650-L668 CarbonylContact C-O 3.5Å; Q650-L668 WeakPolarHBondContact CA-O 3.36Å; A651-L668 HydrophobicContact CB-CB 4.35Å; A651-L668 PolarHBondContact N-O 3.06Å; A651-L668 PolarHBondContact O-N 2.91Å |
| 669 | Q | 94.9 | Very high | 92.9 | Very high | 109 Ų | 109 | 47.1 Ų | 47.1 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.7 | 168.5 | -59.1 | -166.4 | -17.4 | 0 | 0 | 108.1 | Q650 T667 | Q650-Q669 HydrophobicContact CG-CG 4.25Å; T667-Q669 HydrophobicContact CG2-CG 4.43Å |
| 670 | V | 93.8 | Very high | 93.2 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 144 | 177.6 | 62.8 | 0 | 0 | 0 | 0 | 109.1 | I587 V591 F596 C648 Y649 | I587-V670 HydrophobicContact CD1-CB 4.18Å; I587-V670 HydrophobicContact CD1-CG2 3.86Å; I587-V670 HydrophobicContact CG1-CG2 4.35Å; V591-V670 HydrophobicContact CG1-CG2 4.08Å; V591-V670 HydrophobicContact CG2-CG2 3.81Å; F596-V670 HydrophobicContact CD1-CG1 3.78Å; F596-V670 HydrophobicContact CD2-CG1 4.48Å; F596-V670 HydrophobicContact CE1-CG1 3.48Å; F596-V670 VanDerWaalsContact CE1-CG1 3.48Å; F596-V670 HydrophobicContact CE2-CG1 4.21Å; F596-V670 HydrophobicContact CG-CG1 4.3Å; F596-V670 HydrophobicContact CZ-CG1 3.72Å; C648-V670 CarbonylContact C-O 3.46Å; C648-V670 WeakPolarHBondContact CA-O 3.31Å; Y649-V670 PolarHBondContact N-O 2.95Å; Y649-V670 PolarHBondContact O-N 3.15Å |
| 671 | Q | 93.4 | Very high | 93.2 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.5 | 171.3 | -173.2 | 174.2 | 17.9 | 0 | 0 | 108.3 | G646 C647 | G646-Q671 WeakPolarHBondContact O-CG 3.41Å; G646-Q671 PolarHBondContact O-NE2 2.78Å; C647-Q671 WeakPolarHBondContact O-CA 3.36Å |
| 672 | T | 93.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 141.3 | 171.4 | 50.8 | 0 | 0 | 0 | 0 | 109.3 | V591 P593 L643 K644 G646 C647 Y649 | V591-T672 HydrophobicContact CG1-CG2 4.48Å; P593-T672 WeakPolarHBondContact O-CB 3.35Å; P593-T672 WeakPolarHBondContact O-CG2 3.18Å; L643-T672 HydrophobicContact CB-CG2 4.13Å; L643-T672 HydrophobicContact CD1-CG2 3.99Å; K644-T672 PolarHBondContact O-OG1 2.9Å; G646-T672 CarbonylContact C-O 3.56Å; G646-T672 WeakPolarHBondContact CA-O 3.39Å; G646-T672 PolarHBondContact N-O 2.85Å; G646-T672 PolarHBondContact N-OG1 3.23Å; C647-T672 PolarHBondContact N-OG1 2.85Å; C647-T672 PolarHBondContact O-N 3.5Å; C647-T672 PolarHBondContact O-OG1 2.98Å; Y649-T672 HydrophobicContact CD2-CG2 4.26Å; Y649-T672 HydrophobicContact CE2-CG2 4.12Å |
| 673 | P | 91.8 | Very high | 93 | Very high | 54 Ų | 54 | 48.1 Ų | 48.1 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 148.9 | 170.3 | 26.3 | -34 | 0 | 0 | 0 | 110.2 | Q592 P593 G646 | Q592-P673 WeakPolarHBondContact O-CD 3.37Å; P593-P673 HydrophobicContact CB-CG 4.41Å; P593-P673 HydrophobicContact CG-CG 4.03Å; G646-P673 PolarHBondContact N-O 2.7Å |
| 674 | A | 91.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -73 | 151.9 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | G705 K755 A756 | A674-G705 CarbonylContact C-O 3.53Å; A674-G705 VanDerWaalsContact CA-O 3.26Å; A674-G705 WeakPolarHBondContact CA-O 3.19Å; A674-G705 WeakPolarHBondContact CB-O 3.33Å; A674-K755 VanDerWaalsContact CB-CE 3.45Å; A674-K755 HydrophobicContact CB-CG 4.37Å; A674-A756 HydrophobicContact CB-CB 4.34Å; A674-A756 WeakPolarHBondContact O-CB 3.06Å |
| 675 | V | 93.1 | Very high | 92.9 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -99 | 162.9 | 165.3 | -66.4 | 0 | 0 | 0 | 0 | 109.5 | P593 P645 G705 N754 | P593-V675 HydrophobicContact CB-CG1 3.53Å; P593-V675 HydrophobicContact CG-CG1 3.52Å; P645-V675 HydrophobicContact CB-CG1 4.36Å; P645-V675 HydrophobicContact CB-CG2 3.99Å; P645-V675 HydrophobicContact CG-CG1 4.26Å; P645-V675 HydrophobicContact CG-CG2 3.98Å; V675-G705 PolarHBondContact N-O 3.47Å; V675-N754 PolarHBondContact O-ND2 3.35Å; V675-N754 PolarHBondContact O-OD1 3.24Å |
| 676 | P | 92.6 | Very high | 92.7 | Very high | 54 Ų | 54 | 53.1 Ų | 53.1 | 35% | 0.351 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 155.6 | 167.5 | -22.4 | 33.6 | 0 | 0 | 0 | 111.7 | A756 F758 | P676-A756 HydrophobicContact CG-CB 4.45Å; P676-F758 VanDerWaalsContact CB-O 3.25Å; P676-F758 WeakPolarHBondContact CB-O 3.47Å |
| 677 | P | 93.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 161.5 | -177.2 | -21.3 | 33.7 | 0 | 0 | 0 | 113.1 | P701 V709 A752 N754 G759 P760 | P677-P701 HydrophobicContact CB-CG 3.78Å; P677-V709 HydrophobicContact CB-CG2 4.21Å; P677-V709 HydrophobicContact CG-CG2 3.93Å; P677-A752 HydrophobicContact CB-CB 3.98Å; P677-A752 HydrophobicContact CG-CB 4.04Å; P677-N754 HydrophobicContact CG-CB 3.86Å; P677-G759 WeakPolarHBondContact O-CA 3.07Å; P677-P760 WeakPolarHBondContact O-CD 3.09Å |
| 678 | G | 90.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -66 | 170.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C680 P701 V703 | G678-C680 PolarHBondContact O-N 3.08Å; G678-P701 VanDerWaalsContact O-CB 3.31Å; G678-P701 WeakPolarHBondContact O-CB 3.31Å; G678-V703 PolarHBondContact N-O 2.84Å |
| 679 | P | 91.8 | Very high | 91.8 | Very high | 81 Ų | 81 | 58.1 Ų | 58.1 | 53% | 0.526 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 139.4 | 174.4 | 25.3 | -32.9 | 0 | 0 | 0 | 110.6 | P760 | P679-P760 HydrophobicContact CB-CG 3.97Å; P679-P760 HydrophobicContact CG-CG 4.36Å |
| 680 | C | 92.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 152.6 | 167.9 | -67.3 | 0 | 0 | 0 | 0 | 110.3 | G678 L750 S762 | G678-C680 PolarHBondContact O-N 3.08Å; C680-L750 HydrophobicContact CB-CD1 3.44Å; C680-L750 VanDerWaalsContact CB-CD1 3.44Å; C680-L750 HydrophobicContact CB-CG 4.03Å; C680-S762 WeakPolarHBondContact O-CB 3.42Å |
| 681 | L | 92.1 | Very high | 91 | Very high | 119 Ų | 119 | 58.6 Ų | 58.6 | 62% | 0.623 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 149.3 | 162.9 | -64.9 | 176.5 | 0 | 0 | 0 | 109.5 | ||
| 682 | P | 91.2 | Very high | 90.8 | Very high | 46 Ų | 46 | 61.3 Ų | 61.3 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 149 | 176.9 | -27.7 | 37.2 | 0 | 0 | 0 | 112.5 | E763 C765 | P682-E763 HydrophobicContact CG-CB 3.89Å; P682-C765 HydrophobicContact CB-CB 4.13Å |
| 683 | P | 93.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.019 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 140.1 | 177.9 | 27.1 | -29.7 | 0 | 0 | 0 | 109.9 | L696 W698 F748 L750 C765 | P683-L696 HydrophobicContact CB-CB 4.21Å; P683-L696 HydrophobicContact CB-CD1 4.46Å; P683-L696 HydrophobicContact CB-CD2 4.44Å; P683-W698 HydrophobicContact CB-CE3 4.36Å; P683-F748 HydrophobicContact CG-CB 3.89Å; P683-L750 HydrophobicContact CB-CD2 3.76Å; P683-L750 HydrophobicContact CG-CD2 4.01Å; P683-C765 HydrophobicContact CG-CB 3.87Å; P683-C765 WeakPolarHBondContact O-CB 3.38Å; P683-C765 PolarHBondContact O-SG 2.88Å |
| 684 | R | 92.7 | Very high | 90.8 | Very high | 138 Ų | 138 | 61.5 Ų | 61.5 | 52% | 0.521 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138.4 | 171.4 | 54.9 | 176.3 | -177 | -66.8 | 1.4 | 110.4 | L696 R697 W698 | R684-L696 WeakPolarHBondContact O-CA 3.38Å; R684-R697 HydrophobicContact CG-CB 4.48Å; R684-R697 WeakPolarHBondContact CG-O 3.43Å; R684-R697 PolarHBondContact N-O 2.85Å; R684-R697 PolarHBondContact O-N 3.34Å; R684-W698 PolarHBondContact NH1-O 3.3Å |
| 685 | L | 93.3 | Very high | 90.9 | Very high | 59 Ų | 59 | 64.8 Ų | 64.8 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 137 | 169.3 | 179.7 | 67.4 | 0 | 0 | 0 | 110.3 | P689 V694 V767 | L685-P689 HydrophobicContact CD1-CB 4.39Å; L685-P689 HydrophobicContact CD2-CB 4.09Å; L685-P689 HydrophobicContact CD2-CG 4.17Å; L685-V694 HydrophobicContact CD1-CB 4.04Å; L685-V694 HydrophobicContact CD1-CG1 4.42Å; L685-V767 HydrophobicContact CD1-CG1 4.06Å; L685-V767 HydrophobicContact CD2-CG1 4.17Å |
| 686 | V | 91.5 | Very high | 91 | Very high | 47 Ų | 47 | 62.5 Ų | 62.5 | 29% | 0.285 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -102.9 | 121.7 | 174.7 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | Q695 R697 | V686-Q695 HydrophobicContact CB-CB 3.99Å; V686-Q695 PolarHBondContact N-O 3.49Å; V686-R697 HydrophobicContact CG2-CB 3.52Å |
| 687 | G | 87.8 | Confident | 91.1 | Very high | 66 Ų | 66 | 65 Ų | 65 | 68% | 0.68 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 71.9 | -150.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 688 | K | 85.7 | Confident | 91.2 | Very high | 192 Ų | 192 | 65 Ų | 65 | 84% | 0.835 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -94.4 | 141.5 | 172.7 | -67.3 | -176.8 | 178.8 | -178.8 | 0 | 109.2 | ||
| 689 | P | 87 | Confident | 91.3 | Very high | 43 Ų | 43 | 65.4 Ų | 65.4 | 28% | 0.279 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 136.1 | -179.7 | 30.2 | -31.6 | 0 | 0 | 0 | 109.7 | L685 V694 T768 G770 | L685-P689 HydrophobicContact CD1-CB 4.39Å; L685-P689 HydrophobicContact CD2-CB 4.09Å; L685-P689 HydrophobicContact CD2-CG 4.17Å; P689-V694 HydrophobicContact CB-CG1 4.18Å; P689-T768 WeakPolarHBondContact CB-O 3.37Å; P689-T768 WeakPolarHBondContact CG-O 3.48Å; P689-G770 WeakPolarHBondContact O-CA 3.3Å |
| 690 | K | 88 | Confident | 91.3 | Very high | 103 Ų | 103 | 65.5 Ų | 65.5 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 169.3 | 175.3 | -48 | -175.6 | -159 | 165 | 0 | 109.7 | R692 E693 G770 | K690-R692 VanDerWaalsContact C-N 3.34Å; K690-R692 PolarHBondContact O-N 3.26Å; K690-E693 HydrophobicContact CB-CB 4.31Å; K690-E693 WeakPolarHBondContact CB-O 3.43Å; K690-E693 HydrophobicContact CD-CB 4.36Å; K690-E693 VanDerWaalsContact CD-OE2 3.31Å; K690-E693 WeakPolarHBondContact CD-OE2 3.16Å; K690-E693 WeakPolarHBondContact CE-OE2 3.45Å; K690-E693 PolarHBondContact N-O 3.35Å; K690-E693 VanDerWaalsContact N-O 3.08Å; K690-E693 IonicContact NZ-OE1 2.8Å; K690-E693 IonicContact NZ-OE2 2.66Å; K690-E693 PolarHBondContact NZ-OE2 3.14Å; K690-G770 PolarHBondContact O-N 2.85Å |
| 691 | A | 85.7 | Confident | 91.4 | Very high | 30 Ų | 30 | 65.8 Ų | 65.8 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -64.1 | -33 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P742 G770 | A691-P742 HydrophobicContact CB-CB 4.14Å; A691-P742 HydrophobicContact CB-CG 4.22Å; A691-P742 WeakPolarHBondContact O-CA 3.3Å; A691-P742 WeakPolarHBondContact O-CB 3.34Å; A691-P742 WeakPolarHBondContact O-CG 3.24Å; A691-G770 WeakPolarHBondContact CA-O 3.31Å |
| 692 | R | 88.3 | Confident | 91.3 | Very high | 165 Ų | 165 | 68.8 Ų | 68.8 | 62% | 0.623 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -130 | 12.6 | -177.2 | -61.1 | -168.9 | 171.6 | -174.5 | -4.5 | 114.4 | K690 G738 G739 L740 P742 | K690-R692 VanDerWaalsContact C-N 3.34Å; K690-R692 PolarHBondContact O-N 3.26Å; R692-G738 CarbonylContact O-C 3.57Å; R692-G738 WeakPolarHBondContact O-CA 3.47Å; R692-G739 PolarHBondContact O-N 2.94Å; R692-L740 WeakPolarHBondContact CA-O 3.28Å; R692-L740 WeakPolarHBondContact CB-O 3.25Å; R692-L740 WeakPolarHBondContact CG-O 3.32Å; R692-L740 PolarHBondContact O-N 3.46Å; R692-L740 VanDerWaalsContact O-N 3.1Å; R692-P742 HydrophobicContact CG-CG 4.2Å |
| 693 | E | 91.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 71 Ų | 71 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 136.7 | -171.3 | -175.2 | -170.2 | -174.4 | 0 | 0 | 110.5 | K690 S736 V737 | K690-E693 HydrophobicContact CB-CB 4.31Å; K690-E693 WeakPolarHBondContact CB-O 3.43Å; K690-E693 HydrophobicContact CD-CB 4.36Å; K690-E693 VanDerWaalsContact CD-OE2 3.31Å; K690-E693 WeakPolarHBondContact CD-OE2 3.16Å; K690-E693 WeakPolarHBondContact CE-OE2 3.45Å; K690-E693 PolarHBondContact N-O 3.35Å; K690-E693 VanDerWaalsContact N-O 3.08Å; K690-E693 IonicContact NZ-OE1 2.8Å; K690-E693 IonicContact NZ-OE2 2.66Å; K690-E693 PolarHBondContact NZ-OE2 3.14Å; E693-S736 VanDerWaalsContact CD-OG 3.28Å; E693-S736 VanDerWaalsContact CG-OG 3.26Å; E693-S736 WeakPolarHBondContact CG-OG 3.45Å; E693-S736 PolarHBondContact OE1-OG 2.82Å; E693-V737 WeakPolarHBondContact CA-O 3.23Å |
| 694 | V | 93.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.018 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.4 | 169.3 | -60 | 0 | 0 | 0 | 0 | 110.4 | L685 P689 L696 V737 L740 F748 V767 T769 | L685-V694 HydrophobicContact CD1-CB 4.04Å; L685-V694 HydrophobicContact CD1-CG1 4.42Å; P689-V694 HydrophobicContact CB-CG1 4.18Å; V694-L696 HydrophobicContact CG2-CD2 4.42Å; V694-L696 HydrophobicContact CG2-CG 4.3Å; V694-V737 HydrophobicContact CG2-CB 4.24Å; V694-V737 PolarHBondContact N-O 2.85Å; V694-V737 PolarHBondContact O-N 2.9Å; V694-L740 HydrophobicContact CB-CD1 4.44Å; V694-L740 HydrophobicContact CG1-CD1 4.07Å; V694-L740 HydrophobicContact CG2-CD1 3.76Å; V694-F748 HydrophobicContact CG2-CE1 4.36Å; V694-F748 HydrophobicContact CG2-CE2 3.99Å; V694-F748 HydrophobicContact CG2-CZ 3.59Å; V694-V767 HydrophobicContact CB-CG1 4.45Å; V694-V767 HydrophobicContact CG1-CG1 3.86Å; V694-T769 HydrophobicContact CG1-CG2 4.19Å |
| 695 | Q | 93.8 | Very high | 90.6 | Very high | 82 Ų | 82 | 67.6 Ų | 67.6 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124 | 174 | -74.4 | 179.3 | -11.7 | 0 | 0 | 109.1 | V686 C735 S736 | V686-Q695 HydrophobicContact CB-CB 3.99Å; V686-Q695 PolarHBondContact N-O 3.49Å; Q695-C735 WeakPolarHBondContact CA-O 3.34Å; Q695-S736 WeakPolarHBondContact CG-OG 3.36Å |
| 696 | L | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141.2 | -177.6 | -62.4 | 177.4 | 0 | 0 | 0 | 109.3 | P683 R684 V694 W698 V714 D734 C735 V737 F748 V767 | P683-L696 HydrophobicContact CB-CB 4.21Å; P683-L696 HydrophobicContact CB-CD1 4.46Å; P683-L696 HydrophobicContact CB-CD2 4.44Å; R684-L696 WeakPolarHBondContact O-CA 3.38Å; V694-L696 HydrophobicContact CG2-CD2 4.42Å; V694-L696 HydrophobicContact CG2-CG 4.3Å; L696-W698 HydrophobicContact CB-CZ3 4.23Å; L696-V714 HydrophobicContact CD1-CG1 4.49Å; L696-D734 CarbonylContact O-C 3.54Å; L696-D734 WeakPolarHBondContact O-CA 3.35Å; L696-D734 WeakPolarHBondContact O-CB 3.27Å; L696-C735 PolarHBondContact N-O 2.81Å; L696-C735 PolarHBondContact O-N 2.81Å; L696-V737 HydrophobicContact CD1-CG2 4.3Å; L696-F748 HydrophobicContact CD1-CB 4.07Å; L696-F748 HydrophobicContact CD1-CD1 3.4Å; L696-F748 VanDerWaalsContact CD1-CD1 3.4Å; L696-F748 HydrophobicContact CD1-CD2 4.13Å; L696-F748 HydrophobicContact CD1-CE1 3.76Å; L696-F748 HydrophobicContact CD1-CE2 4.45Å; L696-F748 HydrophobicContact CD1-CG 3.59Å; L696-F748 HydrophobicContact CD1-CZ 4.28Å; L696-V767 HydrophobicContact CD2-CG2 4.38Å |
| 697 | R | 95 | Very high | 90.1 | Very high | 106 Ų | 106 | 64 Ų | 64 | 40% | 0.4 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.5 | 173.3 | -173.4 | 173.6 | -77.8 | -175.9 | -4.8 | 109.8 | R684 V686 L733 D734 | R684-R697 HydrophobicContact CG-CB 4.48Å; R684-R697 WeakPolarHBondContact CG-O 3.43Å; R684-R697 PolarHBondContact N-O 2.85Å; R684-R697 PolarHBondContact O-N 3.34Å; V686-R697 HydrophobicContact CG2-CB 3.52Å; R697-L733 CarbonylContact C-O 3.5Å; R697-L733 VanDerWaalsContact CA-O 3.28Å; R697-L733 WeakPolarHBondContact CA-O 3.43Å; R697-L733 WeakPolarHBondContact CG-O 3.44Å; R697-D734 HydrophobicContact CB-CB 3.83Å; R697-D734 HydrophobicContact CG-CB 3.93Å; R697-D734 IonicContact CZ-OD2 2.77Å; R697-D734 IonicContact NE-OD2 3.33Å; R697-D734 PolarHBondContact NE-OD2 2.99Å; R697-D734 IonicContact NH2-OD2 2.61Å; R697-D734 PolarHBondContact NH2-OD2 3.23Å |
| 698 | W | 95.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | trans | -124.7 | -154.6 | 178.2 | 48.4 | 97.2 | 0 | 0 | 0 | 110.4 | P683 R684 L696 Y712 V714 Y728 E732 L733 C735 L750 | P683-W698 HydrophobicContact CB-CE3 4.36Å; R684-W698 PolarHBondContact NH1-O 3.3Å; L696-W698 HydrophobicContact CB-CZ3 4.23Å; W698-Y712 AromaticContact CD1-CD1 3.8Å; W698-Y712 AromaticContact CD1-CE1 3.95Å; W698-Y712 HydrophobicContact CZ2-CG 4.47Å; W698-Y712 AromaticContact NE1-CD1 3.44Å; W698-Y712 AromaticContact NE1-CD2 3.49Å; W698-Y712 AromaticContact NE1-CE1 3.89Å; W698-Y712 AromaticContact NE1-CE2 3.97Å; W698-Y712 AromaticContact NE1-CG 3.24Å; W698-V714 HydrophobicContact CE3-CG2 4.44Å; W698-V714 HydrophobicContact CH2-CG2 3.62Å; W698-V714 HydrophobicContact CZ2-CG2 4.08Å; W698-V714 HydrophobicContact CZ3-CG2 3.81Å; W698-Y728 AromaticContact CH2-CD1 3.98Å; W698-Y728 HydrophobicContact CH2-CD1 3.98Å; W698-Y728 HydrophobicContact CH2-CE1 4.1Å; W698-Y728 HydrophobicContact CZ2-CD1 4.1Å; W698-Y728 AromaticContact CZ2-CE1 3.91Å; W698-Y728 HydrophobicContact CZ2-CE1 3.91Å; W698-E732 WeakPolarHBondContact CZ2-O 3.34Å; W698-L733 PolarHBondContact N-O 2.87Å; W698-C735 HydrophobicContact CH2-CB 3.95Å; W698-C735 HydrophobicContact CZ3-CB 4.34Å; W698-L750 HydrophobicContact CB-CD1 4.36Å; W698-L750 HydrophobicContact CB-CD2 3.57Å; W698-L750 HydrophobicContact CD2-CD1 4.36Å; W698-L750 HydrophobicContact CD2-CD2 3.85Å; W698-L750 HydrophobicContact CE3-CD2 4.06Å; W698-L750 HydrophobicContact CG-CD1 3.93Å; W698-L750 HydrophobicContact CG-CD2 3.66Å; W698-L750 HydrophobicContact CG-CG 4.48Å | ||
| 699 | G | 92.6 | Very high | 90.5 | Very high | 24 Ų | 24 | 58 Ų | 58 | 25% | 0.247 | 31% | 0.308 | C | S | . | . | trans | -147.4 | 168.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 700 | P | 92.2 | Very high | 90.7 | Very high | 84 Ų | 84 | 59.1 Ų | 59.1 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | trans | -61.1 | 153.9 | 171.8 | 27.8 | -34.9 | 0 | 0 | 0 | 111.1 | Y712 | P700-Y712 WeakPolarHBondContact CA-OH 3.45Š| ||
| 701 | P | 93 | Very high | 91 | Very high | 12 Ų | 12 | 57.8 Ų | 57.8 | 8% | 0.078 | 31% | 0.309 | C | S | . | . | trans | -63.6 | 150.7 | 171.5 | 29.3 | -34.4 | 0 | 0 | 0 | 110.5 | P677 G678 V703 V709 A752 | P677-P701 HydrophobicContact CB-CG 3.78Å; G678-P701 VanDerWaalsContact O-CB 3.31Å; G678-P701 WeakPolarHBondContact O-CB 3.31Å; P701-V703 PolarHBondContact O-N 3.48Å; P701-V709 HydrophobicContact CG-CG2 3.89Å; P701-A752 HydrophobicContact CG-CB 3.99Å | ||
| 702 | Q | 90.1 | Very high | 91.5 | Very high | 182 Ų | 182 | 57 Ų | 57 | 85% | 0.85 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -65.1 | -23.1 | 179.9 | -68.6 | -175.1 | -7.6 | 0 | 0 | 113.5 | ||
| 703 | V | 89 | Confident | 91.9 | Very high | 92 Ų | 92 | 49.2 Ų | 49.2 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | trans | -125.2 | 116.7 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | G678 P701 G705 | G678-V703 PolarHBondContact N-O 2.84Å; P701-V703 PolarHBondContact O-N 3.48Å; V703-G705 VanDerWaalsContact C-N 3.32Å | ||
| 704 | D | 88 | Confident | 92.1 | Very high | 67 Ų | 67 | 46.5 Ų | 46.5 | 36% | 0.358 | 26% | 0.258 | S | S | . | . | trans | -79.3 | -16.5 | -178.9 | 77.5 | -27.7 | 0 | 0 | 0 | 112.9 | G706 S707 N754 | D704-G706 PolarHBondContact OD1-N 2.93Å; D704-S707 WeakPolarHBondContact CB-O 3.11Å; D704-S707 VanDerWaalsContact O-O 3.09Å; D704-S707 PolarHBondContact OD2-N 2.66Å; D704-S707 VanDerWaalsContact OD2-N 3.12Å; D704-S707 VanDerWaalsContact OD2-O 3.1Å; D704-N754 PolarHBondContact O-ND2 3.47Å | ||
| 705 | G | 87 | Confident | 92.1 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | trans | 86.9 | 14.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P645 A674 V675 V703 | P645-G705 WeakPolarHBondContact CB-O 3.39Å; A674-G705 CarbonylContact C-O 3.53Å; A674-G705 VanDerWaalsContact CA-O 3.26Å; A674-G705 WeakPolarHBondContact CA-O 3.19Å; A674-G705 WeakPolarHBondContact CB-O 3.33Å; V675-G705 PolarHBondContact N-O 3.47Å; V703-G705 VanDerWaalsContact C-N 3.32Å | ||
| 706 | G | 84.3 | Confident | 92.1 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 22% | 0.216 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 83 | 25.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P645 G646 D704 | P645-G706 VanDerWaalsContact O-CA 3.31Å; P645-G706 WeakPolarHBondContact O-CA 3.5Å; G646-G706 WeakPolarHBondContact CA-O 3.24Å; D704-G706 PolarHBondContact OD1-N 2.93Å |
| 707 | S | 88.8 | Confident | 92 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -161.1 | 134.9 | 175 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | D704 V709 K755 | D704-S707 WeakPolarHBondContact CB-O 3.11Å; D704-S707 VanDerWaalsContact O-O 3.09Å; D704-S707 PolarHBondContact OD2-N 2.66Å; D704-S707 VanDerWaalsContact OD2-N 3.12Å; D704-S707 VanDerWaalsContact OD2-O 3.1Å; S707-V709 PolarHBondContact O-N 3.38Å; S707-K755 VanDerWaalsContact OG-CD 3.32Å; S707-K755 WeakPolarHBondContact OG-CD 3.45Å; S707-K755 WeakPolarHBondContact OG-CG 3.46Å |
| 708 | P | 89.3 | Confident | 91.6 | Very high | 99 Ų | 99 | 41 Ų | 41 | 64% | 0.643 | 25% | 0.246 | S | C | * | . | trans | -54.4 | 141.9 | 174 | 24.4 | -34.7 | 0 | 0 | 0 | 110.7 | S710 N754 | P708-S710 PolarHBondContact O-N 3.08Å; P708-N754 WeakPolarHBondContact O-CB 3.42Å | ||
| 709 | V | 92.9 | Very high | 90.9 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 21% | 0.212 | 26% | 0.264 | C | S | . | . | trans | -67.4 | 126.8 | 175.1 | 176 | 0 | 0 | 0 | 0 | 108.8 | P677 P701 S707 Y712 A752 A753 | P677-V709 HydrophobicContact CB-CG2 4.21Å; P677-V709 HydrophobicContact CG-CG2 3.93Å; P701-V709 HydrophobicContact CG-CG2 3.89Å; S707-V709 PolarHBondContact O-N 3.38Å; V709-Y712 HydrophobicContact CG1-CD1 4.49Å; V709-Y712 HydrophobicContact CG1-CE1 3.91Å; V709-Y712 HydrophobicContact CG1-CE2 4.15Å; V709-A752 HydrophobicContact CG1-CB 3.8Å; V709-A752 HydrophobicContact CG2-CB 4.2Å; V709-A753 CarbonylContact C-O 3.58Å; V709-A753 WeakPolarHBondContact CG1-O 3.31Å | ||
| 710 | S | 92.2 | Very high | 90 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | trans | -86.2 | -41.5 | -177.8 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | P708 A753 | P708-S710 PolarHBondContact O-N 3.08Å; S710-A753 PolarHBondContact N-O 2.88Å | ||
| 711 | Y | 94.2 | Very high | 89.2 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 169 | -179.4 | 63.5 | -90.4 | 0 | 0 | 0 | 111.9 | Q729 G730 A753 F758 | Y711-Q729 HydrophobicContact CD2-CG 3.92Å; Y711-Q729 HydrophobicContact CE2-CG 4.1Å; Y711-Q729 VanDerWaalsContact CE2-NE2 3.33Å; Y711-G730 CarbonylContact C-O 3.55Å; Y711-G730 WeakPolarHBondContact CA-O 3.45Å; Y711-G730 WeakPolarHBondContact CB-O 3.29Å; Y711-A753 HydrophobicContact CD1-CB 4.2Å; Y711-A753 HydrophobicContact CD2-CB 4.03Å; Y711-A753 HydrophobicContact CE1-CB 3.82Å; Y711-A753 HydrophobicContact CE2-CB 3.63Å; Y711-A753 HydrophobicContact CG-CB 4.3Å; Y711-A753 PolarHBondContact N-O 2.97Å; Y711-A753 PolarHBondContact O-N 3.35Å; Y711-F758 HydrophobicContact CD2-CE1 4.48Å; Y711-F758 AromaticContact CE2-CE1 3.62Å; Y711-F758 HydrophobicContact CE2-CE1 3.62Å; Y711-F758 AromaticContact CE2-CZ 3.6Å; Y711-F758 HydrophobicContact CE2-CZ 3.6Å |
| 712 | Y | 96.2 | Very high | 88.4 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 6% | 0.059 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 154.8 | 174.6 | -55.1 | -89.5 | 0 | 0 | 0 | 109.9 | W698 P700 V709 Q729 G730 E732 L733 L750 K751 A752 | W698-Y712 AromaticContact CD1-CD1 3.8Å; W698-Y712 AromaticContact CD1-CE1 3.95Å; W698-Y712 HydrophobicContact CZ2-CG 4.47Å; W698-Y712 AromaticContact NE1-CD1 3.44Å; W698-Y712 AromaticContact NE1-CD2 3.49Å; W698-Y712 AromaticContact NE1-CE1 3.89Å; W698-Y712 AromaticContact NE1-CE2 3.97Å; W698-Y712 AromaticContact NE1-CG 3.24Å; P700-Y712 WeakPolarHBondContact CA-OH 3.45Å; V709-Y712 HydrophobicContact CG1-CD1 4.49Å; V709-Y712 HydrophobicContact CG1-CE1 3.91Å; V709-Y712 HydrophobicContact CG1-CE2 4.15Å; Y712-Q729 WeakPolarHBondContact O-CA 3.36Å; Y712-G730 PolarHBondContact N-O 2.64Å; Y712-G730 PolarHBondContact O-N 3.02Å; Y712-E732 WeakPolarHBondContact CD2-O 3.48Å; Y712-L733 HydrophobicContact CD2-CD2 4.39Å; Y712-L733 HydrophobicContact CE1-CD2 4.36Å; Y712-L733 HydrophobicContact CE2-CD2 3.58Å; Y712-L750 HydrophobicContact CD1-CD1 3.97Å; Y712-K751 CarbonylContact C-O 3.56Å; Y712-K751 WeakPolarHBondContact CA-O 3.29Å; Y712-A752 HydrophobicContact CD1-CB 3.92Å; Y712-A752 HydrophobicContact CE1-CB 3.87Å |
| 713 | S | 95.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.5 | 167.5 | 157.7 | 0 | 0 | 0 | 0 | 108.6 | E726 Y728 L750 K751 | S713-E726 VanDerWaalsContact CB-OE2 3.24Å; S713-E726 WeakPolarHBondContact CB-OE2 3.47Å; S713-E726 PolarHBondContact OG-OE2 2.95Å; S713-Y728 CarbonylContact C-O 3.47Å; S713-Y728 WeakPolarHBondContact CA-O 3.33Å; S713-L750 CarbonylContact O-C 3.49Å; S713-L750 WeakPolarHBondContact O-CA 3.34Å; S713-L750 WeakPolarHBondContact O-CB 3.27Å; S713-K751 PolarHBondContact N-O 3.19Å; S713-K751 PolarHBondContact O-N 3.12Å; S713-K751 WeakPolarHBondContact OG-CE 3.34Å |
| 714 | V | 95.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.5 | 177.1 | -173 | 0 | 0 | 0 | 0 | 109.3 | L696 W698 E726 V727 Y728 F748 R749 L750 | L696-V714 HydrophobicContact CD1-CG1 4.49Å; W698-V714 HydrophobicContact CE3-CG2 4.44Å; W698-V714 HydrophobicContact CH2-CG2 3.62Å; W698-V714 HydrophobicContact CZ2-CG2 4.08Å; W698-V714 HydrophobicContact CZ3-CG2 3.81Å; V714-E726 WeakPolarHBondContact O-CA 3.25Å; V714-V727 HydrophobicContact CB-CG2 4.31Å; V714-V727 HydrophobicContact CG1-CG2 4.16Å; V714-V727 WeakPolarHBondContact O-CG2 3.43Å; V714-V727 PolarHBondContact O-N 2.63Å; V714-Y728 HydrophobicContact CG2-CD1 4.14Å; V714-Y728 PolarHBondContact N-O 2.9Å; V714-Y728 PolarHBondContact O-N 2.98Å; V714-F748 HydrophobicContact CG1-CD1 4.43Å; V714-R749 WeakPolarHBondContact CA-O 3.18Å; V714-L750 HydrophobicContact CB-CB 4.43Å; V714-L750 HydrophobicContact CG2-CB 3.93Å |
| 715 | E | 94.5 | Very high | 88.2 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 9% | 0.093 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 139.8 | 176.5 | -68.5 | 177.6 | -152.3 | 0 | 0 | 111.1 | S724 R725 F748 R749 K751 | E715-S724 VanDerWaalsContact OE2-CB 3.25Å; E715-S724 WeakPolarHBondContact OE2-CB 3.38Å; E715-S724 PolarHBondContact OE2-OG 2.96Å; E715-R725 CarbonylContact C-O 3.52Å; E715-R725 VanDerWaalsContact CA-O 3.31Å; E715-R725 WeakPolarHBondContact CA-O 3.32Å; E715-F748 WeakPolarHBondContact O-CA 3.47Å; E715-R749 PolarHBondContact N-O 2.83Å; E715-R749 PolarHBondContact O-N 2.85Å; E715-R749 IonicContact OE2-NH2 3.39Å; E715-K751 IonicContact OE1-NZ 2.69Å; E715-K751 PolarHBondContact OE1-NZ 3.16Å |
| 716 | I | 94.1 | Very high | 88.5 | Confident | 20 Ų | 20 | 63.2 Ų | 63.2 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.8 | 170.2 | -161.3 | 176.3 | 0 | 0 | 0 | 110.5 | S724 R725 V727 V737 L740 Y746 S747 F748 | I716-S724 CarbonylContact O-C 3.48Å; I716-S724 VanDerWaalsContact O-CA 3.28Å; I716-S724 WeakPolarHBondContact O-CA 3.37Å; I716-R725 PolarHBondContact N-O 2.81Å; I716-R725 PolarHBondContact O-N 2.91Å; I716-V727 HydrophobicContact CB-CG1 4.07Å; I716-V727 HydrophobicContact CB-CG2 4.25Å; I716-V727 HydrophobicContact CG2-CG1 3.46Å; I716-V727 VanDerWaalsContact CG2-CG1 3.46Å; I716-V737 HydrophobicContact CD1-CG1 4.3Å; I716-L740 HydrophobicContact CD1-CD2 3.49Å; I716-L740 VanDerWaalsContact CD1-CD2 3.49Å; I716-Y746 HydrophobicContact CD1-CD1 3.41Å; I716-Y746 VanDerWaalsContact CD1-CD1 3.41Å; I716-Y746 HydrophobicContact CD1-CE1 4.1Å; I716-Y746 HydrophobicContact CD1-CG 3.86Å; I716-Y746 HydrophobicContact CG1-CD1 3.89Å; I716-Y746 HydrophobicContact CG1-CG 4.37Å; I716-S747 CarbonylContact C-O 3.57Å; I716-S747 WeakPolarHBondContact CA-O 3.41Å; I716-F748 HydrophobicContact CB-CD1 4.11Å; I716-F748 HydrophobicContact CB-CE1 3.92Å; I716-F748 HydrophobicContact CD1-CD1 4.35Å; I716-F748 HydrophobicContact CD1-CE1 3.42Å; I716-F748 VanDerWaalsContact CD1-CE1 3.42Å; I716-F748 HydrophobicContact CD1-CE2 4.46Å; I716-F748 HydrophobicContact CD1-CZ 3.48Å; I716-F748 VanDerWaalsContact CD1-CZ 3.48Å; I716-F748 HydrophobicContact CG1-CD1 3.9Å; I716-F748 HydrophobicContact CG1-CE1 3.46Å; I716-F748 VanDerWaalsContact CG1-CE1 3.46Å; I716-F748 HydrophobicContact CG1-CE2 4.5Å; I716-F748 HydrophobicContact CG1-CZ 3.8Å |
| 717 | S | 92.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 143.2 | 162.6 | -65.5 | 0 | 0 | 0 | 0 | 109.7 | E722 S724 S747 | S717-E722 PolarHBondContact OG-O 3.16Å; S717-S724 WeakPolarHBondContact OG-CB 3.31Å; S717-S747 PolarHBondContact N-O 3.1Å; S717-S747 PolarHBondContact O-N 2.99Å; S717-S747 VanDerWaalsContact O-N 3.17Å |
| 718 | G | 86.9 | Confident | 89.2 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 166 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q720 S721 | G718-Q720 PolarHBondContact O-N 2.78Å; G718-S721 PolarHBondContact N-O 2.84Å; G718-S721 VanDerWaalsContact N-O 3.16Å; G718-S721 PolarHBondContact O-N 3.34Å; G718-S721 VanDerWaalsContact O-O 3.14Å |
| 719 | P | 79.1 | Confident | 89.4 | Confident | 63 Ų | 63 | 66.8 Ų | 66.8 | 41% | 0.409 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.6 | -178.3 | 25.2 | -36.5 | 0 | 0 | 0 | 115.3 | K744 T745 | P719-K744 HydrophobicContact CB-CB 4.16Å; P719-K744 HydrophobicContact CG-CB 4.09Å; P719-K744 HydrophobicContact CG-CG 4.41Å; P719-T745 WeakPolarHBondContact CA-O 3.36Å; P719-T745 WeakPolarHBondContact CB-O 3.47Å |
| 720 | Q | 74.9 | Confident | 89.4 | Confident | 199 Ų | 199 | 66 Ų | 66 | 93% | 0.93 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.1 | 13.3 | 179.8 | -66.9 | -173.6 | -28.9 | 0 | 0 | 112.9 | G718 | G718-Q720 PolarHBondContact O-N 2.78Š|
| 721 | S | 75.8 | Confident | 89.4 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 33% | 0.329 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 128 | 175.2 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | G718 E723 | G718-S721 PolarHBondContact N-O 2.84Å; G718-S721 VanDerWaalsContact N-O 3.16Å; G718-S721 PolarHBondContact O-N 3.34Å; G718-S721 VanDerWaalsContact O-O 3.14Å; S721-E723 PolarHBondContact O-N 2.67Å; S721-E723 WeakPolarHBondContact OG-CB 3.38Å; S721-E723 WeakPolarHBondContact OG-CG 3.26Å; S721-E723 PolarHBondContact OG-N 2.82Å; S721-E723 PolarHBondContact OG-OE2 3.06Å |
| 722 | E | 75.9 | Confident | 89.4 | Confident | 139 Ų | 139 | 69.2 Ų | 69.2 | 65% | 0.65 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -12.6 | 172.7 | -71.4 | -142.9 | 108.8 | 0 | 0 | 112.9 | S717 S724 R764 | S717-E722 PolarHBondContact OG-O 3.16Å; E722-S724 PolarHBondContact O-N 3.16Å; E722-R764 IonicContact OE1-CZ 3.57Å; E722-R764 VanDerWaalsContact OE1-CZ 3.27Å; E722-R764 IonicContact OE1-NH1 2.77Å; E722-R764 PolarHBondContact OE1-NH1 3.01Å; E722-R764 IonicContact OE1-NH2 3.48Å; E722-R764 PolarHBondContact OE1-NH2 2.82Å |
| 723 | E | 84.1 | Confident | 89.2 | Confident | 162 Ų | 162 | 71.6 Ų | 71.6 | 76% | 0.757 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 124.5 | 173.6 | -64.1 | 178.2 | 138.7 | 0 | 0 | 109.8 | S721 | S721-E723 PolarHBondContact O-N 2.67Å; S721-E723 WeakPolarHBondContact OG-CB 3.38Å; S721-E723 WeakPolarHBondContact OG-CG 3.26Å; S721-E723 PolarHBondContact OG-N 2.82Å; S721-E723 PolarHBondContact OG-OE2 3.06Å |
| 724 | S | 88 | Confident | 89.2 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 36% | 0.357 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136.4 | 177.7 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | E715 I716 S717 E722 R749 | E715-S724 VanDerWaalsContact OE2-CB 3.25Å; E715-S724 WeakPolarHBondContact OE2-CB 3.38Å; E715-S724 PolarHBondContact OE2-OG 2.96Å; I716-S724 CarbonylContact O-C 3.48Å; I716-S724 VanDerWaalsContact O-CA 3.28Å; I716-S724 WeakPolarHBondContact O-CA 3.37Å; S717-S724 WeakPolarHBondContact OG-CB 3.31Å; E722-S724 PolarHBondContact O-N 3.16Å; S724-R749 PolarHBondContact OG-NH2 3.17Å; S724-R749 VanDerWaalsContact OG-NH2 3.12Å |
| 725 | R | 90.6 | Very high | 89.1 | Confident | 190 Ų | 190 | 75.1 Ų | 75.1 | 72% | 0.717 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.1 | 177.6 | 170.4 | 174.9 | 171.3 | 175 | 0.2 | 109.9 | E715 I716 | E715-R725 CarbonylContact C-O 3.52Å; E715-R725 VanDerWaalsContact CA-O 3.31Å; E715-R725 WeakPolarHBondContact CA-O 3.32Å; I716-R725 PolarHBondContact N-O 2.81Å; I716-R725 PolarHBondContact O-N 2.91Å |
| 726 | E | 93.7 | Very high | 89 | Confident | 83 Ų | 83 | 76.9 Ų | 76.9 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 131.7 | 171.8 | -168.2 | 170.1 | 76.8 | 0 | 0 | 111.3 | S713 V714 | S713-E726 VanDerWaalsContact CB-OE2 3.24Å; S713-E726 WeakPolarHBondContact CB-OE2 3.47Å; S713-E726 PolarHBondContact OG-OE2 2.95Å; V714-E726 WeakPolarHBondContact O-CA 3.25Å |
| 727 | V | 92.7 | Very high | 89 | Confident | 56 Ų | 56 | 76.4 Ų | 76.4 | 34% | 0.339 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | -13.5 | -179.6 | -72.2 | 0 | 0 | 0 | 0 | 113.6 | V714 I716 V737 | V714-V727 HydrophobicContact CB-CG2 4.31Å; V714-V727 HydrophobicContact CG1-CG2 4.16Å; V714-V727 WeakPolarHBondContact O-CG2 3.43Å; V714-V727 PolarHBondContact O-N 2.63Å; I716-V727 HydrophobicContact CB-CG1 4.07Å; I716-V727 HydrophobicContact CB-CG2 4.25Å; I716-V727 HydrophobicContact CG2-CG1 3.46Å; I716-V727 VanDerWaalsContact CG2-CG1 3.46Å; V727-V737 HydrophobicContact CB-CG1 4.07Å; V727-V737 HydrophobicContact CB-CG2 4.35Å; V727-V737 HydrophobicContact CG1-CG1 4.11Å; V727-V737 HydrophobicContact CG2-CG1 4.17Å; V727-V737 HydrophobicContact CG2-CG2 3.88Å |
| 728 | Y | 94.3 | Very high | 88.8 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 14% | 0.137 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 138.5 | 173.2 | 177.8 | -92.4 | 0 | 0 | 0 | 109.9 | W698 S713 V714 G730 E732 C735 | W698-Y728 AromaticContact CH2-CD1 3.98Å; W698-Y728 HydrophobicContact CH2-CD1 3.98Å; W698-Y728 HydrophobicContact CH2-CE1 4.1Å; W698-Y728 HydrophobicContact CZ2-CD1 4.1Å; W698-Y728 AromaticContact CZ2-CE1 3.91Å; W698-Y728 HydrophobicContact CZ2-CE1 3.91Å; S713-Y728 CarbonylContact C-O 3.47Å; S713-Y728 WeakPolarHBondContact CA-O 3.33Å; V714-Y728 HydrophobicContact CG2-CD1 4.14Å; V714-Y728 PolarHBondContact N-O 2.9Å; V714-Y728 PolarHBondContact O-N 2.98Å; Y728-G730 WeakPolarHBondContact OH-CA 3.12Å; Y728-E732 VanDerWaalsContact OH-CB 3.23Å; Y728-E732 WeakPolarHBondContact OH-CB 3.48Å; Y728-E732 PolarHBondContact OH-N 2.88Å; Y728-E732 PolarHBondContact OH-OE2 2.57Å; Y728-C735 HydrophobicContact CD1-CB 4.37Å; Y728-C735 HydrophobicContact CD2-CB 3.33Å; Y728-C735 HydrophobicContact CE2-CB 3.83Å; Y728-C735 HydrophobicContact CG-CB 3.64Å |
| 729 | Q | 94.1 | Very high | 88.9 | Confident | 113 Ų | 113 | 80.7 Ų | 80.7 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 120.2 | 165.7 | -169.3 | -173.5 | 20.1 | 0 | 0 | 108.2 | Y711 Y712 | Y711-Q729 HydrophobicContact CD2-CG 3.92Å; Y711-Q729 HydrophobicContact CE2-CG 4.1Å; Y711-Q729 VanDerWaalsContact CE2-NE2 3.33Å; Y712-Q729 WeakPolarHBondContact O-CA 3.36Å |
| 730 | G | 92.6 | Very high | 89.4 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 18% | 0.175 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | 171.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y711 Y712 Y728 | Y711-G730 CarbonylContact C-O 3.55Å; Y711-G730 WeakPolarHBondContact CA-O 3.45Å; Y711-G730 WeakPolarHBondContact CB-O 3.29Å; Y712-G730 PolarHBondContact N-O 2.64Å; Y712-G730 PolarHBondContact O-N 3.02Å; Y728-G730 WeakPolarHBondContact OH-CA 3.12Å |
| 731 | S | 92.7 | Very high | 90 | Very high | 89 Ų | 89 | 73.1 Ų | 73.1 | 62% | 0.622 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -88.9 | -6.1 | -175.1 | 51.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 732 | E | 92.8 | Very high | 90.6 | Very high | 119 Ų | 119 | 71.1 Ų | 71.1 | 56% | 0.556 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -76.9 | 164.6 | -178.9 | -50.2 | 160.7 | 129.3 | 0 | 0 | 110.7 | W698 Y712 Y728 | W698-E732 WeakPolarHBondContact CZ2-O 3.34Å; Y712-E732 WeakPolarHBondContact CD2-O 3.48Å; Y728-E732 VanDerWaalsContact OH-CB 3.23Å; Y728-E732 WeakPolarHBondContact OH-CB 3.48Å; Y728-E732 PolarHBondContact OH-N 2.88Å; Y728-E732 PolarHBondContact OH-OE2 2.57Å |
| 733 | L | 93.5 | Very high | 91 | Very high | 65 Ų | 65 | 65.6 Ų | 65.6 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -100.2 | 7.3 | -179 | -70.5 | 175.6 | 0 | 0 | 0 | 113 | R697 W698 Y712 | R697-L733 CarbonylContact C-O 3.5Å; R697-L733 VanDerWaalsContact CA-O 3.28Å; R697-L733 WeakPolarHBondContact CA-O 3.43Å; R697-L733 WeakPolarHBondContact CG-O 3.44Å; W698-L733 PolarHBondContact N-O 2.87Å; Y712-L733 HydrophobicContact CD2-CD2 4.39Å; Y712-L733 HydrophobicContact CE1-CD2 4.36Å; Y712-L733 HydrophobicContact CE2-CD2 3.58Å |
| 734 | D | 94.2 | Very high | 91.3 | Very high | 59 Ų | 59 | 61.9 Ų | 61.9 | 32% | 0.316 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 156.9 | 176.4 | 40.6 | -14.4 | 0 | 0 | 0 | 113 | L696 R697 | L696-D734 CarbonylContact O-C 3.54Å; L696-D734 WeakPolarHBondContact O-CA 3.35Å; L696-D734 WeakPolarHBondContact O-CB 3.27Å; R697-D734 HydrophobicContact CB-CB 3.83Å; R697-D734 HydrophobicContact CG-CB 3.93Å; R697-D734 IonicContact CZ-OD2 2.77Å; R697-D734 IonicContact NE-OD2 3.33Å; R697-D734 PolarHBondContact NE-OD2 2.99Å; R697-D734 IonicContact NH2-OD2 2.61Å; R697-D734 PolarHBondContact NH2-OD2 3.23Å |
| 735 | C | 93.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 162.7 | 173.6 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | Q695 L696 W698 Y728 | Q695-C735 WeakPolarHBondContact CA-O 3.34Å; L696-C735 PolarHBondContact N-O 2.81Å; L696-C735 PolarHBondContact O-N 2.81Å; W698-C735 HydrophobicContact CH2-CB 3.95Å; W698-C735 HydrophobicContact CZ3-CB 4.34Å; Y728-C735 HydrophobicContact CD1-CB 4.37Å; Y728-C735 HydrophobicContact CD2-CB 3.33Å; Y728-C735 HydrophobicContact CE2-CB 3.83Å; Y728-C735 HydrophobicContact CG-CB 3.64Å |
| 736 | S | 93.3 | Very high | 91.5 | Very high | 57 Ų | 57 | 53.8 Ų | 53.8 | 40% | 0.399 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 119.8 | 169.4 | -150.4 | 0 | 0 | 0 | 0 | 110 | E693 Q695 | E693-S736 VanDerWaalsContact CD-OG 3.28Å; E693-S736 VanDerWaalsContact CG-OG 3.26Å; E693-S736 WeakPolarHBondContact CG-OG 3.45Å; E693-S736 PolarHBondContact OE1-OG 2.82Å; Q695-S736 WeakPolarHBondContact CG-OG 3.36Å |
| 737 | V | 92.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 100.1 | 179.6 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | E693 V694 L696 I716 V727 L740 F748 | E693-V737 WeakPolarHBondContact CA-O 3.23Å; V694-V737 HydrophobicContact CG2-CB 4.24Å; V694-V737 PolarHBondContact N-O 2.85Å; V694-V737 PolarHBondContact O-N 2.9Å; L696-V737 HydrophobicContact CD1-CG2 4.3Å; I716-V737 HydrophobicContact CD1-CG1 4.3Å; V727-V737 HydrophobicContact CB-CG1 4.07Å; V727-V737 HydrophobicContact CB-CG2 4.35Å; V727-V737 HydrophobicContact CG1-CG1 4.11Å; V727-V737 HydrophobicContact CG2-CG1 4.17Å; V727-V737 HydrophobicContact CG2-CG2 3.88Å; V737-L740 HydrophobicContact CG1-CD2 4.2Å; V737-F748 HydrophobicContact CB-CE1 4.21Å; V737-F748 HydrophobicContact CG1-CE1 4.16Å; V737-F748 HydrophobicContact CG2-CE1 4.05Å |
