| 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 | 34.9 | Very low | 34.7 | Very low | 229 Ų | 229 | 176.5 Ų | 176.5 | 100% | 1.128 | 76% | 0.762 | S | S | * | * | 0 | 105.9 | 0 | -91.9 | 172.5 | 154.8 | 0 | 0 | 108.3 | |||||
| 2 | Y | 25.7 | Very low | 35 | Very low | 210 Ų | 210 | 174.2 Ų | 174.2 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | -139.6 | 134.1 | 167.5 | -85.6 | -83.4 | 0 | 0 | 0 | 111.7 | H4 | Y2-H4 PolarHBondContact O-N 3.15Š| ||
| 3 | P | 36.1 | Very low | 35 | Very low | 101 Ų | 101 | 171.1 Ų | 171.1 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | trans | -98.9 | 10.4 | -149.7 | -0.7 | 24.9 | 0 | 0 | 0 | 113.7 | W5 | P3-W5 PolarHBondContact O-N 3.15Š| ||
| 4 | H | 31 | Very low | 35.1 | Very low | 140 Ų | 140 | 163 Ų | 163 | 65% | 0.648 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -79.6 | -12.9 | -167.8 | -66.1 | -76.8 | 0 | 0 | 0 | 115 | Y2 R6 | Y2-H4 PolarHBondContact O-N 3.15Å; H4-R6 VanDerWaalsContact C-N 3.35Å; H4-R6 PolarHBondContact O-N 2.74Å |
| 5 | W | 32.5 | Very low | 35.3 | Very low | 223 Ų | 223 | 164.2 Ų | 164.2 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -78.5 | -18.9 | -177.6 | -72.2 | 58.4 | 0 | 0 | 0 | 113.2 | P3 | P3-W5 PolarHBondContact O-N 3.15Š|
| 6 | R | 37.2 | Very low | 35.3 | Very low | 224 Ų | 224 | 164.1 Ų | 164.1 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -85.7 | -15 | -179.2 | -73.8 | -172 | 173.5 | -164.9 | -1.5 | 114.4 | H4 | H4-R6 VanDerWaalsContact C-N 3.35Å; H4-R6 PolarHBondContact O-N 2.74Å |
| 7 | W | 33.4 | Very low | 34.9 | Very low | 199 Ų | 199 | 165.1 Ų | 165.1 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -75.3 | -31.4 | -179.3 | -156.2 | -64.2 | 0 | 0 | 0 | 112.7 | ||
| 8 | N | 38.9 | Very low | 34.5 | Very low | 122 Ų | 122 | 167 Ų | 167 | 65% | 0.652 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -81.4 | -16.2 | -176 | -77.9 | -26.3 | 0 | 0 | 0 | 114.6 | ||
| 9 | Y | 35.4 | Very low | 34.2 | Very low | 185 Ų | 185 | 164.7 Ų | 164.7 | 73% | 0.725 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -78.1 | -36.1 | -178.4 | -156.4 | -97.8 | 0 | 0 | 0 | 112.6 | ||
| 10 | R | 38.5 | Very low | 33.7 | Very low | 219 Ų | 219 | 167.1 Ų | 167.1 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -79 | -27.1 | 179.4 | -85.8 | -177.5 | 170.7 | 174.4 | -3.2 | 114 | ||
| 11 | N | 38.6 | Very low | 33.4 | Very low | 90 Ų | 90 | 166.6 Ų | 166.6 | 48% | 0.481 | 76% | 0.759 | S | S | . | * | H | α-helix | trans | -82.9 | -15.1 | 178.8 | -86.9 | -13.3 | 0 | 0 | 0 | 114.5 | ||
| 12 | R | 38 | Very low | 32.8 | Very low | 148 Ų | 148 | 167.4 Ų | 167.4 | 56% | 0.558 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -77.4 | -32.2 | -179 | -133.4 | 175.7 | -175.6 | -167.1 | -2.2 | 113.1 | N216 | R12-N216 PolarHBondContact NH1-O 3Å; R12-N216 PolarHBondContact NH2-O 3.36Å |
| 13 | L | 35.3 | Very low | 32.8 | Very low | 134 Ų | 134 | 161.7 Ų | 161.7 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -77.8 | -20.6 | 176.3 | -77.5 | 154.9 | 0 | 0 | 0 | 113 | ||
| 14 | G | 36.2 | Very low | 32.3 | Very low | 58 Ų | 58 | 162 Ų | 162 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -84.3 | -15.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 15 | K | 37.5 | Very low | 31.9 | Very low | 181 Ų | 181 | 163.1 Ų | 163.1 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -102.9 | 3.7 | -174 | -68.6 | -168.5 | 176.8 | -171.6 | 0 | 115 | ||
| 16 | Q | 35 | Very low | 31.6 | Very low | 163 Ų | 163 | 158.4 Ų | 158.4 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -91.4 | 8.8 | 174.1 | -76.2 | -170.3 | -24.2 | 0 | 0 | 114.1 | ||
| 17 | K | 29.6 | Very low | 31 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -110.4 | 124.2 | 174.3 | -80.5 | -179.7 | 173.9 | 177.8 | 0 | 109.6 | ||
| 18 | K | 27.9 | Very low | 30.7 | Very low | 200 Ų | 200 | 149 Ų | 149 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | trans | 84.5 | 106.4 | 177.2 | -49.3 | 168.1 | -177.7 | -175.2 | 0 | 110.3 | ||||
| 19 | V | 27.2 | Very low | 29.9 | Very low | 123 Ų | 123 | 148 Ų | 148 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | -151.4 | 124.8 | 77.5 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | L21 | V19-L21 HydrophobicContact CG1-CD1 4.15Å; V19-L21 HydrophobicContact CG1-CG 3.82Å | |||
| 20 | K | 25.6 | Very low | 29.5 | Very low | 212 Ų | 212 | 143.9 Ų | 143.9 | 92% | 0.922 | 75% | 0.747 | S | S | * | * | trans | -80.3 | 111.3 | 161.2 | -101.2 | 177.4 | 172.6 | 175.7 | 0 | 107.1 | ||||
| 21 | L | 26.8 | Very low | 28.9 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -104.8 | 111.3 | 163.5 | -86.2 | 162.5 | 0 | 0 | 0 | 108.2 | V19 | V19-L21 HydrophobicContact CG1-CD1 4.15Å; V19-L21 HydrophobicContact CG1-CG 3.82Å | ||
| 22 | R | 22.9 | Very low | 28.4 | Very low | 245 Ų | 245 | 146.9 Ų | 146.9 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | -71.2 | 123.5 | 162.8 | -76.9 | 177.6 | 161.6 | 171.7 | -6.3 | 107.2 | ||||
| 23 | S | 25.6 | Very low | 27.8 | Very low | 90 Ų | 90 | 144.2 Ų | 144.2 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | -139.9 | 98.1 | 157.8 | 70.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 24 | S | 24.7 | Very low | 27.4 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -67.7 | 135.3 | 147.7 | 49 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 25 | L | 23.8 | Very low | 26.9 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | 85.5 | 78.2 | -179.9 | -51.7 | 157.7 | 0 | 0 | 0 | 114.8 | ||||
| 26 | V | 25.8 | Very low | 26.4 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -127.9 | 111.5 | 150.9 | -179.5 | 0 | 0 | 0 | 0 | 106.8 | A28 | V26-A28 PolarHBondContact O-N 2.99Š| ||
| 27 | V | 23.3 | Very low | 26 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -63.4 | 118.7 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 108.4 | S29 | V27-S29 PolarHBondContact O-N 3.3Š| ||
| 28 | A | 27.2 | Very low | 25.8 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -69.7 | 115.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | V26 | V26-A28 PolarHBondContact O-N 2.99Š| ||
| 29 | S | 23.6 | Very low | 25.8 | Very low | 101 Ų | 101 | 143.2 Ų | 143.2 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -60 | 136.9 | 167.6 | -155.7 | 0 | 0 | 0 | 0 | 108.5 | V27 I31 | V27-S29 PolarHBondContact O-N 3.3Å; S29-I31 PolarHBondContact O-N 3.18Å | ||