| 738 | G | 90.3 | Very high | 91.5 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 178.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | R692 L740 | R692-G738 CarbonylContact O-C 3.57Å; R692-G738 WeakPolarHBondContact O-CA 3.47Å; G738-L740 VanDerWaalsContact C-N 3.33Å |
| 739 | G | 87.8 | Confident | 91.5 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 80% | 0.804 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 78.4 | 14.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | R692 | R692-G739 PolarHBondContact O-N 2.94Š|
| 740 | L | 90.7 | Very high | 91.5 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 156.2 | -177.6 | -54.7 | -178.1 | 0 | 0 | 0 | 112.1 | R692 V694 I716 V737 G738 Y746 F748 T769 | R692-L740 WeakPolarHBondContact CA-O 3.28Å; R692-L740 WeakPolarHBondContact CB-O 3.25Å; R692-L740 WeakPolarHBondContact CG-O 3.32Å; R692-L740 PolarHBondContact O-N 3.46Å; R692-L740 VanDerWaalsContact O-N 3.1Å; V694-L740 HydrophobicContact CB-CD1 4.44Å; V694-L740 HydrophobicContact CG1-CD1 4.07Å; V694-L740 HydrophobicContact CG2-CD1 3.76Å; I716-L740 HydrophobicContact CD1-CD2 3.49Å; I716-L740 VanDerWaalsContact CD1-CD2 3.49Å; V737-L740 HydrophobicContact CG1-CD2 4.2Å; G738-L740 VanDerWaalsContact C-N 3.33Å; L740-Y746 HydrophobicContact CB-CD2 4.47Å; L740-Y746 HydrophobicContact CB-CE2 3.84Å; L740-Y746 HydrophobicContact CD1-CD2 4.32Å; L740-Y746 HydrophobicContact CD1-CE2 4.49Å; L740-Y746 HydrophobicContact CD2-CD1 4.2Å; L740-Y746 HydrophobicContact CD2-CD2 4.38Å; L740-Y746 HydrophobicContact CD2-CE1 3.94Å; L740-Y746 HydrophobicContact CD2-CE2 4.14Å; L740-Y746 HydrophobicContact CD2-CG 4.4Å; L740-Y746 HydrophobicContact CG-CE2 4.37Å; L740-F748 HydrophobicContact CD1-CZ 4.26Å; L740-T769 HydrophobicContact CB-CG2 3.72Å; L740-T769 HydrophobicContact CD1-CG2 3.85Å; L740-T769 HydrophobicContact CG-CG2 4.45Å |
| 741 | L | 87.9 | Confident | 91.6 | Very high | 92 Ų | 92 | 44.1 Ų | 44.1 | 48% | 0.482 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 137.9 | 174.4 | -63 | 176.3 | 0 | 0 | 0 | 110.4 | K744 Y746 T769 | L741-K744 HydrophobicContact CB-CB 4.34Å; L741-K744 HydrophobicContact CB-CG 3.63Å; L741-K744 HydrophobicContact CD1-CG 4.48Å; L741-Y746 WeakPolarHBondContact CB-OH 3.45Å; L741-Y746 PolarHBondContact N-OH 2.9Å; L741-T769 WeakPolarHBondContact O-CB 3.24Å; L741-T769 PolarHBondContact O-OG1 3.3Å |
| 742 | P | 87.5 | Confident | 91.8 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 145.1 | 179.8 | -15.4 | 28.3 | 0 | 0 | 0 | 113.9 | A691 R692 K744 T769 N800 | A691-P742 HydrophobicContact CB-CB 4.14Å; A691-P742 HydrophobicContact CB-CG 4.22Å; A691-P742 WeakPolarHBondContact O-CA 3.3Å; A691-P742 WeakPolarHBondContact O-CB 3.34Å; A691-P742 WeakPolarHBondContact O-CG 3.24Å; R692-P742 HydrophobicContact CG-CG 4.2Å; P742-K744 VanDerWaalsContact C-N 3.26Å; P742-K744 PolarHBondContact O-N 2.86Å; P742-T769 WeakPolarHBondContact CA-OG1 3.4Å; P742-N800 HydrophobicContact CB-CB 3.98Å; P742-N800 HydrophobicContact CG-CB 4.35Å |
| 743 | G | 85.4 | Confident | 91.8 | Very high | 23 Ų | 23 | 34.2 Ų | 34.2 | 24% | 0.237 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 26.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T769 G770 G801 | G743-T769 PolarHBondContact N-OG1 2.95Å; G743-G770 PolarHBondContact N-O 2.81Å; G743-G770 VanDerWaalsContact N-O 3.12Å; G743-G801 VanDerWaalsContact CA-CA 3.48Å |
| 744 | K | 89 | Confident | 91.8 | Very high | 84 Ų | 84 | 31.5 Ų | 31.5 | 37% | 0.365 | 20% | 0.201 | S | C | . | . | trans | -116.6 | 140.5 | 178.7 | -56.3 | -54.7 | 178.3 | -172.8 | 0 | 110.3 | P719 L741 P742 Y746 T768 T769 | P719-K744 HydrophobicContact CB-CB 4.16Å; P719-K744 HydrophobicContact CG-CB 4.09Å; P719-K744 HydrophobicContact CG-CG 4.41Å; L741-K744 HydrophobicContact CB-CB 4.34Å; L741-K744 HydrophobicContact CB-CG 3.63Å; L741-K744 HydrophobicContact CD1-CG 4.48Å; P742-K744 VanDerWaalsContact C-N 3.26Å; P742-K744 PolarHBondContact O-N 2.86Å; K744-Y746 HydrophobicContact CB-CD2 4.42Å; K744-Y746 HydrophobicContact CB-CE2 3.85Å; K744-Y746 WeakPolarHBondContact O-CD2 3.4Å; K744-T768 WeakPolarHBondContact O-CA 3.37Å; K744-T769 PolarHBondContact N-OG1 3.27Å; K744-T769 PolarHBondContact O-N 2.98Å; K744-T769 PolarHBondContact O-OG1 3.22Å | ||
| 745 | T | 90.5 | Very high | 91.6 | Very high | 52 Ų | 52 | 35 Ų | 35 | 32% | 0.319 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 129.8 | 173.7 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | P719 E766 V767 T768 | P719-T745 WeakPolarHBondContact CA-O 3.36Å; P719-T745 WeakPolarHBondContact CB-O 3.47Å; T745-E766 HydrophobicContact CG2-CB 3.85Å; T745-E766 HydrophobicContact CG2-CG 4.3Å; T745-V767 WeakPolarHBondContact CA-O 3.46Å; T745-T768 PolarHBondContact OG1-OG1 3.2Å |
| 746 | Y | 92.1 | Very high | 91.4 | Very high | 20 Ų | 20 | 36.5 Ų | 36.5 | 8% | 0.078 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.9 | 173.7 | -70.8 | -91.9 | 0 | 0 | 0 | 109.4 | I716 L740 L741 K744 E766 V767 T769 | I716-Y746 HydrophobicContact CD1-CD1 3.41Å; I716-Y746 VanDerWaalsContact CD1-CD1 3.41Å; I716-Y746 HydrophobicContact CD1-CE1 4.1Å; I716-Y746 HydrophobicContact CD1-CG 3.86Å; I716-Y746 HydrophobicContact CG1-CD1 3.89Å; I716-Y746 HydrophobicContact CG1-CG 4.37Å; L740-Y746 HydrophobicContact CB-CD2 4.47Å; L740-Y746 HydrophobicContact CB-CE2 3.84Å; L740-Y746 HydrophobicContact CD1-CD2 4.32Å; L740-Y746 HydrophobicContact CD1-CE2 4.49Å; L740-Y746 HydrophobicContact CD2-CD1 4.2Å; L740-Y746 HydrophobicContact CD2-CD2 4.38Å; L740-Y746 HydrophobicContact CD2-CE1 3.94Å; L740-Y746 HydrophobicContact CD2-CE2 4.14Å; L740-Y746 HydrophobicContact CD2-CG 4.4Å; L740-Y746 HydrophobicContact CG-CE2 4.37Å; L741-Y746 WeakPolarHBondContact CB-OH 3.45Å; L741-Y746 PolarHBondContact N-OH 2.9Å; K744-Y746 HydrophobicContact CB-CD2 4.42Å; K744-Y746 HydrophobicContact CB-CE2 3.85Å; K744-Y746 WeakPolarHBondContact O-CD2 3.4Å; Y746-E766 WeakPolarHBondContact O-CA 3.47Å; Y746-V767 PolarHBondContact N-O 2.62Å; Y746-V767 PolarHBondContact O-N 3.12Å; Y746-T769 HydrophobicContact CD2-CG2 4.11Å; Y746-T769 HydrophobicContact CE2-CG2 4.08Å |
| 747 | S | 93 | Very high | 91.3 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.4 | 176.7 | 149.8 | 0 | 0 | 0 | 0 | 109.6 | I716 S717 R764 | I716-S747 CarbonylContact C-O 3.57Å; I716-S747 WeakPolarHBondContact CA-O 3.41Å; S717-S747 PolarHBondContact N-O 3.1Å; S717-S747 PolarHBondContact O-N 2.99Å; S717-S747 VanDerWaalsContact O-N 3.17Å; S747-R764 WeakPolarHBondContact OG-CD 3.34Å; S747-R764 WeakPolarHBondContact OG-CG 3.26Å |
| 748 | F | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138.3 | 177.6 | -63.4 | -86.2 | 0 | 0 | 0 | 111.4 | P683 V694 L696 V714 E715 I716 V737 L740 C765 V767 | P683-F748 HydrophobicContact CG-CB 3.89Å; V694-F748 HydrophobicContact CG2-CE1 4.36Å; V694-F748 HydrophobicContact CG2-CE2 3.99Å; V694-F748 HydrophobicContact CG2-CZ 3.59Å; L696-F748 HydrophobicContact CD1-CB 4.07Å; L696-F748 HydrophobicContact CD1-CD1 3.4Å; L696-F748 VanDerWaalsContact CD1-CD1 3.4Å; L696-F748 HydrophobicContact CD1-CD2 4.13Å; L696-F748 HydrophobicContact CD1-CE1 3.76Å; L696-F748 HydrophobicContact CD1-CE2 4.45Å; L696-F748 HydrophobicContact CD1-CG 3.59Å; L696-F748 HydrophobicContact CD1-CZ 4.28Å; V714-F748 HydrophobicContact CG1-CD1 4.43Å; E715-F748 WeakPolarHBondContact O-CA 3.47Å; I716-F748 HydrophobicContact CB-CD1 4.11Å; I716-F748 HydrophobicContact CB-CE1 3.92Å; I716-F748 HydrophobicContact CD1-CD1 4.35Å; I716-F748 HydrophobicContact CD1-CE1 3.42Å; I716-F748 VanDerWaalsContact CD1-CE1 3.42Å; I716-F748 HydrophobicContact CD1-CE2 4.46Å; I716-F748 HydrophobicContact CD1-CZ 3.48Å; I716-F748 VanDerWaalsContact CD1-CZ 3.48Å; I716-F748 HydrophobicContact CG1-CD1 3.9Å; I716-F748 HydrophobicContact CG1-CE1 3.46Å; I716-F748 VanDerWaalsContact CG1-CE1 3.46Å; I716-F748 HydrophobicContact CG1-CE2 4.5Å; I716-F748 HydrophobicContact CG1-CZ 3.8Å; V737-F748 HydrophobicContact CB-CE1 4.21Å; V737-F748 HydrophobicContact CG1-CE1 4.16Å; V737-F748 HydrophobicContact CG2-CE1 4.05Å; L740-F748 HydrophobicContact CD1-CZ 4.26Å; F748-C765 PolarHBondContact N-O 2.86Å; F748-C765 PolarHBondContact O-N 2.98Å; F748-V767 HydrophobicContact CD2-CB 4.28Å; F748-V767 HydrophobicContact CD2-CG2 4.16Å; F748-V767 HydrophobicContact CE2-CB 4.05Å; F748-V767 HydrophobicContact CE2-CG2 4.36Å |
| 749 | R | 94.1 | Very high | 91.4 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 18% | 0.181 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 152.6 | 169.6 | -65.1 | 179.3 | -65.4 | -165.7 | 2.6 | 109.2 | V714 E715 S724 L761 S762 R764 | V714-R749 WeakPolarHBondContact CA-O 3.18Å; E715-R749 PolarHBondContact N-O 2.83Å; E715-R749 PolarHBondContact O-N 2.85Å; E715-R749 IonicContact OE2-NH2 3.39Å; S724-R749 PolarHBondContact OG-NH2 3.17Å; S724-R749 VanDerWaalsContact OG-NH2 3.12Å; R749-L761 HydrophobicContact CB-CB 4.44Å; R749-L761 HydrophobicContact CB-CD2 3.96Å; R749-S762 WeakPolarHBondContact CA-OG 3.4Å; R749-R764 HydrophobicContact CG-CB 4.45Å; R749-R764 HydrophobicContact CG-CG 3.87Å |
| 750 | L | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 152.2 | 173.4 | 76.2 | 106.9 | 0 | 0 | 0 | 113.3 | C680 P683 W698 Y712 S713 V714 L761 S762 | C680-L750 HydrophobicContact CB-CD1 3.44Å; C680-L750 VanDerWaalsContact CB-CD1 3.44Å; C680-L750 HydrophobicContact CB-CG 4.03Å; P683-L750 HydrophobicContact CB-CD2 3.76Å; P683-L750 HydrophobicContact CG-CD2 4.01Å; W698-L750 HydrophobicContact CB-CD1 4.36Å; W698-L750 HydrophobicContact CB-CD2 3.57Å; W698-L750 HydrophobicContact CD2-CD1 4.36Å; W698-L750 HydrophobicContact CD2-CD2 3.85Å; W698-L750 HydrophobicContact CE3-CD2 4.06Å; W698-L750 HydrophobicContact CG-CD1 3.93Å; W698-L750 HydrophobicContact CG-CD2 3.66Å; W698-L750 HydrophobicContact CG-CG 4.48Å; Y712-L750 HydrophobicContact CD1-CD1 3.97Å; S713-L750 CarbonylContact O-C 3.49Å; S713-L750 WeakPolarHBondContact O-CA 3.34Å; S713-L750 WeakPolarHBondContact O-CB 3.27Å; V714-L750 HydrophobicContact CB-CB 4.43Å; V714-L750 HydrophobicContact CG2-CB 3.93Å; L750-L761 CarbonylContact O-C 3.57Å; L750-S762 PolarHBondContact N-OG 3.48Å; L750-S762 PolarHBondContact O-N 2.81Å |
| 751 | K | 94.4 | Very high | 91.8 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.6 | 178.8 | 54.7 | -169.3 | 177 | -153.4 | 0 | 109.6 | Y712 S713 E715 F758 L761 | Y712-K751 CarbonylContact C-O 3.56Å; Y712-K751 WeakPolarHBondContact CA-O 3.29Å; S713-K751 PolarHBondContact N-O 3.19Å; S713-K751 PolarHBondContact O-N 3.12Å; S713-K751 WeakPolarHBondContact OG-CE 3.34Å; E715-K751 IonicContact OE1-NZ 2.69Å; E715-K751 PolarHBondContact OE1-NZ 3.16Å; K751-F758 HydrophobicContact CB-CD1 4.4Å; K751-F758 HydrophobicContact CD-CD1 3.75Å; K751-F758 HydrophobicContact CD-CE1 4.16Å; K751-F758 HydrophobicContact CD-CG 4.25Å; K751-F758 HydrophobicContact CG-CD1 3.71Å; K751-F758 HydrophobicContact CG-CE1 4.08Å; K751-L761 HydrophobicContact CB-CD2 3.96Å; K751-L761 HydrophobicContact CB-CG 4.44Å; K751-L761 HydrophobicContact CD-CD2 3.89Å; K751-L761 HydrophobicContact CD-CG 4.36Å; K751-L761 HydrophobicContact CG-CD2 4Å |
| 752 | A | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 150.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P677 P701 V709 Y712 F758 G759 | P677-A752 HydrophobicContact CB-CB 3.98Å; P677-A752 HydrophobicContact CG-CB 4.04Å; P701-A752 HydrophobicContact CG-CB 3.99Å; V709-A752 HydrophobicContact CG1-CB 3.8Å; V709-A752 HydrophobicContact CG2-CB 4.2Å; Y712-A752 HydrophobicContact CD1-CB 3.92Å; Y712-A752 HydrophobicContact CE1-CB 3.87Å; A752-F758 WeakPolarHBondContact O-CA 3.39Å; A752-G759 PolarHBondContact O-N 3.49Å |
| 753 | A | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 137.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V709 S710 Y711 G757 F758 | V709-A753 CarbonylContact C-O 3.58Å; V709-A753 WeakPolarHBondContact CG1-O 3.31Å; S710-A753 PolarHBondContact N-O 2.88Å; Y711-A753 HydrophobicContact CD1-CB 4.2Å; Y711-A753 HydrophobicContact CD2-CB 4.03Å; Y711-A753 HydrophobicContact CE1-CB 3.82Å; Y711-A753 HydrophobicContact CE2-CB 3.63Å; Y711-A753 HydrophobicContact CG-CB 4.3Å; Y711-A753 PolarHBondContact N-O 2.97Å; Y711-A753 PolarHBondContact O-N 3.35Å; A753-G757 VanDerWaalsContact CA-O 3.31Å; A753-G757 WeakPolarHBondContact CA-O 3.41Å; A753-F758 HydrophobicContact CB-CD1 3.75Å; A753-F758 HydrophobicContact CB-CE1 3.98Å; A753-F758 HydrophobicContact CB-CG 4.24Å |
| 754 | N | 93.4 | Very high | 92.5 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | -167.6 | 169.7 | 72.9 | 11.8 | 0 | 0 | 0 | 110 | V675 P677 D704 P708 A756 G757 | V675-N754 PolarHBondContact O-ND2 3.35Å; V675-N754 PolarHBondContact O-OD1 3.24Å; P677-N754 HydrophobicContact CG-CB 3.86Å; D704-N754 PolarHBondContact O-ND2 3.47Å; P708-N754 WeakPolarHBondContact O-CB 3.42Å; N754-A756 PolarHBondContact O-N 2.87Å; N754-A756 WeakPolarHBondContact OD1-CA 3.39Å; N754-A756 WeakPolarHBondContact OD1-CB 3.23Å; N754-A756 PolarHBondContact OD1-N 3.48Å; N754-G757 PolarHBondContact N-O 2.7Å; N754-G757 PolarHBondContact O-N 2.91Å |
| 755 | K | 89.3 | Confident | 92.6 | Very high | 133 Ų | 133 | 43.3 Ų | 43.3 | 58% | 0.578 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -15.9 | 179.2 | 79.1 | -169.6 | 177.7 | -154.6 | 0 | 115.4 | A674 S707 | A674-K755 VanDerWaalsContact CB-CE 3.45Å; A674-K755 HydrophobicContact CB-CG 4.37Å; S707-K755 VanDerWaalsContact OG-CD 3.32Å; S707-K755 WeakPolarHBondContact OG-CD 3.45Å; S707-K755 WeakPolarHBondContact OG-CG 3.46Å |
| 756 | A | 89 | Confident | 92.7 | Very high | 46 Ų | 46 | 47.6 Ų | 47.6 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -7.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | A674 P676 N754 | A674-A756 HydrophobicContact CB-CB 4.34Å; A674-A756 WeakPolarHBondContact O-CB 3.06Å; P676-A756 HydrophobicContact CG-CB 4.45Å; N754-A756 PolarHBondContact O-N 2.87Å; N754-A756 WeakPolarHBondContact OD1-CA 3.39Å; N754-A756 WeakPolarHBondContact OD1-CB 3.23Å; N754-A756 PolarHBondContact OD1-N 3.48Å |
| 757 | G | 91.1 | Very high | 92.6 | Very high | 28 Ų | 28 | 47 Ų | 47 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 121.3 | -166 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | A753 N754 | A753-G757 VanDerWaalsContact CA-O 3.31Å; A753-G757 WeakPolarHBondContact CA-O 3.41Å; N754-G757 PolarHBondContact N-O 2.7Å; N754-G757 PolarHBondContact O-N 2.91Å |
| 758 | F | 92.4 | Very high | 92.4 | Very high | 84 Ų | 84 | 49.8 Ų | 49.8 | 37% | 0.368 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 133.2 | 177.7 | -73.8 | -77.7 | 0 | 0 | 0 | 112.3 | P676 Y711 K751 A752 A753 | P676-F758 VanDerWaalsContact CB-O 3.25Å; P676-F758 WeakPolarHBondContact CB-O 3.47Å; Y711-F758 HydrophobicContact CD2-CE1 4.48Å; Y711-F758 AromaticContact CE2-CE1 3.62Å; Y711-F758 HydrophobicContact CE2-CE1 3.62Å; Y711-F758 AromaticContact CE2-CZ 3.6Å; Y711-F758 HydrophobicContact CE2-CZ 3.6Å; K751-F758 HydrophobicContact CB-CD1 4.4Å; K751-F758 HydrophobicContact CD-CD1 3.75Å; K751-F758 HydrophobicContact CD-CE1 4.16Å; K751-F758 HydrophobicContact CD-CG 4.25Å; K751-F758 HydrophobicContact CG-CD1 3.71Å; K751-F758 HydrophobicContact CG-CE1 4.08Å; A752-F758 WeakPolarHBondContact O-CA 3.39Å; A753-F758 HydrophobicContact CB-CD1 3.75Å; A753-F758 HydrophobicContact CB-CE1 3.98Å; A753-F758 HydrophobicContact CB-CG 4.24Å |
| 759 | G | 92.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 50 Ų | 50 | 9% | 0.093 | 26% | 0.258 | C | S | . | . | trans | -73.6 | 177.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P677 A752 | P677-G759 WeakPolarHBondContact O-CA 3.07Å; A752-G759 PolarHBondContact O-N 3.49Å | ||
| 760 | P | 93.5 | Very high | 91.8 | Very high | 72 Ų | 72 | 48 Ų | 48 | 47% | 0.468 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 154.8 | 174.8 | 29.2 | -33.6 | 0 | 0 | 0 | 111.7 | P677 P679 | P677-P760 WeakPolarHBondContact O-CD 3.09Å; P679-P760 HydrophobicContact CB-CG 3.97Å; P679-P760 HydrophobicContact CG-CG 4.36Å |
| 761 | L | 93 | Very high | 91.4 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 146.8 | 171.2 | -74.5 | 163.9 | 0 | 0 | 0 | 111 | R749 L750 K751 | R749-L761 HydrophobicContact CB-CB 4.44Å; R749-L761 HydrophobicContact CB-CD2 3.96Å; L750-L761 CarbonylContact O-C 3.57Å; K751-L761 HydrophobicContact CB-CD2 3.96Å; K751-L761 HydrophobicContact CB-CG 4.44Å; K751-L761 HydrophobicContact CD-CD2 3.89Å; K751-L761 HydrophobicContact CD-CG 4.36Å; K751-L761 HydrophobicContact CG-CD2 4Å |
| 762 | S | 94.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 165.2 | 165.8 | 73.2 | 0 | 0 | 0 | 0 | 111.7 | C680 R749 L750 | C680-S762 WeakPolarHBondContact O-CB 3.42Å; R749-S762 WeakPolarHBondContact CA-OG 3.4Å; L750-S762 PolarHBondContact N-OG 3.48Å; L750-S762 PolarHBondContact O-N 2.81Å |
| 763 | E | 91.5 | Very high | 90.5 | Very high | 157 Ų | 157 | 51.3 Ų | 51.3 | 73% | 0.734 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 160 | 161.1 | -51.2 | -178.7 | 145.1 | 0 | 0 | 110.6 | P682 | P682-E763 HydrophobicContact CG-CB 3.89Š|
| 764 | R | 90.1 | Very high | 90.1 | Very high | 111 Ų | 111 | 51.5 Ų | 51.5 | 42% | 0.419 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 126.9 | 179.8 | -68.6 | 178.2 | 169 | 166.5 | -5.3 | 110.2 | E722 S747 R749 | E722-R764 IonicContact OE1-CZ 3.57Å; E722-R764 VanDerWaalsContact OE1-CZ 3.27Å; E722-R764 IonicContact OE1-NH1 2.77Å; E722-R764 PolarHBondContact OE1-NH1 3.01Å; E722-R764 IonicContact OE1-NH2 3.48Å; E722-R764 PolarHBondContact OE1-NH2 2.82Å; S747-R764 WeakPolarHBondContact OG-CD 3.34Å; S747-R764 WeakPolarHBondContact OG-CG 3.26Å; R749-R764 HydrophobicContact CG-CB 4.45Å; R749-R764 HydrophobicContact CG-CG 3.87Å |
| 765 | C | 90.8 | Very high | 89.7 | Confident | 25 Ų | 25 | 55 Ų | 55 | 17% | 0.169 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.1 | 160.8 | 177 | 0 | 0 | 0 | 0 | 109 | P682 P683 F748 | P682-C765 HydrophobicContact CB-CB 4.13Å; P683-C765 HydrophobicContact CG-CB 3.87Å; P683-C765 WeakPolarHBondContact O-CB 3.38Å; P683-C765 PolarHBondContact O-SG 2.88Å; F748-C765 PolarHBondContact N-O 2.86Å; F748-C765 PolarHBondContact O-N 2.98Å |
| 766 | E | 92.4 | Very high | 89.6 | Confident | 141 Ų | 141 | 52.9 Ų | 52.9 | 66% | 0.659 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.2 | 172.8 | -70.8 | -175.5 | -168.5 | 0 | 0 | 110.9 | T745 Y746 | T745-E766 HydrophobicContact CG2-CB 3.85Å; T745-E766 HydrophobicContact CG2-CG 4.3Å; Y746-E766 WeakPolarHBondContact O-CA 3.47Å |
| 767 | V | 90.6 | Very high | 89.6 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 119.5 | 178 | 180 | 0 | 0 | 0 | 0 | 109.2 | L685 V694 L696 T745 Y746 F748 | L685-V767 HydrophobicContact CD1-CG1 4.06Å; L685-V767 HydrophobicContact CD2-CG1 4.17Å; V694-V767 HydrophobicContact CB-CG1 4.45Å; V694-V767 HydrophobicContact CG1-CG1 3.86Å; L696-V767 HydrophobicContact CD2-CG2 4.38Å; T745-V767 WeakPolarHBondContact CA-O 3.46Å; Y746-V767 PolarHBondContact N-O 2.62Å; Y746-V767 PolarHBondContact O-N 3.12Å; F748-V767 HydrophobicContact CD2-CB 4.28Å; F748-V767 HydrophobicContact CD2-CG2 4.16Å; F748-V767 HydrophobicContact CE2-CB 4.05Å; F748-V767 HydrophobicContact CE2-CG2 4.36Å |
| 768 | T | 89.8 | Confident | 89.4 | Confident | 72 Ų | 72 | 55.9 Ų | 55.9 | 44% | 0.442 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 127.2 | 167.1 | -44.7 | 0 | 0 | 0 | 0 | 109.8 | P689 K744 T745 | P689-T768 WeakPolarHBondContact CB-O 3.37Å; P689-T768 WeakPolarHBondContact CG-O 3.48Å; K744-T768 WeakPolarHBondContact O-CA 3.37Å; T745-T768 PolarHBondContact OG1-OG1 3.2Å |
| 769 | T | 89.6 | Confident | 89.1 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -62 | 154.5 | 171.6 | 47.8 | 0 | 0 | 0 | 0 | 111.2 | V694 L740 L741 P742 G743 K744 Y746 | V694-T769 HydrophobicContact CG1-CG2 4.19Å; L740-T769 HydrophobicContact CB-CG2 3.72Å; L740-T769 HydrophobicContact CD1-CG2 3.85Å; L740-T769 HydrophobicContact CG-CG2 4.45Å; L741-T769 WeakPolarHBondContact O-CB 3.24Å; L741-T769 PolarHBondContact O-OG1 3.3Å; P742-T769 WeakPolarHBondContact CA-OG1 3.4Å; G743-T769 PolarHBondContact N-OG1 2.95Å; K744-T769 PolarHBondContact N-OG1 3.27Å; K744-T769 PolarHBondContact O-N 2.98Å; K744-T769 PolarHBondContact O-OG1 3.22Å; Y746-T769 HydrophobicContact CD2-CG2 4.11Å; Y746-T769 HydrophobicContact CE2-CG2 4.08Å |
| 770 | G | 86.1 | Confident | 89 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 158.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P689 K690 A691 G743 | P689-G770 WeakPolarHBondContact O-CA 3.3Å; K690-G770 PolarHBondContact O-N 2.85Å; A691-G770 WeakPolarHBondContact CA-O 3.31Å; G743-G770 PolarHBondContact N-O 2.81Å; G743-G770 VanDerWaalsContact N-O 3.12Å |
| 771 | P | 85.3 | Confident | 88.8 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 141.1 | 170.6 | 29.7 | -34.8 | 0 | 0 | 0 | 109.7 | N800 A802 A850 | P771-N800 CarbonylContact C-O 3.5Å; P771-N800 VanDerWaalsContact CA-O 3.28Å; P771-N800 WeakPolarHBondContact CA-O 3.44Å; P771-A802 HydrophobicContact CB-CB 3.81Å; P771-A850 HydrophobicContact CB-CB 3.99Å; P771-A850 HydrophobicContact CG-CB 4.16Å; P771-A850 WeakPolarHBondContact O-CB 3.28Å |
| 772 | G | 85.4 | Confident | 88.6 | Confident | 6 Ų | 6 | 53 Ų | 53 | 6% | 0.062 | 29% | 0.288 | C | S | . | . | trans | -108.1 | 163.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N800 N848 | G772-N800 PolarHBondContact N-O 2.78Å; G772-N848 PolarHBondContact O-ND2 3.24Å; G772-N848 PolarHBondContact O-OD1 3.48Å | ||
| 773 | A | 85.8 | Confident | 88.2 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 28% | 0.281 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 153.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | N800 | A773-N800 WeakPolarHBondContact O-CB 3.19Å; A773-N800 PolarHBondContact O-ND2 2.87Å |
| 774 | P | 86.8 | Confident | 87.8 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 154.5 | 179.8 | -25.1 | 37.4 | 0 | 0 | 0 | 112.5 | P797 V804 A846 N848 G853 | P774-P797 HydrophobicContact CB-CG 3.99Å; P774-V804 HydrophobicContact CB-CG2 4.25Å; P774-V804 HydrophobicContact CG-CG2 4.09Å; P774-A846 HydrophobicContact CB-CB 3.7Å; P774-A846 HydrophobicContact CG-CB 3.93Å; P774-N848 HydrophobicContact CG-CB 4Å; P774-G853 WeakPolarHBondContact O-CA 3.37Å |
| 775 | E | 84.9 | Confident | 87.4 | Confident | 82 Ų | 82 | 52.9 Ų | 52.9 | 38% | 0.383 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -67 | 164.8 | 169.7 | -58.4 | -163.2 | 131.8 | 0 | 0 | 111.1 | C777 P797 P798 N800 | E775-C777 PolarHBondContact O-N 2.9Å; E775-P797 HydrophobicContact CB-CB 4.44Å; E775-P797 WeakPolarHBondContact O-CB 3.4Å; E775-P798 WeakPolarHBondContact OE2-CG 3.26Å; E775-N800 VanDerWaalsContact CG-ND2 3.26Å; E775-N800 WeakPolarHBondContact CG-ND2 3.25Å |
| 776 | Q | 87.2 | Confident | 87 | Confident | 90 Ų | 90 | 53.6 Ų | 53.6 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 129.6 | 176.3 | -160.1 | -175.3 | 6.8 | 0 | 0 | 109.8 | P854 F855 E857 | Q776-P854 HydrophobicContact CB-CG 3.87Å; Q776-P854 HydrophobicContact CG-CB 4.45Å; Q776-P854 HydrophobicContact CG-CG 4.08Å; Q776-F855 WeakPolarHBondContact CG-O 3.43Å; Q776-F855 PolarHBondContact NE2-O 3.11Å; Q776-E857 PolarHBondContact NE2-OE1 2.87Å |
| 777 | C | 87.3 | Confident | 86.5 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 145.2 | 173.3 | -68.7 | 0 | 0 | 0 | 0 | 109.8 | E775 V844 S856 | E775-C777 PolarHBondContact O-N 2.9Å; C777-V844 HydrophobicContact CB-CG1 3.77Å; C777-S856 WeakPolarHBondContact O-CA 3.45Å; C777-S856 WeakPolarHBondContact O-CB 3.23Å |
| 778 | K | 87.4 | Confident | 86.2 | Confident | 133 Ų | 133 | 50.9 Ų | 50.9 | 58% | 0.578 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -57 | 150.4 | 165.3 | -68.6 | -179.8 | -178.3 | 172.2 | 0 | 109.5 | E795 | K778-E795 WeakPolarHBondContact CD-OE2 3.39Å; K778-E795 WeakPolarHBondContact CE-OE2 3.08Å; K778-E795 IonicContact NZ-OE1 2.66Å; K778-E795 PolarHBondContact NZ-OE1 2.92Å; K778-E795 IonicContact NZ-OE2 2.76Å; K778-E795 PolarHBondContact NZ-OE2 3.06Å |
| 779 | A | 87.3 | Confident | 85.9 | Confident | 58 Ų | 58 | 47.9 Ų | 47.9 | 48% | 0.479 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -47.5 | 124 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V859 | A779-V859 HydrophobicContact CB-CG2 3.63Š|
| 780 | P | 90.4 | Very high | 85.9 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 138.7 | -173.2 | 27.1 | -35.5 | 0 | 0 | 0 | 112.6 | T782 V792 S793 W794 V844 S856 V859 | P780-T782 PolarHBondContact O-N 2.91Å; P780-V792 HydrophobicContact CB-CG1 3.69Å; P780-V792 HydrophobicContact CG-CG1 4.19Å; P780-S793 CarbonylContact C-O 3.51Å; P780-S793 VanDerWaalsContact CA-O 3.31Å; P780-S793 WeakPolarHBondContact CA-O 3.17Å; P780-S793 WeakPolarHBondContact CB-O 3.34Å; P780-W794 HydrophobicContact CB-CB 4.38Å; P780-V844 HydrophobicContact CB-CG1 4.21Å; P780-V844 HydrophobicContact CG-CG1 4.34Å; P780-S856 WeakPolarHBondContact CD-OG 3.13Å; P780-V859 HydrophobicContact CG-CB 4.32Å; P780-V859 HydrophobicContact CG-CG2 4.2Å; P780-V859 WeakPolarHBondContact O-CG2 3.42Å |
| 781 | A | 89.1 | Confident | 86.1 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 120.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | S793 | A781-S793 PolarHBondContact N-O 2.85Å; A781-S793 PolarHBondContact O-N 2.7Å; A781-S793 PolarHBondContact O-OG 2.74Å |
| 782 | T | 88.5 | Confident | 86.4 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.7 | -178.9 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | P780 I791 V792 C842 V859 C861 | P780-T782 PolarHBondContact O-N 2.91Å; T782-I791 CarbonylContact C-O 3.52Å; T782-I791 WeakPolarHBondContact CA-O 3.32Å; T782-V792 HydrophobicContact CG2-CG1 4.32Å; T782-V792 HydrophobicContact CG2-CG2 4.26Å; T782-C842 WeakPolarHBondContact CG2-SG 3.27Å; T782-V859 HydrophobicContact CG2-CG1 3.84Å; T782-C861 HydrophobicContact CG2-CB 3.87Å; T782-C861 WeakPolarHBondContact OG1-CB 3.29Å |
| 783 | T | 87.1 | Confident | 86.7 | Confident | 84 Ų | 84 | 48.2 Ų | 48.2 | 52% | 0.515 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 115.2 | 176.7 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | K785 I791 | T783-K785 PolarHBondContact O-N 2.69Å; T783-I791 PolarHBondContact N-O 2.76Å; T783-I791 PolarHBondContact O-N 3.04Å |
| 784 | C | 82.5 | Confident | 87 | Confident | 56 Ų | 56 | 47.4 Ų | 47.4 | 38% | 0.378 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 120.6 | 177.3 | -59.2 | 0 | 0 | 0 | 0 | 110.3 | V790 Q862 P864 | C784-V790 HydrophobicContact CB-CG2 4.48Å; C784-Q862 PolarHBondContact SG-O 2.76Å; C784-Q862 VanDerWaalsContact SG-O 3.32Å; C784-P864 HydrophobicContact CB-CG 4.48Å |
| 785 | K | 82.4 | Confident | 87.1 | Confident | 132 Ų | 132 | 52.6 Ų | 52.6 | 57% | 0.574 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -31.4 | -179.4 | -171.9 | -176.7 | -179.8 | 176.5 | 0 | 112 | T783 C789 I791 E830 | T783-K785 PolarHBondContact O-N 2.69Å; K785-C789 HydrophobicContact CB-CB 4.29Å; K785-C789 PolarHBondContact N-O 3.47Å; K785-I791 HydrophobicContact CD-CD1 4.22Å; K785-E830 VanDerWaalsContact CD-OE1 3.31Å; K785-E830 WeakPolarHBondContact CD-OE1 3.35Å; K785-E830 IonicContact NZ-OE1 3.14Å; K785-E830 PolarHBondContact NZ-OE1 3Å |
| 786 | S | 81.7 | Confident | 87.2 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 28% | 0.28 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 172.5 | 172.6 | 75.2 | 0 | 0 | 0 | 0 | 109.8 | S788 C789 | S786-S788 PolarHBondContact O-N 2.52Å; S786-S788 PolarHBondContact OG-N 3.45Å; S786-S788 PolarHBondContact OG-OG 3.12Å; S786-C789 PolarHBondContact N-O 3.38Å; S786-C789 VanDerWaalsContact N-O 3.13Å; S786-C789 PolarHBondContact O-N 3.43Å; S786-C789 VanDerWaalsContact O-O 3.12Å; S786-C789 VanDerWaalsContact OG-CB 3.27Å; S786-C789 WeakPolarHBondContact OG-CB 3.47Å; S786-C789 PolarHBondContact OG-N 2.77Å |
| 787 | P | 81.8 | Confident | 87.1 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 24% | 0.24 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -14.1 | 171.5 | -28.6 | 37.4 | 0 | 0 | 0 | 115.6 | P836 T863 P864 | P787-P836 HydrophobicContact CB-CB 4.01Å; P787-P836 HydrophobicContact CB-CG 3.93Å; P787-P836 WeakPolarHBondContact O-CA 3.5Å; P787-T863 WeakPolarHBondContact O-CB 3.47Å; P787-P864 WeakPolarHBondContact CB-O 3.33Å; P787-P864 HydrophobicContact CG-CG 4.17Å |
| 788 | S | 83.3 | Confident | 86.7 | Confident | 56 Ų | 56 | 51.4 Ų | 51.4 | 39% | 0.392 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 11.4 | -180 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | S786 K832 G833 L834 | S786-S788 PolarHBondContact O-N 2.52Å; S786-S788 PolarHBondContact OG-N 3.45Å; S786-S788 PolarHBondContact OG-OG 3.12Å; S788-K832 CarbonylContact O-C 3.55Å; S788-G833 PolarHBondContact O-N 2.88Å; S788-L834 VanDerWaalsContact CA-O 3.27Å; S788-L834 WeakPolarHBondContact CA-O 3.47Å; S788-L834 VanDerWaalsContact CB-O 3.23Å; S788-L834 WeakPolarHBondContact CB-O 3.38Å; S788-L834 PolarHBondContact O-N 2.9Å; S788-L834 VanDerWaalsContact O-N 3.11Å |
| 789 | C | 85.3 | Confident | 86 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 125.1 | -175.3 | -170.9 | 0 | 0 | 0 | 0 | 112.7 | K785 S786 M831 | K785-C789 HydrophobicContact CB-CB 4.29Å; K785-C789 PolarHBondContact N-O 3.47Å; S786-C789 PolarHBondContact N-O 3.38Å; S786-C789 VanDerWaalsContact N-O 3.13Å; S786-C789 PolarHBondContact O-N 3.43Å; S786-C789 VanDerWaalsContact O-O 3.12Å; S786-C789 VanDerWaalsContact OG-CB 3.27Å; S786-C789 WeakPolarHBondContact OG-CB 3.47Å; S786-C789 PolarHBondContact OG-N 2.77Å; C789-M831 VanDerWaalsContact CA-O 3.26Å; C789-M831 WeakPolarHBondContact CA-O 3.49Å; C789-M831 PolarHBondContact SG-O 3.28Å |
| 790 | V | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133 | 175.2 | 175.8 | 0 | 0 | 0 | 0 | 109 | C784 V792 M831 L834 T863 | C784-V790 HydrophobicContact CB-CG2 4.48Å; V790-V792 HydrophobicContact CG1-CG2 4.27Å; V790-M831 PolarHBondContact N-O 3.3Å; V790-M831 WeakPolarHBondContact O-CB 3.45Å; V790-M831 PolarHBondContact O-N 2.85Å; V790-L834 HydrophobicContact CB-CD1 3.83Å; V790-L834 HydrophobicContact CG2-CD1 3.63Å; V790-T863 HydrophobicContact CG2-CG2 4.06Å |
| 791 | I | 90.4 | Very high | 84.9 | Confident | 53 Ų | 53 | 48 Ų | 48 | 27% | 0.272 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.2 | 169 | -62.7 | 169 | 0 | 0 | 0 | 107.5 | T782 T783 K785 H829 E830 | T782-I791 CarbonylContact C-O 3.52Å; T782-I791 WeakPolarHBondContact CA-O 3.32Å; T783-I791 PolarHBondContact N-O 2.76Å; T783-I791 PolarHBondContact O-N 3.04Å; K785-I791 HydrophobicContact CD-CD1 4.22Å; I791-H829 WeakPolarHBondContact CA-O 3.21Å; I791-E830 HydrophobicContact CG1-CB 4.34Å; I791-E830 HydrophobicContact CG1-CG 4Å |
| 792 | V | 91.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136.2 | 172.4 | -170.4 | 0 | 0 | 0 | 0 | 108.3 | P780 T782 V790 W794 L809 S828 H829 M831 | P780-V792 HydrophobicContact CB-CG1 3.69Å; P780-V792 HydrophobicContact CG-CG1 4.19Å; T782-V792 HydrophobicContact CG2-CG1 4.32Å; T782-V792 HydrophobicContact CG2-CG2 4.26Å; V790-V792 HydrophobicContact CG1-CG2 4.27Å; V792-W794 HydrophobicContact CB-CZ3 4.39Å; V792-W794 HydrophobicContact CG1-CE3 4.25Å; V792-W794 HydrophobicContact CG1-CZ3 4.29Å; V792-L809 HydrophobicContact CB-CD1 4.48Å; V792-L809 HydrophobicContact CB-CD2 3.99Å; V792-L809 HydrophobicContact CG1-CD1 3.83Å; V792-L809 HydrophobicContact CG1-CD2 4.24Å; V792-L809 HydrophobicContact CG2-CD2 4.3Å; V792-S828 CarbonylContact O-C 3.57Å; V792-S828 WeakPolarHBondContact O-CA 3.45Å; V792-S828 WeakPolarHBondContact O-CB 3.46Å; V792-H829 PolarHBondContact N-O 3.39Å; V792-H829 PolarHBondContact O-N 3.22Å; V792-M831 HydrophobicContact CG2-CG 4.48Å; V792-M831 HydrophobicContact CG2-SD 3.54Å; V792-M831 VanDerWaalsContact CG2-SD 3.54Å |
| 793 | S | 91.6 | Very high | 84.3 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 150 | -175.7 | 59 | 0 | 0 | 0 | 0 | 111.6 | P780 A781 L827 | P780-S793 CarbonylContact C-O 3.51Å; P780-S793 VanDerWaalsContact CA-O 3.31Å; P780-S793 WeakPolarHBondContact CA-O 3.17Å; P780-S793 WeakPolarHBondContact CB-O 3.34Å; A781-S793 PolarHBondContact N-O 2.85Å; A781-S793 PolarHBondContact O-N 2.7Å; A781-S793 PolarHBondContact O-OG 2.74Å; S793-L827 WeakPolarHBondContact CA-O 3.4Å |
| 794 | W | 92.9 | Very high | 84.3 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | trans | -149.4 | 157.8 | -173.5 | 53.2 | 91.4 | 0 | 0 | 0 | 112.1 | P780 V792 F807 L809 Y822 G826 L827 H829 V844 | P780-W794 HydrophobicContact CB-CB 4.38Å; V792-W794 HydrophobicContact CB-CZ3 4.39Å; V792-W794 HydrophobicContact CG1-CE3 4.25Å; V792-W794 HydrophobicContact CG1-CZ3 4.29Å; W794-F807 AromaticContact CD1-CD1 3.54Å; W794-F807 AromaticContact CD1-CE1 3.69Å; W794-F807 AromaticContact CD1-CG 3.92Å; W794-F807 HydrophobicContact CZ2-CB 4.03Å; W794-F807 AromaticContact NE1-CD1 3.31Å; W794-F807 VanDerWaalsContact NE1-CD1 3.31Å; W794-F807 AromaticContact NE1-CD2 3.58Å; W794-F807 AromaticContact NE1-CE1 3.81Å; W794-F807 AromaticContact NE1-CG 3.17Å; W794-L809 HydrophobicContact CH2-CB 4.37Å; W794-L809 HydrophobicContact CH2-CD2 4.35Å; W794-L809 HydrophobicContact CZ3-CD1 4.2Å; W794-L809 HydrophobicContact CZ3-CD2 3.99Å; W794-L809 HydrophobicContact CZ3-CG 4.48Å; W794-Y822 AromaticContact CH2-CD1 3.86Å; W794-Y822 HydrophobicContact CH2-CD1 3.86Å; W794-Y822 HydrophobicContact CH2-CE1 4.25Å; W794-Y822 AromaticContact CZ2-CD1 3.9Å; W794-Y822 HydrophobicContact CZ2-CD1 3.9Å; W794-Y822 AromaticContact CZ2-CE1 3.95Å; W794-Y822 HydrophobicContact CZ2-CE1 3.95Å; W794-G826 WeakPolarHBondContact CZ2-O 3.45Å; W794-G826 PolarHBondContact NE1-O 2.79Å; W794-G826 VanDerWaalsContact NE1-O 3.11Å; W794-L827 PolarHBondContact N-O 3Å; W794-H829 HydrophobicContact CH2-CB 3.95Å; W794-H829 HydrophobicContact CZ3-CB 4.24Å; W794-V844 HydrophobicContact CB-CG1 3.91Å; W794-V844 HydrophobicContact CD2-CB 4.47Å; W794-V844 HydrophobicContact CD2-CG1 4.48Å; W794-V844 HydrophobicContact CD2-CG2 3.91Å; W794-V844 HydrophobicContact CE3-CG2 4.42Å; W794-V844 HydrophobicContact CG-CG1 4.09Å; W794-V844 HydrophobicContact CG-CG2 4.05Å; W794-V844 HydrophobicContact CZ2-CG2 4.47Å | ||
| 795 | E | 88.9 | Confident | 84.6 | Confident | 114 Ų | 114 | 45.8 Ų | 45.8 | 53% | 0.533 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 153.6 | 172.3 | -64.9 | 178.3 | -167.7 | 0 | 0 | 110.5 | K778 | K778-E795 WeakPolarHBondContact CD-OE2 3.39Å; K778-E795 WeakPolarHBondContact CE-OE2 3.08Å; K778-E795 IonicContact NZ-OE1 2.66Å; K778-E795 PolarHBondContact NZ-OE1 2.92Å; K778-E795 IonicContact NZ-OE2 2.76Å; K778-E795 PolarHBondContact NZ-OE2 3.06Å |
| 796 | S | 85.8 | Confident | 85 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 129.8 | 168.3 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 797 | P | 85.9 | Confident | 85.6 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 7% | 0.065 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 164.8 | 171.7 | 29.8 | -35.3 | 0 | 0 | 0 | 111.4 | P774 E775 C799 V804 A846 | P774-P797 HydrophobicContact CB-CG 3.99Å; E775-P797 HydrophobicContact CB-CB 4.44Å; E775-P797 WeakPolarHBondContact O-CB 3.4Å; P797-C799 PolarHBondContact O-N 2.82Å; P797-V804 HydrophobicContact CG-CG2 4.21Å; P797-A846 HydrophobicContact CG-CB 3.64Å |
| 798 | P | 78.1 | Confident | 86.1 | Confident | 79 Ų | 79 | 41.7 Ų | 41.7 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 135.8 | 173.7 | -27.2 | 37.1 | 0 | 0 | 0 | 112.8 | E775 N800 | E775-P798 WeakPolarHBondContact OE2-CG 3.26Å; P798-N800 PolarHBondContact O-N 2.82Å |
| 799 | C | 72.6 | Confident | 86.5 | Confident | 64 Ų | 64 | 39 Ų | 39 | 43% | 0.432 | 23% | 0.234 | S | C | . | . | trans | -78.5 | 106.9 | -179.1 | -68.6 | 0 | 0 | 0 | 0 | 111.1 | P797 G801 | P797-C799 PolarHBondContact O-N 2.82Å; C799-G801 PolarHBondContact O-N 2.92Å | ||
| 800 | N | 80.7 | Confident | 86.8 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.064 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -73.1 | 54.6 | 178 | -88 | -17.2 | 0 | 0 | 0 | 113 | P742 P771 G772 A773 E775 P798 A802 | P742-N800 HydrophobicContact CB-CB 3.98Å; P742-N800 HydrophobicContact CG-CB 4.35Å; P771-N800 CarbonylContact C-O 3.5Å; P771-N800 VanDerWaalsContact CA-O 3.28Å; P771-N800 WeakPolarHBondContact CA-O 3.44Å; G772-N800 PolarHBondContact N-O 2.78Å; A773-N800 WeakPolarHBondContact O-CB 3.19Å; A773-N800 PolarHBondContact O-ND2 2.87Å; E775-N800 VanDerWaalsContact CG-ND2 3.26Å; E775-N800 WeakPolarHBondContact CG-ND2 3.25Å; P798-N800 PolarHBondContact O-N 2.82Å; N800-A802 VanDerWaalsContact C-N 3.25Å; N800-A802 PolarHBondContact O-N 3.42Å |
| 801 | G | 74 | Confident | 86.9 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 49% | 0.485 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 81.1 | -7.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G743 C799 | G743-G801 VanDerWaalsContact CA-CA 3.48Å; C799-G801 PolarHBondContact O-N 2.92Å |
| 802 | A | 82.8 | Confident | 86.8 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -140.3 | 142.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P771 N800 N848 V849 | P771-A802 HydrophobicContact CB-CB 3.81Å; N800-A802 VanDerWaalsContact C-N 3.25Å; N800-A802 PolarHBondContact O-N 3.42Å; A802-N848 HydrophobicContact CB-CB 4.37Å; A802-N848 PolarHBondContact O-ND2 2.97Å; A802-V849 HydrophobicContact CB-CG2 3.79Å |
| 803 | P | 83.2 | Confident | 86.3 | Confident | 87 Ų | 87 | 44.4 Ų | 44.4 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | trans | -67.3 | 146.2 | 178.9 | 29.6 | -35.5 | 0 | 0 | 0 | 111.3 | N848 | P803-N848 WeakPolarHBondContact O-CB 3.26Š| ||
| 804 | V | 87.1 | Confident | 85.7 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 131.7 | 170.4 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | P774 P797 F807 A846 V847 | P774-V804 HydrophobicContact CB-CG2 4.25Å; P774-V804 HydrophobicContact CG-CG2 4.09Å; P797-V804 HydrophobicContact CG-CG2 4.21Å; V804-F807 HydrophobicContact CB-CZ 4.39Å; V804-F807 HydrophobicContact CG1-CD1 4.45Å; V804-F807 HydrophobicContact CG1-CD2 4.33Å; V804-F807 HydrophobicContact CG1-CE1 3.98Å; V804-F807 HydrophobicContact CG1-CE2 3.83Å; V804-F807 HydrophobicContact CG1-CZ 3.64Å; V804-A846 HydrophobicContact CG1-CB 3.83Å; V804-A846 HydrophobicContact CG2-CB 4.19Å; V804-V847 WeakPolarHBondContact CG1-O 3.41Å |
| 805 | T | 88.3 | Confident | 84.8 | Confident | 71 Ų | 71 | 49.6 Ų | 49.6 | 44% | 0.436 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -25.1 | -176.8 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | V847 V849 | T805-V847 PolarHBondContact N-O 3.19Å; T805-V847 PolarHBondContact OG1-O 3.06Å; T805-V849 HydrophobicContact CG2-CG1 4.39Å |
| 806 | E | 91.3 | Very high | 84 | Confident | 35 Ų | 35 | 48.3 Ų | 48.3 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 144.2 | -174.2 | -168.6 | -150.2 | 145.5 | 0 | 0 | 109.5 | R808 S823 V847 | E806-R808 WeakPolarHBondContact OE1-CD 3.45Å; E806-R808 WeakPolarHBondContact OE1-CG 3.5Å; E806-R808 IonicContact OE1-CZ 3.84Å; E806-R808 IonicContact OE1-NE 2.73Å; E806-R808 PolarHBondContact OE1-NE 2.91Å; E806-R808 IonicContact OE1-NH2 3.13Å; E806-R808 PolarHBondContact OE1-NH2 3.23Å; E806-R808 IonicContact OE2-CZ 2.68Å; E806-R808 IonicContact OE2-NE 2.69Å; E806-R808 IonicContact OE2-NH2 2.65Å; E806-R808 PolarHBondContact OE2-NH2 3.06Å; E806-S823 PolarHBondContact OE1-OG 2.81Å; E806-V847 HydrophobicContact CB-CB 4.14Å; E806-V847 HydrophobicContact CB-CG2 4.44Å; E806-V847 PolarHBondContact N-O 2.83Å; E806-V847 PolarHBondContact O-N 3.06Å |
| 807 | F | 92.9 | Very high | 83.7 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.4 | 166.2 | -63.6 | -89.8 | 0 | 0 | 0 | 109.5 | W794 V804 S823 G824 G826 L827 V844 Q845 A846 | W794-F807 AromaticContact CD1-CD1 3.54Å; W794-F807 AromaticContact CD1-CE1 3.69Å; W794-F807 AromaticContact CD1-CG 3.92Å; W794-F807 HydrophobicContact CZ2-CB 4.03Å; W794-F807 AromaticContact NE1-CD1 3.31Å; W794-F807 VanDerWaalsContact NE1-CD1 3.31Å; W794-F807 AromaticContact NE1-CD2 3.58Å; W794-F807 AromaticContact NE1-CE1 3.81Å; W794-F807 AromaticContact NE1-CG 3.17Å; V804-F807 HydrophobicContact CB-CZ 4.39Å; V804-F807 HydrophobicContact CG1-CD1 4.45Å; V804-F807 HydrophobicContact CG1-CD2 4.33Å; V804-F807 HydrophobicContact CG1-CE1 3.98Å; V804-F807 HydrophobicContact CG1-CE2 3.83Å; V804-F807 HydrophobicContact CG1-CZ 3.64Å; F807-S823 WeakPolarHBondContact O-CA 3.23Å; F807-G824 PolarHBondContact N-O 2.83Å; F807-G824 PolarHBondContact O-N 2.84Å; F807-G826 VanDerWaalsContact CD2-O 3.26Å; F807-G826 WeakPolarHBondContact CD2-O 3.25Å; F807-L827 HydrophobicContact CD2-CD2 4.36Å; F807-L827 HydrophobicContact CE1-CD2 4.38Å; F807-L827 HydrophobicContact CE2-CD2 3.56Å; F807-L827 HydrophobicContact CZ-CD2 3.57Å; F807-V844 HydrophobicContact CB-CG2 4.15Å; F807-V844 HydrophobicContact CD1-CG2 4.26Å; F807-Q845 CarbonylContact C-O 3.52Å; F807-Q845 WeakPolarHBondContact CA-O 3.43Å; F807-A846 HydrophobicContact CD1-CB 3.92Å; F807-A846 HydrophobicContact CE1-CB 3.84Å |
| 808 | R | 92.6 | Very high | 83.7 | Confident | 79 Ų | 79 | 49.2 Ų | 49.2 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 119.4 | 173.3 | -63.6 | 177.7 | -175.1 | 160.1 | 12.5 | 109.7 | E806 Y822 V844 Q845 | E806-R808 WeakPolarHBondContact OE1-CD 3.45Å; E806-R808 WeakPolarHBondContact OE1-CG 3.5Å; E806-R808 IonicContact OE1-CZ 3.84Å; E806-R808 IonicContact OE1-NE 2.73Å; E806-R808 PolarHBondContact OE1-NE 2.91Å; E806-R808 IonicContact OE1-NH2 3.13Å; E806-R808 PolarHBondContact OE1-NH2 3.23Å; E806-R808 IonicContact OE2-CZ 2.68Å; E806-R808 IonicContact OE2-NE 2.69Å; E806-R808 IonicContact OE2-NH2 2.65Å; E806-R808 PolarHBondContact OE2-NH2 3.06Å; R808-Y822 VanDerWaalsContact CA-O 3.32Å; R808-Y822 WeakPolarHBondContact CA-O 3.49Å; R808-V844 WeakPolarHBondContact O-CA 3.4Å; R808-Q845 HydrophobicContact CB-CG 3.82Å; R808-Q845 PolarHBondContact N-O 2.97Å; R808-Q845 PolarHBondContact O-N 2.94Å |
| 809 | L | 92.4 | Very high | 84 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126 | 174.9 | -176.2 | 68.9 | 0 | 0 | 0 | 109.2 | V792 W794 V820 C821 Y822 H829 M831 C842 V844 | V792-L809 HydrophobicContact CB-CD1 4.48Å; V792-L809 HydrophobicContact CB-CD2 3.99Å; V792-L809 HydrophobicContact CG1-CD1 3.83Å; V792-L809 HydrophobicContact CG1-CD2 4.24Å; V792-L809 HydrophobicContact CG2-CD2 4.3Å; W794-L809 HydrophobicContact CH2-CB 4.37Å; W794-L809 HydrophobicContact CH2-CD2 4.35Å; W794-L809 HydrophobicContact CZ3-CD1 4.2Å; W794-L809 HydrophobicContact CZ3-CD2 3.99Å; W794-L809 HydrophobicContact CZ3-CG 4.48Å; L809-V820 WeakPolarHBondContact O-CA 3.46Å; L809-C821 PolarHBondContact O-N 3.47Å; L809-C821 PolarHBondContact O-SG 3.06Å; L809-Y822 PolarHBondContact N-O 3.19Å; L809-Y822 PolarHBondContact O-N 2.76Å; L809-H829 HydrophobicContact CD2-CB 4.08Å; L809-M831 HydrophobicContact CD2-SD 4.27Å; L809-C842 HydrophobicContact CD1-CB 4.44Å; L809-V844 HydrophobicContact CD1-CB 4.14Å |
| 810 | E | 92.1 | Very high | 84.8 | Confident | 28 Ų | 28 | 53 Ų | 53 | 13% | 0.131 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 147.2 | 168.1 | -73 | -175.4 | 168.2 | 0 | 0 | 110.8 | M818 Q819 V820 C842 R843 F855 | E810-M818 HydrophobicContact CB-CB 4.06Å; E810-M818 HydrophobicContact CB-SD 4.37Å; E810-Q819 VanDerWaalsContact CA-O 3.29Å; E810-Q819 WeakPolarHBondContact CA-O 3.31Å; E810-V820 HydrophobicContact CG-CB 4.47Å; E810-V820 HydrophobicContact CG-CG2 3.73Å; E810-C842 CarbonylContact O-C 3.53Å; E810-C842 VanDerWaalsContact O-CA 3.25Å; E810-C842 WeakPolarHBondContact O-CA 3.42Å; E810-R843 HydrophobicContact CB-CG 4.04Å; E810-R843 PolarHBondContact N-O 2.87Å; E810-R843 PolarHBondContact O-N 2.93Å; E810-R843 IonicContact OE2-CZ 2.74Å; E810-R843 IonicContact OE2-NE 3.2Å; E810-R843 PolarHBondContact OE2-NE 3.49Å; E810-R843 IonicContact OE2-NH2 2.68Å; E810-R843 PolarHBondContact OE2-NH2 2.82Å; E810-F855 HydrophobicContact CB-CE1 4.32Å; E810-F855 VanDerWaalsContact CD-CE1 3.47Å; E810-F855 HydrophobicContact CG-CE1 3.79Å; E810-F855 HydrophobicContact CG-CZ 4.05Å; E810-F855 VanDerWaalsContact OE1-CZ 3.26Å; E810-F855 WeakPolarHBondContact OE1-CZ 3.49Å; E810-F855 WeakPolarHBondContact OE2-CE1 3.42Å; E810-F855 VanDerWaalsContact OE2-CZ 3.22Å; E810-F855 WeakPolarHBondContact OE2-CZ 3.3Å |
| 811 | W | 90.8 | Very high | 85 | Confident | 80 Ų | 80 | 54.4 Ų | 54.4 | 30% | 0.303 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 152.5 | 176 | 78.2 | -62 | 0 | 0 | 0 | 111.6 | M818 Q819 C821 M831 L834 Y840 F841 | W811-M818 CarbonylContact O-C 3.46Å; W811-M818 WeakPolarHBondContact O-CA 3.49Å; W811-Q819 VanDerWaalsContact CD1-O 3.24Å; W811-Q819 PolarHBondContact N-O 3.27Å; W811-Q819 PolarHBondContact O-N 3.22Å; W811-C821 HydrophobicContact CG-CB 4.32Å; W811-M831 HydrophobicContact CB-CE 3.57Å; W811-M831 HydrophobicContact CB-SD 4.11Å; W811-M831 HydrophobicContact CD2-CE 3.61Å; W811-M831 HydrophobicContact CE3-CE 3.45Å; W811-M831 VanDerWaalsContact CE3-CE 3.45Å; W811-M831 HydrophobicContact CG-CE 3.67Å; W811-M831 HydrophobicContact CG-SD 4.45Å; W811-M831 HydrophobicContact CZ3-CE 4.36Å; W811-L834 HydrophobicContact CE3-CD2 3.85Å; W811-L834 HydrophobicContact CH2-CD2 4.02Å; W811-L834 HydrophobicContact CZ3-CD2 3.32Å; W811-Y840 AromaticContact CE3-CD1 3.75Å; W811-Y840 HydrophobicContact CE3-CD1 3.75Å; W811-Y840 HydrophobicContact CE3-CE1 4.09Å; W811-Y840 HydrophobicContact CE3-CG 4.45Å; W811-Y840 AromaticContact CZ3-CD1 3.69Å; W811-Y840 HydrophobicContact CZ3-CD1 3.69Å; W811-Y840 AromaticContact CZ3-CE1 3.52Å; W811-Y840 HydrophobicContact CZ3-CE1 3.52Å; W811-F841 CarbonylContact C-O 3.49Å; W811-F841 WeakPolarHBondContact CA-O 3.4Å |
| 812 | G | 87.5 | Confident | 85.8 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 6% | 0.062 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 160.9 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | A814 Y840 F841 | G812-A814 VanDerWaalsContact C-N 3.26Å; G812-A814 PolarHBondContact O-N 3.06Å; G812-Y840 WeakPolarHBondContact O-CA 3.43Å; G812-F841 PolarHBondContact N-O 2.8Å; G812-F841 PolarHBondContact O-N 2.82Å |
| 813 | A | 80.9 | Confident | 86.2 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 51% | 0.512 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -74.8 | -15.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y840 | A813-Y840 HydrophobicContact CB-CD1 4.38Å; A813-Y840 HydrophobicContact CB-CE1 4.24Å |
| 814 | A | 78.9 | Confident | 86.5 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -139.7 | 151.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G812 G816 S817 | G812-A814 VanDerWaalsContact C-N 3.26Å; G812-A814 PolarHBondContact O-N 3.06Å; A814-G816 VanDerWaalsContact C-N 3.28Å; A814-G816 PolarHBondContact O-N 3.05Å; A814-S817 PolarHBondContact O-N 3.22Å; A814-S817 VanDerWaalsContact O-N 3.08Å; A814-S817 PolarHBondContact O-OG 2.69Å |
| 815 | E | 74.1 | Confident | 86.6 | Confident | 115 Ų | 115 | 57.6 Ų | 57.6 | 54% | 0.537 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -62.4 | -33.4 | -172.1 | -163.8 | -179.5 | 178.9 | 0 | 0 | 113.4 | S817 M818 F841 | E815-S817 VanDerWaalsContact C-N 3.35Å; E815-S817 PolarHBondContact O-N 2.87Å; E815-M818 HydrophobicContact CB-CE 4.27Å; E815-M818 HydrophobicContact CG-CE 3.66Å; E815-F841 HydrophobicContact CB-CG 4.48Å |
| 816 | G | 71.4 | Confident | 86.5 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 90% | 0.897 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -82.2 | -0.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.8 | A814 | A814-G816 VanDerWaalsContact C-N 3.28Å; A814-G816 PolarHBondContact O-N 3.05Å |
| 817 | S | 80.8 | Confident | 86.5 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 49% | 0.49 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -126.9 | 22.4 | -175.5 | 62.6 | 0 | 0 | 0 | 0 | 114.1 | A814 E815 | A814-S817 PolarHBondContact O-N 3.22Å; A814-S817 VanDerWaalsContact O-N 3.08Å; A814-S817 PolarHBondContact O-OG 2.69Å; E815-S817 VanDerWaalsContact C-N 3.35Å; E815-S817 PolarHBondContact O-N 2.87Å |
| 818 | M | 85.3 | Confident | 86.4 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | trans | -66.6 | 149.3 | 178.1 | -53.4 | -166.8 | -148.3 | 0 | 0 | 113.1 | E810 W811 E815 F841 R843 A858 | E810-M818 HydrophobicContact CB-CB 4.06Å; E810-M818 HydrophobicContact CB-SD 4.37Å; W811-M818 CarbonylContact O-C 3.46Å; W811-M818 WeakPolarHBondContact O-CA 3.49Å; E815-M818 HydrophobicContact CB-CE 4.27Å; E815-M818 HydrophobicContact CG-CE 3.66Å; M818-F841 HydrophobicContact CE-CB 3.67Å; M818-F841 HydrophobicContact SD-CB 4.3Å; M818-R843 HydrophobicContact CE-CG 4.36Å; M818-R843 HydrophobicContact SD-CG 3.76Å; M818-A858 HydrophobicContact CE-CB 3.92Å | ||
| 819 | Q | 84.9 | Confident | 86.4 | Confident | 143 Ų | 143 | 59.7 Ų | 59.7 | 67% | 0.668 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 153.9 | 174.7 | -60.1 | -171.2 | 5.9 | 0 | 0 | 110.9 | E810 W811 C821 | E810-Q819 VanDerWaalsContact CA-O 3.29Å; E810-Q819 WeakPolarHBondContact CA-O 3.31Å; W811-Q819 VanDerWaalsContact CD1-O 3.24Å; W811-Q819 PolarHBondContact N-O 3.27Å; W811-Q819 PolarHBondContact O-N 3.22Å; Q819-C821 PolarHBondContact O-N 3.16Å |
| 820 | V | 88 | Confident | 86.3 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 47% | 0.473 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 120 | 179 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | L809 E810 Y822 | L809-V820 WeakPolarHBondContact O-CA 3.46Å; E810-V820 HydrophobicContact CG-CB 4.47Å; E810-V820 HydrophobicContact CG-CG2 3.73Å; V820-Y822 WeakPolarHBondContact CG1-O 3.16Å |
| 821 | C | 86.3 | Confident | 86 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 29% | 0.291 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -23.1 | 173 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | L809 W811 Q819 | L809-C821 PolarHBondContact O-N 3.47Å; L809-C821 PolarHBondContact O-SG 3.06Å; W811-C821 HydrophobicContact CG-CB 4.32Å; Q819-C821 PolarHBondContact O-N 3.16Å |
| 822 | Y | 90.6 | Very high | 85.8 | Confident | 49 Ų | 49 | 64.4 Ų | 64.4 | 19% | 0.192 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 141.8 | 177.6 | -179.8 | -101 | 0 | 0 | 0 | 111.9 | W794 R808 L809 V820 G824 G826 H829 | W794-Y822 AromaticContact CH2-CD1 3.86Å; W794-Y822 HydrophobicContact CH2-CD1 3.86Å; W794-Y822 HydrophobicContact CH2-CE1 4.25Å; W794-Y822 AromaticContact CZ2-CD1 3.9Å; W794-Y822 HydrophobicContact CZ2-CD1 3.9Å; W794-Y822 AromaticContact CZ2-CE1 3.95Å; W794-Y822 HydrophobicContact CZ2-CE1 3.95Å; R808-Y822 VanDerWaalsContact CA-O 3.32Å; R808-Y822 WeakPolarHBondContact CA-O 3.49Å; L809-Y822 PolarHBondContact N-O 3.19Å; L809-Y822 PolarHBondContact O-N 2.76Å; V820-Y822 WeakPolarHBondContact CG1-O 3.16Å; Y822-G824 WeakPolarHBondContact CE1-O 3.28Å; Y822-G824 WeakPolarHBondContact OH-CA 3.44Å; Y822-G826 WeakPolarHBondContact OH-CA 3.28Å; Y822-G826 PolarHBondContact OH-N 2.97Å; Y822-H829 HydrophobicContact CD2-CB 4.46Å; Y822-H829 AromaticContact CD2-CE1 3.95Å; Y822-H829 AromaticContact CD2-ND1 3.36Å; Y822-H829 WeakPolarHBondContact CD2-ND1 3.46Å; Y822-H829 HydrophobicContact CG-CB 4.19Å; Y822-H829 AromaticContact CG-ND1 3.8Å |
| 823 | S | 90.3 | Very high | 85.6 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 53% | 0.531 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 113.5 | 175.3 | 155.5 | 0 | 0 | 0 | 0 | 107 | E806 F807 | E806-S823 PolarHBondContact OE1-OG 2.81Å; F807-S823 WeakPolarHBondContact O-CA 3.23Å |
| 824 | G | 89.4 | Confident | 85.8 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 9% | 0.093 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.8 | 177.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F807 Y822 G826 | F807-G824 PolarHBondContact N-O 2.83Å; F807-G824 PolarHBondContact O-N 2.84Å; Y822-G824 WeakPolarHBondContact CE1-O 3.28Å; Y822-G824 WeakPolarHBondContact OH-CA 3.44Å; G824-G826 VanDerWaalsContact C-N 3.26Å; G824-G826 PolarHBondContact O-N 2.83Å |
| 825 | P | 89.6 | Confident | 85.9 | Confident | 103 Ų | 103 | 67.7 Ų | 67.7 | 67% | 0.669 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -80.8 | 3.6 | -172.6 | 33.6 | -37.6 | 0 | 0 | 0 | 114.8 | ||
| 826 | G | 87.6 | Confident | 86.3 | Confident | 23 Ų | 23 | 63.1 Ų | 63.1 | 24% | 0.237 | 39% | 0.391 | C | S | . | . | trans | -72.6 | 157.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | W794 F807 Y822 G824 | W794-G826 WeakPolarHBondContact CZ2-O 3.45Å; W794-G826 PolarHBondContact NE1-O 2.79Å; W794-G826 VanDerWaalsContact NE1-O 3.11Å; F807-G826 VanDerWaalsContact CD2-O 3.26Å; F807-G826 WeakPolarHBondContact CD2-O 3.25Å; Y822-G826 WeakPolarHBondContact OH-CA 3.28Å; Y822-G826 PolarHBondContact OH-N 2.97Å; G824-G826 VanDerWaalsContact C-N 3.26Å; G824-G826 PolarHBondContact O-N 2.83Å | ||
| 827 | L | 90.8 | Very high | 86.6 | Confident | 88 Ų | 88 | 60 Ų | 60 | 46% | 0.461 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -102.9 | 5.2 | 175.6 | -66.3 | 178 | 0 | 0 | 0 | 113.3 | S793 W794 F807 | S793-L827 WeakPolarHBondContact CA-O 3.4Å; W794-L827 PolarHBondContact N-O 3Å; F807-L827 HydrophobicContact CD2-CD2 4.36Å; F807-L827 HydrophobicContact CE1-CD2 4.38Å; F807-L827 HydrophobicContact CE2-CD2 3.56Å; F807-L827 HydrophobicContact CZ-CD2 3.57Å |
| 828 | S | 90.3 | Very high | 86.6 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 158.5 | 173.6 | 61.6 | 0 | 0 | 0 | 0 | 112.6 | V792 | V792-S828 CarbonylContact O-C 3.57Å; V792-S828 WeakPolarHBondContact O-CA 3.45Å; V792-S828 WeakPolarHBondContact O-CB 3.46Å |
| 829 | H | 91.7 | Very high | 86.7 | Confident | 56 Ų | 56 | 61 Ų | 61 | 26% | 0.259 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 144.8 | 177 | -173 | 72.2 | 0 | 0 | 0 | 111.1 | I791 V792 W794 L809 Y822 | I791-H829 WeakPolarHBondContact CA-O 3.21Å; V792-H829 PolarHBondContact N-O 3.39Å; V792-H829 PolarHBondContact O-N 3.22Å; W794-H829 HydrophobicContact CH2-CB 3.95Å; W794-H829 HydrophobicContact CZ3-CB 4.24Å; L809-H829 HydrophobicContact CD2-CB 4.08Å; Y822-H829 HydrophobicContact CD2-CB 4.46Å; Y822-H829 AromaticContact CD2-CE1 3.95Å; Y822-H829 AromaticContact CD2-ND1 3.36Å; Y822-H829 WeakPolarHBondContact CD2-ND1 3.46Å; Y822-H829 HydrophobicContact CG-CB 4.19Å; Y822-H829 AromaticContact CG-ND1 3.8Å |
| 830 | E | 91.1 | Very high | 86.9 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 28% | 0.28 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 95.3 | -177.8 | -173 | -174.6 | -155.6 | 0 | 0 | 110.2 | K785 I791 K832 | K785-E830 VanDerWaalsContact CD-OE1 3.31Å; K785-E830 WeakPolarHBondContact CD-OE1 3.35Å; K785-E830 IonicContact NZ-OE1 3.14Å; K785-E830 PolarHBondContact NZ-OE1 3Å; I791-E830 HydrophobicContact CG1-CB 4.34Å; I791-E830 HydrophobicContact CG1-CG 4Å; E830-K832 HydrophobicContact CG-CG 4.47Å; E830-K832 WeakPolarHBondContact OE2-CE 3.39Å; E830-K832 IonicContact OE2-NZ 2.73Å; E830-K832 PolarHBondContact OE2-NZ 3.49Å |
| 831 | M | 86.8 | Confident | 87 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 134.3 | 177.4 | -66.8 | 168.5 | 47.8 | 0 | 0 | 110.4 | C789 V790 V792 L809 W811 L834 | C789-M831 VanDerWaalsContact CA-O 3.26Å; C789-M831 WeakPolarHBondContact CA-O 3.49Å; C789-M831 PolarHBondContact SG-O 3.28Å; V790-M831 PolarHBondContact N-O 3.3Å; V790-M831 WeakPolarHBondContact O-CB 3.45Å; V790-M831 PolarHBondContact O-N 2.85Å; V792-M831 HydrophobicContact CG2-CG 4.48Å; V792-M831 HydrophobicContact CG2-SD 3.54Å; V792-M831 VanDerWaalsContact CG2-SD 3.54Å; L809-M831 HydrophobicContact CD2-SD 4.27Å; W811-M831 HydrophobicContact CB-CE 3.57Å; W811-M831 HydrophobicContact CB-SD 4.11Å; W811-M831 HydrophobicContact CD2-CE 3.61Å; W811-M831 HydrophobicContact CE3-CE 3.45Å; W811-M831 VanDerWaalsContact CE3-CE 3.45Å; W811-M831 HydrophobicContact CG-CE 3.67Å; W811-M831 HydrophobicContact CG-SD 4.45Å; W811-M831 HydrophobicContact CZ3-CE 4.36Å; M831-L834 HydrophobicContact CB-CD1 4.27Å; M831-L834 HydrophobicContact CE-CD1 4.4Å; M831-L834 HydrophobicContact CE-CD2 3.96Å |
| 832 | K | 86.1 | Confident | 87.2 | Confident | 139 Ų | 139 | 51.5 Ų | 51.5 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 154.5 | -173.4 | -70.6 | 169.5 | -175 | 160.1 | 0 | 111.1 | S788 E830 | S788-K832 CarbonylContact O-C 3.55Å; E830-K832 HydrophobicContact CG-CG 4.47Å; E830-K832 WeakPolarHBondContact OE2-CE 3.39Å; E830-K832 IonicContact OE2-NZ 2.73Å; E830-K832 PolarHBondContact OE2-NZ 3.49Å |
| 833 | G | 82.2 | Confident | 87.2 | Confident | 70 Ų | 70 | 52.3 Ų | 52.3 | 72% | 0.722 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 79.6 | 22.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | S788 | S788-G833 PolarHBondContact O-N 2.88Š|
| 834 | L | 85.7 | Confident | 87.4 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 152.6 | 174.3 | -55.5 | 176.2 | 0 | 0 | 0 | 110.3 | S788 V790 W811 M831 Y840 T863 | S788-L834 VanDerWaalsContact CA-O 3.27Å; S788-L834 WeakPolarHBondContact CA-O 3.47Å; S788-L834 VanDerWaalsContact CB-O 3.23Å; S788-L834 WeakPolarHBondContact CB-O 3.38Å; S788-L834 PolarHBondContact O-N 2.9Å; S788-L834 VanDerWaalsContact O-N 3.11Å; V790-L834 HydrophobicContact CB-CD1 3.83Å; V790-L834 HydrophobicContact CG2-CD1 3.63Å; W811-L834 HydrophobicContact CE3-CD2 3.85Å; W811-L834 HydrophobicContact CH2-CD2 4.02Å; W811-L834 HydrophobicContact CZ3-CD2 3.32Å; M831-L834 HydrophobicContact CB-CD1 4.27Å; M831-L834 HydrophobicContact CE-CD1 4.4Å; M831-L834 HydrophobicContact CE-CD2 3.96Å; L834-Y840 HydrophobicContact CB-CD2 4.49Å; L834-Y840 HydrophobicContact CB-CE2 3.78Å; L834-Y840 HydrophobicContact CD1-CD2 4.43Å; L834-Y840 HydrophobicContact CD2-CD2 4.26Å; L834-Y840 HydrophobicContact CD2-CE1 4.3Å; L834-Y840 HydrophobicContact CD2-CE2 4Å; L834-Y840 HydrophobicContact CD2-CG 4.49Å; L834-Y840 HydrophobicContact CG-CE2 4.31Å; L834-T863 HydrophobicContact CB-CG2 3.85Å; L834-T863 HydrophobicContact CD1-CG2 3.96Å |
| 835 | L | 81.8 | Confident | 87.5 | Confident | 108 Ų | 108 | 49.2 Ų | 49.2 | 57% | 0.565 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 139.4 | 172.3 | -62 | 175.3 | 0 | 0 | 0 | 109.6 | T838 Y840 T863 | L835-T838 WeakPolarHBondContact CB-OG1 3.22Å; L835-T838 WeakPolarHBondContact O-CB 3.1Å; L835-Y840 WeakPolarHBondContact CB-OH 3.17Å; L835-Y840 PolarHBondContact N-OH 3.01Å; L835-T863 WeakPolarHBondContact O-CB 3.48Å; L835-T863 PolarHBondContact O-OG1 2.88Å |
| 836 | P | 80.9 | Confident | 87.6 | Confident | 19 Ų | 19 | 44.3 Ų | 44.3 | 12% | 0.123 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 156.7 | 172.1 | -27.6 | 36.9 | 0 | 0 | 0 | 113.8 | P787 T838 T863 H924 | P787-P836 HydrophobicContact CB-CB 4.01Å; P787-P836 HydrophobicContact CB-CG 3.93Å; P787-P836 WeakPolarHBondContact O-CA 3.5Å; P836-T838 PolarHBondContact O-N 2.84Å; P836-T838 PolarHBondContact O-OG1 3.25Å; P836-T863 VanDerWaalsContact C-OG1 3.3Å; P836-H924 HydrophobicContact CB-CB 3.82Å; P836-H924 HydrophobicContact CG-CB 4.26Å |
| 837 | A | 78.9 | Confident | 87.7 | Confident | 21 Ų | 21 | 43.9 Ų | 43.9 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 3.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q862 T863 P864 C865 H924 | A837-Q862 PolarHBondContact O-NE2 3.47Å; A837-T863 WeakPolarHBondContact CA-O 3.4Å; A837-T863 PolarHBondContact N-O 2.81Å; A837-T863 PolarHBondContact N-OG1 2.93Å; A837-T863 VanDerWaalsContact N-OG1 3.12Å; A837-P864 PolarHBondContact N-O 2.81Å; A837-C865 HydrophobicContact CB-CB 4.47Å; A837-H924 WeakPolarHBondContact CB-O 3.4Å |
| 838 | T | 81.4 | Confident | 87.6 | Confident | 42 Ų | 42 | 40 Ų | 40 | 26% | 0.258 | 22% | 0.222 | S | C | . | . | trans | -90.7 | 138.1 | -169 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | L835 P836 Y840 T863 | L835-T838 WeakPolarHBondContact CB-OG1 3.22Å; L835-T838 WeakPolarHBondContact O-CB 3.1Å; P836-T838 PolarHBondContact O-N 2.84Å; P836-T838 PolarHBondContact O-OG1 3.25Å; T838-Y840 HydrophobicContact CG2-CD2 4.35Å; T838-Y840 HydrophobicContact CG2-CE1 4.06Å; T838-Y840 HydrophobicContact CG2-CE2 3.71Å; T838-Y840 WeakPolarHBondContact O-CD2 3.38Å; T838-T863 PolarHBondContact N-OG1 2.89Å; T838-T863 PolarHBondContact O-N 2.85Å; T838-T863 PolarHBondContact O-OG1 2.86Å | ||
| 839 | N | 86.3 | Confident | 87.4 | Confident | 72 Ų | 72 | 42.4 Ų | 42.4 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 127 | 174.5 | -76.8 | -23.5 | 0 | 0 | 0 | 110.5 | L860 Q862 | N839-L860 HydrophobicContact CB-CD1 3.68Å; N839-Q862 WeakPolarHBondContact OD1-CB 3.35Å; N839-Q862 WeakPolarHBondContact OD1-CG 3.45Å |
| 840 | Y | 88.4 | Confident | 86.9 | Confident | 14 Ų | 14 | 42 Ų | 42 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.4 | 173.4 | -66.5 | -72.6 | 0 | 0 | 0 | 110.1 | W811 G812 A813 L834 L835 T838 C861 T863 | W811-Y840 AromaticContact CE3-CD1 3.75Å; W811-Y840 HydrophobicContact CE3-CD1 3.75Å; W811-Y840 HydrophobicContact CE3-CE1 4.09Å; W811-Y840 HydrophobicContact CE3-CG 4.45Å; W811-Y840 AromaticContact CZ3-CD1 3.69Å; W811-Y840 HydrophobicContact CZ3-CD1 3.69Å; W811-Y840 AromaticContact CZ3-CE1 3.52Å; W811-Y840 HydrophobicContact CZ3-CE1 3.52Å; G812-Y840 WeakPolarHBondContact O-CA 3.43Å; A813-Y840 HydrophobicContact CB-CD1 4.38Å; A813-Y840 HydrophobicContact CB-CE1 4.24Å; L834-Y840 HydrophobicContact CB-CD2 4.49Å; L834-Y840 HydrophobicContact CB-CE2 3.78Å; L834-Y840 HydrophobicContact CD1-CD2 4.43Å; L834-Y840 HydrophobicContact CD2-CD2 4.26Å; L834-Y840 HydrophobicContact CD2-CE1 4.3Å; L834-Y840 HydrophobicContact CD2-CE2 4Å; L834-Y840 HydrophobicContact CD2-CG 4.49Å; L834-Y840 HydrophobicContact CG-CE2 4.31Å; L835-Y840 WeakPolarHBondContact CB-OH 3.17Å; L835-Y840 PolarHBondContact N-OH 3.01Å; T838-Y840 HydrophobicContact CG2-CD2 4.35Å; T838-Y840 HydrophobicContact CG2-CE1 4.06Å; T838-Y840 HydrophobicContact CG2-CE2 3.71Å; T838-Y840 WeakPolarHBondContact O-CD2 3.38Å; Y840-C861 PolarHBondContact N-O 2.94Å; Y840-C861 PolarHBondContact O-N 2.69Å; Y840-C861 PolarHBondContact O-SG 2.74Å; Y840-T863 HydrophobicContact CD2-CG2 4.12Å; Y840-T863 HydrophobicContact CE2-CG2 4.03Å |
| 841 | F | 90.6 | Very high | 86.6 | Confident | 50 Ų | 50 | 40.4 Ų | 40.4 | 22% | 0.219 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 142 | 168.2 | -62 | -93.4 | 0 | 0 | 0 | 108.8 | W811 G812 E815 M818 A858 V859 L860 | W811-F841 CarbonylContact C-O 3.49Å; W811-F841 WeakPolarHBondContact CA-O 3.4Å; G812-F841 PolarHBondContact N-O 2.8Å; G812-F841 PolarHBondContact O-N 2.82Å; E815-F841 HydrophobicContact CB-CG 4.48Å; M818-F841 HydrophobicContact CE-CB 3.67Å; M818-F841 HydrophobicContact SD-CB 4.3Å; F841-A858 HydrophobicContact CD1-CB 4.44Å; F841-V859 CarbonylContact C-O 3.54Å; F841-V859 WeakPolarHBondContact CA-O 3.48Å; F841-L860 HydrophobicContact CD1-CB 4.36Å; F841-L860 HydrophobicContact CE1-CB 4.24Å; F841-L860 HydrophobicContact CE1-CD1 4.34Å; F841-L860 HydrophobicContact CE2-CD1 4.42Å; F841-L860 HydrophobicContact CZ-CD1 4.23Å |
| 842 | C | 90.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 144.5 | 171.2 | 65.4 | 0 | 0 | 0 | 0 | 111.6 | T782 L809 E810 V859 | T782-C842 WeakPolarHBondContact CG2-SG 3.27Å; L809-C842 HydrophobicContact CD1-CB 4.44Å; E810-C842 CarbonylContact O-C 3.53Å; E810-C842 VanDerWaalsContact O-CA 3.25Å; E810-C842 WeakPolarHBondContact O-CA 3.42Å; C842-V859 PolarHBondContact N-O 2.85Å; C842-V859 PolarHBondContact O-N 2.83Å; C842-V859 PolarHBondContact SG-O 3.04Å |
| 843 | R | 92 | Very high | 86.8 | Confident | 65 Ų | 65 | 36.8 Ų | 36.8 | 25% | 0.245 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 147.2 | 178.6 | 65.7 | -176.2 | -174 | -167 | -1.6 | 111.1 | E810 M818 F855 S856 | E810-R843 HydrophobicContact CB-CG 4.04Å; E810-R843 PolarHBondContact N-O 2.87Å; E810-R843 PolarHBondContact O-N 2.93Å; E810-R843 IonicContact OE2-CZ 2.74Å; E810-R843 IonicContact OE2-NE 3.2Å; E810-R843 PolarHBondContact OE2-NE 3.49Å; E810-R843 IonicContact OE2-NH2 2.68Å; E810-R843 PolarHBondContact OE2-NH2 2.82Å; M818-R843 HydrophobicContact CE-CG 4.36Å; M818-R843 HydrophobicContact SD-CG 3.76Å; R843-F855 HydrophobicContact CB-CB 4.42Å; R843-F855 HydrophobicContact CB-CD1 4.42Å; R843-F855 HydrophobicContact CG-CB 4.22Å; R843-F855 HydrophobicContact CG-CD1 3.68Å; R843-F855 HydrophobicContact CG-CE1 4.27Å; R843-F855 HydrophobicContact CG-CG 4.1Å; R843-S856 WeakPolarHBondContact CA-OG 3.47Å |
| 844 | V | 92.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.6 | -176.4 | 65 | 0 | 0 | 0 | 0 | 111.4 | C777 P780 W794 F807 R808 L809 S856 | C777-V844 HydrophobicContact CB-CG1 3.77Å; P780-V844 HydrophobicContact CB-CG1 4.21Å; P780-V844 HydrophobicContact CG-CG1 4.34Å; W794-V844 HydrophobicContact CB-CG1 3.91Å; W794-V844 HydrophobicContact CD2-CB 4.47Å; W794-V844 HydrophobicContact CD2-CG1 4.48Å; W794-V844 HydrophobicContact CD2-CG2 3.91Å; W794-V844 HydrophobicContact CE3-CG2 4.42Å; W794-V844 HydrophobicContact CG-CG1 4.09Å; W794-V844 HydrophobicContact CG-CG2 4.05Å; W794-V844 HydrophobicContact CZ2-CG2 4.47Å; F807-V844 HydrophobicContact CB-CG2 4.15Å; F807-V844 HydrophobicContact CD1-CG2 4.26Å; R808-V844 WeakPolarHBondContact O-CA 3.4Å; L809-V844 HydrophobicContact CD1-CB 4.14Å; V844-S856 PolarHBondContact N-OG 2.86Å; V844-S856 PolarHBondContact O-N 2.94Å |
| 845 | Q | 92.3 | Very high | 87.3 | Confident | 21 Ų | 21 | 39 Ų | 39 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.1 | 170.1 | 60.5 | -176.1 | -13 | 0 | 0 | 110.6 | F807 R808 V852 G853 F855 | F807-Q845 CarbonylContact C-O 3.52Å; F807-Q845 WeakPolarHBondContact CA-O 3.43Å; R808-Q845 HydrophobicContact CB-CG 3.82Å; R808-Q845 PolarHBondContact N-O 2.97Å; R808-Q845 PolarHBondContact O-N 2.94Å; Q845-V852 HydrophobicContact CG-CG1 4.3Å; Q845-G853 PolarHBondContact OE1-O 2.93Å; Q845-F855 HydrophobicContact CB-CD1 3.7Å; Q845-F855 HydrophobicContact CB-CE1 4.06Å; Q845-F855 HydrophobicContact CB-CG 4.09Å; Q845-F855 HydrophobicContact CG-CD1 3.75Å; Q845-F855 HydrophobicContact CG-CE1 3.55Å; Q845-F855 HydrophobicContact CG-CG 4.43Å; Q845-F855 HydrophobicContact CG-CZ 4.07Å |
| 846 | A | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 147.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P774 P797 V804 F807 G853 | P774-A846 HydrophobicContact CB-CB 3.7Å; P774-A846 HydrophobicContact CG-CB 3.93Å; P797-A846 HydrophobicContact CG-CB 3.64Å; V804-A846 HydrophobicContact CG1-CB 3.83Å; V804-A846 HydrophobicContact CG2-CB 4.19Å; F807-A846 HydrophobicContact CD1-CB 3.92Å; F807-A846 HydrophobicContact CE1-CB 3.84Å; A846-G853 PolarHBondContact O-N 2.87Å |
| 847 | V | 90 | Very high | 88.1 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.3 | 179.5 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | V804 T805 E806 V852 | V804-V847 WeakPolarHBondContact CG1-O 3.41Å; T805-V847 PolarHBondContact N-O 3.19Å; T805-V847 PolarHBondContact OG1-O 3.06Å; E806-V847 HydrophobicContact CB-CB 4.14Å; E806-V847 HydrophobicContact CB-CG2 4.44Å; E806-V847 PolarHBondContact N-O 2.83Å; E806-V847 PolarHBondContact O-N 3.06Å; V847-V852 HydrophobicContact CG1-CG2 3.92Å; V847-V852 HydrophobicContact CG2-CB 4.49Å; V847-V852 HydrophobicContact CG2-CG1 4.29Å; V847-V852 HydrophobicContact CG2-CG2 4.07Å |
| 848 | N | 88.9 | Confident | 88.6 | Confident | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | -178.7 | 168.5 | 70.7 | 13.4 | 0 | 0 | 0 | 110.9 | G772 P774 A802 P803 A850 G851 | G772-N848 PolarHBondContact O-ND2 3.24Å; G772-N848 PolarHBondContact O-OD1 3.48Å; P774-N848 HydrophobicContact CG-CB 4Å; A802-N848 HydrophobicContact CB-CB 4.37Å; A802-N848 PolarHBondContact O-ND2 2.97Å; P803-N848 WeakPolarHBondContact O-CB 3.26Å; N848-A850 PolarHBondContact O-N 3.02Å; N848-A850 WeakPolarHBondContact OD1-CA 3.5Å; N848-A850 WeakPolarHBondContact OD1-CB 3.23Å; N848-A850 PolarHBondContact OD1-N 2.77Å; N848-G851 PolarHBondContact N-O 2.93Å; N848-G851 PolarHBondContact O-N 2.9Å; N848-G851 PolarHBondContact OD1-N 2.92Å; N848-G851 VanDerWaalsContact OD1-N 3.14Å; N848-G851 PolarHBondContact OD1-O 2.91Å |
| 849 | V | 85.5 | Confident | 89 | Confident | 120 Ų | 120 | 39.4 Ų | 39.4 | 73% | 0.727 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -9.7 | 179.4 | -61.2 | 0 | 0 | 0 | 0 | 115 | A802 T805 | A802-V849 HydrophobicContact CB-CG2 3.79Å; T805-V849 HydrophobicContact CG2-CG1 4.39Å |
| 850 | A | 82.6 | Confident | 89.1 | Confident | 46 Ų | 46 | 40.3 Ų | 40.3 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -12.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | P771 N848 | P771-A850 HydrophobicContact CB-CB 3.99Å; P771-A850 HydrophobicContact CG-CB 4.16Å; P771-A850 WeakPolarHBondContact O-CB 3.28Å; N848-A850 PolarHBondContact O-N 3.02Å; N848-A850 WeakPolarHBondContact OD1-CA 3.5Å; N848-A850 WeakPolarHBondContact OD1-CB 3.23Å; N848-A850 PolarHBondContact OD1-N 2.77Å |
| 851 | G | 84.5 | Confident | 88.9 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.1 | -175 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115 | N848 | N848-G851 PolarHBondContact N-O 2.93Å; N848-G851 PolarHBondContact O-N 2.9Å; N848-G851 PolarHBondContact OD1-N 2.92Å; N848-G851 VanDerWaalsContact OD1-N 3.14Å; N848-G851 PolarHBondContact OD1-O 2.91Å |
| 852 | V | 88.3 | Confident | 88.6 | Confident | 69 Ų | 69 | 42.9 Ų | 42.9 | 42% | 0.418 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 126.4 | 173.1 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | Q845 V847 | Q845-V852 HydrophobicContact CG-CG1 4.3Å; V847-V852 HydrophobicContact CG1-CG2 3.92Å; V847-V852 HydrophobicContact CG2-CB 4.49Å; V847-V852 HydrophobicContact CG2-CG1 4.29Å; V847-V852 HydrophobicContact CG2-CG2 4.07Å |
| 853 | G | 87.1 | Confident | 88.3 | Confident | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 166 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P774 Q845 A846 | P774-G853 WeakPolarHBondContact O-CA 3.37Å; Q845-G853 PolarHBondContact OE1-O 2.93Å; A846-G853 PolarHBondContact O-N 2.87Å |
| 854 | P | 89.5 | Confident | 87.8 | Confident | 75 Ų | 75 | 42.6 Ų | 42.6 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 152.1 | 177.8 | 28.7 | -33.4 | 0 | 0 | 0 | 111.8 | Q776 | Q776-P854 HydrophobicContact CB-CG 3.87Å; Q776-P854 HydrophobicContact CG-CB 4.45Å; Q776-P854 HydrophobicContact CG-CG 4.08Å |
| 855 | F | 89 | Confident | 87.1 | Confident | 48 Ų | 48 | 44.9 Ų | 44.9 | 21% | 0.211 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -60 | 145.2 | 169.5 | -69 | -78.7 | 0 | 0 | 0 | 111.8 | Q776 E810 R843 Q845 | Q776-F855 WeakPolarHBondContact CG-O 3.43Å; Q776-F855 PolarHBondContact NE2-O 3.11Å; E810-F855 HydrophobicContact CB-CE1 4.32Å; E810-F855 VanDerWaalsContact CD-CE1 3.47Å; E810-F855 HydrophobicContact CG-CE1 3.79Å; E810-F855 HydrophobicContact CG-CZ 4.05Å; E810-F855 VanDerWaalsContact OE1-CZ 3.26Å; E810-F855 WeakPolarHBondContact OE1-CZ 3.49Å; E810-F855 WeakPolarHBondContact OE2-CE1 3.42Å; E810-F855 VanDerWaalsContact OE2-CZ 3.22Å; E810-F855 WeakPolarHBondContact OE2-CZ 3.3Å; R843-F855 HydrophobicContact CB-CB 4.42Å; R843-F855 HydrophobicContact CB-CD1 4.42Å; R843-F855 HydrophobicContact CG-CB 4.22Å; R843-F855 HydrophobicContact CG-CD1 3.68Å; R843-F855 HydrophobicContact CG-CE1 4.27Å; R843-F855 HydrophobicContact CG-CG 4.1Å; Q845-F855 HydrophobicContact CB-CD1 3.7Å; Q845-F855 HydrophobicContact CB-CE1 4.06Å; Q845-F855 HydrophobicContact CB-CG 4.09Å; Q845-F855 HydrophobicContact CG-CD1 3.75Å; Q845-F855 HydrophobicContact CG-CE1 3.55Å; Q845-F855 HydrophobicContact CG-CG 4.43Å; Q845-F855 HydrophobicContact CG-CZ 4.07Å |
| 856 | S | 91.3 | Very high | 86.7 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 160.2 | 162.1 | 70.8 | 0 | 0 | 0 | 0 | 111.5 | C777 P780 R843 V844 | C777-S856 WeakPolarHBondContact O-CA 3.45Å; C777-S856 WeakPolarHBondContact O-CB 3.23Å; P780-S856 WeakPolarHBondContact CD-OG 3.13Å; R843-S856 WeakPolarHBondContact CA-OG 3.47Å; V844-S856 PolarHBondContact N-OG 2.86Å; V844-S856 PolarHBondContact O-N 2.94Å |
| 857 | E | 89.6 | Confident | 86.3 | Confident | 125 Ų | 125 | 47.7 Ų | 47.7 | 58% | 0.584 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -49 | 143.1 | 157.8 | -57.2 | -52.2 | 116.7 | 0 | 0 | 110.3 | Q776 V859 | Q776-E857 PolarHBondContact NE2-OE1 2.87Å; E857-V859 PolarHBondContact O-N 3.3Å |
| 858 | A | 88.3 | Confident | 86 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 122.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | M818 F841 | M818-A858 HydrophobicContact CE-CB 3.92Å; F841-A858 HydrophobicContact CD1-CB 4.44Å |
| 859 | V | 90.1 | Very high | 85.7 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.2 | 175.8 | 172 | 0 | 0 | 0 | 0 | 109.4 | A779 P780 T782 F841 C842 E857 | A779-V859 HydrophobicContact CB-CG2 3.63Å; P780-V859 HydrophobicContact CG-CB 4.32Å; P780-V859 HydrophobicContact CG-CG2 4.2Å; P780-V859 WeakPolarHBondContact O-CG2 3.42Å; T782-V859 HydrophobicContact CG2-CG1 3.84Å; F841-V859 CarbonylContact C-O 3.54Å; F841-V859 WeakPolarHBondContact CA-O 3.48Å; C842-V859 PolarHBondContact N-O 2.85Å; C842-V859 PolarHBondContact O-N 2.83Å; C842-V859 PolarHBondContact SG-O 3.04Å; E857-V859 PolarHBondContact O-N 3.3Å |
| 860 | L | 88.5 | Confident | 85.7 | Confident | 92 Ų | 92 | 44.7 Ų | 44.7 | 48% | 0.482 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 121.2 | 166.3 | 174 | 61.6 | 0 | 0 | 0 | 109.5 | N839 F841 | N839-L860 HydrophobicContact CB-CD1 3.68Å; F841-L860 HydrophobicContact CD1-CB 4.36Å; F841-L860 HydrophobicContact CE1-CB 4.24Å; F841-L860 HydrophobicContact CE1-CD1 4.34Å; F841-L860 HydrophobicContact CE2-CD1 4.42Å; F841-L860 HydrophobicContact CZ-CD1 4.23Å |
| 861 | C | 84.7 | Confident | 85.8 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.2 | 164.5 | 63.8 | 0 | 0 | 0 | 0 | 110.2 | T782 Y840 | T782-C861 HydrophobicContact CG2-CB 3.87Å; T782-C861 WeakPolarHBondContact OG1-CB 3.29Å; Y840-C861 PolarHBondContact N-O 2.94Å; Y840-C861 PolarHBondContact O-N 2.69Å; Y840-C861 PolarHBondContact O-SG 2.74Å |
| 862 | Q | 83.6 | Confident | 85.6 | Confident | 112 Ų | 112 | 44.1 Ų | 44.1 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.1 | 173.8 | -165.9 | 176 | 13.4 | 0 | 0 | 108.8 | C784 A837 N839 | C784-Q862 PolarHBondContact SG-O 2.76Å; C784-Q862 VanDerWaalsContact SG-O 3.32Å; A837-Q862 PolarHBondContact O-NE2 3.47Å; N839-Q862 WeakPolarHBondContact OD1-CB 3.35Å; N839-Q862 WeakPolarHBondContact OD1-CG 3.45Å |
| 863 | T | 85.4 | Confident | 85.2 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -65 | 139.5 | 168.6 | 45.9 | 0 | 0 | 0 | 0 | 109.4 | P787 V790 L834 L835 P836 A837 T838 Y840 | P787-T863 WeakPolarHBondContact O-CB 3.47Å; V790-T863 HydrophobicContact CG2-CG2 4.06Å; L834-T863 HydrophobicContact CB-CG2 3.85Å; L834-T863 HydrophobicContact CD1-CG2 3.96Å; L835-T863 WeakPolarHBondContact O-CB 3.48Å; L835-T863 PolarHBondContact O-OG1 2.88Å; P836-T863 VanDerWaalsContact C-OG1 3.3Å; A837-T863 WeakPolarHBondContact CA-O 3.4Å; A837-T863 PolarHBondContact N-O 2.81Å; A837-T863 PolarHBondContact N-OG1 2.93Å; A837-T863 VanDerWaalsContact N-OG1 3.12Å; T838-T863 PolarHBondContact N-OG1 2.89Å; T838-T863 PolarHBondContact O-N 2.85Å; T838-T863 PolarHBondContact O-OG1 2.86Å; Y840-T863 HydrophobicContact CD2-CG2 4.12Å; Y840-T863 HydrophobicContact CE2-CG2 4.03Å |
| 864 | P | 80.1 | Confident | 85 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 154.9 | 175.3 | 25.3 | -32.2 | 0 | 0 | 0 | 110.9 | C784 P787 A837 | C784-P864 HydrophobicContact CB-CG 4.48Å; P787-P864 WeakPolarHBondContact CB-O 3.33Å; P787-P864 HydrophobicContact CG-CG 4.17Å; A837-P864 PolarHBondContact N-O 2.81Å |
| 865 | C | 80.1 | Confident | 84.6 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -64 | 162.7 | 175.7 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | A837 H924 G925 L970 | A837-C865 HydrophobicContact CB-CB 4.47Å; C865-H924 VanDerWaalsContact CA-O 3.3Å; C865-H924 WeakPolarHBondContact CA-O 3.31Å; C865-H924 VanDerWaalsContact CB-O 3.31Å; C865-H924 WeakPolarHBondContact CB-O 3.41Å; C865-G925 PolarHBondContact SG-O 2.87Å; C865-L970 HydrophobicContact CB-CD1 3.66Å |
| 866 | S | 83.3 | Confident | 84.2 | Confident | 31 Ų | 31 | 51.4 Ų | 51.4 | 22% | 0.217 | 29% | 0.29 | C | S | . | . | trans | -135.7 | 172.4 | -176.5 | -169.4 | 0 | 0 | 0 | 0 | 112 | H924 N968 | S866-H924 PolarHBondContact N-O 2.68Å; S866-N968 PolarHBondContact O-ND2 3.32Å | ||
| 867 | V | 83.1 | Confident | 83.6 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -61.7 | 153.7 | 164.6 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | H924 L970 | V867-H924 PolarHBondContact O-ND1 3.18Å; V867-L970 HydrophobicContact CG1-CB 4.42Å |
| 868 | P | 83.7 | Confident | 82.6 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 163.2 | -172.9 | -23.5 | 36.1 | 0 | 0 | 0 | 114 | C922 I928 A966 N968 G973 P974 | P868-C922 WeakPolarHBondContact CA-O 3.36Å; P868-I928 HydrophobicContact CB-CG1 4.32Å; P868-I928 HydrophobicContact CG-CG1 4.14Å; P868-A966 HydrophobicContact CB-CB 3.83Å; P868-A966 HydrophobicContact CG-CB 4.17Å; P868-N968 HydrophobicContact CG-CB 3.82Å; P868-G973 WeakPolarHBondContact O-CA 3.35Å; P868-P974 WeakPolarHBondContact O-CD 3.18Å |