| 30 | P | 26 | Very low | 25.7 | Very low | 98 Ų | 98 | 143 Ų | 143 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | trans | -75.6 | 99.9 | -169.7 | 31.3 | -31.3 | 0 | 0 | 0 | 108.5 | Y32 | P30-Y32 VanDerWaalsContact C-N 3.28Å; P30-Y32 HydrophobicContact CB-CD2 4.34Å; P30-Y32 HydrophobicContact CB-CE2 4.29Å; P30-Y32 HydrophobicContact CG-CE2 4.21Å; P30-Y32 PolarHBondContact O-N 3.23Å; P30-Y32 VanDerWaalsContact O-N 3.1Å | ||
| 31 | I | 27 | Very low | 25.8 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -75.8 | 96.1 | 160.2 | -60.7 | 176.2 | 0 | 0 | 0 | 104.5 | S29 S33 | S29-I31 PolarHBondContact O-N 3.18Å; I31-S33 PolarHBondContact O-N 3.47Å | ||
| 32 | Y | 27.1 | Very low | 25.9 | Very low | 206 Ų | 206 | 137.5 Ų | 137.5 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -52.2 | 103.7 | 170.9 | -83.3 | -99.9 | 0 | 0 | 0 | 109 | P30 | P30-Y32 VanDerWaalsContact C-N 3.28Å; P30-Y32 HydrophobicContact CB-CD2 4.34Å; P30-Y32 HydrophobicContact CB-CE2 4.29Å; P30-Y32 HydrophobicContact CG-CE2 4.21Å; P30-Y32 PolarHBondContact O-N 3.23Å; P30-Y32 VanDerWaalsContact O-N 3.1Å | ||
| 33 | S | 25.1 | Very low | 26.3 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | trans | -80.9 | 118.3 | 163.1 | 48.5 | 0 | 0 | 0 | 0 | 107.7 | I31 I35 | I31-S33 PolarHBondContact O-N 3.47Å; S33-I35 PolarHBondContact O-N 3.45Å; S33-I35 VanDerWaalsContact O-N 3.08Å | ||
| 34 | P | 28.6 | Very low | 26.7 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | trans | -66.4 | 114.3 | 167.2 | 26.9 | -28.4 | 0 | 0 | 0 | 107 | I36 | P34-I36 PolarHBondContact O-N 3.41Å; P34-I36 VanDerWaalsContact O-N 3.14Å | ||
| 35 | I | 25.6 | Very low | 27 | Very low | 144 Ų | 144 | 138 Ų | 138 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -63.6 | 110 | 172.4 | -65.1 | 169.3 | 0 | 0 | 0 | 105.8 | S33 E37 | S33-I35 PolarHBondContact O-N 3.45Å; S33-I35 VanDerWaalsContact O-N 3.08Å; I35-E37 VanDerWaalsContact C-N 3.34Å; I35-E37 HydrophobicContact CG2-CG 4.29Å; I35-E37 PolarHBondContact O-N 2.98Å; I35-E37 VanDerWaalsContact O-N 3.09Å | ||
| 36 | I | 25.4 | Very low | 27.4 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -76.7 | 91.6 | 172.3 | -59.3 | 171.6 | 0 | 0 | 0 | 105.9 | P34 Q38 | P34-I36 PolarHBondContact O-N 3.41Å; P34-I36 VanDerWaalsContact O-N 3.14Å; I36-Q38 PolarHBondContact O-N 3Å; I36-Q38 VanDerWaalsContact O-N 3.13Å | ||
| 37 | E | 28.2 | Very low | 27.6 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | trans | -66.5 | 107.5 | 164 | -81.1 | -173.3 | 160.3 | 0 | 0 | 108 | I35 L39 | I35-E37 VanDerWaalsContact C-N 3.34Å; I35-E37 HydrophobicContact CG2-CG 4.29Å; I35-E37 PolarHBondContact O-N 2.98Å; I35-E37 VanDerWaalsContact O-N 3.09Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 3.15Å | ||
| 38 | Q | 24.8 | Very low | 27.8 | Very low | 177 Ų | 177 | 134.5 Ų | 134.5 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -66.9 | 90 | 168.4 | -69.1 | 179.7 | -64.4 | 0 | 0 | 108.3 | I36 S40 | I36-Q38 PolarHBondContact O-N 3Å; I36-Q38 VanDerWaalsContact O-N 3.13Å; Q38-S40 PolarHBondContact O-N 3.12Å | ||
| 39 | L | 28.1 | Very low | 28 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -74.8 | 78.5 | 168.9 | -69.1 | 175.4 | 0 | 0 | 0 | 109.5 | E37 | E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 3.15Å | ||
| 40 | S | 25.3 | Very low | 28.1 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -80.9 | 111.1 | 155.5 | 59.3 | 0 | 0 | 0 | 0 | 108.3 | Q38 | Q38-S40 PolarHBondContact O-N 3.12Š| ||
| 41 | G | 26.4 | Very low | 28.4 | Very low | 67 Ų | 67 | 146.5 Ų | 146.5 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 138.4 | 102.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 42 | E | 30.4 | Very low | 28.5 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | 75.8 | 137.1 | 156.6 | -56.1 | -154.2 | 149.4 | 0 | 0 | 119.9 | L44 | E42-L44 PolarHBondContact O-N 3.06Š| ||
| 43 | P | 30.9 | Very low | 29 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -82.9 | 114 | -175.6 | 33.4 | -29.9 | 0 | 0 | 0 | 110.1 | E45 | P43-E45 PolarHBondContact O-N 3.08Š| ||
| 44 | L | 32.8 | Very low | 29.5 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -88.2 | 86.3 | 174.8 | -129.7 | 104.1 | 0 | 0 | 0 | 110.3 | E42 T46 | E42-L44 PolarHBondContact O-N 3.06Å; L44-T46 PolarHBondContact O-N 3.05Å | ||
| 45 | E | 31.8 | Very low | 29.7 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -67.3 | 26.8 | 172 | -69.3 | -172.9 | 145.1 | 0 | 0 | 114.3 | P43 | P43-E45 PolarHBondContact O-N 3.08Š| ||
| 46 | T | 31.2 | Very low | 30.1 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -135.9 | 17.7 | -157.9 | 30.4 | 0 | 0 | 0 | 0 | 118.6 | L44 | L44-T46 PolarHBondContact O-N 3.05Š| ||
| 47 | A | 31.6 | Very low | 30.4 | Very low | 86 Ų | 86 | 146 Ų | 146 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -113.4 | -5.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 48 | L | 27.4 | Very low | 30.8 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -110.5 | 77.8 | 178.4 | -68.9 | 170.9 | 0 | 0 | 0 | 111.6 | Y50 | L48-Y50 HydrophobicContact CD2-CE2 4.32Š| ||
| 49 | K | 29.9 | Very low | 31.3 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -106.6 | 98.5 | 159.4 | -84.3 | -175.7 | 177.1 | 179.9 | 0 | 108.8 | T51 | K49-T51 PolarHBondContact O-N 3.31Š| ||
| 50 | Y | 27.3 | Very low | 31.9 | Very low | 213 Ų | 213 | 144.1 Ų | 144.1 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -68.1 | 108.5 | 162.8 | -78.2 | -92.2 | 0 | 0 | 0 | 108.3 | L48 | L48-Y50 HydrophobicContact CD2-CE2 4.32Š| ||
| 51 | T | 32.3 | Very low | 32.6 | Very low | 136 Ų | 136 | 148 Ų | 148 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -91.7 | 97.9 | 166.9 | 50.6 | 0 | 0 | 0 | 0 | 108.2 | K49 | K49-T51 PolarHBondContact O-N 3.31Š| ||
| 52 | S | 28.9 | Very low | 33.5 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -86.8 | 116 | 155.4 | 66 | 0 | 0 | 0 | 0 | 107 | ||||
| 53 | E | 37.2 | Very low | 34.1 | Very low | 195 Ų | 195 | 147 Ų | 147 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -159.1 | 136.6 | 155.3 | -111.7 | 163.8 | -148.7 | 0 | 0 | 109.6 | ||||
| 54 | E | 35 | Very low | 34.4 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -64.6 | 162.7 | -171.2 | -64.7 | 166.7 | 117.6 | 0 | 0 | 112.7 | ||||