| 869 | A | 82.8 | Confident | 81.5 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 22% | 0.223 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 168.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | P921 C922 | A869-P921 HydrophobicContact CB-CB 4.15Å; A869-P921 WeakPolarHBondContact O-CB 3.42Å; A869-C922 HydrophobicContact CB-CB 4.07Å; A869-C922 PolarHBondContact N-O 3.47Å |
| 870 | A | 84.1 | Confident | 80.2 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -63 | 135.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P974 | A870-P974 HydrophobicContact CB-CG 3.97Š|
| 871 | V | 84.4 | Confident | 79 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 134.7 | 171.8 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | I874 W918 P921 Y931 I964 A966 S976 | V871-I874 HydrophobicContact CG1-CD1 4.47Å; V871-I874 HydrophobicContact CG1-CG1 4.46Å; V871-W918 HydrophobicContact CG1-CB 3.64Å; V871-W918 VanDerWaalsContact CG1-CD1 3.48Å; V871-W918 HydrophobicContact CG1-CG 3.63Å; V871-P921 HydrophobicContact CG2-CG 3.96Å; V871-Y931 HydrophobicContact CG2-CD1 3.87Å; V871-Y931 HydrophobicContact CG2-CE1 3.97Å; V871-I964 HydrophobicContact CB-CB 4.4Å; V871-I964 HydrophobicContact CG1-CB 4.27Å; V871-I964 HydrophobicContact CG1-CG2 4.37Å; V871-I964 HydrophobicContact CG2-CG2 4.15Å; V871-A966 HydrophobicContact CG2-CB 4.08Å; V871-S976 WeakPolarHBondContact O-CB 3.02Å |
| 872 | S | 81.2 | Confident | 78 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 168.7 | -176.2 | 71.8 | 0 | 0 | 0 | 0 | 111.8 | D919 | S872-D919 PolarHBondContact O-N 2.89Å |
| 873 | N | 80.1 | Confident | 76.9 | Confident | 94 Ų | 94 | 58.3 Ų | 58.3 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.2 | 72.9 | 172 | -56.9 | -19.5 | 0 | 0 | 0 | 114.3 | Y875 W918 D919 | N873-Y875 HydrophobicContact CB-CE2 4.19Å; N873-Y875 VanDerWaalsContact O-CD2 3.3Å; N873-Y875 WeakPolarHBondContact O-CD2 3.45Å; N873-Y875 WeakPolarHBondContact O-CE2 3.48Å; N873-W918 WeakPolarHBondContact O-CA 3.42Å; N873-D919 HydrophobicContact CB-CB 4.33Å; N873-D919 WeakPolarHBondContact CB-OD2 3.18Å; N873-D919 PolarHBondContact ND2-OD2 2.98Å |
| 874 | I | 82.2 | Confident | 75.7 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121.7 | -177.9 | -46 | 179.2 | 0 | 0 | 0 | 110.4 | V871 S917 W918 I964 S976 F979 | V871-I874 HydrophobicContact CG1-CD1 4.47Å; V871-I874 HydrophobicContact CG1-CG1 4.46Å; I874-S917 CarbonylContact C-O 3.58Å; I874-S917 WeakPolarHBondContact CA-O 3.48Å; I874-S917 VanDerWaalsContact CG2-O 3.31Å; I874-S917 WeakPolarHBondContact CG2-O 3.44Å; I874-W918 HydrophobicContact CG1-CB 4.08Å; I874-W918 HydrophobicContact CG2-CB 4.45Å; I874-I964 HydrophobicContact CD1-CB 4.38Å; I874-I964 HydrophobicContact CD1-CD1 3.96Å; I874-I964 HydrophobicContact CD1-CG1 4.01Å; I874-I964 HydrophobicContact CG2-CD1 4.22Å; I874-S976 VanDerWaalsContact CD1-OG 3.32Å; I874-S976 WeakPolarHBondContact CD1-OG 3.44Å; I874-F979 HydrophobicContact CB-CD1 4.36Å; I874-F979 HydrophobicContact CB-CE1 3.98Å; I874-F979 HydrophobicContact CB-CZ 4.37Å; I874-F979 HydrophobicContact CD1-CD1 4.12Å; I874-F979 HydrophobicContact CD1-CE1 3.73Å; I874-F979 HydrophobicContact CG1-CE1 4.45Å; I874-F979 HydrophobicContact CG2-CD1 4.33Å; I874-F979 HydrophobicContact CG2-CE1 3.51Å; I874-F979 HydrophobicContact CG2-CE2 4.38Å; I874-F979 HydrophobicContact CG2-CZ 3.52Å |
| 875 | Y | 81.4 | Confident | 74.6 | Confident | 118 Ų | 118 | 68 Ų | 68 | 46% | 0.463 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 159.2 | -176.8 | -46.1 | -77.8 | 0 | 0 | 0 | 111.9 | N873 V916 S917 D919 | N873-Y875 HydrophobicContact CB-CE2 4.19Å; N873-Y875 VanDerWaalsContact O-CD2 3.3Å; N873-Y875 WeakPolarHBondContact O-CD2 3.45Å; N873-Y875 WeakPolarHBondContact O-CE2 3.48Å; Y875-V916 WeakPolarHBondContact O-CA 3.47Å; Y875-S917 PolarHBondContact N-O 3.21Å; Y875-S917 PolarHBondContact O-N 3.49Å; Y875-D919 WeakPolarHBondContact CE2-OD1 3.47Å; Y875-D919 PolarHBondContact OH-OD2 2.87Å |
| 876 | I | 79.8 | Confident | 73.4 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 48% | 0.482 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129 | 177.2 | -56 | 161.5 | 0 | 0 | 0 | 108.5 | L981 | I876-L981 HydrophobicContact CD1-CD1 3.77Å; I876-L981 HydrophobicContact CD1-CD2 4.29Å; I876-L981 HydrophobicContact CG1-CD1 4.43Å; I876-L981 HydrophobicContact CG1-CD2 4.07Å; I876-L981 HydrophobicContact CG2-CD1 4.34Å; I876-L981 HydrophobicContact CG2-CD2 3.91Å |
| 877 | L | 78.9 | Confident | 71.7 | Confident | 21 Ų | 21 | 72.1 Ų | 72.1 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | trans | -75.9 | 139.5 | 177.9 | -58.7 | 177.5 | 0 | 0 | 0 | 110.9 | E881 F885 G915 | L877-E881 HydrophobicContact CB-CB 4.38Å; L877-F885 HydrophobicContact CD1-CD2 4.08Å; L877-F885 HydrophobicContact CD1-CE2 3.72Å; L877-G915 PolarHBondContact N-O 3.41Å | ||
| 878 | K | 70 | Confident | 70 | Confident | 140 Ų | 140 | 76.2 Ų | 76.2 | 61% | 0.609 | 39% | 0.388 | S | S | * | . | trans | -77.4 | 162.7 | 178.7 | -65.1 | 168.6 | -176.2 | 163.7 | 0 | 111.4 | S880 E881 L882 | K878-S880 PolarHBondContact O-N 2.77Å; K878-E881 HydrophobicContact CB-CG 4.24Å; K878-E881 WeakPolarHBondContact CB-OE2 3.15Å; K878-E881 PolarHBondContact N-OE2 3.27Å; K878-E881 CarbonylContact O-C 3.57Å; K878-E881 WeakPolarHBondContact O-CA 3.34Å; K878-E881 WeakPolarHBondContact O-CB 3.4Å; K878-E881 PolarHBondContact O-N 2.65Å; K878-L882 PolarHBondContact O-N 2.9Å | ||
| 879 | E | 64.3 | Low | 68.2 | Low | 92 Ų | 92 | 79.9 Ų | 79.9 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.3 | -35.4 | 178.7 | -160.5 | 159 | -170 | 0 | 0 | 112.6 | E881 Q883 P910 K984 | E879-E881 VanDerWaalsContact C-N 3.29Å; E879-E881 PolarHBondContact O-N 2.91Å; E879-Q883 WeakPolarHBondContact O-CG 3.19Å; E879-Q883 PolarHBondContact O-N 2.87Å; E879-P910 WeakPolarHBondContact OE1-CG 3.15Å; E879-K984 IonicContact OE1-NZ 2.66Å; E879-K984 PolarHBondContact OE1-NZ 2.73Å; E879-K984 IonicContact OE2-NZ 2.59Å; E879-K984 PolarHBondContact OE2-NZ 2.82Å |
| 880 | S | 62.8 | Low | 66.2 | Low | 79 Ų | 79 | 85.3 Ų | 85.3 | 55% | 0.552 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -73.8 | -12.1 | 172.4 | 58.5 | 0 | 0 | 0 | 0 | 115 | K878 R884 | K878-S880 PolarHBondContact O-N 2.77Å; S880-R884 WeakPolarHBondContact O-CB 3.4Å |
| 881 | E | 63.3 | Low | 64.3 | Low | 80 Ų | 80 | 90.8 Ų | 90.8 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -100.9 | -36 | 178.3 | -63.1 | 169.9 | 145.9 | 0 | 0 | 110.1 | L877 K878 E879 Q883 R884 F885 | L877-E881 HydrophobicContact CB-CB 4.38Å; K878-E881 HydrophobicContact CB-CG 4.24Å; K878-E881 WeakPolarHBondContact CB-OE2 3.15Å; K878-E881 PolarHBondContact N-OE2 3.27Å; K878-E881 CarbonylContact O-C 3.57Å; K878-E881 WeakPolarHBondContact O-CA 3.34Å; K878-E881 WeakPolarHBondContact O-CB 3.4Å; K878-E881 PolarHBondContact O-N 2.65Å; E879-E881 VanDerWaalsContact C-N 3.29Å; E879-E881 PolarHBondContact O-N 2.91Å; E881-Q883 VanDerWaalsContact C-N 3.28Å; E881-Q883 PolarHBondContact O-N 2.96Å; E881-R884 PolarHBondContact O-N 3.4Å; E881-F885 PolarHBondContact O-N 3.08Å |
| 882 | L | 63.6 | Low | 62.1 | Low | 12 Ų | 12 | 98.3 Ų | 98.3 | 6% | 0.063 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -55.6 | -40.3 | 166.9 | -79.8 | 159.7 | 0 | 0 | 0 | 112.2 | K878 R884 I950 | K878-L882 PolarHBondContact O-N 2.9Å; L882-R884 VanDerWaalsContact C-N 3.31Å; L882-I950 HydrophobicContact CD2-CD1 3.95Å; L882-I950 HydrophobicContact CD2-CG1 4.03Å; L882-I950 HydrophobicContact CD2-CG2 4.03Å |
| 883 | Q | 59.6 | Low | 60.2 | Low | 127 Ų | 127 | 104.8 Ų | 104.8 | 59% | 0.593 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -11.4 | 174.8 | -70.3 | 178.5 | -5.9 | 0 | 0 | 114.3 | E879 E881 | E879-Q883 WeakPolarHBondContact O-CG 3.19Å; E879-Q883 PolarHBondContact O-N 2.87Å; E881-Q883 VanDerWaalsContact C-N 3.28Å; E881-Q883 PolarHBondContact O-N 2.96Å |
| 884 | R | 61.1 | Low | 58.3 | Low | 187 Ų | 187 | 109.4 Ų | 109.4 | 71% | 0.706 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -1.1 | -177.4 | -156.1 | 173.5 | -171 | 172.8 | 3.2 | 112.8 | S880 E881 L882 E886 S887 | S880-R884 WeakPolarHBondContact O-CB 3.4Å; E881-R884 PolarHBondContact O-N 3.4Å; L882-R884 VanDerWaalsContact C-N 3.31Å; R884-E886 VanDerWaalsContact C-N 3.26Å; R884-E886 PolarHBondContact O-N 3.13Å; R884-S887 PolarHBondContact O-N 3.46Å; R884-S887 PolarHBondContact O-OG 3.02Å |
| 885 | F | 57.5 | Low | 56.1 | Low | 77 Ų | 77 | 116.5 Ų | 116.5 | 34% | 0.338 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | -12.2 | -177 | -136.6 | -84.1 | 0 | 0 | 0 | 113.4 | L877 E881 K948 I950 | L877-F885 HydrophobicContact CD1-CD2 4.08Å; L877-F885 HydrophobicContact CD1-CE2 3.72Å; E881-F885 PolarHBondContact O-N 3.08Å; F885-K948 HydrophobicContact CE2-CB 3.96Å; F885-K948 HydrophobicContact CE2-CD 4.3Å; F885-K948 HydrophobicContact CZ-CB 3.66Å; F885-I950 HydrophobicContact CB-CD1 3.64Å; F885-I950 HydrophobicContact CD1-CD1 3.97Å; F885-I950 HydrophobicContact CD2-CD1 3.97Å; F885-I950 HydrophobicContact CD2-CG1 4.38Å; F885-I950 HydrophobicContact CG-CD1 3.59Å; F885-I950 HydrophobicContact CG-CG1 4.34Å |
| 886 | E | 54.7 | Low | 54 | Low | 88 Ų | 88 | 120.3 Ų | 120.3 | 41% | 0.411 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | -32.4 | 172.6 | -69 | -178.7 | 137 | 0 | 0 | 112.1 | R884 L888 A889 Y908 | R884-E886 VanDerWaalsContact C-N 3.26Å; R884-E886 PolarHBondContact O-N 3.13Å; E886-L888 PolarHBondContact O-N 3.11Å; E886-A889 PolarHBondContact O-N 3.31Å; E886-Y908 HydrophobicContact CG-CE2 4.48Å |
| 887 | S | 47.7 | Very low | 52.1 | Low | 77 Ų | 77 | 125.2 Ų | 125.2 | 54% | 0.538 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | 26.8 | -170.5 | 83 | 0 | 0 | 0 | 0 | 115.6 | R884 | R884-S887 PolarHBondContact O-N 3.46Å; R884-S887 PolarHBondContact O-OG 3.02Å |
| 888 | L | 47.3 | Very low | 50.2 | Low | 135 Ų | 135 | 132 Ų | 132 | 71% | 0.707 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.1 | 14.2 | -179.8 | -79.5 | 174 | 0 | 0 | 0 | 112.2 | E886 | E886-L888 PolarHBondContact O-N 3.11Š|
| 889 | A | 45.3 | Very low | 48.6 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 65% | 0.653 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -101.5 | -9.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | E886 | E886-A889 PolarHBondContact O-N 3.31Š|
| 890 | D | 41.3 | Very low | 47.3 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -112.7 | 19.8 | -168 | -53.3 | -36 | 0 | 0 | 0 | 113.2 | ||
| 891 | E | 42.9 | Very low | 46.2 | Very low | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -102.6 | -0.6 | -179.4 | -70.2 | -167.9 | 150.5 | 0 | 0 | 114.6 | ||
| 892 | D | 39.5 | Very low | 45.3 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 87% | 0.872 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -116.5 | -0.1 | -173.7 | -85.8 | -45.6 | 0 | 0 | 0 | 115.5 | ||
| 893 | E | 41.9 | Very low | 43.9 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -127.3 | 97.1 | 176.2 | -70 | -171.8 | 164.4 | 0 | 0 | 111.8 | ||||
| 894 | E | 38.5 | Very low | 43 | Very low | 192 Ų | 192 | 152.2 Ų | 152.2 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -83.4 | 162.8 | 161.6 | -67.9 | -171.7 | 133.8 | 0 | 0 | 110.8 | ||||
| 895 | E | 37.4 | Very low | 42.2 | Very low | 191 Ų | 191 | 151.3 Ų | 151.3 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | 73.9 | 80.1 | 176.3 | -55 | -168.7 | 168.1 | 0 | 0 | 118.2 | ||||
| 896 | E | 37.2 | Very low | 41.8 | Very low | 197 Ų | 197 | 151.3 Ų | 151.3 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | -171.5 | 128.8 | 108.3 | -101.1 | -175.8 | 174.8 | 0 | 0 | 111.4 | |||||
| 897 | E | 39 | Very low | 42 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -97.1 | 103 | 174 | -73.6 | -170.4 | 127.1 | 0 | 0 | 111.2 | ||||
| 898 | D | 39.1 | Very low | 42.8 | Very low | 163 Ų | 163 | 151.2 Ų | 151.2 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -172.3 | 170.9 | 142.8 | -110.4 | -33.4 | 0 | 0 | 0 | 112.8 | ||||
| 899 | E | 37 | Very low | 43.6 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | 59.1 | 57.9 | 174.3 | -61.3 | -156.2 | 157.1 | 0 | 0 | 118.7 | E901 | E899-E901 PolarHBondContact O-N 3.19Š| ||
| 900 | A | 37.6 | Very low | 44.7 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | trans | -77.4 | 77.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 901 | E | 37.8 | Very low | 46.1 | Very low | 181 Ų | 181 | 137.8 Ų | 137.8 | 85% | 0.846 | 70% | 0.703 | S | S | * | * | trans | -138.1 | 108.7 | 169.1 | -153.5 | 166.4 | -134.2 | 0 | 0 | 115.6 | E899 | E899-E901 PolarHBondContact O-N 3.19Š| ||
| 902 | S | 44.5 | Very low | 47.5 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | 71.1 | 61.1 | 159.2 | 72.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 903 | R | 35.9 | Very low | 49.4 | Very low | 246 Ų | 246 | 125 Ų | 125 | 93% | 0.928 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 137.4 | 149.5 | -79.2 | -172.4 | 178 | 178.6 | 3.1 | 110.9 | ||
| 904 | P | 39.3 | Very low | 51.3 | Low | 113 Ų | 113 | 116.6 Ų | 116.6 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 132.5 | 179.1 | 31.1 | -33.7 | 0 | 0 | 0 | 112.1 | V906 | P904-V906 PolarHBondContact O-N 2.59Š|
| 905 | Q | 44.6 | Very low | 53.4 | Low | 168 Ų | 168 | 107.5 Ų | 107.5 | 79% | 0.785 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 125.9 | 173.7 | -69.3 | -176.9 | -44.5 | 0 | 0 | 111.4 | V907 | Q905-V907 PolarHBondContact O-N 3.45Å; Q905-V907 VanDerWaalsContact O-N 3.16Å |
| 906 | V | 49.9 | Very low | 55.6 | Low | 77 Ų | 77 | 98.4 Ų | 98.4 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | trans | -90.9 | 78.4 | -177.9 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | P904 Y908 | P904-V906 PolarHBondContact O-N 2.59Å; V906-Y908 HydrophobicContact CG1-CD1 4.3Å; V906-Y908 HydrophobicContact CG1-CE1 3.76Å; V906-Y908 PolarHBondContact O-N 2.85Å | ||
| 907 | V | 58.8 | Low | 57.9 | Low | 112 Ų | 112 | 89.7 Ų | 89.7 | 68% | 0.679 | 48% | 0.48 | S | S | * | . | trans | -64.9 | 98.3 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | Q905 S909 | Q905-V907 PolarHBondContact O-N 3.45Å; Q905-V907 VanDerWaalsContact O-N 3.16Å; V907-S909 PolarHBondContact O-N 2.85Å | ||
| 908 | Y | 64 | Low | 60.3 | Low | 52 Ų | 52 | 80.5 Ų | 80.5 | 20% | 0.204 | 44% | 0.437 | C | S | . | . | trans | -63.2 | 102.4 | 178.3 | -64.7 | -60.5 | 0 | 0 | 0 | 111.7 | E886 V906 Q952 | E886-Y908 HydrophobicContact CG-CE2 4.48Å; V906-Y908 HydrophobicContact CG1-CD1 4.3Å; V906-Y908 HydrophobicContact CG1-CE1 3.76Å; V906-Y908 PolarHBondContact O-N 2.85Å; Y908-Q952 HydrophobicContact CE1-CG 4.39Å; Y908-Q952 VanDerWaalsContact CE1-NE2 3.32Å | ||
| 909 | S | 64.8 | Low | 62.4 | Low | 41 Ų | 41 | 75.3 Ų | 75.3 | 29% | 0.287 | 41% | 0.409 | S | S | . | . | trans | -76.1 | 132 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | V907 S911 T912 C913 | V907-S909 PolarHBondContact O-N 2.85Å; S909-S911 PolarHBondContact O-N 2.89Å; S909-S911 WeakPolarHBondContact OG-CB 3.46Å; S909-S911 PolarHBondContact OG-N 2.92Å; S909-S911 PolarHBondContact OG-OG 3.32Å; S909-T912 PolarHBondContact O-N 2.83Å; S909-C913 WeakPolarHBondContact O-CB 3.12Å; S909-C913 PolarHBondContact O-N 3.39Å | ||
| 910 | P | 67.6 | Low | 64.5 | Low | 28 Ų | 28 | 70.5 Ų | 70.5 | 18% | 0.182 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -6.3 | 171.4 | 33.5 | -41.9 | 0 | 0 | 0 | 113.1 | E879 K984 | E879-P910 WeakPolarHBondContact OE1-CG 3.15Å; P910-K984 HydrophobicContact CB-CB 4.5Å; P910-K984 HydrophobicContact CB-CD 3.91Å; P910-K984 HydrophobicContact CB-CG 4.05Å; P910-K984 HydrophobicContact CG-CB 4.45Å; P910-K984 HydrophobicContact CG-CD 3.65Å; P910-K984 HydrophobicContact CG-CG 4.21Å; P910-K984 PolarHBondContact O-N 3.37Å |
| 911 | S | 71.3 | Confident | 66.7 | Low | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -14.9 | 172.7 | -44.2 | 0 | 0 | 0 | 0 | 112.6 | S909 P956 K984 P985 | S909-S911 PolarHBondContact O-N 2.89Å; S909-S911 WeakPolarHBondContact OG-CB 3.46Å; S909-S911 PolarHBondContact OG-N 2.92Å; S909-S911 PolarHBondContact OG-OG 3.32Å; S911-P956 WeakPolarHBondContact O-CA 3.45Å; S911-K984 WeakPolarHBondContact CA-O 3.14Å; S911-K984 WeakPolarHBondContact CB-O 3.29Å; S911-P985 WeakPolarHBondContact CB-O 3.48Å; S911-P985 PolarHBondContact OG-O 3.11Å |
| 912 | T | 72.8 | Confident | 68.7 | Low | 51 Ų | 51 | 60.8 Ų | 60.8 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.6 | -4.6 | -177.3 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | S909 H953 L954 P956 | S909-T912 PolarHBondContact O-N 2.83Å; T912-H953 PolarHBondContact O-N 2.88Å; T912-L954 WeakPolarHBondContact CA-O 3.37Å; T912-L954 WeakPolarHBondContact O-CB 3.39Å; T912-L954 PolarHBondContact O-N 3.46Å; T912-P956 HydrophobicContact CG2-CG 4.4Å |
| 913 | C | 78.4 | Confident | 70.3 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 5% | 0.054 | 32% | 0.316 | C | S | . | . | trans | -132.8 | 148.2 | -178 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | S909 I950 I951 | S909-C913 WeakPolarHBondContact O-CB 3.12Å; S909-C913 PolarHBondContact O-N 3.39Å; C913-I950 HydrophobicContact CB-CG2 4.2Å; C913-I951 CarbonylContact C-O 3.55Å; C913-I951 VanDerWaalsContact CA-O 3.28Å; C913-I951 WeakPolarHBondContact CA-O 3.32Å | ||
| 914 | L | 81.6 | Confident | 72.4 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 124.7 | 173.1 | -67.6 | 176.9 | 0 | 0 | 0 | 110.3 | I951 L954 Y960 L981 T983 | L914-I951 PolarHBondContact N-O 3.47Å; L914-I951 PolarHBondContact O-N 2.86Å; L914-L954 HydrophobicContact CB-CD1 3.76Å; L914-L954 HydrophobicContact CD1-CD1 3.58Å; L914-L954 HydrophobicContact CG-CD1 3.49Å; L914-L954 VanDerWaalsContact CG-CD1 3.49Å; L914-Y960 HydrophobicContact CD1-CD2 4.17Å; L914-L981 HydrophobicContact CB-CD2 4.13Å; L914-L981 HydrophobicContact CD1-CB 4.11Å; L914-L981 HydrophobicContact CD1-CD2 3.92Å; L914-L981 HydrophobicContact CD1-CG 3.8Å; L914-L981 HydrophobicContact CD2-CD2 3.85Å; L914-L981 HydrophobicContact CD2-CG 3.81Å; L914-L981 HydrophobicContact CG-CD2 4.18Å; L914-L981 HydrophobicContact CG-CG 4.34Å; L914-T983 HydrophobicContact CD1-CG2 4.22Å; L914-T983 HydrophobicContact CD2-CG2 4.06Å; L914-T983 HydrophobicContact CG-CG2 3.96Å |
| 915 | G | 82.2 | Confident | 73.8 | Confident | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L877 | L877-G915 PolarHBondContact N-O 3.41Å |
| 916 | V | 84.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 151.3 | -177.3 | -70.3 | 0 | 0 | 0 | 0 | 111.6 | Y875 W918 K948 Y949 I951 I962 F979 | Y875-V916 WeakPolarHBondContact O-CA 3.47Å; V916-W918 HydrophobicContact CG2-CZ3 4.13Å; V916-K948 WeakPolarHBondContact O-CA 3.23Å; V916-Y949 WeakPolarHBondContact CG2-O 3.36Å; V916-Y949 PolarHBondContact N-O 3.47Å; V916-Y949 PolarHBondContact O-N 3.13Å; V916-I951 HydrophobicContact CG2-CD1 4.16Å; V916-I951 HydrophobicContact CG2-CG1 4.32Å; V916-I962 HydrophobicContact CG1-CD1 4.2Å; V916-F979 HydrophobicContact CG1-CE2 4.08Å; V916-F979 HydrophobicContact CG1-CZ 3.87Å |
| 917 | S | 85.2 | Confident | 76.9 | Confident | 14 Ų | 14 | 42 Ų | 42 | 10% | 0.098 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153.9 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | I874 Y875 T947 K948 | I874-S917 CarbonylContact C-O 3.58Å; I874-S917 WeakPolarHBondContact CA-O 3.48Å; I874-S917 VanDerWaalsContact CG2-O 3.31Å; I874-S917 WeakPolarHBondContact CG2-O 3.44Å; Y875-S917 PolarHBondContact N-O 3.21Å; Y875-S917 PolarHBondContact O-N 3.49Å; S917-T947 CarbonylContact C-O 3.54Å; S917-T947 WeakPolarHBondContact CA-O 3.28Å; S917-T947 WeakPolarHBondContact CB-O 3.47Å; S917-T947 PolarHBondContact OG-O 2.74Å; S917-K948 VanDerWaalsContact OG-CG 3.31Å; S917-K948 WeakPolarHBondContact OG-CG 3.34Å |
| 918 | W | 89 | Confident | 78.1 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 157.6 | -178.9 | 55.3 | 91.4 | 0 | 0 | 0 | 112 | V871 N873 I874 V916 Y931 I933 V943 V946 T947 I964 | V871-W918 HydrophobicContact CG1-CB 3.64Å; V871-W918 VanDerWaalsContact CG1-CD1 3.48Å; V871-W918 HydrophobicContact CG1-CG 3.63Å; N873-W918 WeakPolarHBondContact O-CA 3.42Å; I874-W918 HydrophobicContact CG1-CB 4.08Å; I874-W918 HydrophobicContact CG2-CB 4.45Å; V916-W918 HydrophobicContact CG2-CZ3 4.13Å; W918-Y931 AromaticContact CD1-CE1 3.92Å; W918-Y931 HydrophobicContact CZ2-CD1 4.27Å; W918-Y931 AromaticContact CZ2-CD2 3.82Å; W918-Y931 HydrophobicContact CZ2-CD2 3.82Å; W918-Y931 HydrophobicContact CZ2-CE2 4.35Å; W918-Y931 AromaticContact CZ2-CG 3.79Å; W918-Y931 HydrophobicContact CZ2-CG 3.79Å; W918-Y931 AromaticContact NE1-CD1 3.39Å; W918-Y931 AromaticContact NE1-CD2 3.94Å; W918-Y931 AromaticContact NE1-CE1 3.21Å; W918-Y931 AromaticContact NE1-CE2 3.8Å; W918-Y931 AromaticContact NE1-CG 3.76Å; W918-Y931 AromaticContact NE1-CZ 3.44Å; W918-I933 HydrophobicContact CH2-CD1 3.86Å; W918-I933 HydrophobicContact CH2-CG1 4.44Å; W918-I933 HydrophobicContact CZ3-CD1 4.1Å; W918-V943 HydrophobicContact CH2-CG2 4.21Å; W918-V943 HydrophobicContact CZ2-CG2 4.29Å; W918-V946 WeakPolarHBondContact CZ2-O 3.47Å; W918-T947 PolarHBondContact N-O 3.17Å; W918-T947 WeakPolarHBondContact O-CB 3.39Å; W918-I964 HydrophobicContact CD2-CD1 3.8Å; W918-I964 HydrophobicContact CE3-CD1 3.38Å; W918-I964 HydrophobicContact CG-CD1 4.41Å; W918-I964 HydrophobicContact CH2-CD1 4.44Å; W918-I964 HydrophobicContact CZ3-CD1 3.77Å |
| 919 | D | 83.6 | Confident | 79 | Confident | 55 Ų | 55 | 39 Ų | 39 | 29% | 0.294 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 138.1 | 172.6 | -66.7 | -17.6 | 0 | 0 | 0 | 109.9 | S872 N873 Y875 | S872-D919 PolarHBondContact O-N 2.89Å; N873-D919 HydrophobicContact CB-CB 4.33Å; N873-D919 WeakPolarHBondContact CB-OD2 3.18Å; N873-D919 PolarHBondContact ND2-OD2 2.98Å; Y875-D919 WeakPolarHBondContact CE2-OD1 3.47Å; Y875-D919 PolarHBondContact OH-OD2 2.87Å |
| 920 | P | 81.6 | Confident | 80 | Confident | 89 Ų | 89 | 37.7 Ų | 37.7 | 58% | 0.578 | 23% | 0.225 | S | C | * | . | P | Polyproline II helix | trans | -66.9 | 126.6 | 178.5 | 27.3 | -32.5 | 0 | 0 | 0 | 110.1 | T947 | P920-T947 HydrophobicContact CB-CG2 3.99Å; P920-T947 HydrophobicContact CG-CG2 4.29Å |
| 921 | P | 83.6 | Confident | 81 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 167.8 | 178.4 | 31.9 | -34.2 | 0 | 0 | 0 | 111.6 | A869 V871 D923 I928 Y931 A966 | A869-P921 HydrophobicContact CB-CB 4.15Å; A869-P921 WeakPolarHBondContact O-CB 3.42Å; V871-P921 HydrophobicContact CG2-CG 3.96Å; P921-D923 PolarHBondContact O-N 2.88Å; P921-I928 HydrophobicContact CG-CD1 3.74Å; P921-I928 WeakPolarHBondContact O-CD1 3.48Å; P921-Y931 HydrophobicContact CG-CE1 4.26Å; P921-A966 HydrophobicContact CG-CB 3.61Å |
| 922 | C | 79.7 | Confident | 81.8 | Confident | 72 Ų | 72 | 37.8 Ų | 37.8 | 49% | 0.486 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -62 | 131.1 | 172 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | P868 A869 H924 | P868-C922 WeakPolarHBondContact CA-O 3.36Å; A869-C922 HydrophobicContact CB-CB 4.07Å; A869-C922 PolarHBondContact N-O 3.47Å; C922-H924 VanDerWaalsContact C-N 3.29Å; C922-H924 PolarHBondContact O-N 2.74Å |
| 923 | D | 77.8 | Confident | 82.5 | Confident | 64 Ų | 64 | 35.4 Ų | 35.4 | 34% | 0.342 | 21% | 0.209 | S | C | . | . | trans | -77 | -14.7 | -177.6 | 71.9 | -14 | 0 | 0 | 0 | 113.5 | P921 G925 S926 I928 N968 | P921-D923 PolarHBondContact O-N 2.88Å; D923-G925 PolarHBondContact O-N 3.07Å; D923-G925 PolarHBondContact OD1-N 3.3Å; D923-S926 PolarHBondContact O-N 2.91Å; D923-S926 VanDerWaalsContact O-O 3.06Å; D923-I928 HydrophobicContact CB-CD1 4.5Å; D923-I928 HydrophobicContact CB-CG1 4.17Å; D923-N968 PolarHBondContact O-ND2 3.12Å; D923-N968 VanDerWaalsContact O-ND2 3.08Å | ||
| 924 | H | 79.4 | Confident | 82.8 | Confident | 41 Ų | 41 | 35.7 Ų | 35.7 | 19% | 0.19 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 37.2 | -173 | -66.4 | 145.2 | 0 | 0 | 0 | 113.6 | P836 A837 C865 S866 V867 C922 | P836-H924 HydrophobicContact CB-CB 3.82Å; P836-H924 HydrophobicContact CG-CB 4.26Å; A837-H924 WeakPolarHBondContact CB-O 3.4Å; C865-H924 VanDerWaalsContact CA-O 3.3Å; C865-H924 WeakPolarHBondContact CA-O 3.31Å; C865-H924 VanDerWaalsContact CB-O 3.31Å; C865-H924 WeakPolarHBondContact CB-O 3.41Å; S866-H924 PolarHBondContact N-O 2.68Å; V867-H924 PolarHBondContact O-ND1 3.18Å; C922-H924 VanDerWaalsContact C-N 3.29Å; C922-H924 PolarHBondContact O-N 2.74Å |
| 925 | G | 69.4 | Low | 82.8 | Confident | 38 Ų | 38 | 35.5 Ų | 35.5 | 39% | 0.392 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 18.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | C865 D923 | C865-G925 PolarHBondContact SG-O 2.87Å; D923-G925 PolarHBondContact O-N 3.07Å; D923-G925 PolarHBondContact OD1-N 3.3Å |
| 926 | S | 77.8 | Confident | 82.4 | Confident | 21 Ų | 21 | 37.9 Ų | 37.9 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -137.9 | 123.8 | 159.1 | 168.7 | 0 | 0 | 0 | 0 | 108.6 | D923 N968 S969 | D923-S926 PolarHBondContact O-N 2.91Å; D923-S926 VanDerWaalsContact O-O 3.06Å; S926-N968 WeakPolarHBondContact O-CB 3.44Å; S926-N968 PolarHBondContact O-ND2 3.28Å; S926-S969 PolarHBondContact OG-OG 2.87Å |
| 927 | E | 80.7 | Confident | 81.5 | Confident | 160 Ų | 160 | 47 Ų | 47 | 75% | 0.748 | 28% | 0.276 | S | S | * | . | trans | -46.7 | 137.6 | -178 | -62.6 | 176.6 | 169.8 | 0 | 0 | 113.1 | T929 N968 | E927-T929 PolarHBondContact O-N 2.84Å; E927-N968 WeakPolarHBondContact O-CB 3.33Å | ||
| 928 | I | 84.1 | Confident | 80.7 | Confident | 27 Ų | 27 | 51.4 Ų | 51.4 | 14% | 0.138 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 115.6 | 177.6 | -63 | 169.9 | 0 | 0 | 0 | 108.3 | P868 P921 D923 Y931 P945 A966 Q967 | P868-I928 HydrophobicContact CB-CG1 4.32Å; P868-I928 HydrophobicContact CG-CG1 4.14Å; P921-I928 HydrophobicContact CG-CD1 3.74Å; P921-I928 WeakPolarHBondContact O-CD1 3.48Å; D923-I928 HydrophobicContact CB-CD1 4.5Å; D923-I928 HydrophobicContact CB-CG1 4.17Å; I928-Y931 HydrophobicContact CG2-CD2 4.46Å; I928-Y931 HydrophobicContact CG2-CE1 4.14Å; I928-Y931 HydrophobicContact CG2-CE2 3.95Å; I928-P945 WeakPolarHBondContact O-CB 3.49Å; I928-A966 HydrophobicContact CD1-CB 4.22Å; I928-A966 HydrophobicContact CG1-CB 4.49Å; I928-A966 HydrophobicContact CG2-CB 4.05Å; I928-Q967 CarbonylContact C-O 3.4Å; I928-Q967 WeakPolarHBondContact CA-O 3.35Å; I928-Q967 WeakPolarHBondContact CG2-O 3.43Å |
| 929 | T | 84.1 | Confident | 80 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -27.8 | -176.7 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | E927 Q967 | E927-T929 PolarHBondContact O-N 2.84Å; T929-Q967 PolarHBondContact N-O 3.22Å; T929-Q967 PolarHBondContact OG1-O 2.84Å |
| 930 | S | 85.5 | Confident | 79.7 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 9% | 0.091 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 166.7 | -179.2 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | V943 Q967 | S930-V943 CarbonylContact C-O 3.57Å; S930-V943 WeakPolarHBondContact CA-O 3.29Å; S930-V943 WeakPolarHBondContact CB-O 3.36Å; S930-Q967 PolarHBondContact N-O 3.11Å; S930-Q967 PolarHBondContact O-N 3.24Å; S930-Q967 WeakPolarHBondContact OG-CB 3.34Å; S930-Q967 PolarHBondContact OG-OE1 2.99Å |
| 931 | Y | 88.5 | Confident | 79.7 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.6 | 165.5 | -58.5 | -96.1 | 0 | 0 | 0 | 109.8 | V871 W918 P921 I928 V942 V943 V946 I964 Q965 A966 | V871-Y931 HydrophobicContact CG2-CD1 3.87Å; V871-Y931 HydrophobicContact CG2-CE1 3.97Å; W918-Y931 AromaticContact CD1-CE1 3.92Å; W918-Y931 HydrophobicContact CZ2-CD1 4.27Å; W918-Y931 AromaticContact CZ2-CD2 3.82Å; W918-Y931 HydrophobicContact CZ2-CD2 3.82Å; W918-Y931 HydrophobicContact CZ2-CE2 4.35Å; W918-Y931 AromaticContact CZ2-CG 3.79Å; W918-Y931 HydrophobicContact CZ2-CG 3.79Å; W918-Y931 AromaticContact NE1-CD1 3.39Å; W918-Y931 AromaticContact NE1-CD2 3.94Å; W918-Y931 AromaticContact NE1-CE1 3.21Å; W918-Y931 AromaticContact NE1-CE2 3.8Å; W918-Y931 AromaticContact NE1-CG 3.76Å; W918-Y931 AromaticContact NE1-CZ 3.44Å; P921-Y931 HydrophobicContact CG-CE1 4.26Å; I928-Y931 HydrophobicContact CG2-CD2 4.46Å; I928-Y931 HydrophobicContact CG2-CE1 4.14Å; I928-Y931 HydrophobicContact CG2-CE2 3.95Å; Y931-V942 WeakPolarHBondContact O-CA 3.41Å; Y931-V943 HydrophobicContact CD2-CG2 4.5Å; Y931-V943 PolarHBondContact N-O 2.75Å; Y931-V943 PolarHBondContact O-N 2.92Å; Y931-V946 WeakPolarHBondContact CD2-O 3.29Å; Y931-V946 VanDerWaalsContact CE2-O 3.25Å; Y931-V946 WeakPolarHBondContact CE2-O 3.32Å; Y931-I964 HydrophobicContact CD1-CG2 4.3Å; Y931-Q965 CarbonylContact C-O 3.6Å; Y931-Q965 VanDerWaalsContact CA-O 3.3Å; Y931-Q965 WeakPolarHBondContact CA-O 3.24Å; Y931-A966 HydrophobicContact CD1-CB 3.69Å; Y931-A966 HydrophobicContact CE1-CB 3.66Å |
| 932 | L | 87.9 | Confident | 79.6 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 116.3 | 170.5 | -63.6 | 95.6 | 0 | 0 | 0 | 109.8 | P940 V941 V942 I964 Q965 Q967 T972 | L932-P940 HydrophobicContact CB-CB 4.47Å; L932-P940 HydrophobicContact CD2-CB 4.48Å; L932-V941 WeakPolarHBondContact CA-O 3.14Å; L932-V942 HydrophobicContact CD2-CG2 4.02Å; L932-V942 HydrophobicContact CG-CG2 4.15Å; L932-I964 WeakPolarHBondContact O-CA 3.46Å; L932-Q965 HydrophobicContact CB-CG 3.96Å; L932-Q965 HydrophobicContact CD1-CG 4.17Å; L932-Q965 PolarHBondContact N-O 3.34Å; L932-Q965 PolarHBondContact O-N 2.98Å; L932-Q967 HydrophobicContact CD1-CB 4.2Å; L932-T972 HydrophobicContact CD1-CG2 3.78Å |
| 933 | I | 86.9 | Confident | 79.8 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 108.7 | 175.9 | -53.9 | 175.8 | 0 | 0 | 0 | 108.2 | W918 P940 V941 V943 Y949 I951 I962 I964 | W918-I933 HydrophobicContact CH2-CD1 3.86Å; W918-I933 HydrophobicContact CH2-CG1 4.44Å; W918-I933 HydrophobicContact CZ3-CD1 4.1Å; I933-P940 CarbonylContact O-C 3.6Å; I933-P940 WeakPolarHBondContact O-CA 3.46Å; I933-V941 PolarHBondContact N-O 2.78Å; I933-V941 PolarHBondContact O-N 2.86Å; I933-V943 HydrophobicContact CD1-CG1 3.93Å; I933-V943 HydrophobicContact CD1-CG2 4.18Å; I933-V943 HydrophobicContact CG1-CG2 4.42Å; I933-Y949 HydrophobicContact CD1-CD1 3.7Å; I933-Y949 HydrophobicContact CD1-CE1 4.49Å; I933-Y949 HydrophobicContact CD1-CG 4.06Å; I933-I951 HydrophobicContact CG2-CD1 4.03Å; I933-I962 HydrophobicContact CG2-CG2 3.83Å; I933-I964 HydrophobicContact CG1-CD1 4.33Å; I933-I964 HydrophobicContact CG1-CG1 4.26Å; I933-I964 HydrophobicContact CG1-CG2 4.24Å; I933-I964 HydrophobicContact CG2-CG1 4.38Å |
| 934 | D | 85.8 | Confident | 79.9 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132.1 | 175.3 | 177.2 | 24.4 | 0 | 0 | 0 | 111.2 | G936 P940 I962 R963 F975 | D934-G936 PolarHBondContact OD1-N 3.5Å; D934-P940 HydrophobicContact CB-CB 4.28Å; D934-P940 HydrophobicContact CB-CG 4.17Å; D934-I962 WeakPolarHBondContact O-CA 3.36Å; D934-R963 HydrophobicContact CB-CG 3.89Å; D934-R963 PolarHBondContact N-O 2.85Å; D934-R963 PolarHBondContact O-N 3.07Å; D934-R963 VanDerWaalsContact O-N 3.07Å; D934-R963 IonicContact OD2-CZ 2.67Å; D934-R963 IonicContact OD2-NE 2.87Å; D934-R963 PolarHBondContact OD2-NE 2.75Å; D934-R963 IonicContact OD2-NH2 3.35Å; D934-R963 PolarHBondContact OD2-NH2 3.01Å; D934-F975 HydrophobicContact CB-CE1 3.85Å; D934-F975 HydrophobicContact CB-CZ 4.24Å |
| 935 | L | 81 | Confident | 80 | Confident | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | trans | -103.6 | 3.8 | -179.2 | -79.5 | 155.5 | 0 | 0 | 0 | 113.1 | E937 R938 V941 I951 Y960 R961 I962 | L935-E937 VanDerWaalsContact C-N 3.28Å; L935-E937 PolarHBondContact O-N 2.57Å; L935-R938 HydrophobicContact CB-CB 4.24Å; L935-V941 HydrophobicContact CD1-CG2 4.43Å; L935-I951 HydrophobicContact CD1-CG2 3.84Å; L935-I951 HydrophobicContact CD2-CD1 4.16Å; L935-I951 HydrophobicContact CD2-CG2 4.35Å; L935-Y960 HydrophobicContact CD2-CD1 4.26Å; L935-Y960 HydrophobicContact CD2-CG 4.42Å; L935-R961 CarbonylContact C-O 3.5Å; L935-R961 VanDerWaalsContact CA-O 3.25Å; L935-R961 WeakPolarHBondContact CA-O 3.3Å; L935-I962 HydrophobicContact CD2-CD1 4.44Å; L935-I962 HydrophobicContact CD2-CG1 3.91Å | ||
| 936 | G | 74.7 | Confident | 80.6 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 55% | 0.546 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 82.8 | -50.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | D934 | D934-G936 PolarHBondContact OD1-N 3.5Š|
| 937 | E | 65.2 | Low | 80.8 | Confident | 191 Ų | 191 | 62.5 Ų | 62.5 | 89% | 0.893 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -113.7 | 8.6 | -179.1 | -67.3 | 179.2 | -161.8 | 0 | 0 | 113.1 | L935 | L935-E937 VanDerWaalsContact C-N 3.28Å; L935-E937 PolarHBondContact O-N 2.57Å |
| 938 | R | 69.3 | Low | 80.9 | Confident | 107 Ų | 107 | 60 Ų | 60 | 40% | 0.404 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -124.7 | 161.7 | 171 | -70.5 | -175.3 | 172.8 | -176.1 | -0.8 | 109.3 | L935 H953 | L935-R938 HydrophobicContact CB-CB 4.24Å; R938-H953 PolarHBondContact NH1-O 2.76Å; R938-H953 PolarHBondContact NH2-O 2.97Å |
| 939 | Q | 73.1 | Confident | 80.9 | Confident | 173 Ų | 173 | 62.6 Ų | 62.6 | 81% | 0.808 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 143.3 | 170.7 | -69.5 | -176 | -7.1 | 0 | 0 | 110.4 | V941 | Q939-V941 PolarHBondContact O-N 2.77Š|
| 940 | P | 77.1 | Confident | 80.9 | Confident | 62 Ų | 62 | 59.6 Ų | 59.6 | 40% | 0.403 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 134 | 177.2 | -23.5 | 34.2 | 0 | 0 | 0 | 111.9 | L932 I933 D934 | L932-P940 HydrophobicContact CB-CB 4.47Å; L932-P940 HydrophobicContact CD2-CB 4.48Å; I933-P940 CarbonylContact O-C 3.6Å; I933-P940 WeakPolarHBondContact O-CA 3.46Å; D934-P940 HydrophobicContact CB-CB 4.28Å; D934-P940 HydrophobicContact CB-CG 4.17Å |
| 941 | V | 81.8 | Confident | 80.8 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 119.1 | 175.1 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | L932 I933 L935 Q939 V943 Y949 | L932-V941 WeakPolarHBondContact CA-O 3.14Å; I933-V941 PolarHBondContact N-O 2.78Å; I933-V941 PolarHBondContact O-N 2.86Å; L935-V941 HydrophobicContact CD1-CG2 4.43Å; Q939-V941 PolarHBondContact O-N 2.77Å; V941-V943 HydrophobicContact CG1-CG1 3.99Å; V941-Y949 HydrophobicContact CG1-CE1 4.14Å |
| 942 | V | 83 | Confident | 80.3 | Confident | 90 Ų | 90 | 62.4 Ų | 62.4 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.8 | 168.9 | -171.3 | 0 | 0 | 0 | 0 | 108 | Y931 L932 | Y931-V942 WeakPolarHBondContact O-CA 3.41Å; L932-V942 HydrophobicContact CD2-CG2 4.02Å; L932-V942 HydrophobicContact CG-CG2 4.15Å |
| 943 | V | 83.8 | Confident | 79.8 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 6% | 0.055 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 155.8 | 173.7 | -55.8 | 0 | 0 | 0 | 0 | 109.5 | W918 S930 Y931 I933 V941 V946 Y949 | W918-V943 HydrophobicContact CH2-CG2 4.21Å; W918-V943 HydrophobicContact CZ2-CG2 4.29Å; S930-V943 CarbonylContact C-O 3.57Å; S930-V943 WeakPolarHBondContact CA-O 3.29Å; S930-V943 WeakPolarHBondContact CB-O 3.36Å; Y931-V943 HydrophobicContact CD2-CG2 4.5Å; Y931-V943 PolarHBondContact N-O 2.75Å; Y931-V943 PolarHBondContact O-N 2.92Å; I933-V943 HydrophobicContact CD1-CG1 3.93Å; I933-V943 HydrophobicContact CD1-CG2 4.18Å; I933-V943 HydrophobicContact CG1-CG2 4.42Å; V941-V943 HydrophobicContact CG1-CG1 3.99Å; V943-V946 HydrophobicContact CB-CG2 4.5Å; V943-V946 HydrophobicContact CG2-CG2 4.43Å; V943-Y949 HydrophobicContact CB-CD2 4.26Å; V943-Y949 HydrophobicContact CB-CE2 4.44Å; V943-Y949 HydrophobicContact CG1-CD1 3.95Å; V943-Y949 HydrophobicContact CG1-CD2 3.59Å; V943-Y949 HydrophobicContact CG1-CE1 3.92Å; V943-Y949 HydrophobicContact CG1-CE2 3.56Å; V943-Y949 HydrophobicContact CG1-CG 3.79Å |
| 944 | G | 78.7 | Confident | 79.4 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 38% | 0.381 | 37% | 0.368 | S | S | . | . | trans | -65.6 | -168.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V946 | G944-V946 PolarHBondContact O-N 3.46Š| ||
| 945 | P | 81.6 | Confident | 79 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 60% | 0.597 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -73 | 30.9 | -175.7 | 32.4 | -37.7 | 0 | 0 | 0 | 114.5 | I928 | I928-P945 WeakPolarHBondContact O-CB 3.49Š|
| 946 | V | 82.3 | Confident | 78.6 | Confident | 71 Ų | 71 | 74.9 Ų | 74.9 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | trans | -90.3 | 149.3 | -179.3 | -63.8 | 0 | 0 | 0 | 0 | 112.1 | W918 Y931 V943 G944 K948 | W918-V946 WeakPolarHBondContact CZ2-O 3.47Å; Y931-V946 WeakPolarHBondContact CD2-O 3.29Å; Y931-V946 VanDerWaalsContact CE2-O 3.25Å; Y931-V946 WeakPolarHBondContact CE2-O 3.32Å; V943-V946 HydrophobicContact CB-CG2 4.5Å; V943-V946 HydrophobicContact CG2-CG2 4.43Å; G944-V946 PolarHBondContact O-N 3.46Å; V946-K948 WeakPolarHBondContact CG2-O 3.42Å | ||
| 947 | T | 82.1 | Confident | 78.7 | Confident | 50 Ų | 50 | 76.4 Ų | 76.4 | 31% | 0.307 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -101.8 | 11.4 | 178.4 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | S917 W918 P920 | S917-T947 CarbonylContact C-O 3.54Å; S917-T947 WeakPolarHBondContact CA-O 3.28Å; S917-T947 WeakPolarHBondContact CB-O 3.47Å; S917-T947 PolarHBondContact OG-O 2.74Å; W918-T947 PolarHBondContact N-O 3.17Å; W918-T947 WeakPolarHBondContact O-CB 3.39Å; P920-T947 HydrophobicContact CB-CG2 3.99Å; P920-T947 HydrophobicContact CG-CG2 4.29Å |
| 948 | K | 83 | Confident | 79.3 | Confident | 109 Ų | 109 | 69.8 Ų | 69.8 | 47% | 0.474 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 138.7 | -178.5 | -65.7 | 178.1 | -179.1 | 176.5 | 0 | 109.4 | F885 V916 S917 V946 | F885-K948 HydrophobicContact CE2-CB 3.96Å; F885-K948 HydrophobicContact CE2-CD 4.3Å; F885-K948 HydrophobicContact CZ-CB 3.66Å; V916-K948 WeakPolarHBondContact O-CA 3.23Å; S917-K948 VanDerWaalsContact OG-CG 3.31Å; S917-K948 WeakPolarHBondContact OG-CG 3.34Å; V946-K948 WeakPolarHBondContact CG2-O 3.42Å |
| 949 | Y | 83.9 | Confident | 79.8 | Confident | 80 Ų | 80 | 68.7 Ų | 68.7 | 31% | 0.314 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 147.9 | 177.8 | -168.8 | -108.4 | 0 | 0 | 0 | 112.6 | V916 I933 V941 V943 I951 | V916-Y949 WeakPolarHBondContact CG2-O 3.36Å; V916-Y949 PolarHBondContact N-O 3.47Å; V916-Y949 PolarHBondContact O-N 3.13Å; I933-Y949 HydrophobicContact CD1-CD1 3.7Å; I933-Y949 HydrophobicContact CD1-CE1 4.49Å; I933-Y949 HydrophobicContact CD1-CG 4.06Å; V941-Y949 HydrophobicContact CG1-CE1 4.14Å; V943-Y949 HydrophobicContact CB-CD2 4.26Å; V943-Y949 HydrophobicContact CB-CE2 4.44Å; V943-Y949 HydrophobicContact CG1-CD1 3.95Å; V943-Y949 HydrophobicContact CG1-CD2 3.59Å; V943-Y949 HydrophobicContact CG1-CE1 3.92Å; V943-Y949 HydrophobicContact CG1-CE2 3.56Å; V943-Y949 HydrophobicContact CG1-CG 3.79Å; Y949-I951 HydrophobicContact CD1-CG1 3.97Å; Y949-I951 HydrophobicContact CE1-CG1 4.3Å |
| 950 | I | 83.1 | Confident | 80.2 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 115.2 | 174.7 | -60.6 | 175.9 | 0 | 0 | 0 | 109 | L882 F885 C913 Q952 | L882-I950 HydrophobicContact CD2-CD1 3.95Å; L882-I950 HydrophobicContact CD2-CG1 4.03Å; L882-I950 HydrophobicContact CD2-CG2 4.03Å; F885-I950 HydrophobicContact CB-CD1 3.64Å; F885-I950 HydrophobicContact CD1-CD1 3.97Å; F885-I950 HydrophobicContact CD2-CD1 3.97Å; F885-I950 HydrophobicContact CD2-CG1 4.38Å; F885-I950 HydrophobicContact CG-CD1 3.59Å; F885-I950 HydrophobicContact CG-CG1 4.34Å; C913-I950 HydrophobicContact CB-CG2 4.2Å; I950-Q952 HydrophobicContact CG2-CG 4.12Å |
| 951 | I | 83.4 | Confident | 80.5 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 115.4 | 177.3 | -51.8 | 177.9 | 0 | 0 | 0 | 108.4 | C913 L914 V916 I933 L935 Y949 L954 I962 | C913-I951 CarbonylContact C-O 3.55Å; C913-I951 VanDerWaalsContact CA-O 3.28Å; C913-I951 WeakPolarHBondContact CA-O 3.32Å; L914-I951 PolarHBondContact N-O 3.47Å; L914-I951 PolarHBondContact O-N 2.86Å; V916-I951 HydrophobicContact CG2-CD1 4.16Å; V916-I951 HydrophobicContact CG2-CG1 4.32Å; I933-I951 HydrophobicContact CG2-CD1 4.03Å; L935-I951 HydrophobicContact CD1-CG2 3.84Å; L935-I951 HydrophobicContact CD2-CD1 4.16Å; L935-I951 HydrophobicContact CD2-CG2 4.35Å; Y949-I951 HydrophobicContact CD1-CG1 3.97Å; Y949-I951 HydrophobicContact CE1-CG1 4.3Å; I951-L954 HydrophobicContact CB-CD1 4.31Å; I951-L954 HydrophobicContact CG2-CD1 4.04Å; I951-L954 HydrophobicContact CG2-CD2 3.92Å; I951-L954 HydrophobicContact CG2-CG 4.19Å; I951-I962 HydrophobicContact CD1-CD1 3.95Å |
| 952 | Q | 79.1 | Confident | 80.7 | Confident | 72 Ų | 72 | 64 Ų | 64 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | trans | -103.7 | 175.2 | -174.8 | -54.1 | -173.9 | 22.8 | 0 | 0 | 112.6 | Y908 I950 L954 | Y908-Q952 HydrophobicContact CE1-CG 4.39Å; Y908-Q952 VanDerWaalsContact CE1-NE2 3.32Å; I950-Q952 HydrophobicContact CG2-CG 4.12Å; Q952-L954 VanDerWaalsContact C-N 3.29Å; Q952-L954 PolarHBondContact O-N 3.19Å | ||
| 953 | H | 76.7 | Confident | 80.9 | Confident | 154 Ų | 154 | 63.8 Ų | 63.8 | 71% | 0.713 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 53 | 42.9 | 178.4 | -49 | -62.8 | 0 | 0 | 0 | 113.8 | T912 R938 | T912-H953 PolarHBondContact O-N 2.88Å; R938-H953 PolarHBondContact NH1-O 2.76Å; R938-H953 PolarHBondContact NH2-O 2.97Å |
| 954 | L | 79.8 | Confident | 81.2 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 155.2 | 171.5 | -57.5 | 174.9 | 0 | 0 | 0 | 110 | T912 L914 I951 Q952 Y960 T983 | T912-L954 WeakPolarHBondContact CA-O 3.37Å; T912-L954 WeakPolarHBondContact O-CB 3.39Å; T912-L954 PolarHBondContact O-N 3.46Å; L914-L954 HydrophobicContact CB-CD1 3.76Å; L914-L954 HydrophobicContact CD1-CD1 3.58Å; L914-L954 HydrophobicContact CG-CD1 3.49Å; L914-L954 VanDerWaalsContact CG-CD1 3.49Å; I951-L954 HydrophobicContact CB-CD1 4.31Å; I951-L954 HydrophobicContact CG2-CD1 4.04Å; I951-L954 HydrophobicContact CG2-CD2 3.92Å; I951-L954 HydrophobicContact CG2-CG 4.19Å; Q952-L954 VanDerWaalsContact C-N 3.29Å; Q952-L954 PolarHBondContact O-N 3.19Å; L954-Y960 HydrophobicContact CB-CE2 3.8Å; L954-Y960 HydrophobicContact CD1-CD2 4.37Å; L954-Y960 HydrophobicContact CD1-CE2 4.33Å; L954-Y960 HydrophobicContact CD2-CD1 4.25Å; L954-Y960 HydrophobicContact CD2-CD2 4.23Å; L954-Y960 HydrophobicContact CD2-CE1 3.89Å; L954-Y960 HydrophobicContact CD2-CE2 3.86Å; L954-Y960 HydrophobicContact CD2-CG 4.41Å; L954-Y960 HydrophobicContact CG-CE2 4.22Å; L954-T983 HydrophobicContact CB-CG2 3.99Å; L954-T983 HydrophobicContact CD1-CG2 4.3Å |
| 955 | Q | 75.9 | Confident | 81.7 | Confident | 119 Ų | 119 | 62.7 Ų | 62.7 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -80.5 | 143.9 | 177.5 | -70.2 | -66.1 | -12.5 | 0 | 0 | 110.4 | T958 Y960 T983 | Q955-T958 HydrophobicContact CB-CG2 4.39Å; Q955-T958 WeakPolarHBondContact CB-OG1 3.31Å; Q955-T958 WeakPolarHBondContact O-CB 3.38Å; Q955-Y960 PolarHBondContact N-OH 3.26Å; Q955-T983 PolarHBondContact O-OG1 2.72Å |
| 956 | P | 73.6 | Confident | 81.9 | Confident | 35 Ų | 35 | 58.3 Ų | 58.3 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 152.7 | 170.3 | -25.2 | 35.4 | 0 | 0 | 0 | 113.3 | S911 T912 T958 L986 | S911-P956 WeakPolarHBondContact O-CA 3.45Å; T912-P956 HydrophobicContact CG2-CG 4.4Å; P956-T958 PolarHBondContact O-N 2.87Å; P956-T958 PolarHBondContact O-OG1 3.08Å; P956-L986 HydrophobicContact CB-CG 4.39Å; P956-L986 HydrophobicContact CG-CD1 4.27Å; P956-L986 HydrophobicContact CG-CG 4.22Å |
| 957 | D | 76.6 | Confident | 82.2 | Confident | 85 Ų | 85 | 57.8 Ų | 57.8 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 24.4 | 179.9 | -150.5 | 59.3 | 0 | 0 | 0 | 115.8 | K982 T983 K984 | D957-K982 VanDerWaalsContact C-CE 3.45Å; D957-K982 VanDerWaalsContact CG-CE 3.45Å; D957-K982 WeakPolarHBondContact O-CE 3.44Å; D957-K982 VanDerWaalsContact OD1-CE 3.3Å; D957-K982 WeakPolarHBondContact OD1-CE 3.44Å; D957-K982 IonicContact OD1-NZ 2.68Å; D957-K982 PolarHBondContact OD1-NZ 2.61Å; D957-K982 WeakPolarHBondContact OD2-CE 3.28Å; D957-K982 IonicContact OD2-NZ 2.67Å; D957-K982 PolarHBondContact OD2-NZ 2.64Å; D957-T983 WeakPolarHBondContact CA-O 3.48Å; D957-T983 PolarHBondContact N-OG1 2.6Å; D957-K984 PolarHBondContact N-O 2.79Å |
| 958 | T | 77.6 | Confident | 82.3 | Confident | 51 Ų | 51 | 55.5 Ų | 55.5 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | trans | -109.6 | 139.2 | -170.2 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | Q955 P956 Y960 K982 T983 | Q955-T958 HydrophobicContact CB-CG2 4.39Å; Q955-T958 WeakPolarHBondContact CB-OG1 3.31Å; Q955-T958 WeakPolarHBondContact O-CB 3.38Å; P956-T958 PolarHBondContact O-N 2.87Å; P956-T958 PolarHBondContact O-OG1 3.08Å; T958-Y960 HydrophobicContact CG2-CD2 4.46Å; T958-Y960 HydrophobicContact CG2-CE1 4.35Å; T958-Y960 HydrophobicContact CG2-CE2 3.73Å; T958-K982 WeakPolarHBondContact O-CA 3.36Å; T958-T983 PolarHBondContact N-OG1 2.7Å; T958-T983 PolarHBondContact O-N 3.26Å; T958-T983 VanDerWaalsContact O-N 3.11Å; T958-T983 PolarHBondContact O-OG1 3.03Å | ||
| 959 | S | 80.2 | Confident | 82.2 | Confident | 84 Ų | 84 | 54.7 Ų | 54.7 | 59% | 0.587 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.5 | -178.6 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | L981 K982 | S959-L981 CarbonylContact C-O 3.52Å; S959-L981 WeakPolarHBondContact CA-O 3.48Å; S959-K982 WeakPolarHBondContact OG-CG 3.29Å |
| 960 | Y | 81.4 | Confident | 82 | Confident | 27 Ų | 27 | 55.4 Ų | 55.4 | 11% | 0.106 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 155.9 | 179 | -65.2 | -83.2 | 0 | 0 | 0 | 111.8 | L914 L935 L954 Q955 T958 K980 L981 T983 | L914-Y960 HydrophobicContact CD1-CD2 4.17Å; L935-Y960 HydrophobicContact CD2-CD1 4.26Å; L935-Y960 HydrophobicContact CD2-CG 4.42Å; L954-Y960 HydrophobicContact CB-CE2 3.8Å; L954-Y960 HydrophobicContact CD1-CD2 4.37Å; L954-Y960 HydrophobicContact CD1-CE2 4.33Å; L954-Y960 HydrophobicContact CD2-CD1 4.25Å; L954-Y960 HydrophobicContact CD2-CD2 4.23Å; L954-Y960 HydrophobicContact CD2-CE1 3.89Å; L954-Y960 HydrophobicContact CD2-CE2 3.86Å; L954-Y960 HydrophobicContact CD2-CG 4.41Å; L954-Y960 HydrophobicContact CG-CE2 4.22Å; Q955-Y960 PolarHBondContact N-OH 3.26Å; T958-Y960 HydrophobicContact CG2-CD2 4.46Å; T958-Y960 HydrophobicContact CG2-CE1 4.35Å; T958-Y960 HydrophobicContact CG2-CE2 3.73Å; Y960-K980 WeakPolarHBondContact O-CA 3.26Å; Y960-L981 PolarHBondContact N-O 3.2Å; Y960-L981 PolarHBondContact O-N 2.88Å; Y960-L981 VanDerWaalsContact O-N 3.09Å; Y960-T983 HydrophobicContact CE2-CG2 4.48Å |
| 961 | R | 83.6 | Confident | 81.9 | Confident | 154 Ų | 154 | 55.9 Ų | 55.9 | 58% | 0.581 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.2 | 171.4 | -60.1 | -177.6 | -167.3 | -172.3 | 7.3 | 107.9 | L935 T978 F979 K980 | L935-R961 CarbonylContact C-O 3.5Å; L935-R961 VanDerWaalsContact CA-O 3.25Å; L935-R961 WeakPolarHBondContact CA-O 3.3Å; R961-T978 HydrophobicContact CB-CG2 3.94Å; R961-F979 WeakPolarHBondContact CA-O 3.44Å; R961-K980 HydrophobicContact CG-CG 4.28Å |
| 962 | I | 85.1 | Confident | 82 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.7 | -174.1 | -55.5 | 170.4 | 0 | 0 | 0 | 109.6 | V916 I933 D934 L935 I951 I964 T978 F979 | V916-I962 HydrophobicContact CG1-CD1 4.2Å; I933-I962 HydrophobicContact CG2-CG2 3.83Å; D934-I962 WeakPolarHBondContact O-CA 3.36Å; L935-I962 HydrophobicContact CD2-CD1 4.44Å; L935-I962 HydrophobicContact CD2-CG1 3.91Å; I951-I962 HydrophobicContact CD1-CD1 3.95Å; I962-I964 HydrophobicContact CG2-CG1 4.4Å; I962-T978 WeakPolarHBondContact O-CA 3.45Å; I962-F979 HydrophobicContact CB-CD1 4.08Å; I962-F979 HydrophobicContact CB-CE1 3.52Å; I962-F979 HydrophobicContact CB-CE2 4.02Å; I962-F979 HydrophobicContact CB-CZ 3.5Å; I962-F979 HydrophobicContact CD1-CE2 3.91Å; I962-F979 HydrophobicContact CD1-CZ 3.92Å; I962-F979 HydrophobicContact CG1-CE2 4.47Å; I962-F979 HydrophobicContact CG1-CZ 4.29Å; I962-F979 HydrophobicContact CG2-CD1 4.45Å; I962-F979 HydrophobicContact CG2-CE1 3.49Å; I962-F979 VanDerWaalsContact CG2-CE1 3.49Å; I962-F979 HydrophobicContact CG2-CE2 4.44Å; I962-F979 HydrophobicContact CG2-CZ 3.49Å; I962-F979 VanDerWaalsContact CG2-CZ 3.49Å; I962-F979 PolarHBondContact N-O 2.84Å; I962-F979 WeakPolarHBondContact O-CD1 3.3Å; I962-F979 PolarHBondContact O-N 2.95Å |
| 963 | R | 87.9 | Confident | 82.2 | Confident | 87 Ų | 87 | 55.5 Ų | 55.5 | 33% | 0.328 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.2 | 168.1 | 61.1 | 178.4 | 177.4 | 155.1 | 2.4 | 109.8 | D934 F975 | D934-R963 HydrophobicContact CB-CG 3.89Å; D934-R963 PolarHBondContact N-O 2.85Å; D934-R963 PolarHBondContact O-N 3.07Å; D934-R963 VanDerWaalsContact O-N 3.07Å; D934-R963 IonicContact OD2-CZ 2.67Å; D934-R963 IonicContact OD2-NE 2.87Å; D934-R963 PolarHBondContact OD2-NE 2.75Å; D934-R963 IonicContact OD2-NH2 3.35Å; D934-R963 PolarHBondContact OD2-NH2 3.01Å; R963-F975 HydrophobicContact CB-CD1 4.18Å; R963-F975 HydrophobicContact CG-CD1 3.61Å; R963-F975 HydrophobicContact CG-CE1 3.97Å; R963-F975 HydrophobicContact CG-CG 4.23Å; R963-F975 VanDerWaalsContact NH1-CD2 3.33Å |
| 964 | I | 89 | Confident | 82.7 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 138.3 | -171.7 | -48.5 | -177.4 | 0 | 0 | 0 | 109.7 | V871 I874 W918 Y931 L932 I933 I962 S976 | V871-I964 HydrophobicContact CB-CB 4.4Å; V871-I964 HydrophobicContact CG1-CB 4.27Å; V871-I964 HydrophobicContact CG1-CG2 4.37Å; V871-I964 HydrophobicContact CG2-CG2 4.15Å; I874-I964 HydrophobicContact CD1-CB 4.38Å; I874-I964 HydrophobicContact CD1-CD1 3.96Å; I874-I964 HydrophobicContact CD1-CG1 4.01Å; I874-I964 HydrophobicContact CG2-CD1 4.22Å; W918-I964 HydrophobicContact CD2-CD1 3.8Å; W918-I964 HydrophobicContact CE3-CD1 3.38Å; W918-I964 HydrophobicContact CG-CD1 4.41Å; W918-I964 HydrophobicContact CH2-CD1 4.44Å; W918-I964 HydrophobicContact CZ3-CD1 3.77Å; Y931-I964 HydrophobicContact CD1-CG2 4.3Å; L932-I964 WeakPolarHBondContact O-CA 3.46Å; I933-I964 HydrophobicContact CG1-CD1 4.33Å; I933-I964 HydrophobicContact CG1-CG1 4.26Å; I933-I964 HydrophobicContact CG1-CG2 4.24Å; I933-I964 HydrophobicContact CG2-CG1 4.38Å; I962-I964 HydrophobicContact CG2-CG1 4.4Å; I964-S976 PolarHBondContact N-OG 2.66Å; I964-S976 WeakPolarHBondContact O-CB 3.19Å; I964-S976 PolarHBondContact O-N 2.95Å; I964-S976 PolarHBondContact O-OG 3Å |
| 965 | Q | 89 | Confident | 82.9 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.3 | 168.3 | 61.4 | -176.4 | 23.2 | 0 | 0 | 110.7 | Y931 L932 G973 F975 | Y931-Q965 CarbonylContact C-O 3.6Å; Y931-Q965 VanDerWaalsContact CA-O 3.3Å; Y931-Q965 WeakPolarHBondContact CA-O 3.24Å; L932-Q965 HydrophobicContact CB-CG 3.96Å; L932-Q965 HydrophobicContact CD1-CG 4.17Å; L932-Q965 PolarHBondContact N-O 3.34Å; L932-Q965 PolarHBondContact O-N 2.98Å; Q965-G973 PolarHBondContact OE1-O 2.87Å; Q965-F975 HydrophobicContact CB-CD1 3.93Å; Q965-F975 HydrophobicContact CB-CE1 4.32Å; Q965-F975 HydrophobicContact CB-CG 4.26Å; Q965-F975 HydrophobicContact CG-CD1 3.93Å; Q965-F975 HydrophobicContact CG-CE1 3.79Å; Q965-F975 HydrophobicContact CG-CG 4.45Å; Q965-F975 HydrophobicContact CG-CZ 4.2Å |
| 966 | A | 87.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 154.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P868 V871 P921 I928 Y931 G973 | P868-A966 HydrophobicContact CB-CB 3.83Å; P868-A966 HydrophobicContact CG-CB 4.17Å; V871-A966 HydrophobicContact CG2-CB 4.08Å; P921-A966 HydrophobicContact CG-CB 3.61Å; I928-A966 HydrophobicContact CD1-CB 4.22Å; I928-A966 HydrophobicContact CG1-CB 4.49Å; I928-A966 HydrophobicContact CG2-CB 4.05Å; Y931-A966 HydrophobicContact CD1-CB 3.69Å; Y931-A966 HydrophobicContact CE1-CB 3.66Å; A966-G973 PolarHBondContact O-N 3.36Å |
| 967 | Q | 87.3 | Confident | 83.7 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.6 | 177.4 | 178.1 | 175.3 | -3.8 | 0 | 0 | 110 | I928 T929 S930 L932 G971 T972 | I928-Q967 CarbonylContact C-O 3.4Å; I928-Q967 WeakPolarHBondContact CA-O 3.35Å; I928-Q967 WeakPolarHBondContact CG2-O 3.43Å; T929-Q967 PolarHBondContact N-O 3.22Å; T929-Q967 PolarHBondContact OG1-O 2.84Å; S930-Q967 PolarHBondContact N-O 3.11Å; S930-Q967 PolarHBondContact O-N 3.24Å; S930-Q967 WeakPolarHBondContact OG-CB 3.34Å; S930-Q967 PolarHBondContact OG-OE1 2.99Å; L932-Q967 HydrophobicContact CD1-CB 4.2Å; Q967-G971 WeakPolarHBondContact CA-O 3.37Å; Q967-T972 HydrophobicContact CB-CG2 4.1Å; Q967-T972 HydrophobicContact CG-CG2 4.06Å |
| 968 | N | 84.6 | Confident | 84 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.011 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | -172.6 | 168.4 | 68.9 | 12.5 | 0 | 0 | 0 | 110.6 | S866 P868 D923 S926 E927 L970 G971 | S866-N968 PolarHBondContact O-ND2 3.32Å; P868-N968 HydrophobicContact CG-CB 3.82Å; D923-N968 PolarHBondContact O-ND2 3.12Å; D923-N968 VanDerWaalsContact O-ND2 3.08Å; S926-N968 WeakPolarHBondContact O-CB 3.44Å; S926-N968 PolarHBondContact O-ND2 3.28Å; E927-N968 WeakPolarHBondContact O-CB 3.33Å; N968-L970 PolarHBondContact O-N 3.06Å; N968-L970 VanDerWaalsContact O-N 3.11Å; N968-L970 WeakPolarHBondContact OD1-CB 3.46Å; N968-L970 PolarHBondContact OD1-N 3.44Å; N968-G971 PolarHBondContact N-O 3.39Å; N968-G971 PolarHBondContact O-N 2.63Å; N968-G971 VanDerWaalsContact O-N 3.09Å; N968-G971 PolarHBondContact OD1-N 3.36Å; N968-G971 PolarHBondContact OD1-O 2.86Å |
| 969 | S | 81.6 | Confident | 84.1 | Confident | 92 Ų | 92 | 55.8 Ų | 55.8 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -21.8 | 179.8 | 71.6 | 0 | 0 | 0 | 0 | 114.7 | S926 | S926-S969 PolarHBondContact OG-OG 2.87Š|
| 970 | L | 80.3 | Confident | 84.1 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 50% | 0.503 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -12.6 | -178.9 | -58.8 | 172.9 | 0 | 0 | 0 | 112.9 | C865 V867 N968 | C865-L970 HydrophobicContact CB-CD1 3.66Å; V867-L970 HydrophobicContact CG1-CB 4.42Å; N968-L970 PolarHBondContact O-N 3.06Å; N968-L970 VanDerWaalsContact O-N 3.11Å; N968-L970 WeakPolarHBondContact OD1-CB 3.46Å; N968-L970 PolarHBondContact OD1-N 3.44Å |
| 971 | G | 80.9 | Confident | 84 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 136 | -169.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q967 N968 | Q967-G971 WeakPolarHBondContact CA-O 3.37Å; N968-G971 PolarHBondContact N-O 3.39Å; N968-G971 PolarHBondContact O-N 2.63Å; N968-G971 VanDerWaalsContact O-N 3.09Å; N968-G971 PolarHBondContact OD1-N 3.36Å; N968-G971 PolarHBondContact OD1-O 2.86Å |
| 972 | T | 84.6 | Confident | 83.7 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 40% | 0.399 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.9 | 178.9 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | L932 Q967 | L932-T972 HydrophobicContact CD1-CG2 3.78Å; Q967-T972 HydrophobicContact CB-CG2 4.1Å; Q967-T972 HydrophobicContact CG-CG2 4.06Å |
| 973 | G | 84.2 | Confident | 83.3 | Confident | 4 Ų | 4 | 57 Ų | 57 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | trans | -71.8 | 179.1 | 165 | 0 | 0 | 0 | 0 | 0 | 112.4 | P868 Q965 A966 | P868-G973 WeakPolarHBondContact O-CA 3.35Å; Q965-G973 PolarHBondContact OE1-O 2.87Å; A966-G973 PolarHBondContact O-N 3.36Å | ||
| 974 | P | 86.1 | Confident | 82.7 | Confident | 72 Ų | 72 | 56 Ų | 56 | 47% | 0.468 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 150.9 | -179.7 | 30.5 | -34.4 | 0 | 0 | 0 | 113.2 | P868 A870 | P868-P974 WeakPolarHBondContact O-CD 3.18Å; A870-P974 HydrophobicContact CB-CG 3.97Å |
| 975 | F | 84.9 | Confident | 81.7 | Confident | 66 Ų | 66 | 58.5 Ų | 58.5 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 141.5 | 172.3 | -77.2 | -72.2 | 0 | 0 | 0 | 113.6 | D934 R963 Q965 | D934-F975 HydrophobicContact CB-CE1 3.85Å; D934-F975 HydrophobicContact CB-CZ 4.24Å; R963-F975 HydrophobicContact CB-CD1 4.18Å; R963-F975 HydrophobicContact CG-CD1 3.61Å; R963-F975 HydrophobicContact CG-CE1 3.97Å; R963-F975 HydrophobicContact CG-CG 4.23Å; R963-F975 VanDerWaalsContact NH1-CD2 3.33Å; Q965-F975 HydrophobicContact CB-CD1 3.93Å; Q965-F975 HydrophobicContact CB-CE1 4.32Å; Q965-F975 HydrophobicContact CB-CG 4.26Å; Q965-F975 HydrophobicContact CG-CD1 3.93Å; Q965-F975 HydrophobicContact CG-CE1 3.79Å; Q965-F975 HydrophobicContact CG-CG 4.45Å; Q965-F975 HydrophobicContact CG-CZ 4.2Å |
| 976 | S | 86.3 | Confident | 80.8 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 8% | 0.077 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 168.4 | 166.3 | 75.1 | 0 | 0 | 0 | 0 | 112.8 | V871 I874 I964 | V871-S976 WeakPolarHBondContact O-CB 3.02Å; I874-S976 VanDerWaalsContact CD1-OG 3.32Å; I874-S976 WeakPolarHBondContact CD1-OG 3.44Å; I964-S976 PolarHBondContact N-OG 2.66Å; I964-S976 WeakPolarHBondContact O-CB 3.19Å; I964-S976 PolarHBondContact O-N 2.95Å; I964-S976 PolarHBondContact O-OG 3Å |
| 977 | H | 80.3 | Confident | 80 | Confident | 180 Ų | 180 | 65.8 Ų | 65.8 | 83% | 0.833 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 139 | 166.2 | -63.3 | -68.9 | 0 | 0 | 0 | 111.6 | ||
| 978 | T | 81.1 | Confident | 79.2 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 53% | 0.534 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 123.3 | -178.7 | -48.1 | 0 | 0 | 0 | 0 | 111.5 | R961 I962 | R961-T978 HydrophobicContact CB-CG2 3.94Å; I962-T978 WeakPolarHBondContact O-CA 3.45Å |
| 979 | F | 79.4 | Confident | 78.6 | Confident | 41 Ų | 41 | 72.3 Ų | 72.3 | 18% | 0.18 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 168.9 | 172.9 | 67.2 | -76.6 | 0 | 0 | 0 | 111.7 | I874 V916 R961 I962 | I874-F979 HydrophobicContact CB-CD1 4.36Å; I874-F979 HydrophobicContact CB-CE1 3.98Å; I874-F979 HydrophobicContact CB-CZ 4.37Å; I874-F979 HydrophobicContact CD1-CD1 4.12Å; I874-F979 HydrophobicContact CD1-CE1 3.73Å; I874-F979 HydrophobicContact CG1-CE1 4.45Å; I874-F979 HydrophobicContact CG2-CD1 4.33Å; I874-F979 HydrophobicContact CG2-CE1 3.51Å; I874-F979 HydrophobicContact CG2-CE2 4.38Å; I874-F979 HydrophobicContact CG2-CZ 3.52Å; V916-F979 HydrophobicContact CG1-CE2 4.08Å; V916-F979 HydrophobicContact CG1-CZ 3.87Å; R961-F979 WeakPolarHBondContact CA-O 3.44Å; I962-F979 HydrophobicContact CB-CD1 4.08Å; I962-F979 HydrophobicContact CB-CE1 3.52Å; I962-F979 HydrophobicContact CB-CE2 4.02Å; I962-F979 HydrophobicContact CB-CZ 3.5Å; I962-F979 HydrophobicContact CD1-CE2 3.91Å; I962-F979 HydrophobicContact CD1-CZ 3.92Å; I962-F979 HydrophobicContact CG1-CE2 4.47Å; I962-F979 HydrophobicContact CG1-CZ 4.29Å; I962-F979 HydrophobicContact CG2-CD1 4.45Å; I962-F979 HydrophobicContact CG2-CE1 3.49Å; I962-F979 VanDerWaalsContact CG2-CE1 3.49Å; I962-F979 HydrophobicContact CG2-CE2 4.44Å; I962-F979 HydrophobicContact CG2-CZ 3.49Å; I962-F979 VanDerWaalsContact CG2-CZ 3.49Å; I962-F979 PolarHBondContact N-O 2.84Å; I962-F979 WeakPolarHBondContact O-CD1 3.3Å; I962-F979 PolarHBondContact O-N 2.95Å |
| 980 | K | 80.4 | Confident | 78.4 | Confident | 157 Ų | 157 | 70 Ų | 70 | 68% | 0.683 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.3 | -177.1 | -69.9 | 178 | -178 | 173.3 | 0 | 110.7 | Y960 R961 | Y960-K980 WeakPolarHBondContact O-CA 3.26Å; R961-K980 HydrophobicContact CG-CG 4.28Å |
| 981 | L | 79.4 | Confident | 78.2 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 15% | 0.152 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 143.7 | -178.7 | -170.4 | 52.1 | 0 | 0 | 0 | 111.1 | I876 L914 S959 Y960 | I876-L981 HydrophobicContact CD1-CD1 3.77Å; I876-L981 HydrophobicContact CD1-CD2 4.29Å; I876-L981 HydrophobicContact CG1-CD1 4.43Å; I876-L981 HydrophobicContact CG1-CD2 4.07Å; I876-L981 HydrophobicContact CG2-CD1 4.34Å; I876-L981 HydrophobicContact CG2-CD2 3.91Å; L914-L981 HydrophobicContact CB-CD2 4.13Å; L914-L981 HydrophobicContact CD1-CB 4.11Å; L914-L981 HydrophobicContact CD1-CD2 3.92Å; L914-L981 HydrophobicContact CD1-CG 3.8Å; L914-L981 HydrophobicContact CD2-CD2 3.85Å; L914-L981 HydrophobicContact CD2-CG 3.81Å; L914-L981 HydrophobicContact CG-CD2 4.18Å; L914-L981 HydrophobicContact CG-CG 4.34Å; S959-L981 CarbonylContact C-O 3.52Å; S959-L981 WeakPolarHBondContact CA-O 3.48Å; Y960-L981 PolarHBondContact N-O 3.2Å; Y960-L981 PolarHBondContact O-N 2.88Å; Y960-L981 VanDerWaalsContact O-N 3.09Å |
| 982 | K | 78 | Confident | 78.1 | Confident | 100 Ų | 100 | 73.4 Ų | 73.4 | 44% | 0.435 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138 | -177 | -164.5 | -168.5 | -173.9 | -158.1 | 0 | 110.9 | D957 T958 S959 | D957-K982 VanDerWaalsContact C-CE 3.45Å; D957-K982 VanDerWaalsContact CG-CE 3.45Å; D957-K982 WeakPolarHBondContact O-CE 3.44Å; D957-K982 VanDerWaalsContact OD1-CE 3.3Å; D957-K982 WeakPolarHBondContact OD1-CE 3.44Å; D957-K982 IonicContact OD1-NZ 2.68Å; D957-K982 PolarHBondContact OD1-NZ 2.61Å; D957-K982 WeakPolarHBondContact OD2-CE 3.28Å; D957-K982 IonicContact OD2-NZ 2.67Å; D957-K982 PolarHBondContact OD2-NZ 2.64Å; T958-K982 WeakPolarHBondContact O-CA 3.36Å; S959-K982 WeakPolarHBondContact OG-CG 3.29Å |
| 983 | T | 77.2 | Confident | 78 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | trans | -77.2 | 159.4 | 170.6 | 47.7 | 0 | 0 | 0 | 0 | 112.2 | L914 L954 Q955 D957 T958 Y960 | L914-T983 HydrophobicContact CD1-CG2 4.22Å; L914-T983 HydrophobicContact CD2-CG2 4.06Å; L914-T983 HydrophobicContact CG-CG2 3.96Å; L954-T983 HydrophobicContact CB-CG2 3.99Å; L954-T983 HydrophobicContact CD1-CG2 4.3Å; Q955-T983 PolarHBondContact O-OG1 2.72Å; D957-T983 WeakPolarHBondContact CA-O 3.48Å; D957-T983 PolarHBondContact N-OG1 2.6Å; T958-T983 PolarHBondContact N-OG1 2.7Å; T958-T983 PolarHBondContact O-N 3.26Å; T958-T983 VanDerWaalsContact O-N 3.11Å; T958-T983 PolarHBondContact O-OG1 3.03Å; Y960-T983 HydrophobicContact CE2-CG2 4.48Å | ||
| 984 | K | 74.7 | Confident | 77.9 | Confident | 66 Ų | 66 | 74.3 Ų | 74.3 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | trans | -75.8 | 162.4 | 175.2 | -68.7 | -165.5 | -163.8 | 172.9 | 0 | 112.9 | E879 P910 S911 D957 | E879-K984 IonicContact OE1-NZ 2.66Å; E879-K984 PolarHBondContact OE1-NZ 2.73Å; E879-K984 IonicContact OE2-NZ 2.59Å; E879-K984 PolarHBondContact OE2-NZ 2.82Å; P910-K984 HydrophobicContact CB-CB 4.5Å; P910-K984 HydrophobicContact CB-CD 3.91Å; P910-K984 HydrophobicContact CB-CG 4.05Å; P910-K984 HydrophobicContact CG-CB 4.45Å; P910-K984 HydrophobicContact CG-CD 3.65Å; P910-K984 HydrophobicContact CG-CG 4.21Å; P910-K984 PolarHBondContact O-N 3.37Å; S911-K984 WeakPolarHBondContact CA-O 3.14Å; S911-K984 WeakPolarHBondContact CB-O 3.29Å; D957-K984 PolarHBondContact N-O 2.79Å | ||
| 985 | P | 68.8 | Low | 77.7 | Confident | 52 Ų | 52 | 72.8 Ų | 72.8 | 34% | 0.338 | 36% | 0.359 | S | S | . | . | trans | -73.8 | -176.2 | 167.9 | 31.8 | -37.3 | 0 | 0 | 0 | 112.7 | S911 A1065 | S911-P985 WeakPolarHBondContact CB-O 3.48Å; S911-P985 PolarHBondContact OG-O 3.11Å; P985-A1065 VanDerWaalsContact O-CB 3.3Å; P985-A1065 WeakPolarHBondContact O-CB 3.31Å | ||
| 986 | L | 69.4 | Low | 77.6 | Confident | 113 Ų | 113 | 73.5 Ų | 73.5 | 59% | 0.592 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -93.9 | 153.7 | -179.1 | -78 | 159.7 | 0 | 0 | 0 | 113.5 | P956 N1063 | P956-L986 HydrophobicContact CB-CG 4.39Å; P956-L986 HydrophobicContact CG-CD1 4.27Å; P956-L986 HydrophobicContact CG-CG 4.22Å; L986-N1063 PolarHBondContact O-ND2 2.85Å; L986-N1063 VanDerWaalsContact O-ND2 3.12Å |
| 987 | P | 69.6 | Low | 77.1 | Confident | 62 Ų | 62 | 75.5 Ų | 75.5 | 40% | 0.403 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 153.8 | 171.4 | -21 | 33.6 | 0 | 0 | 0 | 113.7 | A1065 | P987-A1065 HydrophobicContact CG-CB 4.14Š|
| 988 | P | 72.3 | Confident | 77.2 | Confident | 26 Ų | 26 | 73.7 Ų | 73.7 | 17% | 0.169 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 156.5 | -173.6 | 35.4 | -34.5 | 0 | 0 | 0 | 113.4 | A1061 N1063 G1068 | P988-A1061 HydrophobicContact CB-CB 4.36Å; P988-A1061 HydrophobicContact CG-CB 4.07Å; P988-N1063 HydrophobicContact CG-CB 4.35Å; P988-G1068 WeakPolarHBondContact O-CA 3.36Å |
| 989 | Q | 71.6 | Confident | 77 | Confident | 174 Ų | 174 | 71.6 Ų | 71.6 | 81% | 0.813 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -87.8 | 153.7 | 174.8 | -67.8 | -170.7 | 7.5 | 0 | 0 | 112.8 | ||
| 990 | P | 76.4 | Confident | 76.8 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 29% | 0.286 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 145.4 | -178.7 | 24.4 | -33.3 | 0 | 0 | 0 | 114 | P1069 | P990-P1069 VanDerWaalsContact CB-O 3.31Å; P990-P1069 WeakPolarHBondContact CB-O 3.49Å; P990-P1069 WeakPolarHBondContact CD-O 3.39Å; P990-P1069 WeakPolarHBondContact CG-O 3.41Å |
| 991 | P | 77.4 | Confident | 76.9 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 12% | 0.117 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 159.8 | 179.4 | 34.7 | -37.9 | 0 | 0 | 0 | 113.3 | W1007 Y1022 I1059 | P991-W1007 HydrophobicContact CG-CB 4.46Å; P991-Y1022 HydrophobicContact CB-CE1 4.17Å; P991-Y1022 HydrophobicContact CG-CD1 3.71Å; P991-Y1022 HydrophobicContact CG-CE1 3.81Å; P991-I1059 HydrophobicContact CG-CD1 3.89Å; P991-I1059 HydrophobicContact CG-CG1 3.97Å; P991-I1059 HydrophobicContact CG-CG2 3.94Å; P991-I1059 WeakPolarHBondContact O-CG2 3.22Å |
| 992 | R | 77.8 | Confident | 77 | Confident | 171 Ų | 171 | 70.9 Ų | 70.9 | 65% | 0.645 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 145.7 | 170.6 | -161.1 | -173.6 | -162.7 | -154.6 | 13.5 | 111.5 | E994 W1007 G1008 | R992-E994 IonicContact CZ-OE1 3.14Å; R992-E994 IonicContact NE-OE1 2.7Å; R992-E994 IonicContact NH1-OE1 2.69Å; R992-E994 PolarHBondContact NH1-OE1 3.4Å; R992-W1007 WeakPolarHBondContact O-CA 3.38Å; R992-W1007 WeakPolarHBondContact O-CB 3.34Å; R992-G1008 PolarHBondContact O-N 2.78Å |
| 993 | L | 83.4 | Confident | 77.4 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.9 | -179.3 | -176.3 | 67.5 | 0 | 0 | 0 | 111.6 | L1005 W1007 L1024 F1057 I1059 Y1074 | L993-L1005 HydrophobicContact CD1-CB 4.17Å; L993-L1005 HydrophobicContact CD1-CD1 4.47Å; L993-W1007 HydrophobicContact CD1-CB 4.06Å; L993-W1007 HydrophobicContact CD1-CD2 4.35Å; L993-W1007 HydrophobicContact CD1-CE3 3.64Å; L993-W1007 HydrophobicContact CD1-CZ3 4.47Å; L993-L1024 HydrophobicContact CD1-CD1 3.93Å; L993-L1024 HydrophobicContact CD2-CD1 3.79Å; L993-F1057 HydrophobicContact CD2-CB 3.57Å; L993-F1057 HydrophobicContact CD2-CG 4.49Å; L993-I1059 HydrophobicContact CB-CG2 4.46Å; L993-Y1074 HydrophobicContact CB-CD1 4.17Å; L993-Y1074 HydrophobicContact CB-CD2 3.82Å; L993-Y1074 HydrophobicContact CB-CE1 4.11Å; L993-Y1074 HydrophobicContact CB-CE2 3.77Å; L993-Y1074 HydrophobicContact CB-CG 4.02Å; L993-Y1074 HydrophobicContact CD2-CD2 3.99Å; L993-Y1074 HydrophobicContact CD2-CG 4.18Å; L993-Y1074 HydrophobicContact CG-CD2 4.45Å; L993-Y1074 HydrophobicContact CG-CG 4.46Å; L993-Y1074 PolarHBondContact N-OH 3.11Å; L993-Y1074 VanDerWaalsContact O-CD1 3.23Å; L993-Y1074 WeakPolarHBondContact O-CD1 3.35Å; L993-Y1074 WeakPolarHBondContact O-CE1 3.36Å |
| 994 | E | 82.4 | Confident | 77.8 | Confident | 83 Ų | 83 | 72.4 Ų | 72.4 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 150.9 | -173.6 | -62.6 | -178.2 | 172.1 | 0 | 0 | 112.1 | R992 L1005 K1006 | R992-E994 IonicContact CZ-OE1 3.14Å; R992-E994 IonicContact NE-OE1 2.7Å; R992-E994 IonicContact NH1-OE1 2.69Å; R992-E994 PolarHBondContact NH1-OE1 3.4Å; E994-L1005 CarbonylContact O-C 3.55Å; E994-L1005 VanDerWaalsContact O-CA 3.27Å; E994-L1005 WeakPolarHBondContact O-CA 3.45Å; E994-K1006 PolarHBondContact N-O 2.84Å; E994-K1006 PolarHBondContact O-N 3Å |
| 995 | C | 81.9 | Confident | 78.4 | Confident | 40 Ų | 40 | 69.2 Ų | 69.2 | 27% | 0.27 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.6 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | R1004 L1005 F1076 | C995-R1004 CarbonylContact C-O 3.45Å; C995-R1004 WeakPolarHBondContact CA-O 3.33Å; C995-L1005 HydrophobicContact CB-CD2 3.79Å; C995-F1076 HydrophobicContact CB-CD1 3.55Å; C995-F1076 HydrophobicContact CB-CD2 4.17Å; C995-F1076 HydrophobicContact CB-CE1 3.49Å; C995-F1076 VanDerWaalsContact CB-CE1 3.49Å; C995-F1076 HydrophobicContact CB-CE2 4.12Å; C995-F1076 HydrophobicContact CB-CG 3.91Å; C995-F1076 HydrophobicContact CB-CZ 3.8Å |
| 996 | T | 81.1 | Confident | 79.1 | Confident | 82 Ų | 82 | 70.3 Ų | 70.3 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -18.8 | -166.1 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | R1004 K1006 | T996-R1004 PolarHBondContact N-O 2.79Å; T996-R1004 PolarHBondContact OG1-O 3.01Å; T996-K1006 HydrophobicContact CG2-CB 3.91Å |
| 997 | A | 77.4 | Confident | 79.9 | Confident | 52 Ų | 52 | 65.1 Ų | 65.1 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 143.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L1003 R1004 | A997-L1003 CarbonylContact O-C 3.58Å; A997-L1003 WeakPolarHBondContact O-CA 3.09Å; A997-R1004 HydrophobicContact CB-CB 4.33Å; A997-R1004 PolarHBondContact O-N 3.09Å |
| 998 | F | 80.4 | Confident | 80 | Confident | 143 Ų | 143 | 62.9 Ų | 62.9 | 63% | 0.627 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 155.4 | 178.6 | 61.1 | -96.1 | 0 | 0 | 0 | 112.9 | T1002 L1003 P1079 | F998-T1002 CarbonylContact C-O 3.6Å; F998-T1002 VanDerWaalsContact CA-O 3.32Å; F998-T1002 WeakPolarHBondContact CA-O 3.45Å; F998-L1003 HydrophobicContact CB-CD2 3.62Å; F998-P1079 HydrophobicContact CD2-CG 4.23Å; F998-P1079 HydrophobicContact CE2-CG 4.42Å |
| 999 | S | 77.4 | Confident | 79.7 | Confident | 42 Ų | 42 | 69.7 Ų | 69.7 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 176.4 | 168.1 | 79.3 | 0 | 0 | 0 | 0 | 109 | Q1001 T1002 T1078 | S999-Q1001 PolarHBondContact O-N 3.03Å; S999-Q1001 PolarHBondContact OG-N 2.85Å; S999-T1002 PolarHBondContact N-O 2.9Å; S999-T1002 PolarHBondContact O-N 3.47Å; S999-T1002 PolarHBondContact OG-N 2.8Å; S999-T1002 PolarHBondContact OG-OG1 3.37Å; S999-T1078 WeakPolarHBondContact O-CG2 3.29Å |
| 1000 | H | 76.3 | Confident | 79.2 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 37% | 0.366 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -5.3 | 175.9 | 75 | -88 | 0 | 0 | 0 | 114.1 | N1050 E1051 P1079 | H1000-N1050 CarbonylContact O-C 3.59Å; H1000-E1051 HydrophobicContact CB-CB 4.15Å; H1000-E1051 PolarHBondContact O-N 2.85Å; H1000-P1079 HydrophobicContact CB-CG 4.33Å; H1000-P1079 WeakPolarHBondContact CB-O 3.16Å |
| 1001 | Q | 82.4 | Confident | 78.3 | Confident | 99 Ų | 99 | 65.6 Ų | 65.6 | 46% | 0.463 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | 5.6 | 176.1 | -50.7 | -175.2 | 27.3 | 0 | 0 | 116.2 | S999 R1048 L1049 | S999-Q1001 PolarHBondContact O-N 3.03Å; S999-Q1001 PolarHBondContact OG-N 2.85Å; Q1001-R1048 PolarHBondContact O-N 3.08Å; Q1001-R1048 VanDerWaalsContact O-N 3.13Å; Q1001-L1049 VanDerWaalsContact CA-O 3.32Å; Q1001-L1049 WeakPolarHBondContact CA-O 3.35Å; Q1001-L1049 WeakPolarHBondContact CB-O 3.18Å; Q1001-L1049 PolarHBondContact O-N 3.34Å |
| 1002 | T | 82 | Confident | 77.3 | Confident | 35 Ų | 35 | 68.8 Ų | 68.8 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 150.3 | -173.7 | 63.7 | 0 | 0 | 0 | 0 | 114 | F998 S999 V1046 Q1047 | F998-T1002 CarbonylContact C-O 3.6Å; F998-T1002 VanDerWaalsContact CA-O 3.32Å; F998-T1002 WeakPolarHBondContact CA-O 3.45Å; S999-T1002 PolarHBondContact N-O 2.9Å; S999-T1002 PolarHBondContact O-N 3.47Å; S999-T1002 PolarHBondContact OG-N 2.8Å; S999-T1002 PolarHBondContact OG-OG1 3.37Å; T1002-V1046 WeakPolarHBondContact CA-O 3.46Å; T1002-Q1047 HydrophobicContact CG2-CB 4.29Å; T1002-Q1047 HydrophobicContact CG2-CG 4.14Å |
| 1003 | L | 84.4 | Confident | 76.1 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.016 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154.1 | 171.1 | -65.5 | 170.8 | 0 | 0 | 0 | 110.8 | A997 F998 V1046 L1049 F1076 | A997-L1003 CarbonylContact O-C 3.58Å; A997-L1003 WeakPolarHBondContact O-CA 3.09Å; F998-L1003 HydrophobicContact CB-CD2 3.62Å; L1003-V1046 HydrophobicContact CB-CB 4.49Å; L1003-V1046 PolarHBondContact N-O 2.77Å; L1003-V1046 PolarHBondContact O-N 2.7Å; L1003-L1049 HydrophobicContact CB-CD1 4.09Å; L1003-L1049 HydrophobicContact CD1-CD1 3.65Å; L1003-L1049 HydrophobicContact CG-CD1 3.52Å; L1003-F1076 HydrophobicContact CD1-CB 3.86Å; L1003-F1076 HydrophobicContact CD2-CB 4.33Å |
| 1004 | R | 85.7 | Confident | 74.4 | Confident | 132 Ų | 132 | 75 Ų | 75 | 50% | 0.498 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 116.7 | 174.4 | -167.4 | -178.3 | -169 | 178.6 | 2.9 | 111.7 | C995 T996 A997 K1045 | C995-R1004 CarbonylContact C-O 3.45Å; C995-R1004 WeakPolarHBondContact CA-O 3.33Å; T996-R1004 PolarHBondContact N-O 2.79Å; T996-R1004 PolarHBondContact OG1-O 3.01Å; A997-R1004 HydrophobicContact CB-CB 4.33Å; A997-R1004 PolarHBondContact O-N 3.09Å; R1004-K1045 HydrophobicContact CG-CB 4.33Å; R1004-K1045 HydrophobicContact CG-CG 4.46Å |
| 1005 | L | 87.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 149.5 | -173.3 | -53.7 | -177.4 | 0 | 0 | 0 | 112.4 | L993 E994 C995 W1007 T1043 H1044 V1046 F1057 F1076 | L993-L1005 HydrophobicContact CD1-CB 4.17Å; L993-L1005 HydrophobicContact CD1-CD1 4.47Å; E994-L1005 CarbonylContact O-C 3.55Å; E994-L1005 VanDerWaalsContact O-CA 3.27Å; E994-L1005 WeakPolarHBondContact O-CA 3.45Å; C995-L1005 HydrophobicContact CB-CD2 3.79Å; L1005-W1007 HydrophobicContact CB-CZ3 4.5Å; L1005-T1043 CarbonylContact O-C 3.59Å; L1005-T1043 VanDerWaalsContact O-CA 3.27Å; L1005-T1043 WeakPolarHBondContact O-CA 3.37Å; L1005-T1043 WeakPolarHBondContact O-CB 3.25Å; L1005-H1044 PolarHBondContact N-O 2.81Å; L1005-H1044 PolarHBondContact O-N 3.39Å; L1005-V1046 HydrophobicContact CD1-CG2 4.48Å; L1005-F1057 HydrophobicContact CD1-CD1 3.61Å; L1005-F1057 HydrophobicContact CD1-CD2 4.19Å; L1005-F1057 HydrophobicContact CD1-CE1 3.69Å; L1005-F1057 HydrophobicContact CD1-CE2 4.27Å; L1005-F1057 HydrophobicContact CD1-CG 3.88Å; L1005-F1057 HydrophobicContact CD1-CZ 4.04Å; L1005-F1076 HydrophobicContact CD2-CD2 3.74Å; L1005-F1076 HydrophobicContact CD2-CE2 3.55Å; L1005-F1076 HydrophobicContact CD2-CZ 4.33Å |
| 1006 | K | 83.9 | Confident | 71.3 | Confident | 75 Ų | 75 | 79.6 Ų | 79.6 | 33% | 0.326 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 146.9 | 173.5 | 178.8 | -174.8 | 175.4 | -150.4 | 0 | 109.6 | E994 T996 G1008 H1042 T1043 | E994-K1006 PolarHBondContact N-O 2.84Å; E994-K1006 PolarHBondContact O-N 3Å; T996-K1006 HydrophobicContact CG2-CB 3.91Å; K1006-G1008 WeakPolarHBondContact CE-O 3.25Å; K1006-H1042 CarbonylContact C-O 3.5Å; K1006-H1042 WeakPolarHBondContact CA-O 3.41Å; K1006-T1043 HydrophobicContact CB-CG2 4.03Å; K1006-T1043 HydrophobicContact CG-CG2 3.94Å |
| 1007 | W | 86.7 | Confident | 69.9 | Low | 3 Ų | 3 | 81 Ų | 81 | 1% | 0.011 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150.8 | 170.6 | 56.1 | 89.1 | 0 | 0 | 0 | 112 | P991 R992 L993 L1005 Y1022 L1024 Y1037 C1041 H1042 H1044 I1059 | P991-W1007 HydrophobicContact CG-CB 4.46Å; R992-W1007 WeakPolarHBondContact O-CA 3.38Å; R992-W1007 WeakPolarHBondContact O-CB 3.34Å; L993-W1007 HydrophobicContact CD1-CB 4.06Å; L993-W1007 HydrophobicContact CD1-CD2 4.35Å; L993-W1007 HydrophobicContact CD1-CE3 3.64Å; L993-W1007 HydrophobicContact CD1-CZ3 4.47Å; L1005-W1007 HydrophobicContact CB-CZ3 4.5Å; W1007-Y1022 AromaticContact NE1-CD2 3.76Å; W1007-Y1022 AromaticContact NE1-CG 3.88Å; W1007-L1024 HydrophobicContact CE3-CD2 4.47Å; W1007-L1024 HydrophobicContact CH2-CB 4.43Å; W1007-L1024 HydrophobicContact CH2-CD2 3.87Å; W1007-L1024 HydrophobicContact CZ3-CD2 3.67Å; W1007-Y1037 HydrophobicContact CH2-CD1 4.17Å; W1007-Y1037 AromaticContact CZ2-CD1 3.68Å; W1007-Y1037 HydrophobicContact CZ2-CD1 3.68Å; W1007-Y1037 HydrophobicContact CZ2-CE1 4.12Å; W1007-Y1037 HydrophobicContact CZ2-CG 4.49Å; W1007-C1041 VanDerWaalsContact CE2-O 3.24Å; W1007-C1041 VanDerWaalsContact CZ2-O 3.23Å; W1007-C1041 WeakPolarHBondContact CZ2-O 3.44Å; W1007-C1041 PolarHBondContact NE1-O 3.4Å; W1007-H1042 PolarHBondContact N-O 3.24Å; W1007-H1042 WeakPolarHBondContact O-CB 3.41Å; W1007-H1042 PolarHBondContact O-CD2 2.79Å; W1007-H1044 HydrophobicContact CH2-CB 3.74Å; W1007-H1044 HydrophobicContact CZ3-CB 3.81Å; W1007-I1059 HydrophobicContact CB-CD1 3.94Å; W1007-I1059 HydrophobicContact CD2-CD1 3.56Å; W1007-I1059 HydrophobicContact CE3-CD1 4.34Å; W1007-I1059 HydrophobicContact CG-CD1 3.34Å |
| 1008 | G | 72 | Confident | 68.9 | Low | 16 Ų | 16 | 83.5 Ų | 83.5 | 17% | 0.165 | 46% | 0.457 | C | S | . | . | S | Bend | trans | 67.5 | 168.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R992 K1006 G1010 | R992-G1008 PolarHBondContact O-N 2.78Å; K1006-G1008 WeakPolarHBondContact CE-O 3.25Å; G1008-G1010 PolarHBondContact O-N 2.85Å |
| 1009 | D | 65.6 | Low | 68 | Low | 169 Ų | 169 | 78.6 Ų | 78.6 | 90% | 0.904 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -80.9 | 20.5 | -173.7 | -65 | -54.5 | 0 | 0 | 0 | 114.5 | ||
| 1010 | G | 60 | Low | 67.6 | Low | 21 Ų | 21 | 79 Ų | 79 | 22% | 0.216 | 45% | 0.445 | C | S | . | . | trans | 81.8 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1008 H1042 | G1008-G1010 PolarHBondContact O-N 2.85Å; G1010-H1042 PolarHBondContact O-NE2 2.67Å | ||
| 1011 | P | 58.9 | Low | 67.7 | Low | 111 Ų | 111 | 79.4 Ų | 79.4 | 72% | 0.721 | 45% | 0.447 | S | S | * | . | trans | -66.4 | 130 | -177 | 27.2 | -34 | 0 | 0 | 0 | 111.2 | ||||