| 55 | S | 32.3 | Very low | 35 | Very low | 111 Ų | 111 | 148.8 Ų | 148.8 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 63 | 107.9 | 159.7 | 60.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 56 | D | 33.9 | Very low | 35.5 | Very low | 153 Ų | 153 | 148 Ų | 148 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | -163.3 | 141 | 103.6 | -131.4 | -27.4 | 0 | 0 | 0 | 112.3 | |||||
| 57 | T | 33.7 | Very low | 36 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -64.5 | 118.3 | 177.1 | 26 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 58 | D | 34.7 | Very low | 36.3 | Very low | 163 Ų | 163 | 150 Ų | 150 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | 177.4 | 62.8 | 150.2 | -93.3 | -21.8 | 0 | 0 | 0 | 111.9 | ||||
| 59 | L | 36.5 | Very low | 36.7 | Very low | 170 Ų | 170 | 146.6 Ų | 146.6 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -109.4 | 128 | 167.3 | -82.7 | 163.6 | 0 | 0 | 0 | 110.2 | K61 | L59-K61 PolarHBondContact O-N 2.81Š| ||
| 60 | P | 40.1 | Very low | 37.1 | Very low | 116 Ų | 116 | 141 Ų | 141 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 132.7 | -178.3 | 28.1 | -31.6 | 0 | 0 | 0 | 109.3 | ||
| 61 | K | 39.5 | Very low | 37.8 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 124.7 | 177.8 | -141 | 172.9 | -173.8 | -179.5 | 0 | 109.4 | L59 | L59-K61 PolarHBondContact O-N 2.81Š|
| 62 | P | 45 | Very low | 38.1 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 138.3 | 172.7 | 26 | -31.2 | 0 | 0 | 0 | 109.1 | D64 | P62-D64 PolarHBondContact O-N 3.46Š|
| 63 | P | 44.4 | Very low | 38.5 | Very low | 126 Ų | 126 | 140 Ų | 140 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 130 | 178.8 | 27.4 | -31.5 | 0 | 0 | 0 | 110.2 | D65 | P63-D65 PolarHBondContact O-N 3.41Å; P63-D65 VanDerWaalsContact O-N 3.15Å |
| 64 | D | 37.7 | Very low | 38.5 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -66.4 | 98.2 | 164.1 | -74.5 | -43.9 | 0 | 0 | 0 | 108.1 | P62 | P62-D64 PolarHBondContact O-N 3.46Š| ||
| 65 | D | 44.4 | Very low | 38.6 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -166.6 | 131.9 | 153.3 | -118.3 | -25.1 | 0 | 0 | 0 | 111.7 | P63 T67 | P63-D65 PolarHBondContact O-N 3.41Å; P63-D65 VanDerWaalsContact O-N 3.15Å; D65-T67 VanDerWaalsContact C-N 3.34Å; D65-T67 PolarHBondContact O-N 2.91Å; D65-T67 PolarHBondContact O-OG1 2.78Å | ||
| 66 | D | 42.7 | Very low | 38.6 | Very low | 172 Ų | 172 | 138 Ų | 138 | 92% | 0.92 | 76% | 0.757 | S | S | * | * | trans | -54.7 | 79.5 | -176.9 | -67.7 | -49.5 | 0 | 0 | 0 | 113.3 | ||||
| 67 | T | 40.4 | Very low | 38.6 | Very low | 107 Ų | 107 | 139 Ų | 139 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | trans | -119.7 | 115.4 | -175.8 | -35 | 0 | 0 | 0 | 0 | 111.5 | D65 A69 | D65-T67 VanDerWaalsContact C-N 3.34Å; D65-T67 PolarHBondContact O-N 2.91Å; D65-T67 PolarHBondContact O-OG1 2.78Å; T67-A69 PolarHBondContact O-N 2.91Å | ||
| 68 | D | 38.6 | Very low | 38.7 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -45.9 | 128.8 | -177.6 | -87.6 | -44.3 | 0 | 0 | 0 | 113.7 | A70 E71 | D68-A70 PolarHBondContact O-N 3.05Å; D68-E71 PolarHBondContact O-N 3.27Å | ||
| 69 | A | 35.7 | Very low | 38.7 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -2.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T67 | T67-A69 PolarHBondContact O-N 2.91Š|
| 70 | A | 38.4 | Very low | 38.4 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -22.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D68 | D68-A70 PolarHBondContact O-N 3.05Š|
| 71 | E | 41.9 | Very low | 38 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -87.2 | -21.9 | 179.4 | -70.3 | -161.2 | 159 | 0 | 0 | 114.1 | D68 F73 L74 | D68-E71 PolarHBondContact O-N 3.27Å; E71-F73 VanDerWaalsContact C-N 3.29Å; E71-F73 PolarHBondContact O-N 3.3Å; E71-L74 PolarHBondContact O-N 2.87Å |
| 72 | L | 38.9 | Very low | 37.5 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -68.8 | -22.8 | 179.3 | -97.1 | 157.6 | 0 | 0 | 0 | 113.8 | ||
| 73 | F | 36.8 | Very low | 37 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 77% | 0.772 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -80.5 | -11.5 | 176.7 | -88.1 | -85.8 | 0 | 0 | 0 | 114.2 | E71 | E71-F73 VanDerWaalsContact C-N 3.29Å; E71-F73 PolarHBondContact O-N 3.3Å |
| 74 | L | 39 | Very low | 36.3 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -91.5 | -6.9 | 179.7 | -74.2 | 168 | 0 | 0 | 0 | 113.9 | E71 | E71-L74 PolarHBondContact O-N 2.87Š|
| 75 | Q | 36.2 | Very low | 35.9 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -101.7 | -5.7 | -178.4 | -73.6 | 177 | 0.2 | 0 | 0 | 114.7 | Q77 | Q75-Q77 PolarHBondContact O-N 2.99Š|
| 76 | L | 33.1 | Very low | 35.1 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | trans | -89.3 | 74.9 | 176.4 | -67.4 | 170.8 | 0 | 0 | 0 | 110.9 | ||||
| 77 | Q | 34.1 | Very low | 34.5 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -74.4 | 124.6 | 163.7 | -71.4 | -163.5 | 0.7 | 0 | 0 | 109.8 | Q75 K79 | Q75-Q77 PolarHBondContact O-N 2.99Å; Q77-K79 PolarHBondContact O-N 2.89Å | ||
| 78 | P | 33.9 | Very low | 33.9 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | -74.4 | 115.9 | 176.8 | 29.3 | -29.9 | 0 | 0 | 0 | 109.2 | V80 | P78-V80 PolarHBondContact O-N 2.75Å; P78-V80 VanDerWaalsContact O-N 3.16Å | ||
| 79 | K | 36.6 | Very low | 33.5 | Very low | 210 Ų | 210 | 144.1 Ų | 144.1 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | trans | -63.8 | 113.1 | 167.1 | -81.1 | -179.7 | 176.4 | 173.9 | 0 | 108.6 | Q77 G81 | Q77-K79 PolarHBondContact O-N 2.89Å; K79-G81 PolarHBondContact O-N 3.38Å; K79-G81 VanDerWaalsContact O-N 3.17Å | ||
| 80 | V | 29.2 | Very low | 33.4 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -56.4 | 111 | 172.4 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | P78 | P78-V80 PolarHBondContact O-N 2.75Å; P78-V80 VanDerWaalsContact O-N 3.16Å | ||
| 81 | G | 32.2 | Very low | 32.9 | Very low | 66 Ų | 66 | 146.6 Ų | 146.6 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | trans | -109.8 | 112.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | K79 K83 | K79-G81 PolarHBondContact O-N 3.38Å; K79-G81 VanDerWaalsContact O-N 3.17Å; G81-K83 PolarHBondContact O-N 3.41Å | ||
| 82 | E | 29.5 | Very low | 32.5 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | trans | -53 | 116.3 | 175.4 | -67.7 | 171.3 | 141 | 0 | 0 | 110.6 | ||||
| 83 | K | 34.2 | Very low | 32.3 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | -122.8 | 118.4 | 162.8 | -81.7 | -171.7 | 176.3 | -179 | 0 | 109.3 | G81 V85 | G81-K83 PolarHBondContact O-N 3.41Å; K83-V85 PolarHBondContact O-N 3.11Å | ||