| 1012 | P | 55.4 | Low | 67.9 | Low | 85 Ų | 85 | 76.2 Ų | 76.2 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | trans | -65.3 | 157.4 | 173.2 | 28.2 | -34.4 | 0 | 0 | 0 | 111.2 | S1014 | P1012-S1014 PolarHBondContact O-N 2.83Š| ||
| 1013 | K | 52.6 | Low | 68.2 | Low | 222 Ų | 222 | 75.7 Ų | 75.7 | 97% | 0.965 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -70.3 | 0.4 | -174.8 | -69.5 | -176.2 | 177.3 | 178.2 | 0 | 115.2 | ||
| 1014 | S | 48.3 | Very low | 68.3 | Low | 82 Ų | 82 | 75.5 Ų | 75.5 | 57% | 0.573 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -144.8 | 129.8 | 174.4 | 53.3 | 0 | 0 | 0 | 0 | 109.3 | P1012 | P1012-S1014 PolarHBondContact O-N 2.83Š|
| 1015 | V | 48.7 | Very low | 68.5 | Low | 137 Ų | 137 | 70.1 Ų | 70.1 | 83% | 0.83 | 41% | 0.405 | S | S | * | . | trans | -93.4 | 102 | 173.2 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1016 | T | 51.3 | Low | 68.4 | Low | 84 Ų | 84 | 72 Ų | 72 | 52% | 0.515 | 42% | 0.415 | S | S | . | . | trans | -88.7 | 163.2 | 162.7 | 47.7 | 0 | 0 | 0 | 0 | 109.9 | D1018 | T1016-D1018 PolarHBondContact O-N 2.87Š| ||
| 1017 | S | 50.8 | Low | 68.4 | Low | 111 Ų | 111 | 68.8 Ų | 68.8 | 78% | 0.776 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -35 | 173.6 | 34.3 | 0 | 0 | 0 | 0 | 112.8 | A1019 | S1017-A1019 PolarHBondContact O-N 2.68Å; S1017-A1019 VanDerWaalsContact O-N 3.16Å |
| 1018 | D | 56.3 | Low | 67.9 | Low | 104 Ų | 104 | 71.5 Ų | 71.5 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 9.8 | -165.5 | -38.6 | -7.5 | 0 | 0 | 0 | 112.5 | T1016 | T1016-D1018 PolarHBondContact O-N 2.87Š|
| 1019 | A | 62.3 | Low | 67.7 | Low | 40 Ų | 40 | 80.9 Ų | 80.9 | 33% | 0.331 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 129.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | S1017 Q1021 | S1017-A1019 PolarHBondContact O-N 2.68Å; S1017-A1019 VanDerWaalsContact O-N 3.16Å; A1019-Q1021 PolarHBondContact O-N 2.99Å |
| 1020 | P | 68.8 | Low | 68 | Low | 52 Ų | 52 | 77.6 Ų | 77.6 | 34% | 0.338 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 133.4 | -176.3 | 26.6 | -34.6 | 0 | 0 | 0 | 111.4 | F1062 | P1020-F1062 WeakPolarHBondContact CA-O 3.26Š|
| 1021 | Q | 79 | Confident | 68.3 | Low | 87 Ų | 87 | 79 Ų | 79 | 41% | 0.407 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 151.9 | 176.9 | -64.2 | -175.1 | 38.7 | 0 | 0 | 110.7 | A1019 A1061 F1062 | A1019-Q1021 PolarHBondContact O-N 2.99Å; Q1021-A1061 CarbonylContact O-C 3.43Å; Q1021-A1061 WeakPolarHBondContact O-CA 3.31Å; Q1021-F1062 HydrophobicContact CB-CD1 3.97Å; Q1021-F1062 HydrophobicContact CB-CD2 4.17Å; Q1021-F1062 HydrophobicContact CB-CE1 3.43Å; Q1021-F1062 VanDerWaalsContact CB-CE1 3.43Å; Q1021-F1062 HydrophobicContact CB-CE2 3.69Å; Q1021-F1062 HydrophobicContact CB-CG 4.3Å; Q1021-F1062 HydrophobicContact CB-CZ 3.28Å; Q1021-F1062 HydrophobicContact CG-CE2 4.25Å; Q1021-F1062 HydrophobicContact CG-CZ 4.17Å; Q1021-F1062 PolarHBondContact N-O 2.8Å; Q1021-F1062 VanDerWaalsContact N-O 3.1Å; Q1021-F1062 WeakPolarHBondContact O-CD1 3.35Å; Q1021-F1062 PolarHBondContact O-N 2.97Å |
| 1022 | Y | 85.8 | Confident | 69.3 | Low | 31 Ų | 31 | 82.4 Ų | 82.4 | 12% | 0.122 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 155.3 | -172.9 | -58 | -63.1 | 0 | 0 | 0 | 113.5 | P991 W1007 K1038 G1039 H1042 Q1060 A1061 | P991-Y1022 HydrophobicContact CB-CE1 4.17Å; P991-Y1022 HydrophobicContact CG-CD1 3.71Å; P991-Y1022 HydrophobicContact CG-CE1 3.81Å; W1007-Y1022 AromaticContact NE1-CD2 3.76Å; W1007-Y1022 AromaticContact NE1-CG 3.88Å; Y1022-K1038 CarbonylContact O-C 3.56Å; Y1022-K1038 VanDerWaalsContact O-CA 3.26Å; Y1022-K1038 WeakPolarHBondContact O-CA 3.5Å; Y1022-G1039 PolarHBondContact N-O 2.89Å; Y1022-G1039 PolarHBondContact O-N 2.98Å; Y1022-H1042 AromaticContact CE2-CE1 3.79Å; Y1022-H1042 AromaticContact CE2-NE2 3.7Å; Y1022-Q1060 CarbonylContact C-O 3.54Å; Y1022-Q1060 VanDerWaalsContact CA-O 3.31Å; Y1022-Q1060 WeakPolarHBondContact CA-O 3.44Å; Y1022-A1061 HydrophobicContact CD1-CB 3.85Å; Y1022-A1061 HydrophobicContact CE1-CB 3.88Å |
| 1023 | H | 87.9 | Confident | 70.5 | Confident | 24 Ų | 24 | 80.8 Ų | 80.8 | 11% | 0.111 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 104.1 | 176.7 | -174.1 | 179.4 | 0 | 0 | 0 | 112 | Q1025 S1035 Y1037 K1038 I1059 Q1060 | H1023-Q1025 PolarHBondContact CE1-NE2 3.05Å; H1023-S1035 PolarHBondContact NE2-OG 3.39Å; H1023-Y1037 CarbonylContact C-O 3.55Å; H1023-Y1037 WeakPolarHBondContact CA-O 3.4Å; H1023-Y1037 PolarHBondContact CD2-O 3.16Å; H1023-K1038 HydrophobicContact CB-CB 4.37Å; H1023-K1038 HydrophobicContact CB-CD 4.15Å; H1023-K1038 HydrophobicContact CB-CG 3.95Å; H1023-I1059 VanDerWaalsContact O-CA 3.26Å; H1023-I1059 WeakPolarHBondContact O-CA 3.43Å; H1023-Q1060 HydrophobicContact CB-CG 3.96Å; H1023-Q1060 PolarHBondContact N-O 2.86Å; H1023-Q1060 PolarHBondContact O-N 2.7Å |
| 1024 | L | 87.4 | Confident | 72 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 138.8 | 178.6 | 179.9 | 76.2 | 0 | 0 | 0 | 112.1 | L993 W1007 L1036 Y1037 H1044 I1059 | L993-L1024 HydrophobicContact CD1-CD1 3.93Å; L993-L1024 HydrophobicContact CD2-CD1 3.79Å; W1007-L1024 HydrophobicContact CE3-CD2 4.47Å; W1007-L1024 HydrophobicContact CH2-CB 4.43Å; W1007-L1024 HydrophobicContact CH2-CD2 3.87Å; W1007-L1024 HydrophobicContact CZ3-CD2 3.67Å; L1024-L1036 HydrophobicContact CD2-CB 4.21Å; L1024-L1036 HydrophobicContact CD2-CD1 4.4Å; L1024-L1036 HydrophobicContact CG-CB 4.49Å; L1024-L1036 PolarHBondContact O-N 2.96Å; L1024-Y1037 PolarHBondContact N-O 2.95Å; L1024-Y1037 PolarHBondContact O-N 3.15Å; L1024-H1044 HydrophobicContact CD2-CB 4.43Å; L1024-I1059 HydrophobicContact CB-CD1 4.28Å; L1024-I1059 HydrophobicContact CD1-CB 4.2Å; L1024-I1059 HydrophobicContact CD1-CD1 4.37Å |
| 1025 | Q | 88.6 | Confident | 73.6 | Confident | 18 Ų | 18 | 73.7 Ų | 73.7 | 8% | 0.084 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 152.5 | 176.1 | -47.8 | -177.5 | -12.2 | 0 | 0 | 111.4 | H1023 F1033 I1034 F1057 R1058 F1070 | H1023-Q1025 PolarHBondContact CE1-NE2 3.05Å; Q1025-F1033 HydrophobicContact CB-CB 3.96Å; Q1025-F1033 HydrophobicContact CB-CD1 4.35Å; Q1025-I1034 CarbonylContact C-O 3.52Å; Q1025-I1034 WeakPolarHBondContact CA-O 3.34Å; Q1025-I1034 WeakPolarHBondContact CB-O 3.14Å; Q1025-F1057 CarbonylContact O-C 3.52Å; Q1025-F1057 VanDerWaalsContact O-CA 3.25Å; Q1025-F1057 WeakPolarHBondContact O-CA 3.48Å; Q1025-R1058 HydrophobicContact CB-CG 4.16Å; Q1025-R1058 PolarHBondContact N-O 2.93Å; Q1025-R1058 PolarHBondContact O-N 3.26Å; Q1025-R1058 VanDerWaalsContact OE1-CZ 3.31Å; Q1025-F1070 HydrophobicContact CG-CE1 4.37Å |
| 1026 | M | 86.9 | Confident | 75.2 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 20% | 0.202 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.1 | 176.6 | -179.7 | -178 | 75.9 | 0 | 0 | 110.4 | F1033 I1034 L1036 V1046 T1056 F1057 | M1026-F1033 CarbonylContact O-C 3.54Å; M1026-F1033 WeakPolarHBondContact O-CA 3.35Å; M1026-I1034 PolarHBondContact N-O 2.88Å; M1026-I1034 PolarHBondContact O-N 2.86Å; M1026-L1036 HydrophobicContact CB-CD1 3.62Å; M1026-L1036 HydrophobicContact CB-CD2 4.25Å; M1026-L1036 HydrophobicContact CB-CG 3.77Å; M1026-L1036 HydrophobicContact CE-CD2 4.48Å; M1026-L1036 HydrophobicContact CG-CD1 4.44Å; M1026-L1036 HydrophobicContact SD-CD1 4.23Å; M1026-V1046 HydrophobicContact SD-CG1 4.4Å; M1026-T1056 CarbonylContact C-O 3.58Å; M1026-T1056 VanDerWaalsContact CA-O 3.28Å; M1026-T1056 WeakPolarHBondContact CA-O 3.49Å; M1026-T1056 VanDerWaalsContact CG-O 3.3Å; M1026-T1056 WeakPolarHBondContact CG-O 3.32Å; M1026-F1057 HydrophobicContact CB-CD1 3.67Å; M1026-F1057 HydrophobicContact CB-CE1 3.69Å; M1026-F1057 HydrophobicContact CG-CD1 3.78Å; M1026-F1057 HydrophobicContact CG-CE1 3.41Å; M1026-F1057 VanDerWaalsContact CG-CE1 3.41Å; M1026-F1057 HydrophobicContact CG-CZ 3.93Å; M1026-F1057 HydrophobicContact SD-CE1 3.61Å; M1026-F1057 HydrophobicContact SD-CZ 3.89Å |
| 1027 | G | 82.9 | Confident | 76.8 | Confident | 6 Ų | 6 | 68 Ų | 68 | 6% | 0.062 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 137.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1032 T1056 | G1027-R1032 WeakPolarHBondContact CA-O 3.13Å; G1027-T1056 WeakPolarHBondContact CA-OG1 3.41Å; G1027-T1056 PolarHBondContact N-O 2.8Å |
| 1028 | D | 76.2 | Confident | 78.4 | Confident | 60 Ų | 60 | 67.4 Ų | 67.4 | 32% | 0.321 | 35% | 0.353 | S | S | . | . | trans | -87.8 | -178 | 167.9 | 70.7 | 26.8 | 0 | 0 | 0 | 112.3 | S1030 G1031 R1032 I1034 | D1028-S1030 PolarHBondContact O-N 3Å; D1028-S1030 VanDerWaalsContact OD1-CA 3.3Å; D1028-S1030 WeakPolarHBondContact OD1-CA 3.23Å; D1028-S1030 WeakPolarHBondContact OD1-CB 3.46Å; D1028-S1030 PolarHBondContact OD1-N 2.84Å; D1028-S1030 PolarHBondContact OD1-OG 2.89Å; D1028-G1031 PolarHBondContact O-N 3.18Å; D1028-G1031 VanDerWaalsContact O-N 3.1Å; D1028-G1031 PolarHBondContact OD1-N 2.89Å; D1028-R1032 PolarHBondContact N-O 2.85Å; D1028-R1032 PolarHBondContact OD1-N 2.86Å; D1028-I1034 HydrophobicContact CB-CD1 4.15Å | ||
| 1029 | K | 67.3 | Low | 79.4 | Confident | 214 Ų | 214 | 62.9 Ų | 62.9 | 93% | 0.93 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -9.9 | 179.3 | -67 | -172.9 | 177.2 | -175.2 | 0 | 114.5 | ||
| 1030 | S | 72.7 | Confident | 80.2 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 69% | 0.692 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -1.4 | 174.3 | 74.9 | 0 | 0 | 0 | 0 | 113 | D1028 R1032 | D1028-S1030 PolarHBondContact O-N 3Å; D1028-S1030 VanDerWaalsContact OD1-CA 3.3Å; D1028-S1030 WeakPolarHBondContact OD1-CA 3.23Å; D1028-S1030 WeakPolarHBondContact OD1-CB 3.46Å; D1028-S1030 PolarHBondContact OD1-N 2.84Å; D1028-S1030 PolarHBondContact OD1-OG 2.89Å; S1030-R1032 VanDerWaalsContact C-N 3.3Å |
| 1031 | G | 65.8 | Low | 80.6 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 53% | 0.526 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 82.3 | 3.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | D1028 | D1028-G1031 PolarHBondContact O-N 3.18Å; D1028-G1031 VanDerWaalsContact O-N 3.1Å; D1028-G1031 PolarHBondContact OD1-N 2.89Å |
| 1032 | R | 79.6 | Confident | 80.6 | Confident | 182 Ų | 182 | 62.9 Ų | 62.9 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 131 | 177.6 | -172.7 | 179.5 | -176 | 173.9 | 3.1 | 110.2 | G1027 D1028 S1030 | G1027-R1032 WeakPolarHBondContact CA-O 3.13Å; D1028-R1032 PolarHBondContact N-O 2.85Å; D1028-R1032 PolarHBondContact OD1-N 2.86Å; S1030-R1032 VanDerWaalsContact C-N 3.3Å |
| 1033 | F | 82.1 | Confident | 80.4 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 122.2 | 177.5 | -72.5 | -84.7 | 0 | 0 | 0 | 111.8 | Q1025 M1026 R1058 V1073 | Q1025-F1033 HydrophobicContact CB-CB 3.96Å; Q1025-F1033 HydrophobicContact CB-CD1 4.35Å; M1026-F1033 CarbonylContact O-C 3.54Å; M1026-F1033 WeakPolarHBondContact O-CA 3.35Å; F1033-R1058 HydrophobicContact CD1-CB 4.49Å; F1033-R1058 HydrophobicContact CD1-CG 3.7Å; F1033-R1058 HydrophobicContact CE1-CB 4.26Å; F1033-R1058 HydrophobicContact CE1-CG 3.94Å; F1033-R1058 HydrophobicContact CG-CG 4.15Å; F1033-V1073 HydrophobicContact CE1-CG1 4.12Å; F1033-V1073 HydrophobicContact CE1-CG2 4.31Å; F1033-V1073 HydrophobicContact CE2-CG2 4.29Å; F1033-V1073 HydrophobicContact CZ-CB 4.38Å; F1033-V1073 HydrophobicContact CZ-CG1 3.81Å; F1033-V1073 HydrophobicContact CZ-CG2 3.57Å |
| 1034 | I | 82.6 | Confident | 80.3 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 132.4 | 179.4 | -56.9 | 175.5 | 0 | 0 | 0 | 108.7 | Q1025 M1026 D1028 L1036 | Q1025-I1034 CarbonylContact C-O 3.52Å; Q1025-I1034 WeakPolarHBondContact CA-O 3.34Å; Q1025-I1034 WeakPolarHBondContact CB-O 3.14Å; M1026-I1034 PolarHBondContact N-O 2.88Å; M1026-I1034 PolarHBondContact O-N 2.86Å; D1028-I1034 HydrophobicContact CB-CD1 4.15Å; I1034-L1036 PolarHBondContact O-N 2.63Å |
| 1035 | S | 82.9 | Confident | 80.2 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 48% | 0.483 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 122.7 | 179.9 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | H1023 | H1023-S1035 PolarHBondContact NE2-OG 3.39Å |
| 1036 | L | 83.2 | Confident | 80 | Confident | 51 Ų | 51 | 71.5 Ų | 71.5 | 27% | 0.267 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -30.7 | 173.4 | -68.9 | -167.1 | 0 | 0 | 0 | 113 | L1024 M1026 I1034 V1046 F1057 | L1024-L1036 HydrophobicContact CD2-CB 4.21Å; L1024-L1036 HydrophobicContact CD2-CD1 4.4Å; L1024-L1036 HydrophobicContact CG-CB 4.49Å; L1024-L1036 PolarHBondContact O-N 2.96Å; M1026-L1036 HydrophobicContact CB-CD1 3.62Å; M1026-L1036 HydrophobicContact CB-CD2 4.25Å; M1026-L1036 HydrophobicContact CB-CG 3.77Å; M1026-L1036 HydrophobicContact CE-CD2 4.48Å; M1026-L1036 HydrophobicContact CG-CD1 4.44Å; M1026-L1036 HydrophobicContact SD-CD1 4.23Å; I1034-L1036 PolarHBondContact O-N 2.63Å; L1036-V1046 HydrophobicContact CD1-CG2 4.34Å; L1036-F1057 HydrophobicContact CD1-CD1 4.26Å; L1036-F1057 HydrophobicContact CD1-CE1 3.94Å |
| 1037 | Y | 84.6 | Confident | 79.8 | Confident | 52 Ų | 52 | 74.6 Ų | 74.6 | 20% | 0.204 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 136.9 | -176.7 | 179.3 | -100.9 | 0 | 0 | 0 | 112 | W1007 H1023 L1024 G1039 C1041 | W1007-Y1037 HydrophobicContact CH2-CD1 4.17Å; W1007-Y1037 AromaticContact CZ2-CD1 3.68Å; W1007-Y1037 HydrophobicContact CZ2-CD1 3.68Å; W1007-Y1037 HydrophobicContact CZ2-CE1 4.12Å; W1007-Y1037 HydrophobicContact CZ2-CG 4.49Å; H1023-Y1037 CarbonylContact C-O 3.55Å; H1023-Y1037 WeakPolarHBondContact CA-O 3.4Å; H1023-Y1037 PolarHBondContact CD2-O 3.16Å; L1024-Y1037 PolarHBondContact N-O 2.95Å; L1024-Y1037 PolarHBondContact O-N 3.15Å; Y1037-G1039 WeakPolarHBondContact CE1-O 3.05Å; Y1037-G1039 WeakPolarHBondContact OH-CA 3.43Å; Y1037-C1041 HydrophobicContact CE1-CB 3.91Å; Y1037-C1041 HydrophobicContact CE2-CB 4.24Å; Y1037-C1041 VanDerWaalsContact OH-CB 3.25Å; Y1037-C1041 WeakPolarHBondContact OH-CB 3.4Å; Y1037-C1041 PolarHBondContact OH-N 3.09Å; Y1037-C1041 PolarHBondContact OH-SG 2.96Å; Y1037-C1041 VanDerWaalsContact OH-SG 3.37Å |
| 1038 | K | 83.1 | Confident | 79.7 | Confident | 98 Ų | 98 | 85.2 Ų | 85.2 | 43% | 0.426 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.7 | 164.4 | -169.3 | 166.8 | -171.9 | 168.2 | 0 | 109.1 | Y1022 H1023 F1062 E1067 | Y1022-K1038 CarbonylContact O-C 3.56Å; Y1022-K1038 VanDerWaalsContact O-CA 3.26Å; Y1022-K1038 WeakPolarHBondContact O-CA 3.5Å; H1023-K1038 HydrophobicContact CB-CB 4.37Å; H1023-K1038 HydrophobicContact CB-CD 4.15Å; H1023-K1038 HydrophobicContact CB-CG 3.95Å; K1038-F1062 HydrophobicContact CD-CE1 4.31Å; K1038-F1062 HydrophobicContact CD-CZ 4.36Å; K1038-F1062 HydrophobicContact CG-CE1 4.12Å; K1038-F1062 HydrophobicContact CG-CZ 4.25Å; K1038-E1067 IonicContact NZ-OE1 3.17Å; K1038-E1067 PolarHBondContact NZ-OE1 3.06Å |
| 1039 | G | 78.8 | Confident | 80 | Confident | 8 Ų | 8 | 82.9 Ų | 82.9 | 8% | 0.082 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 141 | -168.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1022 Y1037 | Y1022-G1039 PolarHBondContact N-O 2.89Å; Y1022-G1039 PolarHBondContact O-N 2.98Å; Y1037-G1039 WeakPolarHBondContact CE1-O 3.05Å; Y1037-G1039 WeakPolarHBondContact OH-CA 3.43Å |
| 1040 | P | 77.6 | Confident | 80.5 | Confident | 83 Ų | 83 | 77.7 Ų | 77.7 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -87.5 | 0.6 | -171.1 | 34.6 | -37.4 | 0 | 0 | 0 | 115.9 | H1042 | P1040-H1042 PolarHBondContact O-CE1 3.06Å; P1040-H1042 PolarHBondContact O-ND1 3.04Å |
| 1041 | C | 78.4 | Confident | 80.8 | Confident | 65 Ų | 65 | 74.2 Ų | 74.2 | 44% | 0.439 | 37% | 0.373 | S | S | . | . | trans | -74.8 | 156 | -179.9 | -65 | 0 | 0 | 0 | 0 | 112.6 | W1007 Y1037 | W1007-C1041 VanDerWaalsContact CE2-O 3.24Å; W1007-C1041 VanDerWaalsContact CZ2-O 3.23Å; W1007-C1041 WeakPolarHBondContact CZ2-O 3.44Å; W1007-C1041 PolarHBondContact NE1-O 3.4Å; Y1037-C1041 HydrophobicContact CE1-CB 3.91Å; Y1037-C1041 HydrophobicContact CE2-CB 4.24Å; Y1037-C1041 VanDerWaalsContact OH-CB 3.25Å; Y1037-C1041 WeakPolarHBondContact OH-CB 3.4Å; Y1037-C1041 PolarHBondContact OH-N 3.09Å; Y1037-C1041 PolarHBondContact OH-SG 2.96Å; Y1037-C1041 VanDerWaalsContact OH-SG 3.37Å | ||
| 1042 | H | 78.5 | Confident | 81.3 | Confident | 32 Ų | 32 | 74.8 Ų | 74.8 | 15% | 0.148 | 37% | 0.369 | C | S | . | . | trans | -115.1 | 3.6 | -170.8 | -70 | 67.5 | 0 | 0 | 0 | 114.2 | K1006 W1007 G1010 Y1022 P1040 | K1006-H1042 CarbonylContact C-O 3.5Å; K1006-H1042 WeakPolarHBondContact CA-O 3.41Å; W1007-H1042 PolarHBondContact N-O 3.24Å; W1007-H1042 WeakPolarHBondContact O-CB 3.41Å; W1007-H1042 PolarHBondContact O-CD2 2.79Å; G1010-H1042 PolarHBondContact O-NE2 2.67Å; Y1022-H1042 AromaticContact CE2-CE1 3.79Å; Y1022-H1042 AromaticContact CE2-NE2 3.7Å; P1040-H1042 PolarHBondContact O-CE1 3.06Å; P1040-H1042 PolarHBondContact O-ND1 3.04Å | ||
| 1043 | T | 82 | Confident | 81.3 | Confident | 73 Ų | 73 | 68.1 Ų | 68.1 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 153.9 | -179.6 | 64 | 0 | 0 | 0 | 0 | 112.8 | L1005 K1006 | L1005-T1043 CarbonylContact O-C 3.59Å; L1005-T1043 VanDerWaalsContact O-CA 3.27Å; L1005-T1043 WeakPolarHBondContact O-CA 3.37Å; L1005-T1043 WeakPolarHBondContact O-CB 3.25Å; K1006-T1043 HydrophobicContact CB-CG2 4.03Å; K1006-T1043 HydrophobicContact CG-CG2 3.94Å |
| 1044 | H | 85.7 | Confident | 81.2 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 27% | 0.273 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 154.2 | 176.1 | -167.8 | 90.2 | 0 | 0 | 0 | 112.3 | L1005 W1007 L1024 | L1005-H1044 PolarHBondContact N-O 2.81Å; L1005-H1044 PolarHBondContact O-N 3.39Å; W1007-H1044 HydrophobicContact CH2-CB 3.74Å; W1007-H1044 HydrophobicContact CZ3-CB 3.81Å; L1024-H1044 HydrophobicContact CD2-CB 4.43Å |
| 1045 | K | 84.4 | Confident | 81.3 | Confident | 105 Ų | 105 | 67.1 Ų | 67.1 | 46% | 0.457 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.5 | -178.7 | -171.9 | -163.2 | 178.6 | -161.7 | 0 | 111.6 | R1004 Q1047 | R1004-K1045 HydrophobicContact CG-CB 4.33Å; R1004-K1045 HydrophobicContact CG-CG 4.46Å; K1045-Q1047 HydrophobicContact CD-CG 4.05Å; K1045-Q1047 HydrophobicContact CG-CG 4.14Å; K1045-Q1047 VanDerWaalsContact NZ-CD 3.34Å |
| 1046 | V | 84.5 | Confident | 81.5 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 10% | 0.097 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.8 | 179.3 | -164.6 | 0 | 0 | 0 | 0 | 110 | T1002 L1003 L1005 M1026 L1036 L1049 F1057 | T1002-V1046 WeakPolarHBondContact CA-O 3.46Å; L1003-V1046 HydrophobicContact CB-CB 4.49Å; L1003-V1046 PolarHBondContact N-O 2.77Å; L1003-V1046 PolarHBondContact O-N 2.7Å; L1005-V1046 HydrophobicContact CD1-CG2 4.48Å; M1026-V1046 HydrophobicContact SD-CG1 4.4Å; L1036-V1046 HydrophobicContact CD1-CG2 4.34Å; V1046-L1049 HydrophobicContact CG1-CD2 3.98Å; V1046-F1057 HydrophobicContact CG2-CE1 4.14Å; V1046-F1057 HydrophobicContact CG2-CZ 4.33Å |
| 1047 | Q | 82.9 | Confident | 81.7 | Confident | 106 Ų | 106 | 63.3 Ų | 63.3 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 165.4 | -169.7 | -55.9 | -173.4 | 82.4 | 0 | 0 | 111.5 | T1002 K1045 | T1002-Q1047 HydrophobicContact CG2-CB 4.29Å; T1002-Q1047 HydrophobicContact CG2-CG 4.14Å; K1045-Q1047 HydrophobicContact CD-CG 4.05Å; K1045-Q1047 HydrophobicContact CG-CG 4.14Å; K1045-Q1047 VanDerWaalsContact NZ-CD 3.34Å |
| 1048 | R | 81.5 | Confident | 81.9 | Confident | 230 Ų | 230 | 64 Ų | 64 | 87% | 0.868 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 63 | 45.8 | -174.8 | -60.4 | -179.4 | -73.2 | 137.3 | -4.3 | 112.9 | Q1001 | Q1001-R1048 PolarHBondContact O-N 3.08Å; Q1001-R1048 VanDerWaalsContact O-N 3.13Å |
| 1049 | L | 81.8 | Confident | 82.2 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -90.9 | 161.1 | 173.8 | -50.8 | 179.9 | 0 | 0 | 0 | 110.5 | Q1001 L1003 V1046 Y1055 T1078 | Q1001-L1049 VanDerWaalsContact CA-O 3.32Å; Q1001-L1049 WeakPolarHBondContact CA-O 3.35Å; Q1001-L1049 WeakPolarHBondContact CB-O 3.18Å; Q1001-L1049 PolarHBondContact O-N 3.34Å; L1003-L1049 HydrophobicContact CB-CD1 4.09Å; L1003-L1049 HydrophobicContact CD1-CD1 3.65Å; L1003-L1049 HydrophobicContact CG-CD1 3.52Å; V1046-L1049 HydrophobicContact CG1-CD2 3.98Å; L1049-Y1055 HydrophobicContact CB-CE2 3.85Å; L1049-Y1055 HydrophobicContact CD1-CD2 4.29Å; L1049-Y1055 HydrophobicContact CD1-CE2 4.18Å; L1049-Y1055 HydrophobicContact CD2-CD1 4.19Å; L1049-Y1055 HydrophobicContact CD2-CD2 4.33Å; L1049-Y1055 HydrophobicContact CD2-CE1 3.78Å; L1049-Y1055 HydrophobicContact CD2-CE2 3.94Å; L1049-Y1055 HydrophobicContact CD2-CG 4.45Å; L1049-Y1055 HydrophobicContact CG-CE2 4.2Å; L1049-T1078 HydrophobicContact CB-CG2 4.13Å; L1049-T1078 HydrophobicContact CD1-CG2 4.17Å |
| 1050 | N | 78.9 | Confident | 82.5 | Confident | 104 Ų | 104 | 59.5 Ų | 59.5 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -94.3 | 151.2 | 176 | -67.1 | -27.2 | 0 | 0 | 0 | 110.4 | H1000 T1053 Y1055 T1078 | H1000-N1050 CarbonylContact O-C 3.59Å; N1050-T1053 WeakPolarHBondContact CB-OG1 3.45Å; N1050-T1053 WeakPolarHBondContact O-CB 3.4Å; N1050-Y1055 PolarHBondContact N-OH 3.33Å; N1050-T1078 PolarHBondContact O-OG1 3.08Å |
| 1051 | E | 78.3 | Confident | 82.8 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 152.2 | 172.6 | 58.9 | 162.7 | -166.1 | 0 | 0 | 112.3 | H1000 T1053 P1079 S1081 K1110 | H1000-E1051 HydrophobicContact CB-CB 4.15Å; H1000-E1051 PolarHBondContact O-N 2.85Å; E1051-T1053 PolarHBondContact O-N 2.89Å; E1051-T1053 VanDerWaalsContact O-N 3.11Å; E1051-T1053 PolarHBondContact O-OG1 2.9Å; E1051-P1079 WeakPolarHBondContact CA-O 3.45Å; E1051-P1079 WeakPolarHBondContact CB-O 3.43Å; E1051-S1081 VanDerWaalsContact OE2-CB 3.31Å; E1051-S1081 WeakPolarHBondContact OE2-CB 3.41Å; E1051-S1081 PolarHBondContact OE2-N 3.12Å; E1051-S1081 PolarHBondContact OE2-OG 3.36Å; E1051-K1110 WeakPolarHBondContact OE1-CD 3.44Å; E1051-K1110 WeakPolarHBondContact OE1-CE 3.42Å; E1051-K1110 IonicContact OE1-NZ 2.84Å; E1051-K1110 PolarHBondContact OE1-NZ 2.83Å |
| 1052 | S | 76 | Confident | 82.8 | Confident | 62 Ų | 62 | 54.1 Ų | 54.1 | 43% | 0.434 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 26.2 | 178.3 | -160.7 | 0 | 0 | 0 | 0 | 115.3 | T1078 P1079 | S1052-T1078 WeakPolarHBondContact CA-O 3.12Å; S1052-T1078 PolarHBondContact N-O 3.4Å; S1052-T1078 VanDerWaalsContact N-O 3.08Å; S1052-T1078 PolarHBondContact N-OG1 3.39Å; S1052-T1078 VanDerWaalsContact N-OG1 3.16Å; S1052-P1079 PolarHBondContact N-O 3.03Å |
| 1053 | T | 78.5 | Confident | 82.7 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 26% | 0.264 | 27% | 0.274 | S | S | . | . | trans | -119 | 138.3 | -171.3 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | N1050 E1051 Y1055 T1077 T1078 | N1050-T1053 WeakPolarHBondContact CB-OG1 3.45Å; N1050-T1053 WeakPolarHBondContact O-CB 3.4Å; E1051-T1053 PolarHBondContact O-N 2.89Å; E1051-T1053 VanDerWaalsContact O-N 3.11Å; E1051-T1053 PolarHBondContact O-OG1 2.9Å; T1053-Y1055 HydrophobicContact CG2-CD2 4.5Å; T1053-Y1055 HydrophobicContact CG2-CE1 4.45Å; T1053-Y1055 HydrophobicContact CG2-CE2 3.71Å; T1053-Y1055 WeakPolarHBondContact O-CE2 3.08Å; T1053-T1077 WeakPolarHBondContact O-CA 3.43Å; T1053-T1078 PolarHBondContact N-OG1 2.88Å; T1053-T1078 PolarHBondContact O-N 3.13Å; T1053-T1078 VanDerWaalsContact O-N 3.17Å; T1053-T1078 PolarHBondContact O-OG1 3.31Å | ||
| 1054 | S | 81.6 | Confident | 82 | Confident | 72 Ų | 72 | 59 Ų | 59 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 145.1 | -179.1 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | F1076 T1077 | S1054-F1076 CarbonylContact C-O 3.58Å; S1054-F1076 WeakPolarHBondContact CA-O 3.22Å; S1054-T1077 WeakPolarHBondContact OG-CG2 3.39Å; S1054-T1077 PolarHBondContact OG-OG1 3.22Å |
| 1055 | Y | 83.3 | Confident | 80.9 | Confident | 43 Ų | 43 | 57.4 Ų | 57.4 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 144.7 | -177 | -61.2 | -91.3 | 0 | 0 | 0 | 111.1 | L1049 N1050 T1053 T1075 F1076 | L1049-Y1055 HydrophobicContact CB-CE2 3.85Å; L1049-Y1055 HydrophobicContact CD1-CD2 4.29Å; L1049-Y1055 HydrophobicContact CD1-CE2 4.18Å; L1049-Y1055 HydrophobicContact CD2-CD1 4.19Å; L1049-Y1055 HydrophobicContact CD2-CD2 4.33Å; L1049-Y1055 HydrophobicContact CD2-CE1 3.78Å; L1049-Y1055 HydrophobicContact CD2-CE2 3.94Å; L1049-Y1055 HydrophobicContact CD2-CG 4.45Å; L1049-Y1055 HydrophobicContact CG-CE2 4.2Å; N1050-Y1055 PolarHBondContact N-OH 3.33Å; T1053-Y1055 HydrophobicContact CG2-CD2 4.5Å; T1053-Y1055 HydrophobicContact CG2-CE1 4.45Å; T1053-Y1055 HydrophobicContact CG2-CE2 3.71Å; T1053-Y1055 WeakPolarHBondContact O-CE2 3.08Å; Y1055-T1075 WeakPolarHBondContact O-CA 3.15Å; Y1055-F1076 PolarHBondContact N-O 2.75Å; Y1055-F1076 PolarHBondContact O-N 3.49Å |
| 1056 | T | 87.1 | Confident | 80 | Confident | 41 Ų | 41 | 53.9 Ų | 53.9 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.8 | -171.5 | 58 | 0 | 0 | 0 | 0 | 113.8 | M1026 G1027 V1073 Y1074 T1075 | M1026-T1056 CarbonylContact C-O 3.58Å; M1026-T1056 VanDerWaalsContact CA-O 3.28Å; M1026-T1056 WeakPolarHBondContact CA-O 3.49Å; M1026-T1056 VanDerWaalsContact CG-O 3.3Å; M1026-T1056 WeakPolarHBondContact CG-O 3.32Å; G1027-T1056 WeakPolarHBondContact CA-OG1 3.41Å; G1027-T1056 PolarHBondContact N-O 2.8Å; T1056-V1073 HydrophobicContact CG2-CG1 4.39Å; T1056-Y1074 CarbonylContact C-O 3.59Å; T1056-Y1074 WeakPolarHBondContact CA-O 3.17Å; T1056-T1075 HydrophobicContact CG2-CG2 4.14Å |
| 1057 | F | 88.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 152.6 | -172.3 | -56.3 | -91 | 0 | 0 | 0 | 113.5 | L993 L1005 Q1025 M1026 L1036 V1046 V1073 Y1074 F1076 | L993-F1057 HydrophobicContact CD2-CB 3.57Å; L993-F1057 HydrophobicContact CD2-CG 4.49Å; L1005-F1057 HydrophobicContact CD1-CD1 3.61Å; L1005-F1057 HydrophobicContact CD1-CD2 4.19Å; L1005-F1057 HydrophobicContact CD1-CE1 3.69Å; L1005-F1057 HydrophobicContact CD1-CE2 4.27Å; L1005-F1057 HydrophobicContact CD1-CG 3.88Å; L1005-F1057 HydrophobicContact CD1-CZ 4.04Å; Q1025-F1057 CarbonylContact O-C 3.52Å; Q1025-F1057 VanDerWaalsContact O-CA 3.25Å; Q1025-F1057 WeakPolarHBondContact O-CA 3.48Å; M1026-F1057 HydrophobicContact CB-CD1 3.67Å; M1026-F1057 HydrophobicContact CB-CE1 3.69Å; M1026-F1057 HydrophobicContact CG-CD1 3.78Å; M1026-F1057 HydrophobicContact CG-CE1 3.41Å; M1026-F1057 VanDerWaalsContact CG-CE1 3.41Å; M1026-F1057 HydrophobicContact CG-CZ 3.93Å; M1026-F1057 HydrophobicContact SD-CE1 3.61Å; M1026-F1057 HydrophobicContact SD-CZ 3.89Å; L1036-F1057 HydrophobicContact CD1-CD1 4.26Å; L1036-F1057 HydrophobicContact CD1-CE1 3.94Å; V1046-F1057 HydrophobicContact CG2-CE1 4.14Å; V1046-F1057 HydrophobicContact CG2-CZ 4.33Å; F1057-V1073 CarbonylContact O-C 3.57Å; F1057-V1073 WeakPolarHBondContact O-CA 3.38Å; F1057-Y1074 PolarHBondContact N-O 3.44Å; F1057-Y1074 PolarHBondContact O-N 3.01Å; F1057-F1076 AromaticContact CD2-CD2 3.78Å; F1057-F1076 HydrophobicContact CD2-CD2 3.78Å; F1057-F1076 HydrophobicContact CD2-CE2 4.16Å; F1057-F1076 AromaticContact CE2-CD2 3.88Å; F1057-F1076 HydrophobicContact CE2-CD2 3.88Å |
| 1058 | R | 88.1 | Confident | 79.1 | Confident | 67 Ų | 67 | 53.6 Ų | 53.6 | 25% | 0.253 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 159.8 | 172.3 | 71.6 | 179.6 | -174.2 | 168.8 | 1.6 | 112.6 | Q1025 F1033 F1070 | Q1025-R1058 HydrophobicContact CB-CG 4.16Å; Q1025-R1058 PolarHBondContact N-O 2.93Å; Q1025-R1058 PolarHBondContact O-N 3.26Å; Q1025-R1058 VanDerWaalsContact OE1-CZ 3.31Å; F1033-R1058 HydrophobicContact CD1-CB 4.49Å; F1033-R1058 HydrophobicContact CD1-CG 3.7Å; F1033-R1058 HydrophobicContact CE1-CB 4.26Å; F1033-R1058 HydrophobicContact CE1-CG 3.94Å; F1033-R1058 HydrophobicContact CG-CG 4.15Å; R1058-F1070 HydrophobicContact CG-CD1 4.21Å |
| 1059 | I | 88.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 144 | -175 | -171.8 | 162.1 | 0 | 0 | 0 | 114 | P991 L993 W1007 H1023 L1024 S1071 | P991-I1059 HydrophobicContact CG-CD1 3.89Å; P991-I1059 HydrophobicContact CG-CG1 3.97Å; P991-I1059 HydrophobicContact CG-CG2 3.94Å; P991-I1059 WeakPolarHBondContact O-CG2 3.22Å; L993-I1059 HydrophobicContact CB-CG2 4.46Å; W1007-I1059 HydrophobicContact CB-CD1 3.94Å; W1007-I1059 HydrophobicContact CD2-CD1 3.56Å; W1007-I1059 HydrophobicContact CE3-CD1 4.34Å; W1007-I1059 HydrophobicContact CG-CD1 3.34Å; H1023-I1059 VanDerWaalsContact O-CA 3.26Å; H1023-I1059 WeakPolarHBondContact O-CA 3.43Å; L1024-I1059 HydrophobicContact CB-CD1 4.28Å; L1024-I1059 HydrophobicContact CD1-CB 4.2Å; L1024-I1059 HydrophobicContact CD1-CD1 4.37Å; I1059-S1071 PolarHBondContact N-OG 3.3Å; I1059-S1071 VanDerWaalsContact O-CB 3.24Å; I1059-S1071 WeakPolarHBondContact O-CB 3.43Å; I1059-S1071 PolarHBondContact O-N 2.84Å; I1059-S1071 PolarHBondContact O-OG 2.85Å |
| 1060 | Q | 86.5 | Confident | 78.9 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 171.7 | 170.6 | 73.8 | 175.3 | 23.6 | 0 | 0 | 113.3 | Y1022 H1023 E1067 G1068 F1070 | Y1022-Q1060 CarbonylContact C-O 3.54Å; Y1022-Q1060 VanDerWaalsContact CA-O 3.31Å; Y1022-Q1060 WeakPolarHBondContact CA-O 3.44Å; H1023-Q1060 HydrophobicContact CB-CG 3.96Å; H1023-Q1060 PolarHBondContact N-O 2.86Å; H1023-Q1060 PolarHBondContact O-N 2.7Å; Q1060-E1067 PolarHBondContact NE2-OE2 3Å; Q1060-G1068 PolarHBondContact OE1-O 3.32Å; Q1060-F1070 HydrophobicContact CB-CB 4.46Å; Q1060-F1070 HydrophobicContact CB-CD1 3.68Å; Q1060-F1070 HydrophobicContact CB-CE1 3.98Å; Q1060-F1070 HydrophobicContact CB-CG 4.01Å; Q1060-F1070 HydrophobicContact CG-CD1 3.96Å; Q1060-F1070 HydrophobicContact CG-CE1 3.71Å; Q1060-F1070 HydrophobicContact CG-CG 4.46Å; Q1060-F1070 HydrophobicContact CG-CZ 4.01Å; Q1060-F1070 VanDerWaalsContact OE1-CZ 3.24Å |
| 1061 | A | 82.7 | Confident | 79 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 155 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P988 Q1021 Y1022 G1068 | P988-A1061 HydrophobicContact CB-CB 4.36Å; P988-A1061 HydrophobicContact CG-CB 4.07Å; Q1021-A1061 CarbonylContact O-C 3.43Å; Q1021-A1061 WeakPolarHBondContact O-CA 3.31Å; Y1022-A1061 HydrophobicContact CD1-CB 3.85Å; Y1022-A1061 HydrophobicContact CE1-CB 3.88Å; A1061-G1068 VanDerWaalsContact O-CA 3.29Å; A1061-G1068 WeakPolarHBondContact O-CA 3.48Å; A1061-G1068 PolarHBondContact O-N 2.86Å |
| 1062 | F | 79.1 | Confident | 79.1 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 152.5 | -179.9 | 60.9 | -80.6 | 0 | 0 | 0 | 114.3 | P1020 Q1021 K1038 G1066 E1067 | P1020-F1062 WeakPolarHBondContact CA-O 3.26Å; Q1021-F1062 HydrophobicContact CB-CD1 3.97Å; Q1021-F1062 HydrophobicContact CB-CD2 4.17Å; Q1021-F1062 HydrophobicContact CB-CE1 3.43Å; Q1021-F1062 VanDerWaalsContact CB-CE1 3.43Å; Q1021-F1062 HydrophobicContact CB-CE2 3.69Å; Q1021-F1062 HydrophobicContact CB-CG 4.3Å; Q1021-F1062 HydrophobicContact CB-CZ 3.28Å; Q1021-F1062 HydrophobicContact CG-CE2 4.25Å; Q1021-F1062 HydrophobicContact CG-CZ 4.17Å; Q1021-F1062 PolarHBondContact N-O 2.8Å; Q1021-F1062 VanDerWaalsContact N-O 3.1Å; Q1021-F1062 WeakPolarHBondContact O-CD1 3.35Å; Q1021-F1062 PolarHBondContact O-N 2.97Å; K1038-F1062 HydrophobicContact CD-CE1 4.31Å; K1038-F1062 HydrophobicContact CD-CZ 4.36Å; K1038-F1062 HydrophobicContact CG-CE1 4.12Å; K1038-F1062 HydrophobicContact CG-CZ 4.25Å; F1062-G1066 WeakPolarHBondContact CA-O 3.45Å; F1062-E1067 HydrophobicContact CB-CB 4.16Å; F1062-E1067 HydrophobicContact CB-CG 3.92Å; F1062-E1067 HydrophobicContact CG-CG 4.38Å |
| 1063 | N | 75.8 | Confident | 79.5 | Confident | 54 Ų | 54 | 49.1 Ų | 49.1 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | -169.3 | -179.9 | 75 | -3 | 0 | 0 | 0 | 112.1 | L986 P988 A1065 G1066 | L986-N1063 PolarHBondContact O-ND2 2.85Å; L986-N1063 VanDerWaalsContact O-ND2 3.12Å; P988-N1063 HydrophobicContact CG-CB 4.35Å; N1063-A1065 PolarHBondContact O-N 3.21Å; N1063-A1065 VanDerWaalsContact O-N 3.16Å; N1063-A1065 WeakPolarHBondContact OD1-CB 3.34Å; N1063-A1065 PolarHBondContact OD1-N 2.98Å; N1063-G1066 PolarHBondContact N-O 2.76Å; N1063-G1066 VanDerWaalsContact N-O 3.09Å; N1063-G1066 PolarHBondContact O-N 2.9Å |
| 1064 | E | 67.4 | Low | 79.7 | Confident | 152 Ų | 152 | 49.6 Ų | 49.6 | 71% | 0.71 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -16.4 | 179 | -60.9 | -160.9 | 142 | 0 | 0 | 115.6 | ||
| 1065 | A | 62.4 | Low | 79.9 | Confident | 26 Ų | 26 | 50 Ų | 50 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -6.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P985 P987 N1063 | P985-A1065 VanDerWaalsContact O-CB 3.3Å; P985-A1065 WeakPolarHBondContact O-CB 3.31Å; P987-A1065 HydrophobicContact CG-CB 4.14Å; N1063-A1065 PolarHBondContact O-N 3.21Å; N1063-A1065 VanDerWaalsContact O-N 3.16Å; N1063-A1065 WeakPolarHBondContact OD1-CB 3.34Å; N1063-A1065 PolarHBondContact OD1-N 2.98Å |
| 1066 | G | 66.6 | Low | 79.9 | Confident | 32 Ų | 32 | 50 Ų | 50 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.8 | -173.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1062 N1063 | F1062-G1066 WeakPolarHBondContact CA-O 3.45Å; N1063-G1066 PolarHBondContact N-O 2.76Å; N1063-G1066 VanDerWaalsContact N-O 3.09Å; N1063-G1066 PolarHBondContact O-N 2.9Å |
| 1067 | E | 74.5 | Confident | 79.5 | Confident | 112 Ų | 112 | 51.5 Ų | 51.5 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 128.8 | 169.7 | -61.7 | -153 | 147.6 | 0 | 0 | 111.1 | K1038 Q1060 F1062 | K1038-E1067 IonicContact NZ-OE1 3.17Å; K1038-E1067 PolarHBondContact NZ-OE1 3.06Å; Q1060-E1067 PolarHBondContact NE2-OE2 3Å; F1062-E1067 HydrophobicContact CB-CB 4.16Å; F1062-E1067 HydrophobicContact CB-CG 3.92Å; F1062-E1067 HydrophobicContact CG-CG 4.38Å |
| 1068 | G | 73.4 | Confident | 79.1 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 164.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P988 Q1060 A1061 | P988-G1068 WeakPolarHBondContact O-CA 3.36Å; Q1060-G1068 PolarHBondContact OE1-O 3.32Å; A1061-G1068 VanDerWaalsContact O-CA 3.29Å; A1061-G1068 WeakPolarHBondContact O-CA 3.48Å; A1061-G1068 PolarHBondContact O-N 2.86Å |
| 1069 | P | 77.5 | Confident | 78.5 | Confident | 85 Ų | 85 | 51.2 Ų | 51.2 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 154.6 | -170.8 | 26.8 | -33.8 | 0 | 0 | 0 | 113.9 | P990 | P990-P1069 VanDerWaalsContact CB-O 3.31Å; P990-P1069 WeakPolarHBondContact CB-O 3.49Å; P990-P1069 WeakPolarHBondContact CD-O 3.39Å; P990-P1069 WeakPolarHBondContact CG-O 3.41Å |
| 1070 | F | 80.8 | Confident | 77.9 | Confident | 72 Ų | 72 | 56.2 Ų | 56.2 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -67 | 146.4 | 171.5 | -77.1 | -77.9 | 0 | 0 | 0 | 113.2 | Q1025 R1058 Q1060 | Q1025-F1070 HydrophobicContact CG-CE1 4.37Å; R1058-F1070 HydrophobicContact CG-CD1 4.21Å; Q1060-F1070 HydrophobicContact CB-CB 4.46Å; Q1060-F1070 HydrophobicContact CB-CD1 3.68Å; Q1060-F1070 HydrophobicContact CB-CE1 3.98Å; Q1060-F1070 HydrophobicContact CB-CG 4.01Å; Q1060-F1070 HydrophobicContact CG-CD1 3.96Å; Q1060-F1070 HydrophobicContact CG-CE1 3.71Å; Q1060-F1070 HydrophobicContact CG-CG 4.46Å; Q1060-F1070 HydrophobicContact CG-CZ 4.01Å; Q1060-F1070 VanDerWaalsContact OE1-CZ 3.24Å |
| 1071 | S | 81.9 | Confident | 77.6 | Confident | 16 Ų | 16 | 57 Ų | 57 | 11% | 0.112 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 162.4 | 168 | 77.5 | 0 | 0 | 0 | 0 | 112.2 | I1059 | I1059-S1071 PolarHBondContact N-OG 3.3Å; I1059-S1071 VanDerWaalsContact O-CB 3.24Å; I1059-S1071 WeakPolarHBondContact O-CB 3.43Å; I1059-S1071 PolarHBondContact O-N 2.84Å; I1059-S1071 PolarHBondContact O-OG 2.85Å |
| 1072 | S | 79.4 | Confident | 77.2 | Confident | 89 Ų | 89 | 61 Ų | 61 | 62% | 0.622 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 164.9 | 156.9 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | Y1074 | S1072-Y1074 WeakPolarHBondContact O-CD2 3.49Å; S1072-Y1074 WeakPolarHBondContact O-CE2 3.47Å |
| 1073 | V | 84.9 | Confident | 77.1 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 47% | 0.473 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 132.3 | -175.8 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | F1033 T1056 F1057 | F1033-V1073 HydrophobicContact CE1-CG1 4.12Å; F1033-V1073 HydrophobicContact CE1-CG2 4.31Å; F1033-V1073 HydrophobicContact CE2-CG2 4.29Å; F1033-V1073 HydrophobicContact CZ-CB 4.38Å; F1033-V1073 HydrophobicContact CZ-CG1 3.81Å; F1033-V1073 HydrophobicContact CZ-CG2 3.57Å; T1056-V1073 HydrophobicContact CG2-CG1 4.39Å; F1057-V1073 CarbonylContact O-C 3.57Å; F1057-V1073 WeakPolarHBondContact O-CA 3.38Å |
| 1074 | Y | 83.6 | Confident | 77.1 | Confident | 52 Ų | 52 | 60.3 Ų | 60.3 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 146.7 | 178.5 | -64.2 | -102.4 | 0 | 0 | 0 | 110.6 | L993 T1056 F1057 S1072 | L993-Y1074 HydrophobicContact CB-CD1 4.17Å; L993-Y1074 HydrophobicContact CB-CD2 3.82Å; L993-Y1074 HydrophobicContact CB-CE1 4.11Å; L993-Y1074 HydrophobicContact CB-CE2 3.77Å; L993-Y1074 HydrophobicContact CB-CG 4.02Å; L993-Y1074 HydrophobicContact CD2-CD2 3.99Å; L993-Y1074 HydrophobicContact CD2-CG 4.18Å; L993-Y1074 HydrophobicContact CG-CD2 4.45Å; L993-Y1074 HydrophobicContact CG-CG 4.46Å; L993-Y1074 PolarHBondContact N-OH 3.11Å; L993-Y1074 VanDerWaalsContact O-CD1 3.23Å; L993-Y1074 WeakPolarHBondContact O-CD1 3.35Å; L993-Y1074 WeakPolarHBondContact O-CE1 3.36Å; T1056-Y1074 CarbonylContact C-O 3.59Å; T1056-Y1074 WeakPolarHBondContact CA-O 3.17Å; F1057-Y1074 PolarHBondContact N-O 3.44Å; F1057-Y1074 PolarHBondContact O-N 3.01Å; S1072-Y1074 WeakPolarHBondContact O-CD2 3.49Å; S1072-Y1074 WeakPolarHBondContact O-CE2 3.47Å |
| 1075 | T | 84.8 | Confident | 77.5 | Confident | 81 Ų | 81 | 56.8 Ų | 56.8 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 135.8 | -176.7 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | Y1055 T1056 | Y1055-T1075 WeakPolarHBondContact O-CA 3.15Å; T1056-T1075 HydrophobicContact CG2-CG2 4.14Å |
| 1076 | F | 83.6 | Confident | 78.1 | Confident | 42 Ų | 42 | 56.1 Ų | 56.1 | 18% | 0.184 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 146.6 | 179.4 | -55.7 | -67.6 | 0 | 0 | 0 | 112 | C995 L1003 L1005 S1054 Y1055 F1057 | C995-F1076 HydrophobicContact CB-CD1 3.55Å; C995-F1076 HydrophobicContact CB-CD2 4.17Å; C995-F1076 HydrophobicContact CB-CE1 3.49Å; C995-F1076 VanDerWaalsContact CB-CE1 3.49Å; C995-F1076 HydrophobicContact CB-CE2 4.12Å; C995-F1076 HydrophobicContact CB-CG 3.91Å; C995-F1076 HydrophobicContact CB-CZ 3.8Å; L1003-F1076 HydrophobicContact CD1-CB 3.86Å; L1003-F1076 HydrophobicContact CD2-CB 4.33Å; L1005-F1076 HydrophobicContact CD2-CD2 3.74Å; L1005-F1076 HydrophobicContact CD2-CE2 3.55Å; L1005-F1076 HydrophobicContact CD2-CZ 4.33Å; S1054-F1076 CarbonylContact C-O 3.58Å; S1054-F1076 WeakPolarHBondContact CA-O 3.22Å; Y1055-F1076 PolarHBondContact N-O 2.75Å; Y1055-F1076 PolarHBondContact O-N 3.49Å; F1057-F1076 AromaticContact CD2-CD2 3.78Å; F1057-F1076 HydrophobicContact CD2-CD2 3.78Å; F1057-F1076 HydrophobicContact CD2-CE2 4.16Å; F1057-F1076 AromaticContact CE2-CD2 3.88Å; F1057-F1076 HydrophobicContact CE2-CD2 3.88Å |