| 84 | H | 28.1 | Very low | 32.2 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | trans | -62.7 | 120 | 179.9 | -152.4 | -79.3 | 0 | 0 | 0 | 109.5 | ||||
| 85 | V | 30.3 | Very low | 32 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -98.1 | 114 | 171.1 | 178.4 | 0 | 0 | 0 | 0 | 106.9 | K83 E87 | K83-V85 PolarHBondContact O-N 3.11Å; V85-E87 PolarHBondContact O-N 2.86Å | ||
| 86 | E | 27.8 | Very low | 31.9 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 78% | 0.78 | 72% | 0.723 | S | S | * | * | trans | -74.8 | 115.5 | 164.8 | -87.9 | -173.1 | 143.5 | 0 | 0 | 108.7 | V88 | E86-V88 PolarHBondContact O-N 3Š| ||
| 87 | E | 28.8 | Very low | 32 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 90% | 0.897 | 72% | 0.719 | S | S | * | * | trans | -69.6 | 103.5 | 167.5 | -98.9 | -178.7 | 147.4 | 0 | 0 | 109.2 | V85 A89 | V85-E87 PolarHBondContact O-N 2.86Å; E87-A89 PolarHBondContact O-N 2.96Å | ||
| 88 | V | 29.3 | Very low | 32 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | trans | -79.2 | 107.8 | 163.5 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | E86 V90 | E86-V88 PolarHBondContact O-N 3Å; V88-V90 PolarHBondContact O-N 3.08Å | ||
| 89 | A | 29.4 | Very low | 32 | Very low | 100 Ų | 100 | 132 Ų | 132 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | trans | -68.3 | 95.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | E87 D91 | E87-A89 PolarHBondContact O-N 2.96Å; A89-D91 PolarHBondContact O-N 2.82Å | ||
| 90 | V | 33.1 | Very low | 31.7 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 61% | 0.606 | 69% | 0.692 | S | S | * | * | trans | -73.3 | 118.4 | 169.5 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | V88 A92 | V88-V90 PolarHBondContact O-N 3.08Å; V90-A92 PolarHBondContact O-N 3.04Å | ||
| 91 | D | 29 | Very low | 31.8 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 57% | 0.572 | 69% | 0.693 | S | S | * | * | trans | -57.8 | 117.7 | -178.2 | -154.6 | -17.6 | 0 | 0 | 0 | 110.2 | A89 D93 L94 | A89-D91 PolarHBondContact O-N 2.82Å; D91-D93 PolarHBondContact O-N 3.48Å; D91-D93 VanDerWaalsContact O-N 3.11Å; D91-L94 WeakPolarHBondContact O-CB 3.36Å; D91-L94 PolarHBondContact O-N 3.21Å | ||
| 92 | A | 33.2 | Very low | 32 | Very low | 61 Ų | 61 | 130.2 Ų | 130.2 | 50% | 0.504 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -61.3 | -21.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V90 I95 N96 | V90-A92 PolarHBondContact O-N 3.04Å; A92-I95 PolarHBondContact O-N 3.08Å; A92-N96 PolarHBondContact O-N 3.26Å; A92-N96 PolarHBondContact O-ND2 3.13Å; A92-N96 VanDerWaalsContact O-ND2 3.16Å |
| 93 | D | 34.8 | Very low | 32 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 57% | 0.572 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -70.1 | -30.4 | 177.2 | -68.4 | -15.9 | 0 | 0 | 0 | 112.1 | D91 I95 N96 D97 | D91-D93 PolarHBondContact O-N 3.48Å; D91-D93 VanDerWaalsContact O-N 3.11Å; D93-I95 VanDerWaalsContact C-N 3.29Å; D93-I95 PolarHBondContact O-N 3.01Å; D93-N96 PolarHBondContact O-N 2.75Å; D93-D97 PolarHBondContact O-N 3.04Å; D93-D97 VanDerWaalsContact O-N 3.1Å |
| 94 | L | 34.5 | Very low | 32 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 62% | 0.623 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -69.5 | -28.9 | 177.4 | -156.2 | 81.3 | 0 | 0 | 0 | 112.4 | D91 | D91-L94 WeakPolarHBondContact O-CB 3.36Å; D91-L94 PolarHBondContact O-N 3.21Å |
| 95 | I | 34 | Very low | 32.1 | Very low | 87 Ų | 87 | 123.7 Ų | 123.7 | 45% | 0.446 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -77.5 | -37.2 | 175.9 | -58.6 | 176.6 | 0 | 0 | 0 | 109.4 | A92 D93 I98 F99 | A92-I95 PolarHBondContact O-N 3.08Å; D93-I95 VanDerWaalsContact C-N 3.29Å; D93-I95 PolarHBondContact O-N 3.01Å; I95-I98 PolarHBondContact O-N 3.1Å; I95-F99 HydrophobicContact CG2-CD2 4.16Å; I95-F99 HydrophobicContact CG2-CE2 3.96Å; I95-F99 WeakPolarHBondContact O-CD2 3.4Å |
| 96 | N | 35 | Very low | 32 | Very low | 89 Ų | 89 | 120.3 Ų | 120.3 | 48% | 0.476 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -67.8 | -34.2 | 178.8 | -69.8 | -35.9 | 0 | 0 | 0 | 112.7 | A92 D93 I98 F99 D100 | A92-N96 PolarHBondContact O-N 3.26Å; A92-N96 PolarHBondContact O-ND2 3.13Å; A92-N96 VanDerWaalsContact O-ND2 3.16Å; D93-N96 PolarHBondContact O-N 2.75Å; N96-I98 PolarHBondContact O-N 3.11Å; N96-F99 CarbonylContact O-C 3.4Å; N96-F99 PolarHBondContact O-N 3.01Å; N96-D100 WeakPolarHBondContact O-CB 3.45Å; N96-D100 PolarHBondContact O-N 3.45Å |
| 97 | D | 34.6 | Very low | 32 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 65% | 0.652 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -64.7 | -22.7 | 175.2 | -91.3 | -12.1 | 0 | 0 | 0 | 113.8 | D93 F99 | D93-D97 PolarHBondContact O-N 3.04Å; D93-D97 VanDerWaalsContact O-N 3.1Å; D97-F99 VanDerWaalsContact C-N 3.31Å |
| 98 | I | 34.7 | Very low | 32 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -76.8 | -24.4 | 174.4 | -58.4 | 168.3 | 0 | 0 | 0 | 110.9 | I95 N96 | I95-I98 PolarHBondContact O-N 3.1Å; N96-I98 PolarHBondContact O-N 3.11Å |
| 99 | F | 33.4 | Very low | 31.8 | Very low | 152 Ų | 152 | 121.4 Ų | 121.4 | 67% | 0.667 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -111.5 | 0.5 | -175.9 | -65.1 | -71.1 | 0 | 0 | 0 | 113.8 | I95 N96 D97 D101 | I95-F99 HydrophobicContact CG2-CD2 4.16Å; I95-F99 HydrophobicContact CG2-CE2 3.96Å; I95-F99 WeakPolarHBondContact O-CD2 3.4Å; N96-F99 CarbonylContact O-C 3.4Å; N96-F99 PolarHBondContact O-N 3.01Å; D97-F99 VanDerWaalsContact C-N 3.31Å; F99-D101 PolarHBondContact O-N 3.25Å; F99-D101 VanDerWaalsContact O-N 3.11Å |
| 100 | D | 30.2 | Very low | 31.7 | Very low | 111 Ų | 111 | 123 Ų | 123 | 59% | 0.594 | 69% | 0.692 | S | S | * | * | trans | -75 | 107.1 | -177.3 | -125.5 | -14.1 | 0 | 0 | 0 | 110.4 | N96 S102 | N96-D100 WeakPolarHBondContact O-CB 3.45Å; N96-D100 PolarHBondContact O-N 3.45Å; D100-S102 PolarHBondContact O-N 3.36Å; D100-S102 PolarHBondContact O-OG 3Å | ||
| 101 | D | 31.9 | Very low | 31.4 | Very low | 163 Ų | 163 | 122.4 Ų | 122.4 | 87% | 0.872 | 69% | 0.693 | S | S | * | * | trans | -65.1 | 62.6 | 177 | -90.4 | -35 | 0 | 0 | 0 | 110.7 | F99 S103 | F99-D101 PolarHBondContact O-N 3.25Å; F99-D101 VanDerWaalsContact O-N 3.11Å; D101-S103 PolarHBondContact O-N 3.18Å | ||
| 102 | S | 35.7 | Very low | 31.6 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | trans | -82.9 | 89.6 | 172.3 | 37.2 | 0 | 0 | 0 | 0 | 109.6 | D100 S104 | D100-S102 PolarHBondContact O-N 3.36Å; D100-S102 PolarHBondContact O-OG 3Å; S102-S104 PolarHBondContact O-N 3.33Å | ||
| 103 | S | 30.9 | Very low | 31.3 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -39.7 | 111 | 170.2 | 60 | 0 | 0 | 0 | 0 | 114 | D101 | D101-S103 PolarHBondContact O-N 3.18Š| ||
| 104 | S | 33.4 | Very low | 31 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | -161.6 | 128.2 | 136.9 | 52.2 | 0 | 0 | 0 | 0 | 109.4 | S102 G106 | S102-S104 PolarHBondContact O-N 3.33Å; S104-G106 PolarHBondContact O-N 3.27Å; S104-G106 VanDerWaalsContact O-N 3.11Å | ||
| 105 | Q | 30 | Very low | 30.7 | Very low | 209 Ų | 209 | 130.3 Ų | 130.3 | 98% | 0.977 | 73% | 0.731 | S | S | * | * | trans | -61.5 | 108.9 | 172.8 | -73.3 | 178.2 | -38.6 | 0 | 0 | 108.9 | ||||
| 106 | G | 29.3 | Very low | 30.4 | Very low | 55 Ų | 55 | 134.9 Ų | 134.9 | 57% | 0.567 | 75% | 0.748 | S | S | * | * | trans | -136.8 | 131.3 | 167 | 0 | 0 | 0 | 0 | 0 | 108.4 | S104 V108 | S104-G106 PolarHBondContact O-N 3.27Å; S104-G106 VanDerWaalsContact O-N 3.11Å; G106-V108 PolarHBondContact O-N 2.91Å | ||
| 107 | D | 27.3 | Very low | 29.9 | Very low | 173 Ų | 173 | 136 Ų | 136 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -54.1 | 95 | 175.9 | -81.4 | -43.7 | 0 | 0 | 0 | 111 | K109 | D107-K109 PolarHBondContact O-N 3.1Š| ||
| 108 | V | 27.6 | Very low | 29.5 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | -83.6 | 101.5 | 172.5 | -179.1 | 0 | 0 | 0 | 0 | 108.1 | G106 T110 | G106-V108 PolarHBondContact O-N 2.91Å; V108-T110 PolarHBondContact O-N 2.89Å | ||
| 109 | K | 25.1 | Very low | 29.2 | Very low | 200 Ų | 200 | 139.4 Ų | 139.4 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | trans | -60.2 | 110.3 | 161.8 | -78.5 | 176.9 | 174.2 | 176.8 | 0 | 108.3 | D107 S111 | D107-K109 PolarHBondContact O-N 3.1Å; K109-S111 PolarHBondContact O-N 2.91Å | ||
| 110 | T | 27.2 | Very low | 28.8 | Very low | 134 Ų | 134 | 139 Ų | 139 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -70.3 | 113.9 | 168.9 | 44.5 | 0 | 0 | 0 | 0 | 109.1 | V108 | V108-T110 PolarHBondContact O-N 2.89Š| ||
| 111 | S | 28.4 | Very low | 28.8 | Very low | 88 Ų | 88 | 138.2 Ų | 138.2 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | trans | -68.6 | 130.3 | 165.8 | 50.9 | 0 | 0 | 0 | 0 | 109.3 | K109 E113 | K109-S111 PolarHBondContact O-N 2.91Å; S111-E113 PolarHBondContact O-N 3.42Å; S111-E113 VanDerWaalsContact O-N 3.09Å | ||
| 112 | S | 31.8 | Very low | 28.6 | Very low | 122 Ų | 122 | 138 Ų | 138 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | -80.2 | 72.7 | 170.2 | 58.6 | 0 | 0 | 0 | 0 | 108.8 | E114 | S112-E114 PolarHBondContact O-N 2.91Š| ||
| 113 | E | 27.7 | Very low | 28.2 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | trans | -80.7 | 107.7 | 169.3 | -77.9 | 178.7 | 172 | 0 | 0 | 108.4 | S111 T115 | S111-E113 PolarHBondContact O-N 3.42Å; S111-E113 VanDerWaalsContact O-N 3.09Å; E113-T115 PolarHBondContact O-N 3.25Å; E113-T115 PolarHBondContact O-OG1 3.5Å | ||
| 114 | E | 29.4 | Very low | 28.1 | Very low | 160 Ų | 160 | 141.1 Ų | 141.1 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -58.2 | 101.1 | 169.2 | -69.1 | -176.9 | 163.6 | 0 | 0 | 108.6 | S112 K116 | S112-E114 PolarHBondContact O-N 2.91Å; E114-K116 PolarHBondContact O-N 2.07Å | ||
| 115 | T | 26.5 | Very low | 27.9 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | -80.9 | 101.1 | 173.9 | -43.6 | 0 | 0 | 0 | 0 | 108 | E113 I117 | E113-T115 PolarHBondContact O-N 3.25Å; E113-T115 PolarHBondContact O-OG1 3.5Å; T115-I117 HydrophobicContact CG2-CG1 4.26Å; T115-I117 PolarHBondContact O-N 3.48Å | ||
| 116 | K | 27.5 | Very low | 28 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 80% | 0.796 | 71% | 0.71 | S | S | * | * | trans | -78.2 | 114.8 | 170.3 | -66.7 | -176.1 | -179.1 | -175.1 | 0 | 108.4 | E114 | E114-K116 PolarHBondContact O-N 2.07Š| ||
| 117 | I | 26.3 | Very low | 28 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 57% | 0.574 | 71% | 0.706 | S | S | * | * | trans | -103.6 | 110.9 | 171.7 | -51.1 | 174.7 | 0 | 0 | 0 | 106.9 | T115 Y119 | T115-I117 HydrophobicContact CG2-CG1 4.26Å; T115-I117 PolarHBondContact O-N 3.48Å; I117-Y119 HydrophobicContact CB-CD2 4.12Å; I117-Y119 HydrophobicContact CB-CE2 3.87Å; I117-Y119 HydrophobicContact CD1-CE2 4.4Å; I117-Y119 HydrophobicContact CG2-CD2 3.55Å; I117-Y119 HydrophobicContact CG2-CE2 3.25Å; I117-Y119 HydrophobicContact CG2-CG 4.4Å; I117-Y119 PolarHBondContact O-N 3.43Å | ||
| 118 | L | 26.2 | Very low | 28.1 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 91% | 0.906 | 68% | 0.68 | S | S | * | * | trans | -76.5 | 113.4 | 167.2 | -77 | 158.2 | 0 | 0 | 0 | 107.4 | ||||
| 119 | Y | 28.5 | Very low | 28.3 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | trans | -99.6 | 119.5 | 171.4 | -85.9 | -84.4 | 0 | 0 | 0 | 108.9 | I117 I121 F126 | I117-Y119 HydrophobicContact CB-CD2 4.12Å; I117-Y119 HydrophobicContact CB-CE2 3.87Å; I117-Y119 HydrophobicContact CD1-CE2 4.4Å; I117-Y119 HydrophobicContact CG2-CD2 3.55Å; I117-Y119 HydrophobicContact CG2-CE2 3.25Å; I117-Y119 HydrophobicContact CG2-CG 4.4Å; I117-Y119 PolarHBondContact O-N 3.43Å; Y119-I121 PolarHBondContact O-N 3.47Å; Y119-F126 HydrophobicContact CD1-CE1 4.05Å; Y119-F126 AromaticContact CD1-CZ 3.62Å; Y119-F126 HydrophobicContact CD1-CZ 3.62Å; Y119-F126 AromaticContact CE1-CE1 3.97Å; Y119-F126 HydrophobicContact CE1-CE1 3.97Å; Y119-F126 HydrophobicContact CE1-CZ 4Å; Y119-F126 HydrophobicContact CG-CZ 4.18Å | ||
| 120 | N | 24.9 | Very low | 28.6 | Very low | 142 Ų | 142 | 122.2 Ų | 122.2 | 76% | 0.759 | 65% | 0.649 | S | S | * | * | trans | -71.2 | 112.7 | 161.3 | -83.4 | -4 | 0 | 0 | 0 | 107.2 | E122 | N120-E122 PolarHBondContact O-N 3.18Š| ||
| 121 | I | 29.2 | Very low | 28.8 | Very low | 96 Ų | 96 | 120.3 Ų | 120.3 | 49% | 0.492 | 65% | 0.646 | S | S | . | * | trans | -79.9 | 71.9 | 172.7 | -54.7 | 175.1 | 0 | 0 | 0 | 107 | Y119 E123 | Y119-I121 PolarHBondContact O-N 3.47Å; I121-E123 PolarHBondContact O-N 2.7Å | ||
| 122 | E | 27 | Very low | 29 | Very low | 157 Ų | 157 | 117.9 Ų | 117.9 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | trans | -84.7 | 100.7 | 161.6 | -76.4 | -174.4 | 169.5 | 0 | 0 | 107.4 | N120 D124 | N120-E122 PolarHBondContact O-N 3.18Å; E122-D124 PolarHBondContact O-N 3.29Å | ||