| 1077 | T | 79.3 | Confident | 78.5 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 146.7 | -171.2 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | T1053 S1054 | T1053-T1077 WeakPolarHBondContact O-CA 3.43Å; S1054-T1077 WeakPolarHBondContact OG-CG2 3.39Å; S1054-T1077 PolarHBondContact OG-OG1 3.22Å |
| 1078 | T | 80.8 | Confident | 78.6 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | trans | -97 | 151 | -179.6 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | S999 L1049 N1050 S1052 T1053 | S999-T1078 WeakPolarHBondContact O-CG2 3.29Å; L1049-T1078 HydrophobicContact CB-CG2 4.13Å; L1049-T1078 HydrophobicContact CD1-CG2 4.17Å; N1050-T1078 PolarHBondContact O-OG1 3.08Å; S1052-T1078 WeakPolarHBondContact CA-O 3.12Å; S1052-T1078 PolarHBondContact N-O 3.4Å; S1052-T1078 VanDerWaalsContact N-O 3.08Å; S1052-T1078 PolarHBondContact N-OG1 3.39Å; S1052-T1078 VanDerWaalsContact N-OG1 3.16Å; T1053-T1078 PolarHBondContact N-OG1 2.88Å; T1053-T1078 PolarHBondContact O-N 3.13Å; T1053-T1078 VanDerWaalsContact O-N 3.17Å; T1053-T1078 PolarHBondContact O-OG1 3.31Å | ||
| 1079 | P | 75.4 | Confident | 79 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | trans | -79.8 | 175.9 | 177.5 | 31.8 | -36.9 | 0 | 0 | 0 | 114.9 | F998 H1000 E1051 S1052 | F998-P1079 HydrophobicContact CD2-CG 4.23Å; F998-P1079 HydrophobicContact CE2-CG 4.42Å; H1000-P1079 HydrophobicContact CB-CG 4.33Å; H1000-P1079 WeakPolarHBondContact CB-O 3.16Å; E1051-P1079 WeakPolarHBondContact CA-O 3.45Å; E1051-P1079 WeakPolarHBondContact CB-O 3.43Å; S1052-P1079 PolarHBondContact N-O 3.03Å | ||
| 1080 | R | 76.6 | Confident | 79 | Confident | 105 Ų | 105 | 60.4 Ų | 60.4 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | trans | -95.3 | 176.2 | -179.8 | -66.9 | -175.9 | 177.7 | -151.8 | 5.8 | 114.1 | D1112 | R1080-D1112 IonicContact NH1-OD1 2.9Å; R1080-D1112 IonicContact NH1-OD2 2.65Å; R1080-D1112 PolarHBondContact NH1-OD2 3.1Å | ||
| 1081 | S | 78.3 | Confident | 78.9 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | trans | -122.7 | 150.3 | -173.5 | 54.2 | 0 | 0 | 0 | 0 | 116.7 | E1051 R1157 L1165 | E1051-S1081 VanDerWaalsContact OE2-CB 3.31Å; E1051-S1081 WeakPolarHBondContact OE2-CB 3.41Å; E1051-S1081 PolarHBondContact OE2-N 3.12Å; E1051-S1081 PolarHBondContact OE2-OG 3.36Å; S1081-R1157 PolarHBondContact O-NH1 2.88Å; S1081-L1165 WeakPolarHBondContact O-CD1 3.33Å | ||
| 1082 | P | 74.8 | Confident | 78.4 | Confident | 85 Ų | 85 | 63.6 Ų | 63.6 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -87.4 | 168.3 | -179.7 | 36 | -37.2 | 0 | 0 | 0 | 115.1 | M1109 L1165 | P1082-M1109 WeakPolarHBondContact O-CE 3.29Å; P1082-L1165 HydrophobicContact CB-CB 4.13Å |
| 1083 | P | 77.6 | Confident | 77.9 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 7% | 0.065 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 164.4 | -173.9 | 37.3 | -38.4 | 0 | 0 | 0 | 115.9 | M1109 R1157 L1165 | P1083-M1109 HydrophobicContact CB-CE 4.47Å; P1083-M1109 HydrophobicContact CB-CG 4.33Å; P1083-R1157 HydrophobicContact CB-CB 4.14Å; P1083-R1157 HydrophobicContact CG-CB 3.88Å; P1083-L1165 WeakPolarHBondContact CD-O 3.49Å; P1083-L1165 VanDerWaalsContact CG-O 3.25Å; P1083-L1165 WeakPolarHBondContact CG-O 3.22Å |
| 1084 | P | 75.4 | Confident | 76.9 | Confident | 64 Ų | 64 | 65.3 Ų | 65.3 | 42% | 0.416 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 166 | -179.5 | 34.3 | -35.6 | 0 | 0 | 0 | 114.9 | L1106 | P1084-L1106 HydrophobicContact CG-CD1 4.16Å; P1084-L1106 WeakPolarHBondContact O-CD1 3.25Å |
| 1085 | P | 75 | Confident | 75.8 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 51% | 0.513 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -68 | 158.4 | 177.3 | 22.9 | -31.4 | 0 | 0 | 0 | 115.5 | P1168 | P1085-P1168 HydrophobicContact CB-CG 4.02Å; P1085-P1168 HydrophobicContact CG-CG 4.34Å |
| 1086 | V | 76.3 | Confident | 74.8 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -101.9 | 159.3 | 177.3 | -169 | 0 | 0 | 0 | 0 | 111 | L1106 Y1116 V1153 A1155 S1170 | V1086-L1106 HydrophobicContact CG2-CD1 4Å; V1086-L1106 HydrophobicContact CG2-CG 4.4Å; V1086-Y1116 HydrophobicContact CG2-CD1 4.26Å; V1086-Y1116 HydrophobicContact CG2-CE1 4.17Å; V1086-V1153 HydrophobicContact CB-CG1 4.3Å; V1086-V1153 HydrophobicContact CG1-CG1 3.94Å; V1086-A1155 HydrophobicContact CG2-CB 3.44Å; V1086-A1155 VanDerWaalsContact CG2-CB 3.44Å; V1086-S1170 WeakPolarHBondContact O-CB 3.48Å |
| 1087 | K | 74.9 | Confident | 74.1 | Confident | 131 Ų | 131 | 73 Ų | 73 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 170.9 | 171.6 | -56.9 | -174.7 | -156.7 | 148.6 | 0 | 111.9 | E1104 S1170 | K1087-E1104 WeakPolarHBondContact CD-OE2 3.39Å; K1087-E1104 WeakPolarHBondContact CE-OE2 3.29Å; K1087-E1104 IonicContact NZ-OE1 2.77Å; K1087-E1104 PolarHBondContact NZ-OE1 2.93Å; K1087-E1104 IonicContact NZ-OE2 2.74Å; K1087-E1104 PolarHBondContact NZ-OE2 2.94Å; K1087-S1170 WeakPolarHBondContact O-CB 3.18Å; K1087-S1170 PolarHBondContact O-OG 3.21Å |
| 1088 | A | 77.1 | Confident | 73.7 | Confident | 48 Ų | 48 | 69.8 Ų | 69.8 | 40% | 0.397 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 145.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | P1171 | A1088-P1171 HydrophobicContact CB-CB 4.08Å; A1088-P1171 HydrophobicContact CB-CG 4.41Å |
| 1089 | P | 80.8 | Confident | 73.7 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 153.3 | 179.1 | 32.5 | -35 | 0 | 0 | 0 | 112.7 | V1101 T1102 W1103 F1151 V1173 | P1089-V1101 HydrophobicContact CB-CG1 3.9Å; P1089-V1101 HydrophobicContact CG-CG1 4.44Å; P1089-T1102 CarbonylContact C-O 3.54Å; P1089-T1102 WeakPolarHBondContact CA-O 3.33Å; P1089-T1102 WeakPolarHBondContact CB-O 3.24Å; P1089-W1103 HydrophobicContact CB-CB 4.32Å; P1089-W1103 HydrophobicContact CB-CE3 4.49Å; P1089-F1151 HydrophobicContact CG-CB 4.34Å; P1089-V1173 VanDerWaalsContact O-CG2 3.23Å; P1089-V1173 WeakPolarHBondContact O-CG2 3.44Å |
| 1090 | K | 76.7 | Confident | 73.9 | Confident | 141 Ų | 141 | 70 Ų | 70 | 61% | 0.613 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 159.2 | 165.9 | -65.8 | -179 | 174.7 | -175.2 | 0 | 110.6 | V1101 T1102 | K1090-V1101 CarbonylContact O-C 3.44Å; K1090-V1101 VanDerWaalsContact O-CA 3.29Å; K1090-V1101 WeakPolarHBondContact O-CA 3.31Å; K1090-V1101 WeakPolarHBondContact O-CG1 3.27Å; K1090-T1102 PolarHBondContact N-O 2.82Å; K1090-T1102 PolarHBondContact O-N 3.15Å |
| 1091 | V | 79.1 | Confident | 74.3 | Confident | 31 Ų | 31 | 65 Ų | 65 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 127.8 | 174.2 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | C1099 E1100 V1101 F1151 V1173 L1175 | V1091-C1099 HydrophobicContact CG1-CB 4.07Å; V1091-E1100 CarbonylContact C-O 3.42Å; V1091-E1100 WeakPolarHBondContact CA-O 3.12Å; V1091-V1101 HydrophobicContact CG1-CG2 4.39Å; V1091-V1101 HydrophobicContact CG2-CG1 4.29Å; V1091-V1101 HydrophobicContact CG2-CG2 4.21Å; V1091-F1151 HydrophobicContact CG1-CE2 4.39Å; V1091-F1151 HydrophobicContact CG2-CD2 3.74Å; V1091-F1151 HydrophobicContact CG2-CE2 4.24Å; V1091-F1151 HydrophobicContact CG2-CG 4.47Å; V1091-V1173 HydrophobicContact CB-CG1 4.48Å; V1091-V1173 HydrophobicContact CG2-CG1 3.84Å; V1091-L1175 HydrophobicContact CG1-CD2 4.38Å |
| 1092 | E | 72.2 | Confident | 74.2 | Confident | 123 Ų | 123 | 65.8 Ų | 65.8 | 58% | 0.575 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.2 | 177.7 | -68.1 | 179.9 | -166.5 | 0 | 0 | 109.6 | C1099 E1100 | E1092-C1099 CarbonylContact O-C 3.55Å; E1092-C1099 VanDerWaalsContact O-CA 3.29Å; E1092-C1099 WeakPolarHBondContact O-CA 3.48Å; E1092-C1099 VanDerWaalsContact O-CB 3.32Å; E1092-C1099 WeakPolarHBondContact O-CB 3.42Å; E1092-E1100 PolarHBondContact N-O 2.78Å; E1092-E1100 PolarHBondContact O-N 3.42Å |
| 1093 | R | 68.1 | Low | 74.7 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 133.8 | -175.8 | -167.3 | -179.6 | -155.9 | 128.2 | 15 | 110.2 | D1095 E1096 S1176 | R1093-D1095 VanDerWaalsContact CG-O 3.29Å; R1093-D1095 WeakPolarHBondContact CG-O 3.34Å; R1093-D1095 PolarHBondContact NE-O 2.85Å; R1093-E1096 PolarHBondContact NH2-O 2.77Å; R1093-S1176 PolarHBondContact NH1-O 3.36Å |
| 1094 | L | 64.1 | Low | 75 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 52% | 0.518 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -55.7 | 179.1 | -71 | 158.9 | 0 | 0 | 0 | 110 | S1098 E1100 H1139 | L1094-S1098 WeakPolarHBondContact CB-OG 3.41Å; L1094-S1098 PolarHBondContact N-O 2.95Å; L1094-E1100 HydrophobicContact CD1-CB 4.01Å; L1094-H1139 VanDerWaalsContact CD1-CE1 3.46Å; L1094-H1139 WeakPolarHBondContact CD1-CE1 3.3Å; L1094-H1139 VanDerWaalsContact CD1-ND1 3.31Å; L1094-H1139 WeakPolarHBondContact CD1-ND1 3.48Å |
| 1095 | D | 61.3 | Low | 75.2 | Confident | 105 Ų | 105 | 66.9 Ų | 66.9 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | -177.4 | 178.3 | -47.4 | -70.6 | 0 | 0 | 0 | 112.3 | R1093 N1097 S1098 | R1093-D1095 VanDerWaalsContact CG-O 3.29Å; R1093-D1095 WeakPolarHBondContact CG-O 3.34Å; R1093-D1095 PolarHBondContact NE-O 2.85Å; D1095-N1097 PolarHBondContact O-N 3.48Å; D1095-S1098 WeakPolarHBondContact CB-OG 3.45Å; D1095-S1098 VanDerWaalsContact CG-OG 3.29Å; D1095-S1098 PolarHBondContact N-O 2.83Å; D1095-S1098 PolarHBondContact N-OG 2.87Å; D1095-S1098 WeakPolarHBondContact OD2-CB 3.4Å; D1095-S1098 PolarHBondContact OD2-OG 2.76Å |
| 1096 | E | 62.4 | Low | 75.4 | Confident | 151 Ų | 151 | 65.4 Ų | 65.4 | 71% | 0.706 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -38.3 | 169.9 | -63 | -163.8 | 144.6 | 0 | 0 | 111.9 | R1093 Q1177 | R1093-E1096 PolarHBondContact NH2-O 2.77Å; E1096-Q1177 PolarHBondContact O-NE2 2.82Å |
| 1097 | N | 68.9 | Low | 75.4 | Confident | 81 Ų | 81 | 70 Ų | 70 | 43% | 0.433 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 16 | -173.8 | -63.9 | 1.2 | 0 | 0 | 0 | 114.1 | D1095 N1142 L1143 | D1095-N1097 PolarHBondContact O-N 3.48Å; N1097-N1142 PolarHBondContact O-N 3.23Å; N1097-N1142 VanDerWaalsContact O-N 3.17Å; N1097-L1143 PolarHBondContact O-N 2.91Å |
| 1098 | S | 71.8 | Confident | 75.3 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150 | -177.1 | 81.7 | 0 | 0 | 0 | 0 | 114.2 | L1094 D1095 V1140 | L1094-S1098 WeakPolarHBondContact CB-OG 3.41Å; L1094-S1098 PolarHBondContact N-O 2.95Å; D1095-S1098 WeakPolarHBondContact CB-OG 3.45Å; D1095-S1098 VanDerWaalsContact CG-OG 3.29Å; D1095-S1098 PolarHBondContact N-O 2.83Å; D1095-S1098 PolarHBondContact N-OG 2.87Å; D1095-S1098 WeakPolarHBondContact OD2-CB 3.4Å; D1095-S1098 PolarHBondContact OD2-OG 2.76Å; S1098-V1140 WeakPolarHBondContact CA-O 3.29Å |
| 1099 | C | 80.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 155.7 | 171.2 | 69 | 0 | 0 | 0 | 0 | 112 | V1091 E1092 V1140 L1143 L1175 | V1091-C1099 HydrophobicContact CG1-CB 4.07Å; E1092-C1099 CarbonylContact O-C 3.55Å; E1092-C1099 VanDerWaalsContact O-CA 3.29Å; E1092-C1099 WeakPolarHBondContact O-CA 3.48Å; E1092-C1099 VanDerWaalsContact O-CB 3.32Å; E1092-C1099 WeakPolarHBondContact O-CB 3.42Å; C1099-V1140 PolarHBondContact N-O 3.17Å; C1099-V1140 PolarHBondContact O-N 2.73Å; C1099-L1143 HydrophobicContact CB-CD1 4.08Å; C1099-L1175 HydrophobicContact CB-CD2 3.96Å |
| 1100 | E | 80.7 | Confident | 74.6 | Confident | 66 Ų | 66 | 76.8 Ų | 76.8 | 31% | 0.308 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 142.7 | 169.2 | -174.2 | 168.1 | -171.9 | 0 | 0 | 111.1 | V1091 E1092 L1094 T1102 S1137 | V1091-E1100 CarbonylContact C-O 3.42Å; V1091-E1100 WeakPolarHBondContact CA-O 3.12Å; E1092-E1100 PolarHBondContact N-O 2.78Å; E1092-E1100 PolarHBondContact O-N 3.42Å; L1094-E1100 HydrophobicContact CD1-CB 4.01Å; E1100-T1102 HydrophobicContact CG-CG2 4.17Å; E1100-S1137 WeakPolarHBondContact OE1-CB 3.24Å; E1100-S1137 PolarHBondContact OE1-OG 2.85Å |
| 1101 | V | 83.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.8 | -177.2 | -174.4 | 0 | 0 | 0 | 0 | 109 | P1089 K1090 V1091 W1103 L1118 S1137 F1138 V1140 F1151 | P1089-V1101 HydrophobicContact CB-CG1 3.9Å; P1089-V1101 HydrophobicContact CG-CG1 4.44Å; K1090-V1101 CarbonylContact O-C 3.44Å; K1090-V1101 VanDerWaalsContact O-CA 3.29Å; K1090-V1101 WeakPolarHBondContact O-CA 3.31Å; K1090-V1101 WeakPolarHBondContact O-CG1 3.27Å; V1091-V1101 HydrophobicContact CG1-CG2 4.39Å; V1091-V1101 HydrophobicContact CG2-CG1 4.29Å; V1091-V1101 HydrophobicContact CG2-CG2 4.21Å; V1101-W1103 HydrophobicContact CG1-CE3 4.43Å; V1101-W1103 HydrophobicContact CG1-CZ3 4.34Å; V1101-W1103 WeakPolarHBondContact O-CZ3 3.24Å; V1101-L1118 HydrophobicContact CB-CD2 4.43Å; V1101-L1118 HydrophobicContact CG1-CD1 4Å; V1101-L1118 HydrophobicContact CG1-CD2 4.28Å; V1101-S1137 CarbonylContact O-C 3.54Å; V1101-S1137 VanDerWaalsContact O-CA 3.23Å; V1101-S1137 WeakPolarHBondContact O-CA 3.25Å; V1101-F1138 PolarHBondContact N-O 2.86Å; V1101-F1138 PolarHBondContact O-N 3Å; V1101-V1140 HydrophobicContact CG2-CG2 4.08Å; V1101-F1151 HydrophobicContact CG1-CB 4.14Å; V1101-F1151 HydrophobicContact CG1-CD1 4.39Å; V1101-F1151 HydrophobicContact CG1-CG 4.22Å; V1101-F1151 HydrophobicContact CG2-CD1 3.87Å; V1101-F1151 HydrophobicContact CG2-CD2 4.21Å; V1101-F1151 HydrophobicContact CG2-CE1 3.85Å; V1101-F1151 HydrophobicContact CG2-CE2 4.18Å; V1101-F1151 HydrophobicContact CG2-CG 4.06Å; V1101-F1151 HydrophobicContact CG2-CZ 4Å |
| 1102 | T | 78.1 | Confident | 74.1 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 26% | 0.264 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 147.8 | -171.4 | 73.7 | 0 | 0 | 0 | 0 | 113.4 | P1089 K1090 E1100 T1136 | P1089-T1102 CarbonylContact C-O 3.54Å; P1089-T1102 WeakPolarHBondContact CA-O 3.33Å; P1089-T1102 WeakPolarHBondContact CB-O 3.24Å; K1090-T1102 PolarHBondContact N-O 2.82Å; K1090-T1102 PolarHBondContact O-N 3.15Å; E1100-T1102 HydrophobicContact CG-CG2 4.17Å; T1102-T1136 CarbonylContact C-O 3.45Å; T1102-T1136 VanDerWaalsContact CA-O 3.32Å; T1102-T1136 WeakPolarHBondContact CA-O 3.32Å |
| 1103 | W | 84.9 | Confident | 74.2 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 7% | 0.072 | 36% | 0.362 | C | S | . | . | trans | -148.2 | 165.4 | 180 | 57.5 | 89.6 | 0 | 0 | 0 | 113.4 | P1089 V1101 Y1116 L1118 F1131 A1135 T1136 F1138 V1153 | P1089-W1103 HydrophobicContact CB-CB 4.32Å; P1089-W1103 HydrophobicContact CB-CE3 4.49Å; V1101-W1103 HydrophobicContact CG1-CE3 4.43Å; V1101-W1103 HydrophobicContact CG1-CZ3 4.34Å; V1101-W1103 WeakPolarHBondContact O-CZ3 3.24Å; W1103-Y1116 AromaticContact CD1-CG 3.97Å; W1103-Y1116 AromaticContact NE1-CD1 3.88Å; W1103-Y1116 AromaticContact NE1-CD2 3.66Å; W1103-Y1116 AromaticContact NE1-CG 3.32Å; W1103-Y1116 VanDerWaalsContact NE1-CG 3.32Å; W1103-L1118 HydrophobicContact CE3-CD1 4Å; W1103-L1118 HydrophobicContact CH2-CB 3.97Å; W1103-L1118 HydrophobicContact CH2-CD1 4.31Å; W1103-L1118 HydrophobicContact CH2-CD2 4.01Å; W1103-L1118 HydrophobicContact CH2-CG 4.32Å; W1103-L1118 HydrophobicContact CZ3-CB 4.25Å; W1103-L1118 HydrophobicContact CZ3-CD1 3.73Å; W1103-L1118 HydrophobicContact CZ3-CD2 3.77Å; W1103-L1118 HydrophobicContact CZ3-CG 4.12Å; W1103-F1131 AromaticContact CH2-CD1 3.85Å; W1103-F1131 HydrophobicContact CH2-CD1 3.85Å; W1103-F1131 HydrophobicContact CH2-CE1 4.26Å; W1103-F1131 AromaticContact CZ2-CD1 3.82Å; W1103-F1131 HydrophobicContact CZ2-CD1 3.82Å; W1103-F1131 AromaticContact CZ2-CE1 3.87Å; W1103-F1131 HydrophobicContact CZ2-CE1 3.87Å; W1103-A1135 WeakPolarHBondContact CZ2-O 3.36Å; W1103-A1135 PolarHBondContact NE1-O 2.83Å; W1103-T1136 PolarHBondContact N-O 2.95Å; W1103-T1136 WeakPolarHBondContact O-CB 3.44Å; W1103-F1138 HydrophobicContact CH2-CB 3.96Å; W1103-F1138 HydrophobicContact CZ3-CB 4.22Å; W1103-V1153 HydrophobicContact CB-CG1 4.09Å; W1103-V1153 HydrophobicContact CD2-CG2 4.13Å; W1103-V1153 HydrophobicContact CG-CG1 4.05Å; W1103-V1153 HydrophobicContact CG-CG2 4.26Å; W1103-V1153 HydrophobicContact CZ2-CG2 4.46Å | ||
| 1104 | E | 82.9 | Confident | 74.8 | Confident | 105 Ų | 105 | 63.4 Ų | 63.4 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 139.2 | -175.5 | -171.9 | 178.2 | 173.8 | 0 | 0 | 112 | K1087 | K1087-E1104 WeakPolarHBondContact CD-OE2 3.39Å; K1087-E1104 WeakPolarHBondContact CE-OE2 3.29Å; K1087-E1104 IonicContact NZ-OE1 2.77Å; K1087-E1104 PolarHBondContact NZ-OE1 2.93Å; K1087-E1104 IonicContact NZ-OE2 2.74Å; K1087-E1104 PolarHBondContact NZ-OE2 2.94Å |
| 1105 | A | 79.3 | Confident | 75.7 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 49% | 0.488 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 140.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1116 T1136 | A1105-Y1116 WeakPolarHBondContact CA-OH 3.5Å; A1105-T1136 HydrophobicContact CB-CG2 3.83Å |
| 1106 | L | 79 | Confident | 76.9 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 151.6 | 167.5 | -63.9 | 178.6 | 0 | 0 | 0 | 111.6 | P1084 V1086 V1114 Y1116 A1155 | P1084-L1106 HydrophobicContact CG-CD1 4.16Å; P1084-L1106 WeakPolarHBondContact O-CD1 3.25Å; V1086-L1106 HydrophobicContact CG2-CD1 4Å; V1086-L1106 HydrophobicContact CG2-CG 4.4Å; L1106-V1114 HydrophobicContact CB-CG1 4.38Å; L1106-Y1116 PolarHBondContact N-OH 2.85Å; L1106-A1155 HydrophobicContact CD1-CB 3.63Å |
| 1107 | P | 76.3 | Confident | 77.9 | Confident | 108 Ų | 108 | 47.6 Ų | 47.6 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -74 | 163.1 | 174.9 | 31.6 | -36.2 | 0 | 0 | 0 | 113.4 | ||
| 1108 | L | 74.8 | Confident | 78.6 | Confident | 118 Ų | 118 | 43.7 Ų | 43.7 | 62% | 0.618 | 25% | 0.247 | S | C | * | . | P | Polyproline II helix | trans | -63.5 | 133.8 | -178.3 | -59.3 | 172.3 | 0 | 0 | 0 | 112.9 | K1110 P1113 | L1108-K1110 PolarHBondContact O-N 2.79Å; L1108-P1113 HydrophobicContact CD2-CB 4.49Å |
| 1109 | M | 73.1 | Confident | 79.2 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 22% | 0.222 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -85.6 | 89.4 | 179.6 | -73.5 | -78.6 | -70.9 | 0 | 0 | 110.2 | P1082 P1083 G1111 D1112 V1114 R1157 | P1082-M1109 WeakPolarHBondContact O-CE 3.29Å; P1083-M1109 HydrophobicContact CB-CE 4.47Å; P1083-M1109 HydrophobicContact CB-CG 4.33Å; M1109-G1111 PolarHBondContact O-N 2.89Å; M1109-D1112 PolarHBondContact N-O 3.09Å; M1109-D1112 VanDerWaalsContact N-O 3.12Å; M1109-D1112 WeakPolarHBondContact O-CB 3.4Å; M1109-D1112 PolarHBondContact O-N 3.45Å; M1109-D1112 VanDerWaalsContact O-N 3.1Å; M1109-V1114 HydrophobicContact CG-CG2 4.18Å; M1109-R1157 HydrophobicContact CB-CG 4.06Å; M1109-R1157 HydrophobicContact CG-CG 4.46Å; M1109-R1157 PolarHBondContact O-NH2 3.4Å; M1109-R1157 VanDerWaalsContact O-NH2 3.16Å |
| 1110 | K | 68.9 | Low | 79 | Confident | 162 Ų | 162 | 45.4 Ų | 45.4 | 70% | 0.704 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 36.9 | -172.9 | -70.3 | -176.5 | 173.3 | 172.3 | 0 | 113.6 | E1051 L1108 D1112 | E1051-K1110 WeakPolarHBondContact OE1-CD 3.44Å; E1051-K1110 WeakPolarHBondContact OE1-CE 3.42Å; E1051-K1110 IonicContact OE1-NZ 2.84Å; E1051-K1110 PolarHBondContact OE1-NZ 2.83Å; L1108-K1110 PolarHBondContact O-N 2.79Å; K1110-D1112 VanDerWaalsContact C-N 3.34Å |
| 1111 | G | 65.8 | Low | 78.8 | Confident | 44 Ų | 44 | 43 Ų | 43 | 45% | 0.454 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -8.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | M1109 | M1109-G1111 PolarHBondContact O-N 2.89Š|
| 1112 | D | 79.2 | Confident | 78 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -72.3 | 131.4 | 168.4 | -67.2 | -40 | 0 | 0 | 0 | 109.9 | R1080 M1109 K1110 R1157 Q1158 Q1160 | R1080-D1112 IonicContact NH1-OD1 2.9Å; R1080-D1112 IonicContact NH1-OD2 2.65Å; R1080-D1112 PolarHBondContact NH1-OD2 3.1Å; M1109-D1112 PolarHBondContact N-O 3.09Å; M1109-D1112 VanDerWaalsContact N-O 3.12Å; M1109-D1112 WeakPolarHBondContact O-CB 3.4Å; M1109-D1112 PolarHBondContact O-N 3.45Å; M1109-D1112 VanDerWaalsContact O-N 3.1Å; K1110-D1112 VanDerWaalsContact C-N 3.34Å; D1112-R1157 HydrophobicContact CB-CG 3.89Å; D1112-R1157 IonicContact OD2-CZ 2.78Å; D1112-R1157 IonicContact OD2-NE 3.54Å; D1112-R1157 PolarHBondContact OD2-NE 2.94Å; D1112-R1157 IonicContact OD2-NH2 3.8Å; D1112-R1157 PolarHBondContact OD2-NH2 3.25Å; D1112-Q1158 WeakPolarHBondContact CB-O 3.36Å; D1112-Q1160 PolarHBondContact OD1-N 3.01Å |
| 1113 | P | 74.6 | Confident | 77.7 | Confident | 57 Ų | 57 | 45.5 Ų | 45.5 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | trans | -65.4 | 149 | 177.9 | 25 | -33.7 | 0 | 0 | 0 | 113.3 | L1108 Q1158 | L1108-P1113 HydrophobicContact CD2-CB 4.49Å; P1113-Q1158 VanDerWaalsContact CD-O 3.31Å; P1113-Q1158 WeakPolarHBondContact CD-O 3.38Å; P1113-Q1158 HydrophobicContact CG-CB 4.16Å; P1113-Q1158 PolarHBondContact O-N 3.41Å | ||
| 1114 | V | 81.6 | Confident | 76.7 | Confident | 14 Ų | 14 | 52 Ų | 52 | 9% | 0.085 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.4 | 174.5 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | L1106 M1109 Y1116 A1155 I1156 | L1106-V1114 HydrophobicContact CB-CG1 4.38Å; M1109-V1114 HydrophobicContact CG-CG2 4.18Å; V1114-Y1116 HydrophobicContact CG1-CE1 4.31Å; V1114-A1155 HydrophobicContact CG1-CB 3.73Å; V1114-I1156 WeakPolarHBondContact CA-O 3.33Å |
| 1115 | I | 81.8 | Confident | 76 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.087 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 160.9 | 177 | 63.2 | 169.1 | 0 | 0 | 0 | 110.9 | K1132 A1155 I1156 Q1158 | I1115-K1132 VanDerWaalsContact CD1-CE 3.41Å; I1115-K1132 HydrophobicContact CD1-CG 4.41Å; I1115-A1155 CarbonylContact O-C 3.54Å; I1115-A1155 WeakPolarHBondContact O-CA 3.35Å; I1115-I1156 HydrophobicContact CG1-CB 4.1Å; I1115-I1156 PolarHBondContact N-O 3.23Å; I1115-I1156 PolarHBondContact O-N 3.07Å; I1115-Q1158 HydrophobicContact CD1-CG 4.13Å; I1115-Q1158 HydrophobicContact CG1-CG 4.43Å |
| 1116 | Y | 87.4 | Confident | 75.7 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 149.9 | -173.4 | -54.6 | -75.3 | 0 | 0 | 0 | 111.9 | V1086 W1103 A1105 L1106 V1114 K1132 G1133 C1154 A1155 | V1086-Y1116 HydrophobicContact CG2-CD1 4.26Å; V1086-Y1116 HydrophobicContact CG2-CE1 4.17Å; W1103-Y1116 AromaticContact CD1-CG 3.97Å; W1103-Y1116 AromaticContact NE1-CD1 3.88Å; W1103-Y1116 AromaticContact NE1-CD2 3.66Å; W1103-Y1116 AromaticContact NE1-CG 3.32Å; W1103-Y1116 VanDerWaalsContact NE1-CG 3.32Å; A1105-Y1116 WeakPolarHBondContact CA-OH 3.5Å; L1106-Y1116 PolarHBondContact N-OH 2.85Å; V1114-Y1116 HydrophobicContact CG1-CE1 4.31Å; Y1116-K1132 CarbonylContact O-C 3.49Å; Y1116-K1132 VanDerWaalsContact O-CA 3.23Å; Y1116-K1132 WeakPolarHBondContact O-CA 3.22Å; Y1116-G1133 PolarHBondContact N-O 2.89Å; Y1116-G1133 PolarHBondContact O-N 2.82Å; Y1116-C1154 WeakPolarHBondContact CA-O 3.29Å; Y1116-A1155 HydrophobicContact CD1-CB 4.27Å; Y1116-A1155 HydrophobicContact CE1-CB 4.04Å |
| 1117 | S | 82.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 109.3 | 169.3 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | Q1129 F1131 V1153 C1154 | S1117-Q1129 WeakPolarHBondContact OG-CG 3.42Å; S1117-Q1129 PolarHBondContact OG-OE1 3.31Å; S1117-F1131 CarbonylContact C-O 3.55Å; S1117-F1131 WeakPolarHBondContact CA-O 3.46Å; S1117-V1153 CarbonylContact O-C 3.58Å; S1117-V1153 VanDerWaalsContact O-CA 3.24Å; S1117-V1153 WeakPolarHBondContact O-CA 3.25Å; S1117-V1153 WeakPolarHBondContact O-CG2 3.45Å; S1117-C1154 PolarHBondContact N-O 2.94Å; S1117-C1154 PolarHBondContact O-N 3.15Å |
| 1118 | L | 83.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 134.4 | 175.3 | -177.3 | 79.2 | 0 | 0 | 0 | 109.2 | V1101 W1103 Q1129 T1130 F1131 F1138 R1152 V1153 | V1101-L1118 HydrophobicContact CB-CD2 4.43Å; V1101-L1118 HydrophobicContact CG1-CD1 4Å; V1101-L1118 HydrophobicContact CG1-CD2 4.28Å; W1103-L1118 HydrophobicContact CE3-CD1 4Å; W1103-L1118 HydrophobicContact CH2-CB 3.97Å; W1103-L1118 HydrophobicContact CH2-CD1 4.31Å; W1103-L1118 HydrophobicContact CH2-CD2 4.01Å; W1103-L1118 HydrophobicContact CH2-CG 4.32Å; W1103-L1118 HydrophobicContact CZ3-CB 4.25Å; W1103-L1118 HydrophobicContact CZ3-CD1 3.73Å; W1103-L1118 HydrophobicContact CZ3-CD2 3.77Å; W1103-L1118 HydrophobicContact CZ3-CG 4.12Å; L1118-Q1129 CarbonylContact O-C 3.56Å; L1118-Q1129 WeakPolarHBondContact O-CA 3.46Å; L1118-T1130 PolarHBondContact O-N 2.88Å; L1118-F1131 HydrophobicContact CB-CB 4.12Å; L1118-F1131 HydrophobicContact CB-CD1 4.48Å; L1118-F1131 PolarHBondContact N-O 2.97Å; L1118-F1131 PolarHBondContact O-N 3.12Å; L1118-F1138 HydrophobicContact CD2-CB 4.22Å; L1118-F1138 HydrophobicContact CD2-CD1 4.32Å; L1118-R1152 WeakPolarHBondContact CA-O 3.25Å; L1118-R1152 WeakPolarHBondContact CD1-O 3.38Å; L1118-V1153 HydrophobicContact CB-CG2 4.48Å; L1118-V1153 HydrophobicContact CD1-CB 4.19Å |
| 1119 | Q | 85.3 | Confident | 75.8 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.5 | 173 | -52.5 | -174.2 | -25.2 | 0 | 0 | 110.8 | F1127 K1128 Q1129 F1151 R1152 Y1169 | Q1119-F1127 HydrophobicContact CB-CB 4.04Å; Q1119-F1127 HydrophobicContact CB-CD1 4.17Å; Q1119-F1127 HydrophobicContact CB-CG 4.49Å; Q1119-K1128 CarbonylContact C-O 3.58Å; Q1119-K1128 WeakPolarHBondContact CA-O 3.44Å; Q1119-Q1129 HydrophobicContact CG-CB 4.34Å; Q1119-F1151 CarbonylContact O-C 3.6Å; Q1119-F1151 WeakPolarHBondContact O-CA 3.15Å; Q1119-R1152 HydrophobicContact CB-CG 4.17Å; Q1119-R1152 PolarHBondContact N-O 3.14Å; Q1119-R1152 PolarHBondContact O-N 2.96Å; Q1119-R1152 VanDerWaalsContact OE1-CZ 3.27Å; Q1119-Y1169 HydrophobicContact CG-CE1 3.93Å; Q1119-Y1169 PolarHBondContact NE2-OH 3.33Å; Q1119-Y1169 VanDerWaalsContact NE2-OH 3.11Å |
| 1120 | S | 76.8 | Confident | 75.9 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 161.2 | 175.8 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | K1128 T1130 R1150 F1151 | S1120-K1128 PolarHBondContact N-O 2.83Å; S1120-K1128 PolarHBondContact O-N 2.8Å; S1120-T1130 WeakPolarHBondContact CB-OG1 3.27Å; S1120-T1130 PolarHBondContact N-OG1 2.88Å; S1120-T1130 VanDerWaalsContact N-OG1 3.15Å; S1120-T1130 WeakPolarHBondContact OG-CG2 3.04Å; S1120-T1130 PolarHBondContact OG-OG1 3.27Å; S1120-R1150 CarbonylContact C-O 3.41Å; S1120-R1150 WeakPolarHBondContact CA-O 3.37Å; S1120-F1151 VanDerWaalsContact CB-CD1 3.46Å; S1120-F1151 VanDerWaalsContact CB-CE1 3.44Å |
| 1121 | M | 76.4 | Confident | 76.5 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 146.1 | -177.5 | 169.3 | -172.3 | -58 | 0 | 0 | 109 | S1125 F1127 Y1149 R1150 | M1121-S1125 VanDerWaalsContact CE-O 3.22Å; M1121-S1125 WeakPolarHBondContact CE-O 3.36Å; M1121-S1125 VanDerWaalsContact CG-O 3.25Å; M1121-S1125 WeakPolarHBondContact CG-O 3.49Å; M1121-S1125 VanDerWaalsContact SD-O 3.33Å; M1121-F1127 HydrophobicContact CB-CD1 4Å; M1121-F1127 HydrophobicContact CB-CE1 4.2Å; M1121-F1127 HydrophobicContact CE-CD1 3.94Å; M1121-F1127 HydrophobicContact CE-CD2 3.38Å; M1121-F1127 HydrophobicContact CE-CE1 3.94Å; M1121-F1127 HydrophobicContact CE-CE2 3.38Å; M1121-F1127 HydrophobicContact CE-CG 3.67Å; M1121-F1127 HydrophobicContact CE-CZ 3.67Å; M1121-Y1149 CarbonylContact O-C 3.6Å; M1121-Y1149 VanDerWaalsContact O-CA 3.29Å; M1121-Y1149 WeakPolarHBondContact O-CA 3.29Å; M1121-R1150 HydrophobicContact CB-CB 4.08Å; M1121-R1150 PolarHBondContact N-O 2.58Å; M1121-R1150 PolarHBondContact O-N 2.95Å; M1121-R1150 HydrophobicContact SD-CB 4.37Å; M1121-R1150 PolarHBondContact SD-NE 3.23Å; M1121-R1150 PolarHBondContact SD-NH2 2.94Å |
| 1122 | M | 66.4 | Low | 77.2 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 30% | 0.3 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.1 | 175 | -173.9 | -179.8 | -179.6 | 0 | 0 | 109 | N1124 S1125 Q1144 S1147 Y1149 | M1122-N1124 PolarHBondContact O-N 2.79Å; M1122-S1125 PolarHBondContact N-OG 2.87Å; M1122-S1125 VanDerWaalsContact N-OG 3.09Å; M1122-S1125 WeakPolarHBondContact O-CB 3.46Å; M1122-S1125 PolarHBondContact O-N 2.87Å; M1122-S1125 VanDerWaalsContact O-N 3.15Å; M1122-S1125 PolarHBondContact O-OG 2.81Å; M1122-Q1144 HydrophobicContact CE-CB 3.83Å; M1122-Q1144 HydrophobicContact CE-CG 4.1Å; M1122-S1147 VanDerWaalsContact CE-CB 3.42Å; M1122-S1147 WeakPolarHBondContact CE-OG 3.49Å; M1122-Y1149 HydrophobicContact CB-CD1 4.04Å; M1122-Y1149 HydrophobicContact CB-CE1 3.84Å; M1122-Y1149 HydrophobicContact CE-CE2 4.4Å; M1122-Y1149 VanDerWaalsContact CE-OH 3.3Å; M1122-Y1149 WeakPolarHBondContact CE-OH 3.23Å; M1122-Y1149 HydrophobicContact CG-CD1 4.18Å; M1122-Y1149 HydrophobicContact CG-CE1 3.69Å; M1122-Y1149 HydrophobicContact CG-CE2 4.3Å; M1122-Y1149 HydrophobicContact SD-CE1 3.89Å; M1122-Y1149 PolarHBondContact SD-OH 3.08Å; M1122-Y1149 VanDerWaalsContact SD-OH 3.4Å |
| 1123 | G | 71.8 | Confident | 77.3 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | -122.8 | -171 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1148 R1150 | G1123-D1148 PolarHBondContact N-O 2.95Å; G1123-R1150 PolarHBondContact O-NH2 3.11Å |
| 1124 | N | 62.7 | Low | 77.6 | Confident | 154 Ų | 154 | 54.7 Ų | 54.7 | 82% | 0.824 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 28.2 | 177.2 | -78.9 | -23.3 | 0 | 0 | 0 | 113.4 | M1122 R1150 | M1122-N1124 PolarHBondContact O-N 2.79Å; N1124-R1150 PolarHBondContact OD1-NH2 3.39Å |
| 1125 | S | 68.1 | Low | 77.4 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -71.2 | 174.1 | 168.8 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | M1121 M1122 | M1121-S1125 VanDerWaalsContact CE-O 3.22Å; M1121-S1125 WeakPolarHBondContact CE-O 3.36Å; M1121-S1125 VanDerWaalsContact CG-O 3.25Å; M1121-S1125 WeakPolarHBondContact CG-O 3.49Å; M1121-S1125 VanDerWaalsContact SD-O 3.33Å; M1122-S1125 PolarHBondContact N-OG 2.87Å; M1122-S1125 VanDerWaalsContact N-OG 3.09Å; M1122-S1125 WeakPolarHBondContact O-CB 3.46Å; M1122-S1125 PolarHBondContact O-N 2.87Å; M1122-S1125 VanDerWaalsContact O-N 3.15Å; M1122-S1125 PolarHBondContact O-OG 2.81Å |
| 1126 | E | 74.4 | Confident | 77.3 | Confident | 161 Ų | 161 | 58.2 Ų | 58.2 | 75% | 0.752 | 32% | 0.321 | S | S | * | . | trans | -74 | 155 | 172 | -64.2 | -173.4 | 155.7 | 0 | 0 | 112.4 | K1128 | E1126-K1128 PolarHBondContact O-N 2.87Š| ||
| 1127 | F | 78.3 | Confident | 76.9 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | trans | -66.2 | 117.8 | 170.2 | -78.3 | -73 | 0 | 0 | 0 | 111 | Q1119 M1121 R1152 T1172 | Q1119-F1127 HydrophobicContact CB-CB 4.04Å; Q1119-F1127 HydrophobicContact CB-CD1 4.17Å; Q1119-F1127 HydrophobicContact CB-CG 4.49Å; M1121-F1127 HydrophobicContact CB-CD1 4Å; M1121-F1127 HydrophobicContact CB-CE1 4.2Å; M1121-F1127 HydrophobicContact CE-CD1 3.94Å; M1121-F1127 HydrophobicContact CE-CD2 3.38Å; M1121-F1127 HydrophobicContact CE-CE1 3.94Å; M1121-F1127 HydrophobicContact CE-CE2 3.38Å; M1121-F1127 HydrophobicContact CE-CG 3.67Å; M1121-F1127 HydrophobicContact CE-CZ 3.67Å; F1127-R1152 HydrophobicContact CD1-CG 3.95Å; F1127-R1152 HydrophobicContact CE1-CB 4.36Å; F1127-R1152 HydrophobicContact CE1-CG 3.78Å; F1127-R1152 HydrophobicContact CZ-CG 4.2Å; F1127-T1172 HydrophobicContact CE1-CG2 3.94Å; F1127-T1172 HydrophobicContact CZ-CG2 3.71Å; F1127-T1172 WeakPolarHBondContact CZ-OG1 3.46Å | ||
| 1128 | K | 76 | Confident | 76.9 | Confident | 148 Ų | 148 | 63.2 Ų | 63.2 | 64% | 0.643 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 138.2 | 173.9 | -65 | -177.8 | -179.6 | -179.3 | 0 | 110 | Q1119 S1120 E1126 T1130 | Q1119-K1128 CarbonylContact C-O 3.58Å; Q1119-K1128 WeakPolarHBondContact CA-O 3.44Å; S1120-K1128 PolarHBondContact N-O 2.83Å; S1120-K1128 PolarHBondContact O-N 2.8Å; E1126-K1128 PolarHBondContact O-N 2.87Å; K1128-T1130 PolarHBondContact O-N 3.37Å; K1128-T1130 VanDerWaalsContact O-N 3.14Å |
| 1129 | Q | 76.9 | Confident | 76.7 | Confident | 107 Ų | 107 | 66.4 Ų | 66.4 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 111.1 | 177.1 | -171.3 | -175.5 | -91.1 | 0 | 0 | 110.2 | S1117 L1118 Q1119 | S1117-Q1129 WeakPolarHBondContact OG-CG 3.42Å; S1117-Q1129 PolarHBondContact OG-OE1 3.31Å; L1118-Q1129 CarbonylContact O-C 3.56Å; L1118-Q1129 WeakPolarHBondContact O-CA 3.46Å; Q1119-Q1129 HydrophobicContact CG-CB 4.34Å |
| 1130 | T | 75.8 | Confident | 76.3 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 34% | 0.337 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -24.8 | 179.3 | 6 | 0 | 0 | 0 | 0 | 112.5 | L1118 S1120 K1128 | L1118-T1130 PolarHBondContact O-N 2.88Å; S1120-T1130 WeakPolarHBondContact CB-OG1 3.27Å; S1120-T1130 PolarHBondContact N-OG1 2.88Å; S1120-T1130 VanDerWaalsContact N-OG1 3.15Å; S1120-T1130 WeakPolarHBondContact OG-CG2 3.04Å; S1120-T1130 PolarHBondContact OG-OG1 3.27Å; K1128-T1130 PolarHBondContact O-N 3.37Å; K1128-T1130 VanDerWaalsContact O-N 3.14Å |
| 1131 | F | 81.3 | Confident | 76.1 | Confident | 37 Ų | 37 | 71.2 Ų | 71.2 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 144.1 | 175.1 | 170.5 | -95.9 | 0 | 0 | 0 | 111.1 | W1103 S1117 L1118 A1135 F1138 | W1103-F1131 AromaticContact CH2-CD1 3.85Å; W1103-F1131 HydrophobicContact CH2-CD1 3.85Å; W1103-F1131 HydrophobicContact CH2-CE1 4.26Å; W1103-F1131 AromaticContact CZ2-CD1 3.82Å; W1103-F1131 HydrophobicContact CZ2-CD1 3.82Å; W1103-F1131 AromaticContact CZ2-CE1 3.87Å; W1103-F1131 HydrophobicContact CZ2-CE1 3.87Å; S1117-F1131 CarbonylContact C-O 3.55Å; S1117-F1131 WeakPolarHBondContact CA-O 3.46Å; L1118-F1131 HydrophobicContact CB-CB 4.12Å; L1118-F1131 HydrophobicContact CB-CD1 4.48Å; L1118-F1131 PolarHBondContact N-O 2.97Å; L1118-F1131 PolarHBondContact O-N 3.12Å; F1131-A1135 HydrophobicContact CE1-CB 4.23Å; F1131-A1135 HydrophobicContact CE2-CB 4.39Å; F1131-A1135 HydrophobicContact CZ-CB 3.65Å; F1131-F1138 HydrophobicContact CB-CB 4.48Å; F1131-F1138 HydrophobicContact CB-CD1 4.15Å; F1131-F1138 HydrophobicContact CB-CD2 3.87Å; F1131-F1138 HydrophobicContact CB-CE1 4.35Å; F1131-F1138 HydrophobicContact CB-CE2 4.1Å; F1131-F1138 HydrophobicContact CB-CG 3.9Å; F1131-F1138 HydrophobicContact CB-CZ 4.32Å; F1131-F1138 AromaticContact CD2-CD2 3.5Å; F1131-F1138 HydrophobicContact CD2-CD2 3.5Å; F1131-F1138 AromaticContact CD2-CE2 3.7Å; F1131-F1138 HydrophobicContact CD2-CE2 3.7Å; F1131-F1138 HydrophobicContact CD2-CG 4.31Å; F1131-F1138 HydrophobicContact CE2-CD2 4.27Å; F1131-F1138 AromaticContact CG-CD2 3.84Å; F1131-F1138 HydrophobicContact CG-CD2 3.84Å; F1131-F1138 HydrophobicContact CG-CE2 4.26Å; F1131-F1138 HydrophobicContact CG-CG 4.19Å |
| 1132 | K | 81.4 | Confident | 75.8 | Confident | 82 Ų | 82 | 77 Ų | 77 | 36% | 0.357 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 128.7 | 162.3 | 179.9 | -177.4 | 169.8 | -173.2 | 0 | 109 | I1115 Y1116 E1164 | I1115-K1132 VanDerWaalsContact CD1-CE 3.41Å; I1115-K1132 HydrophobicContact CD1-CG 4.41Å; Y1116-K1132 CarbonylContact O-C 3.49Å; Y1116-K1132 VanDerWaalsContact O-CA 3.23Å; Y1116-K1132 WeakPolarHBondContact O-CA 3.22Å; K1132-E1164 IonicContact NZ-OE1 2.65Å; K1132-E1164 PolarHBondContact NZ-OE1 2.93Å; K1132-E1164 IonicContact NZ-OE2 2.76Å; K1132-E1164 PolarHBondContact NZ-OE2 3.18Å |
| 1133 | G | 81.4 | Confident | 76.1 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 18% | 0.175 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164 | -174 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1116 | Y1116-G1133 PolarHBondContact N-O 2.89Å; Y1116-G1133 PolarHBondContact O-N 2.82Å |
| 1134 | S | 80.8 | Confident | 75.6 | Confident | 95 Ų | 95 | 79 Ų | 79 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -83.2 | -10.9 | -177.1 | 49.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1135 | A | 75.7 | Confident | 75.5 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | trans | -67.8 | 154.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | W1103 F1131 | W1103-A1135 WeakPolarHBondContact CZ2-O 3.36Å; W1103-A1135 PolarHBondContact NE1-O 2.83Å; F1131-A1135 HydrophobicContact CE1-CB 4.23Å; F1131-A1135 HydrophobicContact CE2-CB 4.39Å; F1131-A1135 HydrophobicContact CZ-CB 3.65Å | ||
| 1136 | T | 80.9 | Confident | 75 | Confident | 62 Ų | 62 | 78 Ų | 78 | 38% | 0.38 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -109.3 | -3.2 | 179.9 | 43.6 | 0 | 0 | 0 | 0 | 113.8 | T1102 W1103 A1105 | T1102-T1136 CarbonylContact C-O 3.45Å; T1102-T1136 VanDerWaalsContact CA-O 3.32Å; T1102-T1136 WeakPolarHBondContact CA-O 3.32Å; W1103-T1136 PolarHBondContact N-O 2.95Å; W1103-T1136 WeakPolarHBondContact O-CB 3.44Å; A1105-T1136 HydrophobicContact CB-CG2 3.83Å |
| 1137 | S | 78.4 | Confident | 74.5 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 33% | 0.329 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 157.6 | 165.7 | 75.7 | 0 | 0 | 0 | 0 | 112 | E1100 V1101 | E1100-S1137 WeakPolarHBondContact OE1-CB 3.24Å; E1100-S1137 PolarHBondContact OE1-OG 2.85Å; V1101-S1137 CarbonylContact O-C 3.54Å; V1101-S1137 VanDerWaalsContact O-CA 3.23Å; V1101-S1137 WeakPolarHBondContact O-CA 3.25Å |
| 1138 | F | 82.4 | Confident | 74.4 | Confident | 64 Ų | 64 | 73 Ų | 73 | 28% | 0.281 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 128.5 | 175.2 | -168.8 | -105.4 | 0 | 0 | 0 | 111.1 | V1101 W1103 L1118 F1131 V1140 | V1101-F1138 PolarHBondContact N-O 2.86Å; V1101-F1138 PolarHBondContact O-N 3Å; W1103-F1138 HydrophobicContact CH2-CB 3.96Å; W1103-F1138 HydrophobicContact CZ3-CB 4.22Å; L1118-F1138 HydrophobicContact CD2-CB 4.22Å; L1118-F1138 HydrophobicContact CD2-CD1 4.32Å; F1131-F1138 HydrophobicContact CB-CB 4.48Å; F1131-F1138 HydrophobicContact CB-CD1 4.15Å; F1131-F1138 HydrophobicContact CB-CD2 3.87Å; F1131-F1138 HydrophobicContact CB-CE1 4.35Å; F1131-F1138 HydrophobicContact CB-CE2 4.1Å; F1131-F1138 HydrophobicContact CB-CG 3.9Å; F1131-F1138 HydrophobicContact CB-CZ 4.32Å; F1131-F1138 AromaticContact CD2-CD2 3.5Å; F1131-F1138 HydrophobicContact CD2-CD2 3.5Å; F1131-F1138 AromaticContact CD2-CE2 3.7Å; F1131-F1138 HydrophobicContact CD2-CE2 3.7Å; F1131-F1138 HydrophobicContact CD2-CG 4.31Å; F1131-F1138 HydrophobicContact CE2-CD2 4.27Å; F1131-F1138 AromaticContact CG-CD2 3.84Å; F1131-F1138 HydrophobicContact CG-CD2 3.84Å; F1131-F1138 HydrophobicContact CG-CE2 4.26Å; F1131-F1138 HydrophobicContact CG-CG 4.19Å; F1138-V1140 HydrophobicContact CD1-CG2 3.92Å; F1138-V1140 HydrophobicContact CE1-CG2 4.3Å |