| 123 | E | 29 | Very low | 29.1 | Very low | 161 Ų | 161 | 122.7 Ų | 122.7 | 75% | 0.752 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 49.6 | 0 | 160.9 | -61 | -164.9 | 143.4 | 0 | 0 | 120.8 | I121 K145 | I121-E123 PolarHBondContact O-N 2.7Å; E123-K145 IonicContact OE1-NZ 3.08Å; E123-K145 PolarHBondContact OE1-NZ 3.47Å |
| 124 | D | 28 | Very low | 29.3 | Very low | 129 Ų | 129 | 118.2 Ų | 118.2 | 69% | 0.69 | 63% | 0.63 | S | S | * | * | trans | -105.9 | 122.8 | -173.4 | -79.4 | -27.9 | 0 | 0 | 0 | 113.2 | E122 | E122-D124 PolarHBondContact O-N 3.29Š| ||
| 125 | S | 30.1 | Very low | 29.4 | Very low | 81 Ų | 81 | 114 Ų | 114 | 57% | 0.566 | 63% | 0.629 | S | S | * | * | trans | -54.8 | 133.5 | 177.9 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 126 | F | 30.6 | Very low | 29.6 | Very low | 88 Ų | 88 | 113.1 Ų | 113.1 | 39% | 0.386 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 106.1 | 170 | -74.1 | -87.4 | 0 | 0 | 0 | 110.8 | Y119 W140 | Y119-F126 HydrophobicContact CD1-CE1 4.05Å; Y119-F126 AromaticContact CD1-CZ 3.62Å; Y119-F126 HydrophobicContact CD1-CZ 3.62Å; Y119-F126 AromaticContact CE1-CE1 3.97Å; Y119-F126 HydrophobicContact CE1-CE1 3.97Å; Y119-F126 HydrophobicContact CE1-CZ 4Å; Y119-F126 HydrophobicContact CG-CZ 4.18Å; F126-W140 CarbonylContact C-O 3.44Å; F126-W140 PolarHBondContact N-O 2.98Å |
| 127 | G | 29.9 | Very low | 29.9 | Very low | 46 Ų | 46 | 113.4 Ų | 113.4 | 47% | 0.474 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84 | 146 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 128 | F | 30.2 | Very low | 30.1 | Very low | 90 Ų | 90 | 109.1 Ų | 109.1 | 40% | 0.395 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.9 | 169.3 | -66.7 | -72.8 | 0 | 0 | 0 | 110.2 | C130 V138 L203 | F128-C130 PolarHBondContact O-N 2.95Å; F128-V138 PolarHBondContact N-O 3.31Å; F128-V138 PolarHBondContact O-N 3.25Å; F128-L203 HydrophobicContact CD1-CD2 4.18Å; F128-L203 HydrophobicContact CE1-CD1 3.54Å; F128-L203 HydrophobicContact CE1-CD2 3.19Å; F128-L203 HydrophobicContact CE1-CG 3.97Å; F128-L203 HydrophobicContact CZ-CD1 3.72Å; F128-L203 HydrophobicContact CZ-CD2 3.52Å; F128-L203 HydrophobicContact CZ-CG 4.16Å |
| 129 | D | 30.9 | Very low | 30.2 | Very low | 145 Ų | 145 | 107.7 Ų | 107.7 | 78% | 0.775 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72 | 109.6 | 172.9 | -76.3 | -32.3 | 0 | 0 | 0 | 110 | ||
| 130 | C | 31.6 | Very low | 30.4 | Very low | 32 Ų | 32 | 107.5 Ų | 107.5 | 22% | 0.216 | 58% | 0.58 | C | S | . | * | trans | -73.6 | 130.4 | 167.8 | -179.4 | 0 | 0 | 0 | 0 | 110 | F128 C132 V138 C159 | F128-C130 PolarHBondContact O-N 2.95Å; C130-C132 HydrophobicContact CB-CB 4.08Å; C130-C132 WeakPolarHBondContact CB-SG 3.41Å; C130-C132 PolarHBondContact O-N 3.42Å; C130-C132 WeakPolarHBondContact SG-CB 3.44Å; C130-C132 PolarHBondContact SG-N 3.5Å; C130-C132 CovalentContact SG-SG 2.07Å; C130-C132 PolarHBondContact SG-SG 2.92Å; C130-V138 HydrophobicContact CB-CB 4.33Å; C130-V138 HydrophobicContact CB-CG2 3.37Å; C130-C159 PolarHBondContact SG-SG 3.09Å | ||
| 131 | A | 31.2 | Very low | 30.5 | Very low | 94 Ų | 94 | 103.8 Ų | 103.8 | 78% | 0.777 | 57% | 0.566 | S | S | * | * | trans | -75.7 | 32.7 | 168 | 0 | 0 | 0 | 0 | 0 | 113.1 | K133 | A131-K133 PolarHBondContact O-N 3.19Š| ||
| 132 | C | 32.4 | Very low | 30.6 | Very low | 36 Ų | 36 | 105 Ų | 105 | 24% | 0.243 | 57% | 0.572 | C | S | . | * | trans | -62.1 | 127.2 | 170.8 | -64.5 | 0 | 0 | 0 | 0 | 107.4 | C130 G134 G135 C159 | C130-C132 HydrophobicContact CB-CB 4.08Å; C130-C132 WeakPolarHBondContact CB-SG 3.41Å; C130-C132 PolarHBondContact O-N 3.42Å; C130-C132 WeakPolarHBondContact SG-CB 3.44Å; C130-C132 PolarHBondContact SG-N 3.5Å; C130-C132 CovalentContact SG-SG 2.07Å; C130-C132 PolarHBondContact SG-SG 2.92Å; C132-G134 VanDerWaalsContact C-N 3.32Å; C132-G134 PolarHBondContact O-N 2.75Å; C132-G135 PolarHBondContact O-N 3.13Å; C132-C159 VanDerWaalsContact SG-SG 3.62Å | ||
| 133 | K | 34.3 | Very low | 30.6 | Very low | 223 Ų | 223 | 101.9 Ų | 101.9 | 97% | 0.97 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | 92.6 | 176 | -75.1 | 179.7 | -179.5 | 171.1 | 0 | 109.3 | A131 | A131-K133 PolarHBondContact O-N 3.19Š|
| 134 | G | 32.5 | Very low | 30.6 | Very low | 62 Ų | 62 | 103.1 Ų | 103.1 | 64% | 0.639 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 154.1 | -6.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | C132 D136 | C132-G134 VanDerWaalsContact C-N 3.32Å; C132-G134 PolarHBondContact O-N 2.75Å; G134-D136 VanDerWaalsContact C-N 3.33Å |
| 135 | G | 31.5 | Very low | 30.7 | Very low | 71 Ų | 71 | 103.5 Ų | 103.5 | 73% | 0.732 | 56% | 0.562 | S | S | * | * | trans | 74.3 | 25.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C132 R137 | C132-G135 PolarHBondContact O-N 3.13Å; G135-R137 PolarHBondContact O-N 3.33Å | ||
| 136 | D | 31.1 | Very low | 30.4 | Very low | 104 Ų | 104 | 105.3 Ų | 105.3 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | trans | -78.9 | 118.1 | 175.7 | -66.2 | -31.1 | 0 | 0 | 0 | 109.9 | G134 | G134-D136 VanDerWaalsContact C-N 3.33Š| ||
| 137 | R | 32.1 | Very low | 30.4 | Very low | 189 Ų | 189 | 105.6 Ų | 105.6 | 71% | 0.713 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.1 | 129.9 | 170.1 | -65.7 | 178.2 | 178.3 | -175.9 | -2.8 | 108.3 | G135 F139 | G135-R137 PolarHBondContact O-N 3.33Å; R137-F139 HydrophobicContact CB-CD2 4.41Å; R137-F139 HydrophobicContact CB-CE2 3.86Å; R137-F139 HydrophobicContact CB-CZ 4.47Å |
| 138 | V | 30.6 | Very low | 30.1 | Very low | 22 Ų | 22 | 108.9 Ų | 108.9 | 13% | 0.133 | 60% | 0.595 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 114.5 | 174.4 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | F128 C130 W140 | F128-V138 PolarHBondContact N-O 3.31Å; F128-V138 PolarHBondContact O-N 3.25Å; C130-V138 HydrophobicContact CB-CB 4.33Å; C130-V138 HydrophobicContact CB-CG2 3.37Å; V138-W140 HydrophobicContact CG1-CZ2 4.46Å |
| 139 | F | 29.1 | Very low | 29.8 | Very low | 144 Ų | 144 | 110.1 Ų | 110.1 | 63% | 0.632 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.5 | 173.4 | -67.4 | -91.3 | 0 | 0 | 0 | 108.1 | R137 | R137-F139 HydrophobicContact CB-CD2 4.41Å; R137-F139 HydrophobicContact CB-CE2 3.86Å; R137-F139 HydrophobicContact CB-CZ 4.47Å |
| 140 | W | 31.7 | Very low | 29.7 | Very low | 145 Ų | 145 | 105.7 Ų | 105.7 | 55% | 0.549 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.2 | 165.7 | -67.8 | 90.4 | 0 | 0 | 0 | 108.1 | F126 V138 | F126-W140 CarbonylContact C-O 3.44Å; F126-W140 PolarHBondContact N-O 2.98Å; V138-W140 HydrophobicContact CG1-CZ2 4.46Å |
| 141 | S | 28.5 | Very low | 29.4 | Very low | 65 Ų | 65 | 109.8 Ų | 109.8 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | trans | -109.1 | 114.4 | 169 | 68.3 | 0 | 0 | 0 | 0 | 107.7 | L143 | S141-L143 PolarHBondContact O-N 2.96Å; S141-L143 WeakPolarHBondContact OG-CD1 3.31Å | ||
| 142 | L | 30.1 | Very low | 29.2 | Very low | 121 Ų | 121 | 109.7 Ų | 109.7 | 63% | 0.634 | 62% | 0.617 | S | S | * | * | trans | -74.7 | 81.7 | 161.4 | -87 | 148.7 | 0 | 0 | 0 | 106.7 | E144 I201 | L142-E144 PolarHBondContact O-N 3.43Å; L142-I201 HydrophobicContact CD1-CD1 4.2Å | ||
| 143 | L | 27.3 | Very low | 29 | Very low | 91 Ų | 91 | 113.7 Ų | 113.7 | 48% | 0.476 | 64% | 0.64 | S | S | . | * | trans | -84.7 | 110.1 | 172.9 | -78.2 | 167.7 | 0 | 0 | 0 | 108.2 | S141 K145 L147 | S141-L143 PolarHBondContact O-N 2.96Å; S141-L143 WeakPolarHBondContact OG-CD1 3.31Å; L143-K145 PolarHBondContact O-N 3.26Å; L143-L147 HydrophobicContact CB-CD1 4.09Å; L143-L147 HydrophobicContact CB-CD2 4.47Å; L143-L147 HydrophobicContact CB-CG 4.34Å; L143-L147 HydrophobicContact CD1-CD1 4.22Å; L143-L147 HydrophobicContact CD1-CD2 3.78Å; L143-L147 HydrophobicContact CD1-CG 4.41Å | ||
| 144 | E | 30.2 | Very low | 28.7 | Very low | 188 Ų | 188 | 112 Ų | 112 | 88% | 0.879 | 63% | 0.632 | S | S | * | * | trans | -71.5 | 21.4 | 172.7 | -137.4 | 177.8 | -160.9 | 0 | 0 | 112.9 | L142 | L142-E144 PolarHBondContact O-N 3.43Š| ||
| 145 | K | 28 | Very low | 28.6 | Very low | 137 Ų | 137 | 114.1 Ų | 114.1 | 60% | 0.596 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -126.4 | 135.5 | -178.1 | -73.4 | 175.3 | -178.4 | 163.5 | 0 | 109.2 | E123 L143 L147 | E123-K145 IonicContact OE1-NZ 3.08Å; E123-K145 PolarHBondContact OE1-NZ 3.47Å; L143-K145 PolarHBondContact O-N 3.26Å; K145-L147 PolarHBondContact O-N 3.22Å |
| 146 | S | 25.6 | Very low | 28.3 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 83% | 0.825 | 64% | 0.635 | S | S | * | * | trans | -50.9 | 98.7 | 179.1 | 46.3 | 0 | 0 | 0 | 0 | 111.5 | S148 | S146-S148 PolarHBondContact O-N 3.29Š| ||
| 147 | L | 29.4 | Very low | 28 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 49% | 0.492 | 65% | 0.645 | S | S | . | * | trans | -75.4 | 74.8 | -177.3 | -77.2 | 169.8 | 0 | 0 | 0 | 110.7 | L143 K145 C149 A150 | L143-L147 HydrophobicContact CB-CD1 4.09Å; L143-L147 HydrophobicContact CB-CD2 4.47Å; L143-L147 HydrophobicContact CB-CG 4.34Å; L143-L147 HydrophobicContact CD1-CD1 4.22Å; L143-L147 HydrophobicContact CD1-CD2 3.78Å; L143-L147 HydrophobicContact CD1-CG 4.41Å; K145-L147 PolarHBondContact O-N 3.22Å; L147-C149 PolarHBondContact O-N 3.45Å; L147-A150 HydrophobicContact CB-CB 3.85Å; L147-A150 HydrophobicContact CD1-CB 3.56Å; L147-A150 HydrophobicContact CD2-CB 3.54Å; L147-A150 HydrophobicContact CG-CB 3.81Å | ||
| 148 | S | 24.6 | Very low | 27.7 | Very low | 116 Ų | 116 | 120 Ų | 120 | 81% | 0.811 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -8.7 | 162.3 | 47.6 | 0 | 0 | 0 | 0 | 112.6 | S146 | S146-S148 PolarHBondContact O-N 3.29Š|
| 149 | C | 24 | Very low | 27.7 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 78% | 0.777 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.8 | 35.8 | -174.3 | -76.3 | 0 | 0 | 0 | 0 | 115 | L147 | L147-C149 PolarHBondContact O-N 3.45Š|
| 150 | A | 27.7 | Very low | 27.6 | Very low | 52 Ų | 52 | 120.8 Ų | 120.8 | 43% | 0.43 | 65% | 0.649 | S | S | . | * | trans | -77.2 | 127.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | L147 S152 | L147-A150 HydrophobicContact CB-CB 3.85Å; L147-A150 HydrophobicContact CD1-CB 3.56Å; L147-A150 HydrophobicContact CD2-CB 3.54Å; L147-A150 HydrophobicContact CG-CB 3.81Å; A150-S152 PolarHBondContact O-N 3.29Å | ||
| 151 | P | 26.2 | Very low | 27.4 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 77% | 0.766 | 65% | 0.653 | S | S | * | * | trans | -66 | 109.1 | 172.3 | 25.3 | -29.8 | 0 | 0 | 0 | 109.5 | V153 | P151-V153 PolarHBondContact O-N 3.45Å; P151-V153 VanDerWaalsContact O-N 3.08Å | ||
| 152 | S | 25.9 | Very low | 27.3 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | trans | -55.3 | 113.5 | 173.1 | 65.2 | 0 | 0 | 0 | 0 | 109.6 | A150 K154 | A150-S152 PolarHBondContact O-N 3.29Å; S152-K154 VanDerWaalsContact C-N 3.35Å; S152-K154 PolarHBondContact O-N 3.47Å | ||
| 153 | V | 28.6 | Very low | 27.3 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | -70.4 | 97.1 | 168.5 | 179.1 | 0 | 0 | 0 | 0 | 107 | P151 H155 | P151-V153 PolarHBondContact O-N 3.45Å; P151-V153 VanDerWaalsContact O-N 3.08Å; V153-H155 PolarHBondContact O-N 3.43Å | ||
| 154 | K | 28.3 | Very low | 27.3 | Very low | 186 Ų | 186 | 125.1 Ų | 125.1 | 81% | 0.809 | 68% | 0.677 | S | S | * | * | trans | -64.7 | 101.3 | 174.2 | -74.9 | -176.5 | 176.3 | 179 | 0 | 109.1 | S152 Q156 | S152-K154 VanDerWaalsContact C-N 3.35Å; S152-K154 PolarHBondContact O-N 3.47Å; K154-Q156 PolarHBondContact O-N 3.16Å | ||
| 155 | H | 29.6 | Very low | 27.4 | Very low | 108 Ų | 108 | 126 Ų | 126 | 50% | 0.5 | 68% | 0.678 | S | S | . | * | trans | -66 | 122.6 | 165.9 | -87.5 | -106.1 | 0 | 0 | 0 | 109.5 | V153 K157 | V153-H155 PolarHBondContact O-N 3.43Å; H155-K157 VanDerWaalsContact C-N 3.27Å | ||
| 156 | Q | 25.2 | Very low | 27.4 | Very low | 197 Ų | 197 | 125.5 Ų | 125.5 | 92% | 0.921 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -82.7 | -5.5 | 176.5 | -144.7 | 173.1 | 18.3 | 0 | 0 | 112.5 | K154 | K154-Q156 PolarHBondContact O-N 3.16Š|
| 157 | K | 26.4 | Very low | 27.5 | Very low | 179 Ų | 179 | 126 Ų | 126 | 78% | 0.778 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -153 | 138 | 174 | -69 | -173.6 | 179.1 | 168.1 | 0 | 111.1 | H155 | H155-K157 VanDerWaalsContact C-N 3.27Š|
| 158 | F | 25.8 | Very low | 27.5 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 49% | 0.491 | 69% | 0.691 | S | S | . | * | trans | -57 | 130.6 | 176.7 | -72.6 | -99.6 | 0 | 0 | 0 | 112.2 | P181 D183 T184 | F158-P181 WeakPolarHBondContact CZ-O 3.49Å; F158-D183 WeakPolarHBondContact CE1-O 3.32Å; F158-T184 HydrophobicContact CD1-CG2 4.5Å; F158-T184 HydrophobicContact CE1-CG2 3.45Å; F158-T184 VanDerWaalsContact CE1-CG2 3.45Å; F158-T184 HydrophobicContact CZ-CG2 3.74Å; F158-T184 WeakPolarHBondContact CZ-OG1 3.16Å | ||