| 1139 | H | 78.8 | Confident | 74.4 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 31% | 0.31 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.6 | 179.7 | 179.6 | 76.2 | 0 | 0 | 0 | 110.8 | L1094 Q1141 | L1094-H1139 VanDerWaalsContact CD1-CE1 3.46Å; L1094-H1139 WeakPolarHBondContact CD1-CE1 3.3Å; L1094-H1139 VanDerWaalsContact CD1-ND1 3.31Å; L1094-H1139 WeakPolarHBondContact CD1-ND1 3.48Å; H1139-Q1141 VanDerWaalsContact CD2-CG 3.43Å; H1139-Q1141 WeakPolarHBondContact CD2-CG 3.49Å; H1139-Q1141 PolarHBondContact CD2-NE2 2.85Å; H1139-Q1141 VanDerWaalsContact CD2-NE2 3.27Å; H1139-Q1141 WeakPolarHBondContact NE2-CG 3.31Å; H1139-Q1141 PolarHBondContact NE2-NE2 2.88Å |
| 1140 | V | 78.2 | Confident | 74.6 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118.3 | -172.7 | -174.3 | 0 | 0 | 0 | 0 | 109 | S1098 C1099 V1101 F1138 L1143 F1151 | S1098-V1140 WeakPolarHBondContact CA-O 3.29Å; C1099-V1140 PolarHBondContact N-O 3.17Å; C1099-V1140 PolarHBondContact O-N 2.73Å; V1101-V1140 HydrophobicContact CG2-CG2 4.08Å; F1138-V1140 HydrophobicContact CD1-CG2 3.92Å; F1138-V1140 HydrophobicContact CE1-CG2 4.3Å; V1140-L1143 HydrophobicContact CG1-CD2 3.9Å; V1140-F1151 HydrophobicContact CG2-CE1 4.01Å; V1140-F1151 HydrophobicContact CG2-CZ 4.42Å |
| 1141 | Q | 71.6 | Confident | 74.8 | Confident | 124 Ų | 124 | 63.1 Ų | 63.1 | 58% | 0.579 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 169 | -176.7 | -65.7 | -177.1 | -14.9 | 0 | 0 | 111.9 | H1139 L1143 | H1139-Q1141 VanDerWaalsContact CD2-CG 3.43Å; H1139-Q1141 WeakPolarHBondContact CD2-CG 3.49Å; H1139-Q1141 PolarHBondContact CD2-NE2 2.85Å; H1139-Q1141 VanDerWaalsContact CD2-NE2 3.27Å; H1139-Q1141 WeakPolarHBondContact NE2-CG 3.31Å; H1139-Q1141 PolarHBondContact NE2-NE2 2.88Å; Q1141-L1143 VanDerWaalsContact C-N 3.31Å; Q1141-L1143 PolarHBondContact O-N 2.89Å |
| 1142 | N | 70.4 | Confident | 74.9 | Confident | 139 Ų | 139 | 64.7 Ų | 64.7 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | trans | 61.3 | 36.6 | -179.9 | -52.7 | -60.7 | 0 | 0 | 0 | 113.2 | N1097 Q1144 | N1097-N1142 PolarHBondContact O-N 3.23Å; N1097-N1142 VanDerWaalsContact O-N 3.17Å; N1142-Q1144 PolarHBondContact O-N 2.77Å | ||
| 1143 | L | 72.6 | Confident | 74.9 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 126.2 | 167.2 | -53.3 | 177.6 | 0 | 0 | 0 | 108.4 | N1097 C1099 V1140 Q1141 Y1149 L1175 | N1097-L1143 PolarHBondContact O-N 2.91Å; C1099-L1143 HydrophobicContact CB-CD1 4.08Å; V1140-L1143 HydrophobicContact CG1-CD2 3.9Å; Q1141-L1143 VanDerWaalsContact C-N 3.31Å; Q1141-L1143 PolarHBondContact O-N 2.89Å; L1143-Y1149 WeakPolarHBondContact CA-OH 3.42Å; L1143-Y1149 HydrophobicContact CB-CE2 3.96Å; L1143-Y1149 HydrophobicContact CD2-CD1 4.01Å; L1143-Y1149 HydrophobicContact CD2-CD2 3.97Å; L1143-Y1149 HydrophobicContact CD2-CE1 3.87Å; L1143-Y1149 HydrophobicContact CD2-CE2 3.84Å; L1143-Y1149 HydrophobicContact CD2-CG 4.05Å; L1143-Y1149 HydrophobicContact CG-CE2 4.47Å; L1143-L1175 HydrophobicContact CD1-CD2 4.07Å |
| 1144 | Q | 61.5 | Low | 74.9 | Confident | 130 Ų | 130 | 60 Ų | 60 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 136.6 | 178 | -67.4 | -169.9 | -17.5 | 0 | 0 | 110.6 | M1122 N1142 S1147 Y1149 | M1122-Q1144 HydrophobicContact CE-CB 3.83Å; M1122-Q1144 HydrophobicContact CE-CG 4.1Å; N1142-Q1144 PolarHBondContact O-N 2.77Å; Q1144-S1147 PolarHBondContact O-N 2.8Å; Q1144-Y1149 PolarHBondContact N-OH 2.8Å |
| 1145 | S | 59.7 | Low | 75 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 56% | 0.559 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 140.5 | 174.4 | 43.2 | 0 | 0 | 0 | 0 | 111 | ||
| 1146 | S | 57.7 | Low | 75.2 | Confident | 108 Ų | 108 | 53.8 Ų | 53.8 | 76% | 0.755 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 25.9 | -171.3 | 72.7 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1147 | S | 65.3 | Low | 75.3 | Confident | 40 Ų | 40 | 51 Ų | 51 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | trans | -130.9 | 140.2 | 172.5 | -76.7 | 0 | 0 | 0 | 0 | 114.4 | M1122 Q1144 Y1149 | M1122-S1147 VanDerWaalsContact CE-CB 3.42Å; M1122-S1147 WeakPolarHBondContact CE-OG 3.49Å; Q1144-S1147 PolarHBondContact O-N 2.8Å; S1147-Y1149 WeakPolarHBondContact O-CD2 3.35Å | ||
| 1148 | D | 75.7 | Confident | 75.1 | Confident | 66 Ų | 66 | 52 Ų | 52 | 35% | 0.353 | 27% | 0.268 | S | S | . | . | trans | -89 | 143.2 | 179.2 | -81.1 | 33 | 0 | 0 | 0 | 112.3 | G1123 L1175 S1176 | G1123-D1148 PolarHBondContact N-O 2.95Å; D1148-L1175 CarbonylContact C-O 3.58Å; D1148-L1175 WeakPolarHBondContact CA-O 3.43Å; D1148-S1176 VanDerWaalsContact CG-OG 3.22Å; D1148-S1176 VanDerWaalsContact OD1-CA 3.29Å; D1148-S1176 WeakPolarHBondContact OD1-CA 3.45Å; D1148-S1176 VanDerWaalsContact OD1-CB 3.25Å; D1148-S1176 WeakPolarHBondContact OD1-CB 3.37Å; D1148-S1176 PolarHBondContact OD1-OG 2.79Å; D1148-S1176 WeakPolarHBondContact OD2-CB 3.08Å; D1148-S1176 PolarHBondContact OD2-OG 3.21Å | ||
| 1149 | Y | 74.9 | Confident | 74.5 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146 | -177.8 | -71.6 | -98.2 | 0 | 0 | 0 | 112.4 | M1121 M1122 L1143 Q1144 S1147 T1174 L1175 | M1121-Y1149 CarbonylContact O-C 3.6Å; M1121-Y1149 VanDerWaalsContact O-CA 3.29Å; M1121-Y1149 WeakPolarHBondContact O-CA 3.29Å; M1122-Y1149 HydrophobicContact CB-CD1 4.04Å; M1122-Y1149 HydrophobicContact CB-CE1 3.84Å; M1122-Y1149 HydrophobicContact CE-CE2 4.4Å; M1122-Y1149 VanDerWaalsContact CE-OH 3.3Å; M1122-Y1149 WeakPolarHBondContact CE-OH 3.23Å; M1122-Y1149 HydrophobicContact CG-CD1 4.18Å; M1122-Y1149 HydrophobicContact CG-CE1 3.69Å; M1122-Y1149 HydrophobicContact CG-CE2 4.3Å; M1122-Y1149 HydrophobicContact SD-CE1 3.89Å; M1122-Y1149 PolarHBondContact SD-OH 3.08Å; M1122-Y1149 VanDerWaalsContact SD-OH 3.4Å; L1143-Y1149 WeakPolarHBondContact CA-OH 3.42Å; L1143-Y1149 HydrophobicContact CB-CE2 3.96Å; L1143-Y1149 HydrophobicContact CD2-CD1 4.01Å; L1143-Y1149 HydrophobicContact CD2-CD2 3.97Å; L1143-Y1149 HydrophobicContact CD2-CE1 3.87Å; L1143-Y1149 HydrophobicContact CD2-CE2 3.84Å; L1143-Y1149 HydrophobicContact CD2-CG 4.05Å; L1143-Y1149 HydrophobicContact CG-CE2 4.47Å; Q1144-Y1149 PolarHBondContact N-OH 2.8Å; S1147-Y1149 WeakPolarHBondContact O-CD2 3.35Å; Y1149-T1174 CarbonylContact O-C 3.54Å; Y1149-T1174 WeakPolarHBondContact O-CA 3.16Å; Y1149-L1175 PolarHBondContact N-O 2.91Å; Y1149-L1175 PolarHBondContact O-N 3.37Å |
| 1150 | R | 82.4 | Confident | 73.9 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.5 | -178.9 | -86.8 | -174.3 | -72.2 | -171.2 | -6.1 | 113 | S1120 M1121 G1123 N1124 T1172 V1173 T1174 | S1120-R1150 CarbonylContact C-O 3.41Å; S1120-R1150 WeakPolarHBondContact CA-O 3.37Å; M1121-R1150 HydrophobicContact CB-CB 4.08Å; M1121-R1150 PolarHBondContact N-O 2.58Å; M1121-R1150 PolarHBondContact O-N 2.95Å; M1121-R1150 HydrophobicContact SD-CB 4.37Å; M1121-R1150 PolarHBondContact SD-NE 3.23Å; M1121-R1150 PolarHBondContact SD-NH2 2.94Å; G1123-R1150 PolarHBondContact O-NH2 3.11Å; N1124-R1150 PolarHBondContact OD1-NH2 3.39Å; R1150-T1172 HydrophobicContact CB-CG2 3.79Å; R1150-T1172 HydrophobicContact CG-CG2 4.02Å; R1150-V1173 CarbonylContact C-O 3.52Å; R1150-V1173 WeakPolarHBondContact CA-O 3.2Å; R1150-T1174 HydrophobicContact CG-CG2 3.89Å; R1150-T1174 WeakPolarHBondContact CG-OG1 3.5Å |
| 1151 | F | 79.7 | Confident | 73.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 142.8 | -173.5 | -57.2 | -86.6 | 0 | 0 | 0 | 114.7 | P1089 V1091 V1101 Q1119 S1120 V1140 T1172 V1173 | P1089-F1151 HydrophobicContact CG-CB 4.34Å; V1091-F1151 HydrophobicContact CG1-CE2 4.39Å; V1091-F1151 HydrophobicContact CG2-CD2 3.74Å; V1091-F1151 HydrophobicContact CG2-CE2 4.24Å; V1091-F1151 HydrophobicContact CG2-CG 4.47Å; V1101-F1151 HydrophobicContact CG1-CB 4.14Å; V1101-F1151 HydrophobicContact CG1-CD1 4.39Å; V1101-F1151 HydrophobicContact CG1-CG 4.22Å; V1101-F1151 HydrophobicContact CG2-CD1 3.87Å; V1101-F1151 HydrophobicContact CG2-CD2 4.21Å; V1101-F1151 HydrophobicContact CG2-CE1 3.85Å; V1101-F1151 HydrophobicContact CG2-CE2 4.18Å; V1101-F1151 HydrophobicContact CG2-CG 4.06Å; V1101-F1151 HydrophobicContact CG2-CZ 4Å; Q1119-F1151 CarbonylContact O-C 3.6Å; Q1119-F1151 WeakPolarHBondContact O-CA 3.15Å; S1120-F1151 VanDerWaalsContact CB-CD1 3.46Å; S1120-F1151 VanDerWaalsContact CB-CE1 3.44Å; V1140-F1151 HydrophobicContact CG2-CE1 4.01Å; V1140-F1151 HydrophobicContact CG2-CZ 4.42Å; F1151-T1172 WeakPolarHBondContact O-CA 3.34Å; F1151-T1172 WeakPolarHBondContact O-CG2 3.19Å; F1151-V1173 PolarHBondContact N-O 3.34Å; F1151-V1173 PolarHBondContact O-N 3.08Å; F1151-V1173 VanDerWaalsContact O-N 3.07Å |
| 1152 | R | 83.1 | Confident | 72.9 | Confident | 69 Ų | 69 | 55.5 Ų | 55.5 | 26% | 0.26 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 159.1 | 174.9 | 69.7 | 177.1 | -174.7 | -177.3 | -1.3 | 113.1 | L1118 Q1119 F1127 Y1169 | L1118-R1152 WeakPolarHBondContact CA-O 3.25Å; L1118-R1152 WeakPolarHBondContact CD1-O 3.38Å; Q1119-R1152 HydrophobicContact CB-CG 4.17Å; Q1119-R1152 PolarHBondContact N-O 3.14Å; Q1119-R1152 PolarHBondContact O-N 2.96Å; Q1119-R1152 VanDerWaalsContact OE1-CZ 3.27Å; F1127-R1152 HydrophobicContact CD1-CG 3.95Å; F1127-R1152 HydrophobicContact CE1-CB 4.36Å; F1127-R1152 HydrophobicContact CE1-CG 3.78Å; F1127-R1152 HydrophobicContact CZ-CG 4.2Å; R1152-Y1169 HydrophobicContact CG-CD1 4.46Å |
| 1153 | V | 81.6 | Confident | 72.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.9 | -176.4 | 71.5 | 0 | 0 | 0 | 0 | 114.5 | V1086 W1103 S1117 L1118 S1170 | V1086-V1153 HydrophobicContact CB-CG1 4.3Å; V1086-V1153 HydrophobicContact CG1-CG1 3.94Å; W1103-V1153 HydrophobicContact CB-CG1 4.09Å; W1103-V1153 HydrophobicContact CD2-CG2 4.13Å; W1103-V1153 HydrophobicContact CG-CG1 4.05Å; W1103-V1153 HydrophobicContact CG-CG2 4.26Å; W1103-V1153 HydrophobicContact CZ2-CG2 4.46Å; S1117-V1153 CarbonylContact O-C 3.58Å; S1117-V1153 VanDerWaalsContact O-CA 3.24Å; S1117-V1153 WeakPolarHBondContact O-CA 3.25Å; S1117-V1153 WeakPolarHBondContact O-CG2 3.45Å; L1118-V1153 HydrophobicContact CB-CG2 4.48Å; L1118-V1153 HydrophobicContact CD1-CB 4.19Å; V1153-S1170 WeakPolarHBondContact CG1-OG 3.08Å; V1153-S1170 PolarHBondContact N-OG 2.97Å; V1153-S1170 WeakPolarHBondContact O-CB 3.34Å; V1153-S1170 PolarHBondContact O-N 2.87Å; V1153-S1170 PolarHBondContact O-OG 3.25Å |
| 1154 | C | 81 | Confident | 72.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 168.2 | 164.8 | 79.9 | 0 | 0 | 0 | 0 | 112.9 | Y1116 S1117 Y1169 | Y1116-C1154 WeakPolarHBondContact CA-O 3.29Å; S1117-C1154 PolarHBondContact N-O 2.94Å; S1117-C1154 PolarHBondContact O-N 3.15Å; C1154-Y1169 HydrophobicContact CB-CD1 3.53Å; C1154-Y1169 HydrophobicContact CB-CD2 3.91Å; C1154-Y1169 HydrophobicContact CB-CE1 3.72Å; C1154-Y1169 HydrophobicContact CB-CE2 4.09Å; C1154-Y1169 HydrophobicContact CB-CG 3.62Å; C1154-Y1169 VanDerWaalsContact SG-CZ 3.58Å |
| 1155 | A | 83.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 145.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1086 L1106 V1114 I1115 Y1116 G1167 | V1086-A1155 HydrophobicContact CG2-CB 3.44Å; V1086-A1155 VanDerWaalsContact CG2-CB 3.44Å; L1106-A1155 HydrophobicContact CD1-CB 3.63Å; V1114-A1155 HydrophobicContact CG1-CB 3.73Å; I1115-A1155 CarbonylContact O-C 3.54Å; I1115-A1155 WeakPolarHBondContact O-CA 3.35Å; Y1116-A1155 HydrophobicContact CD1-CB 4.27Å; Y1116-A1155 HydrophobicContact CE1-CB 4.04Å; A1155-G1167 WeakPolarHBondContact O-CA 3.24Å; A1155-G1167 PolarHBondContact O-N 3.38Å |
| 1156 | I | 80.1 | Confident | 74.3 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 125.7 | -179.4 | -55.9 | 172.5 | 0 | 0 | 0 | 108.2 | V1114 I1115 E1164 | V1114-I1156 WeakPolarHBondContact CA-O 3.33Å; I1115-I1156 HydrophobicContact CG1-CB 4.1Å; I1115-I1156 PolarHBondContact N-O 3.23Å; I1115-I1156 PolarHBondContact O-N 3.07Å; I1156-E1164 HydrophobicContact CG2-CB 3.71Å; I1156-E1164 HydrophobicContact CG2-CG 3.82Å |
| 1157 | R | 82.9 | Confident | 75.2 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 113.8 | 172.1 | 176.4 | -175.1 | -176.9 | 165.6 | 7.3 | 107.6 | S1081 P1083 M1109 D1112 L1165 | S1081-R1157 PolarHBondContact O-NH1 2.88Å; P1083-R1157 HydrophobicContact CB-CB 4.14Å; P1083-R1157 HydrophobicContact CG-CB 3.88Å; M1109-R1157 HydrophobicContact CB-CG 4.06Å; M1109-R1157 HydrophobicContact CG-CG 4.46Å; M1109-R1157 PolarHBondContact O-NH2 3.4Å; M1109-R1157 VanDerWaalsContact O-NH2 3.16Å; D1112-R1157 HydrophobicContact CB-CG 3.89Å; D1112-R1157 IonicContact OD2-CZ 2.78Å; D1112-R1157 IonicContact OD2-NE 3.54Å; D1112-R1157 PolarHBondContact OD2-NE 2.94Å; D1112-R1157 IonicContact OD2-NH2 3.8Å; D1112-R1157 PolarHBondContact OD2-NH2 3.25Å; R1157-L1165 HydrophobicContact CB-CB 4.33Å; R1157-L1165 PolarHBondContact N-O 3.41Å; R1157-L1165 PolarHBondContact O-N 3.26Å |
| 1158 | Q | 75.1 | Confident | 75.9 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 104.2 | 166.8 | -87.1 | -177.3 | -19.5 | 0 | 0 | 108.1 | D1112 P1113 I1115 E1164 | D1112-Q1158 WeakPolarHBondContact CB-O 3.36Å; P1113-Q1158 VanDerWaalsContact CD-O 3.31Å; P1113-Q1158 WeakPolarHBondContact CD-O 3.38Å; P1113-Q1158 HydrophobicContact CG-CB 4.16Å; P1113-Q1158 PolarHBondContact O-N 3.41Å; I1115-Q1158 HydrophobicContact CD1-CG 4.13Å; I1115-Q1158 HydrophobicContact CG1-CG 4.43Å; Q1158-E1164 HydrophobicContact CG-CG 3.65Å; Q1158-E1164 PolarHBondContact NE2-OE1 2.85Å |
| 1159 | C | 68.9 | Low | 76 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | trans | -71.3 | 152.8 | 170.4 | -64.1 | 0 | 0 | 0 | 0 | 110.2 | D1161 A1162 T1163 | C1159-D1161 WeakPolarHBondContact CB-OD1 3.13Å; C1159-D1161 PolarHBondContact O-N 3.37Å; C1159-D1161 VanDerWaalsContact O-N 3.07Å; C1159-A1162 WeakPolarHBondContact O-CA 3.27Å; C1159-A1162 PolarHBondContact O-N 2.93Å; C1159-T1163 PolarHBondContact N-O 2.78Å | ||
| 1160 | Q | 66.2 | Low | 76.3 | Confident | 159 Ų | 159 | 49 Ų | 49 | 74% | 0.743 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22.4 | -177.1 | -68.3 | 169.5 | 2 | 0 | 0 | 114.5 | D1112 A1162 | D1112-Q1160 PolarHBondContact OD1-N 3.01Å; Q1160-A1162 PolarHBondContact O-N 2.63Å |
| 1161 | D | 67 | Low | 76 | Confident | 94 Ų | 94 | 49.3 Ų | 49.3 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 16 | 171.7 | 55.1 | -67.3 | 0 | 0 | 0 | 114.1 | C1159 T1163 | C1159-D1161 WeakPolarHBondContact CB-OD1 3.13Å; C1159-D1161 PolarHBondContact O-N 3.37Å; C1159-D1161 VanDerWaalsContact O-N 3.07Å; D1161-T1163 PolarHBondContact O-N 3.23Å; D1161-T1163 VanDerWaalsContact O-N 3.13Å; D1161-T1163 WeakPolarHBondContact OD2-CB 3.09Å; D1161-T1163 WeakPolarHBondContact OD2-CG2 3.38Å; D1161-T1163 PolarHBondContact OD2-OG1 3.43Å |
| 1162 | A | 60.6 | Low | 76 | Confident | 87 Ų | 87 | 52.1 Ų | 52.1 | 72% | 0.719 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 60.8 | 10.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1159 Q1160 E1164 | C1159-A1162 WeakPolarHBondContact O-CA 3.27Å; C1159-A1162 PolarHBondContact O-N 2.93Å; Q1160-A1162 PolarHBondContact O-N 2.63Å; A1162-E1164 PolarHBondContact O-N 3.05Å |
| 1163 | T | 68.3 | Low | 75.7 | Confident | 67 Ų | 67 | 51.1 Ų | 51.1 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | trans | -75.9 | 122.8 | 171.3 | 57.2 | 0 | 0 | 0 | 0 | 111 | C1159 D1161 | C1159-T1163 PolarHBondContact N-O 2.78Å; D1161-T1163 PolarHBondContact O-N 3.23Å; D1161-T1163 VanDerWaalsContact O-N 3.13Å; D1161-T1163 WeakPolarHBondContact OD2-CB 3.09Å; D1161-T1163 WeakPolarHBondContact OD2-CG2 3.38Å; D1161-T1163 PolarHBondContact OD2-OG1 3.43Å | ||
| 1164 | E | 76.2 | Confident | 75.5 | Confident | 83 Ų | 83 | 54.8 Ų | 54.8 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 104.4 | 177.3 | -82.1 | -168.7 | 179.4 | 0 | 0 | 111.3 | K1132 I1156 Q1158 A1162 S1166 | K1132-E1164 IonicContact NZ-OE1 2.65Å; K1132-E1164 PolarHBondContact NZ-OE1 2.93Å; K1132-E1164 IonicContact NZ-OE2 2.76Å; K1132-E1164 PolarHBondContact NZ-OE2 3.18Å; I1156-E1164 HydrophobicContact CG2-CB 3.71Å; I1156-E1164 HydrophobicContact CG2-CG 3.82Å; Q1158-E1164 HydrophobicContact CG-CG 3.65Å; Q1158-E1164 PolarHBondContact NE2-OE1 2.85Å; A1162-E1164 PolarHBondContact O-N 3.05Å; E1164-S1166 PolarHBondContact O-N 2.94Å |
| 1165 | L | 76.7 | Confident | 75 | Confident | 57 Ų | 57 | 56.3 Ų | 56.3 | 30% | 0.298 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 97.7 | 170.4 | -65.8 | 177.1 | 0 | 0 | 0 | 108.8 | S1081 P1082 P1083 R1157 | S1081-L1165 WeakPolarHBondContact O-CD1 3.33Å; P1082-L1165 HydrophobicContact CB-CB 4.13Å; P1083-L1165 WeakPolarHBondContact CD-O 3.49Å; P1083-L1165 VanDerWaalsContact CG-O 3.25Å; P1083-L1165 WeakPolarHBondContact CG-O 3.22Å; R1157-L1165 HydrophobicContact CB-CB 4.33Å; R1157-L1165 PolarHBondContact N-O 3.41Å; R1157-L1165 PolarHBondContact O-N 3.26Å |
| 1166 | S | 72.5 | Confident | 74 | Confident | 70 Ų | 70 | 59.3 Ų | 59.3 | 49% | 0.49 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 133.2 | 179.7 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | E1164 | E1164-S1166 PolarHBondContact O-N 2.94Å |
| 1167 | G | 77.4 | Confident | 73 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 6% | 0.062 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 167.7 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1155 | A1155-G1167 WeakPolarHBondContact O-CA 3.24Å; A1155-G1167 PolarHBondContact O-N 3.38Å |
| 1168 | P | 79.4 | Confident | 71.3 | Confident | 74 Ų | 74 | 71.6 Ų | 71.6 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 149.4 | -177.3 | 17 | -22 | 0 | 0 | 0 | 114.4 | P1085 | P1085-P1168 HydrophobicContact CB-CG 4.02Å; P1085-P1168 HydrophobicContact CG-CG 4.34Å |
| 1169 | Y | 79.2 | Confident | 69.6 | Low | 88 Ų | 88 | 80 Ų | 80 | 35% | 0.345 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 152.3 | 177 | -78.2 | -91.4 | 0 | 0 | 0 | 113.2 | Q1119 R1152 C1154 | Q1119-Y1169 HydrophobicContact CG-CE1 3.93Å; Q1119-Y1169 PolarHBondContact NE2-OH 3.33Å; Q1119-Y1169 VanDerWaalsContact NE2-OH 3.11Å; R1152-Y1169 HydrophobicContact CG-CD1 4.46Å; C1154-Y1169 HydrophobicContact CB-CD1 3.53Å; C1154-Y1169 HydrophobicContact CB-CD2 3.91Å; C1154-Y1169 HydrophobicContact CB-CE1 3.72Å; C1154-Y1169 HydrophobicContact CB-CE2 4.09Å; C1154-Y1169 HydrophobicContact CB-CG 3.62Å; C1154-Y1169 VanDerWaalsContact SG-CZ 3.58Å |
| 1170 | S | 81.3 | Confident | 68.2 | Low | 10 Ų | 10 | 84.5 Ų | 84.5 | 7% | 0.07 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 170.2 | -179.9 | 81.2 | 0 | 0 | 0 | 0 | 114.1 | V1086 K1087 V1153 | V1086-S1170 WeakPolarHBondContact O-CB 3.48Å; K1087-S1170 WeakPolarHBondContact O-CB 3.18Å; K1087-S1170 PolarHBondContact O-OG 3.21Å; V1153-S1170 WeakPolarHBondContact CG1-OG 3.08Å; V1153-S1170 PolarHBondContact N-OG 2.97Å; V1153-S1170 WeakPolarHBondContact O-CB 3.34Å; V1153-S1170 PolarHBondContact O-N 2.87Å; V1153-S1170 PolarHBondContact O-OG 3.25Å |
| 1171 | P | 76.3 | Confident | 66.5 | Low | 85 Ų | 85 | 84.7 Ų | 84.7 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 167.8 | 176 | -18.1 | 32.3 | 0 | 0 | 0 | 113.9 | A1088 | A1088-P1171 HydrophobicContact CB-CB 4.08Å; A1088-P1171 HydrophobicContact CB-CG 4.41Å |
| 1172 | T | 78.1 | Confident | 64.6 | Low | 59 Ų | 59 | 84 Ų | 84 | 36% | 0.362 | 48% | 0.475 | S | S | . | . | trans | -109.2 | 145.9 | -168.6 | -53.7 | 0 | 0 | 0 | 0 | 113.7 | F1127 R1150 F1151 | F1127-T1172 HydrophobicContact CE1-CG2 3.94Å; F1127-T1172 HydrophobicContact CZ-CG2 3.71Å; F1127-T1172 WeakPolarHBondContact CZ-OG1 3.46Å; R1150-T1172 HydrophobicContact CB-CG2 3.79Å; R1150-T1172 HydrophobicContact CG-CG2 4.02Å; F1151-T1172 WeakPolarHBondContact O-CA 3.34Å; F1151-T1172 WeakPolarHBondContact O-CG2 3.19Å | ||
| 1173 | V | 78.3 | Confident | 62.9 | Low | 48 Ų | 48 | 86.7 Ų | 86.7 | 29% | 0.291 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 154.2 | 175.1 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | P1089 V1091 R1150 F1151 | P1089-V1173 VanDerWaalsContact O-CG2 3.23Å; P1089-V1173 WeakPolarHBondContact O-CG2 3.44Å; V1091-V1173 HydrophobicContact CB-CG1 4.48Å; V1091-V1173 HydrophobicContact CG2-CG1 3.84Å; R1150-V1173 CarbonylContact C-O 3.52Å; R1150-V1173 WeakPolarHBondContact CA-O 3.2Å; F1151-V1173 PolarHBondContact N-O 3.34Å; F1151-V1173 PolarHBondContact O-N 3.08Å; F1151-V1173 VanDerWaalsContact O-N 3.07Å |
| 1174 | T | 77.6 | Confident | 60.9 | Low | 78 Ų | 78 | 87.9 Ų | 87.9 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 154.9 | -168.5 | -45.9 | 0 | 0 | 0 | 0 | 113.9 | Y1149 R1150 | Y1149-T1174 CarbonylContact O-C 3.54Å; Y1149-T1174 WeakPolarHBondContact O-CA 3.16Å; R1150-T1174 HydrophobicContact CG-CG2 3.89Å; R1150-T1174 WeakPolarHBondContact CG-OG1 3.5Å |
| 1175 | L | 68.8 | Low | 58.5 | Low | 32 Ų | 32 | 88.2 Ų | 88.2 | 17% | 0.168 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 143.3 | 175.6 | -177.4 | 71.9 | 0 | 0 | 0 | 111.7 | V1091 C1099 L1143 D1148 Y1149 | V1091-L1175 HydrophobicContact CG1-CD2 4.38Å; C1099-L1175 HydrophobicContact CB-CD2 3.96Å; L1143-L1175 HydrophobicContact CD1-CD2 4.07Å; D1148-L1175 CarbonylContact C-O 3.58Å; D1148-L1175 WeakPolarHBondContact CA-O 3.43Å; Y1149-L1175 PolarHBondContact N-O 2.91Å; Y1149-L1175 PolarHBondContact O-N 3.37Å |
| 1176 | S | 64.2 | Low | 56.3 | Low | 63 Ų | 63 | 89.6 Ų | 89.6 | 44% | 0.441 | 55% | 0.552 | S | S | . | * | trans | -141.7 | 175.6 | -171.1 | -43.1 | 0 | 0 | 0 | 0 | 115.3 | R1093 D1148 | R1093-S1176 PolarHBondContact NH1-O 3.36Å; D1148-S1176 VanDerWaalsContact CG-OG 3.22Å; D1148-S1176 VanDerWaalsContact OD1-CA 3.29Å; D1148-S1176 WeakPolarHBondContact OD1-CA 3.45Å; D1148-S1176 VanDerWaalsContact OD1-CB 3.25Å; D1148-S1176 WeakPolarHBondContact OD1-CB 3.37Å; D1148-S1176 PolarHBondContact OD1-OG 2.79Å; D1148-S1176 WeakPolarHBondContact OD2-CB 3.08Å; D1148-S1176 PolarHBondContact OD2-OG 3.21Å | ||
| 1177 | Q | 57.9 | Low | 54.2 | Low | 67 Ų | 67 | 89.3 Ų | 89.3 | 31% | 0.313 | 56% | 0.561 | S | S | . | * | trans | -141.5 | 159.2 | 174.5 | -87.3 | -174.9 | -18.9 | 0 | 0 | 113.3 | E1096 | E1096-Q1177 PolarHBondContact O-NE2 2.82Š| ||
| 1178 | Q | 46.7 | Very low | 52.3 | Low | 203 Ų | 203 | 96 Ų | 96 | 95% | 0.949 | 60% | 0.601 | S | S | * | * | trans | -125.4 | 159.1 | -177.8 | -72.1 | -171.7 | -55.7 | 0 | 0 | 114.6 | ||||
| 1179 | R | 40.4 | Very low | 50.6 | Low | 245 Ų | 245 | 97.5 Ų | 97.5 | 93% | 0.925 | 62% | 0.619 | S | S | * | * | trans | -136.9 | 165.9 | 166.2 | -154 | -179.3 | -168.2 | -173.4 | 4.7 | 109.2 | ||||
| 1180 | S | 39.1 | Very low | 48.6 | Very low | 100 Ų | 100 | 96.9 Ų | 96.9 | 70% | 0.699 | 64% | 0.639 | S | S | * | * | trans | -76.1 | 149 | -172 | 52.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1181 | D | 30 | Very low | 47.3 | Very low | 162 Ų | 162 | 103.2 Ų | 103.2 | 87% | 0.866 | 68% | 0.68 | S | S | * | * | trans | 77.1 | 145.1 | 161.3 | -73.1 | -35.1 | 0 | 0 | 0 | 122.7 | ||||
| 1182 | A | 26.8 | Very low | 45.5 | Very low | 80 Ų | 80 | 103.1 Ų | 103.1 | 66% | 0.661 | 70% | 0.695 | S | S | * | * | trans | 69.2 | 116.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1183 | T | 26.7 | Very low | 43.7 | Very low | 143 Ų | 143 | 105.8 Ų | 105.8 | 88% | 0.877 | 72% | 0.716 | S | S | * | * | trans | 62.8 | 162.7 | 141.5 | 54.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1184 | A | 25.7 | Very low | 41.9 | Very low | 93 Ų | 93 | 114.1 Ų | 114.1 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | cis | -177.1 | 129 | -39.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1185 | G | 26.3 | Very low | 40.3 | Very low | 90 Ų | 90 | 117 Ų | 117 | 93% | 0.928 | 76% | 0.76 | S | S | * | * | trans | 68.3 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1186 | G | 29.6 | Very low | 38.7 | Very low | 85 Ų | 85 | 118.8 Ų | 118.8 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | cis | 153.9 | 135 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1187 | G | 29.3 | Very low | 37.5 | Very low | 64 Ų | 64 | 122.2 Ų | 122.2 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | trans | 126 | 120.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1188 | T | 36.3 | Very low | 36.8 | Very low | 147 Ų | 147 | 126.9 Ų | 126.9 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | 81.7 | 141.4 | 58.2 | 58.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1189 | A | 43.8 | Very low | 36.5 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | cis | -175.8 | 158.1 | -20.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1190 | G | 36.7 | Very low | 36.4 | Very low | 75 Ų | 75 | 116.6 Ų | 116.6 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 167.4 | 149.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1191 | P | 54.8 | Low | 36.3 | Very low | 143 Ų | 143 | 122.4 Ų | 122.4 | 93% | 0.929 | 81% | 0.808 | S | S | * | * | trans | -132.1 | 169.7 | -148.3 | 37 | -17.7 | 0 | 0 | 0 | 121.5 | ||||
| 1192 | G | 38.7 | Very low | 36.7 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -159.4 | -169.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1193 | S | 39.1 | Very low | 37.1 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -167.6 | 175.4 | -166.5 | -141.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1194 | R | 42.2 | Very low | 37.4 | Very low | 224 Ų | 224 | 127.4 Ų | 127.4 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | cis | -179.7 | 169.4 | -26.6 | -97 | -175.7 | -179.7 | -157.2 | -0.7 | 106.9 | ||||
| 1195 | T | 42.9 | Very low | 38.5 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | cis | -164.1 | -175.4 | -9.5 | 21.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1196 | G | 36.2 | Very low | 38.9 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | cis | 137.8 | 148.8 | 10.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1197 | T | 39.3 | Very low | 40.3 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | cis | -162.7 | -167.5 | -1.5 | 47.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1198 | E | 41.1 | Very low | 41.6 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | cis | -172.4 | -167.9 | -11.8 | -117.2 | -165.3 | -105 | 0 | 0 | 107.6 | ||||
| 1199 | S | 40.5 | Very low | 42.3 | Very low | 85 Ų | 85 | 139 Ų | 139 | 59% | 0.594 | 80% | 0.796 | S | S | * | * | cis | -173.7 | 174.9 | -36.1 | 63 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1200 | I | 38.9 | Very low | 42.6 | Very low | 146 Ų | 146 | 142 Ų | 142 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | cis | -170.8 | 158.6 | -24.4 | -98.6 | 171.8 | 0 | 0 | 0 | 113.1 | ||||
| 1201 | R | 37.9 | Very low | 43.4 | Very low | 222 Ų | 222 | 143.1 Ų | 143.1 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | 94.4 | 110.7 | 152.7 | -97.6 | 172.2 | -173.1 | -178.5 | 2.8 | 128.4 | ||||
| 1202 | T | 37 | Very low | 43.7 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | 63.3 | 172.7 | 133.3 | 56.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1203 | R | 35 | Very low | 44.8 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | cis | -162.6 | 154.5 | 5.8 | -146.7 | -167.2 | -166 | -156 | 15.1 | 116.2 | ||||
| 1204 | Q | 34.3 | Very low | 45.8 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | 67.4 | 173.1 | 151 | -101 | 170.3 | -28.1 | 0 | 0 | 124.7 | ||||
| 1205 | S | 47.7 | Very low | 47 | Very low | 110 Ų | 110 | 139.1 Ų | 139.1 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -149.3 | 160.2 | -139.5 | 57.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1206 | L | 36.5 | Very low | 48.4 | Very low | 173 Ų | 173 | 139 Ų | 139 | 91% | 0.906 | 74% | 0.74 | S | S | * | * | trans | -150.5 | 169.4 | 162.3 | -100.6 | 165.3 | 0 | 0 | 0 | 110.4 | ||||
| 1207 | T | 58.9 | Low | 49.9 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 73% | 0.73 | 74% | 0.735 | S | S | * | * | trans | -134.4 | 164.2 | -168.8 | 49.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1208 | D | 54.9 | Low | 51.6 | Low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -23.2 | -150 | -54.4 | -73.8 | 0 | 0 | 0 | 119.3 | Q1210 C1211 | D1208-Q1210 PolarHBondContact O-N 3.05Å; D1208-C1211 PolarHBondContact O-N 3.5Å; D1208-C1211 VanDerWaalsContact O-N 3.15Å |
| 1209 | E | 51.9 | Low | 53.2 | Low | 179 Ų | 179 | 138.3 Ų | 138.3 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -61.8 | -26.5 | -163 | -64.6 | -176.2 | 138.7 | 0 | 0 | 114.9 | C1211 | E1209-C1211 VanDerWaalsContact C-N 3.26Å; E1209-C1211 PolarHBondContact O-N 3.22Å |
| 1210 | Q | 49.8 | Very low | 54.5 | Low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -65.7 | -23.3 | -179.9 | -69.2 | -79.8 | -65.6 | 0 | 0 | 113.6 | D1208 | D1208-Q1210 PolarHBondContact O-N 3.05Å |
| 1211 | C | 53.4 | Low | 56.2 | Low | 98 Ų | 98 | 134.1 Ų | 134.1 | 66% | 0.662 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -83.8 | -26 | -175.3 | -68.6 | 0 | 0 | 0 | 0 | 113.9 | D1208 E1209 | D1208-C1211 PolarHBondContact O-N 3.5Å; D1208-C1211 VanDerWaalsContact O-N 3.15Å; E1209-C1211 VanDerWaalsContact C-N 3.26Å; E1209-C1211 PolarHBondContact O-N 3.22Å |
| 1212 | A | 60.4 | Low | 58 | Low | 67 Ų | 67 | 127.6 Ų | 127.6 | 55% | 0.554 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -74.3 | -35.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1214 | A1212-L1214 PolarHBondContact O-N 3.38Å |
| 1213 | F | 62.6 | Low | 59.6 | Low | 161 Ų | 161 | 124.4 Ų | 124.4 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.8 | -35.1 | -171.7 | -161.6 | -95.3 | 0 | 0 | 0 | 113.3 | L1215 L1216 | F1213-L1215 PolarHBondContact O-N 2.95Å; F1213-L1216 PolarHBondContact O-N 2.75Å |
| 1214 | L | 59.5 | Low | 61.5 | Low | 135 Ų | 135 | 119.6 Ų | 119.6 | 71% | 0.707 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.9 | -32 | -178.6 | -88.3 | 162.1 | 0 | 0 | 0 | 113.6 | A1212 | A1212-L1214 PolarHBondContact O-N 3.38Å |
| 1215 | L | 68.3 | Low | 63.3 | Low | 118 Ų | 118 | 117.6 Ų | 117.6 | 62% | 0.618 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71 | -35.2 | 179.7 | -81.4 | 162 | 0 | 0 | 0 | 112.6 | F1213 M1217 V1218 F1219 | F1213-L1215 PolarHBondContact O-N 2.95Å; L1215-M1217 PolarHBondContact O-N 3.37Å; L1215-V1218 PolarHBondContact O-N 3.21Å; L1215-F1219 WeakPolarHBondContact O-CD2 3.43Å |
| 1216 | L | 71.4 | Confident | 64.6 | Low | 134 Ų | 134 | 117 Ų | 117 | 70% | 0.702 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.5 | -38.1 | -174.3 | -114.6 | 162.8 | 0 | 0 | 0 | 113 | F1213 V1218 | F1213-L1216 PolarHBondContact O-N 2.75Å; L1216-V1218 VanDerWaalsContact C-N 3.32Å; L1216-V1218 PolarHBondContact O-N 2.77Å |
| 1217 | M | 68.6 | Low | 66.1 | Low | 125 Ų | 125 | 111.5 Ų | 111.5 | 62% | 0.616 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.8 | -32.4 | 179.5 | -72.7 | -69.9 | -74 | 0 | 0 | 113.3 | L1215 | L1215-M1217 PolarHBondContact O-N 3.37Å |
| 1218 | V | 74.5 | Confident | 66.7 | Low | 85 Ų | 85 | 112.5 Ų | 112.5 | 52% | 0.515 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.7 | -41.4 | -175.8 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | L1215 L1216 A1220 I1222 | L1215-V1218 PolarHBondContact O-N 3.21Å; L1216-V1218 VanDerWaalsContact C-N 3.32Å; L1216-V1218 PolarHBondContact O-N 2.77Å; V1218-A1220 PolarHBondContact O-N 3.33Å; V1218-I1222 HydrophobicContact CG1-CD1 4.2Å |
| 1219 | F | 74.8 | Confident | 67.5 | Low | 147 Ų | 147 | 110.1 Ų | 110.1 | 65% | 0.645 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.9 | -33.4 | -179.3 | -79.1 | -79.7 | 0 | 0 | 0 | 113.2 | L1215 V1221 I1222 A1223 | L1215-F1219 WeakPolarHBondContact O-CD2 3.43Å; F1219-V1221 PolarHBondContact O-N 3.02Å; F1219-I1222 PolarHBondContact O-N 2.93Å; F1219-A1223 PolarHBondContact O-N 2.83Å |
| 1220 | A | 68.8 | Low | 68.4 | Low | 55 Ų | 55 | 106.8 Ų | 106.8 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.1 | -41.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1218 A1223 I1224 | V1218-A1220 PolarHBondContact O-N 3.33Å; A1220-A1223 PolarHBondContact O-N 2.8Å; A1220-I1224 PolarHBondContact O-N 2.86Å |
| 1221 | V | 73.9 | Confident | 68.7 | Low | 87 Ų | 87 | 104.6 Ų | 104.6 | 53% | 0.527 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.1 | -37.9 | 180 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | F1219 I1224 L1225 | F1219-V1221 PolarHBondContact O-N 3.02Å; V1221-I1224 PolarHBondContact O-N 2.94Å; V1221-L1225 HydrophobicContact CG1-CD1 4.37Å; V1221-L1225 PolarHBondContact O-N 2.9Å |
| 1222 | I | 75.9 | Confident | 69 | Low | 86 Ų | 86 | 107.6 Ų | 107.6 | 44% | 0.441 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.4 | -40.5 | 179.7 | -64.9 | 168.7 | 0 | 0 | 0 | 111 | V1218 F1219 I1224 L1225 I1226 | V1218-I1222 HydrophobicContact CG1-CD1 4.2Å; F1219-I1222 PolarHBondContact O-N 2.93Å; I1222-I1224 PolarHBondContact O-N 2.78Å; I1222-L1225 PolarHBondContact O-N 2.59Å; I1222-I1226 HydrophobicContact CG2-CD1 4Å; I1222-I1226 WeakPolarHBondContact O-CG1 3.29Å; I1222-I1226 PolarHBondContact O-N 2.86Å |
| 1223 | A | 70.5 | Confident | 69.1 | Low | 62 Ų | 62 | 112 Ų | 112 | 51% | 0.512 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.2 | -40.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1219 A1220 I1226 A1227 | F1219-A1223 PolarHBondContact O-N 2.83Å; A1220-A1223 PolarHBondContact O-N 2.8Å; A1223-I1226 PolarHBondContact O-N 2.74Å; A1223-A1227 PolarHBondContact O-N 2.9Å |
| 1224 | I | 75.5 | Confident | 69.1 | Low | 107 Ų | 107 | 109.9 Ų | 109.9 | 55% | 0.549 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.9 | -40 | 179.8 | -64.4 | 168.3 | 0 | 0 | 0 | 111.2 | A1220 V1221 I1222 I1226 A1227 F1228 | A1220-I1224 PolarHBondContact O-N 2.86Å; V1221-I1224 PolarHBondContact O-N 2.94Å; I1222-I1224 PolarHBondContact O-N 2.78Å; I1224-I1226 PolarHBondContact O-N 2.81Å; I1224-A1227 PolarHBondContact O-N 3.07Å; I1224-F1228 HydrophobicContact CG2-CD2 4.35Å; I1224-F1228 HydrophobicContact CG2-CE2 4.48Å; I1224-F1228 PolarHBondContact O-N 3.21Å |
| 1225 | L | 71.4 | Confident | 68.8 | Low | 112 Ų | 112 | 110 Ų | 110 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.6 | -39.3 | 176.7 | -78.8 | 164.1 | 0 | 0 | 0 | 112.5 | V1221 I1222 F1228 V1229 | V1221-L1225 HydrophobicContact CG1-CD1 4.37Å; V1221-L1225 PolarHBondContact O-N 2.9Å; I1222-L1225 PolarHBondContact O-N 2.59Å; L1225-F1228 PolarHBondContact O-N 2.66Å; L1225-V1229 WeakPolarHBondContact O-CG2 3.31Å; L1225-V1229 PolarHBondContact O-N 2.66Å |
| 1226 | I | 75.1 | Confident | 67.7 | Low | 97 Ų | 97 | 115.5 Ų | 115.5 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.2 | -39.8 | 177.7 | -66.9 | 166.8 | 0 | 0 | 0 | 111 | I1222 A1223 I1224 F1228 V1229 I1230 | I1222-I1226 HydrophobicContact CG2-CD1 4Å; I1222-I1226 WeakPolarHBondContact O-CG1 3.29Å; I1222-I1226 PolarHBondContact O-N 2.86Å; A1223-I1226 PolarHBondContact O-N 2.74Å; I1224-I1226 PolarHBondContact O-N 2.81Å; I1226-F1228 PolarHBondContact O-N 3.05Å; I1226-V1229 PolarHBondContact O-N 3.12Å; I1226-I1230 HydrophobicContact CG2-CD1 3.97Å; I1226-I1230 WeakPolarHBondContact O-CG1 3.31Å; I1226-I1230 PolarHBondContact O-N 3.11Å; I1226-I1230 VanDerWaalsContact O-N 3.13Å |
| 1227 | A | 68.9 | Low | 67.5 | Low | 57 Ų | 57 | 114.6 Ų | 114.6 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.8 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1223 I1224 V1229 I1230 Q1231 | A1223-A1227 PolarHBondContact O-N 2.9Å; I1224-A1227 PolarHBondContact O-N 3.07Å; A1227-V1229 PolarHBondContact O-N 2.98Å; A1227-I1230 PolarHBondContact O-N 3.28Å; A1227-Q1231 PolarHBondContact O-N 2.92Å; A1227-Q1231 VanDerWaalsContact O-N 3.1Å |
| 1228 | F | 70.2 | Confident | 67.4 | Low | 141 Ų | 141 | 114.1 Ų | 114.1 | 62% | 0.618 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.6 | -38.5 | 176.1 | -95.5 | -80.3 | 0 | 0 | 0 | 113.2 | I1224 L1225 I1226 Q1231 Y1232 | I1224-F1228 HydrophobicContact CG2-CD2 4.35Å; I1224-F1228 HydrophobicContact CG2-CE2 4.48Å; I1224-F1228 PolarHBondContact O-N 3.21Å; L1225-F1228 PolarHBondContact O-N 2.66Å; I1226-F1228 PolarHBondContact O-N 3.05Å; F1228-Q1231 PolarHBondContact O-N 3.16Å; F1228-Y1232 PolarHBondContact O-N 2.7Å |
| 1229 | V | 72.3 | Confident | 67.1 | Low | 90 Ų | 90 | 115.7 Ų | 115.7 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.7 | -40.5 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L1225 I1226 A1227 Y1232 | L1225-V1229 WeakPolarHBondContact O-CG2 3.31Å; L1225-V1229 PolarHBondContact O-N 2.66Å; I1226-V1229 PolarHBondContact O-N 3.12Å; A1227-V1229 PolarHBondContact O-N 2.98Å; V1229-Y1232 PolarHBondContact O-N 3.29Å |
| 1230 | I | 70.6 | Confident | 66.6 | Low | 109 Ų | 109 | 113.8 Ų | 113.8 | 56% | 0.559 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.3 | -42 | 176.8 | -66.6 | 167.5 | 0 | 0 | 0 | 110.7 | I1226 A1227 Y1232 F1233 | I1226-I1230 HydrophobicContact CG2-CD1 3.97Å; I1226-I1230 WeakPolarHBondContact O-CG1 3.31Å; I1226-I1230 PolarHBondContact O-N 3.11Å; I1226-I1230 VanDerWaalsContact O-N 3.13Å; A1227-I1230 PolarHBondContact O-N 3.28Å; I1230-Y1232 VanDerWaalsContact C-N 3.28Å; I1230-Y1232 PolarHBondContact O-N 2.66Å; I1230-F1233 PolarHBondContact O-N 3.25Å |
| 1231 | Q | 55.4 | Low | 66.5 | Low | 124 Ų | 124 | 117.5 Ų | 117.5 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.7 | -29.2 | 179.9 | -160.1 | 174.9 | 22.5 | 0 | 0 | 113.1 | A1227 F1228 | A1227-Q1231 PolarHBondContact O-N 2.92Å; A1227-Q1231 VanDerWaalsContact O-N 3.1Å; F1228-Q1231 PolarHBondContact O-N 3.16Å |
| 1232 | Y | 60.5 | Low | 66 | Low | 161 Ų | 161 | 119.5 Ų | 119.5 | 63% | 0.631 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.5 | -25.1 | 178.3 | -172.9 | -100.6 | 0 | 0 | 0 | 114 | F1228 V1229 I1230 | F1228-Y1232 PolarHBondContact O-N 2.7Å; V1229-Y1232 PolarHBondContact O-N 3.29Å; I1230-Y1232 VanDerWaalsContact C-N 3.28Å; I1230-Y1232 PolarHBondContact O-N 2.66Å |
| 1233 | F | 62.7 | Low | 65.3 | Low | 159 Ų | 159 | 121.9 Ų | 121.9 | 70% | 0.697 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -2.5 | -176.2 | -90.5 | -81.2 | 0 | 0 | 0 | 115.1 | I1230 | I1230-F1233 PolarHBondContact O-N 3.25Š|
| 1234 | V | 62.5 | Low | 64.8 | Low | 116 Ų | 116 | 126.5 Ų | 126.5 | 70% | 0.703 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -103.9 | -5.1 | -176.9 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1235 | I | 52.3 | Low | 64 | Low | 137 Ų | 137 | 128.2 Ų | 128.2 | 70% | 0.703 | 63% | 0.634 | S | S | * | * | trans | -123.1 | 41.9 | -176.1 | -40.8 | -178.2 | 0 | 0 | 0 | 110.6 | ||||
| 1236 | K | 45.7 | Very low | 63.3 | Low | 235 Ų | 235 | 129.6 Ų | 129.6 | 100% | 1.022 | 64% | 0.639 | S | S | * | * | trans | -155.1 | 0 | 175.2 | -112 | -175 | -179.7 | -178.7 | 0 | 112.3 |
Retrieved 1,236 of 1,236 residues in 1657.1 ms
(Link to these results)