| 159 | C | 29.6 | Very low | 27.8 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 48% | 0.48 | 69% | 0.686 | S | S | . | * | trans | -110 | 104.5 | 168.6 | -168.2 | 0 | 0 | 0 | 0 | 108 | C130 C132 L161 | C130-C159 PolarHBondContact SG-SG 3.09Å; C132-C159 VanDerWaalsContact SG-SG 3.62Å; C159-L161 PolarHBondContact O-N 3.36Å; C159-L161 VanDerWaalsContact O-N 3.11Å | ||
| 160 | L | 27.1 | Very low | 28.3 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 58% | 0.581 | 69% | 0.688 | S | S | * | * | trans | -65.5 | 110.2 | 175.5 | -99.6 | 146.4 | 0 | 0 | 0 | 109.8 | Q162 L179 | L160-Q162 PolarHBondContact O-N 3.45Å; L160-L179 HydrophobicContact CD1-CD1 3.28Å; L160-L179 HydrophobicContact CD1-CD2 3.62Å; L160-L179 HydrophobicContact CD1-CG 4.07Å | ||
| 161 | L | 27.7 | Very low | 28.6 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 64% | 0.639 | 71% | 0.713 | S | S | * | * | trans | -63.6 | 112.1 | 154 | -74.2 | 161.5 | 0 | 0 | 0 | 106.1 | C159 S163 | C159-L161 PolarHBondContact O-N 3.36Å; C159-L161 VanDerWaalsContact O-N 3.11Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 2.96Å | ||
| 162 | Q | 26.9 | Very low | 28.8 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | trans | -68.4 | 96.7 | 172.9 | -77.2 | -167.8 | -22.7 | 0 | 0 | 107.9 | L160 E164 | L160-Q162 PolarHBondContact O-N 3.45Å; Q162-E164 PolarHBondContact O-N 2.95Å | ||
| 163 | S | 29.8 | Very low | 29.2 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | -59.3 | 130.6 | 161 | 49.9 | 0 | 0 | 0 | 0 | 108 | L161 K165 | L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 2.96Å; S163-K165 PolarHBondContact O-N 2.96Å | ||
| 164 | E | 27.8 | Very low | 29.3 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 49% | 0.491 | 73% | 0.725 | S | S | . | * | trans | -54.3 | 100.3 | -177.6 | -143.6 | 164.8 | -158.2 | 0 | 0 | 108.6 | Q162 N166 H229 | Q162-E164 PolarHBondContact O-N 2.95Å; E164-N166 PolarHBondContact O-N 3.07Å; E164-H229 IonicContact OE1-CE1 3.84Å; E164-H229 IonicContact OE1-ND1 3.29Å; E164-H229 PolarHBondContact OE1-ND1 3.18Å | ||
| 165 | K | 30.2 | Very low | 29.4 | Very low | 207 Ų | 207 | 136 Ų | 136 | 90% | 0.9 | 71% | 0.711 | S | S | * | * | trans | -69.7 | 93.1 | 166.6 | -92.4 | -173.6 | 176.2 | 178.6 | 0 | 106.9 | S163 | S163-K165 PolarHBondContact O-N 2.96Š| ||
| 166 | N | 28.2 | Very low | 29.5 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 67% | 0.674 | 73% | 0.729 | S | S | * | * | trans | -51.9 | 136.3 | 161.6 | -77.9 | -25.3 | 0 | 0 | 0 | 109.7 | E164 | E164-N166 PolarHBondContact O-N 3.07Š| ||
| 167 | D | 29 | Very low | 29.9 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 68% | 0.679 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 56.3 | 111.4 | 152 | -62.9 | -32.8 | 0 | 0 | 0 | 119.1 | ||
| 168 | E | 29 | Very low | 30.1 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | trans | 64.3 | 168.9 | 136.5 | -59.3 | -169.8 | 136.8 | 0 | 0 | 114.7 | ||||
| 169 | T | 31.5 | Very low | 30.5 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | trans | 69.2 | 109.4 | 174.6 | 17 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 170 | M | 34 | Very low | 30.4 | Very low | 163 Ų | 163 | 136 Ų | 136 | 80% | 0.803 | 73% | 0.726 | S | S | * | * | trans | 113.4 | 77.1 | 135.8 | -55.4 | -97.2 | 169.6 | 0 | 0 | 114 | G172 | M170-G172 PolarHBondContact O-N 3.09Å; M170-G172 VanDerWaalsContact O-N 3.1Å | ||
| 171 | M | 33.9 | Very low | 30.9 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 97% | 0.97 | 73% | 0.728 | S | S | * | * | -25.4 | 107.8 | 129.5 | -65.4 | -88.4 | -101.5 | 0 | 0 | 110.8 | |||||
| 172 | G | 30.9 | Very low | 31.5 | Very low | 64 Ų | 64 | 135.9 Ų | 135.9 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | 158.3 | 112.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115 | M170 | M170-G172 PolarHBondContact O-N 3.09Å; M170-G172 VanDerWaalsContact O-N 3.1Å | ||
| 173 | S | 34.7 | Very low | 32 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | trans | 69.2 | 99.6 | 152.5 | -66.6 | 0 | 0 | 0 | 0 | 117.8 | S175 | S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 3.14Å | ||
| 174 | H | 30.1 | Very low | 32.1 | Very low | 205 Ų | 205 | 131.1 Ų | 131.1 | 95% | 0.949 | 71% | 0.708 | S | S | * | * | trans | -51.4 | 93 | 143.9 | -74.1 | -80.7 | 0 | 0 | 0 | 109.8 | ||||
| 175 | S | 30.7 | Very low | 32.6 | Very low | 72 Ų | 72 | 130 Ų | 130 | 50% | 0.503 | 71% | 0.705 | S | S | . | * | trans | -108.8 | 113.2 | 159.3 | 53.3 | 0 | 0 | 0 | 0 | 107.9 | S173 Q177 | S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 3.14Å; S175-Q177 PolarHBondContact O-N 2.94Å | ||
| 176 | D | 31.4 | Very low | 33 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 89% | 0.888 | 68% | 0.684 | S | S | * | * | trans | -61.2 | 65.9 | 162.3 | -70.5 | -48.4 | 0 | 0 | 0 | 109.4 | L178 | D176-L178 VanDerWaalsContact C-N 3.35Å; D176-L178 PolarHBondContact O-N 3.08Å | ||
| 177 | Q | 32.5 | Very low | 33.4 | Very low | 162 Ų | 162 | 124.9 Ų | 124.9 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | trans | -74.1 | 98.2 | 169 | -79 | -176.3 | 19.7 | 0 | 0 | 107 | S175 L179 | S175-Q177 PolarHBondContact O-N 2.94Å; Q177-L179 PolarHBondContact O-N 3.1Å; Q177-L179 VanDerWaalsContact O-N 3.1Å | ||
| 178 | L | 32 | Very low | 34.1 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 89% | 0.89 | 68% | 0.679 | S | S | * | * | trans | -45.7 | 111.9 | 163.4 | -70.4 | 160.4 | 0 | 0 | 0 | 108.4 | D176 S180 | D176-L178 VanDerWaalsContact C-N 3.35Å; D176-L178 PolarHBondContact O-N 3.08Å; L178-S180 PolarHBondContact O-N 2.98Å | ||
| 179 | L | 33.3 | Very low | 34.8 | Very low | 114 Ų | 114 | 118 Ų | 118 | 60% | 0.597 | 66% | 0.661 | S | S | * | * | trans | -56.1 | 128.4 | 176.9 | -65.5 | 159.3 | 0 | 0 | 0 | 109.4 | L160 Q177 | L160-L179 HydrophobicContact CD1-CD1 3.28Å; L160-L179 HydrophobicContact CD1-CD2 3.62Å; L160-L179 HydrophobicContact CD1-CG 4.07Å; Q177-L179 PolarHBondContact O-N 3.1Å; Q177-L179 VanDerWaalsContact O-N 3.1Å | ||
| 180 | S | 28.7 | Very low | 35.2 | Very low | 53 Ų | 53 | 116.5 Ų | 116.5 | 37% | 0.371 | 65% | 0.645 | S | S | . | * | trans | -70.3 | 140.6 | 177.8 | -166.8 | 0 | 0 | 0 | 0 | 108.7 | L178 D182 D183 | L178-S180 PolarHBondContact O-N 2.98Å; S180-D182 PolarHBondContact O-N 2.98Å; S180-D182 PolarHBondContact OG-OD2 3.23Å; S180-D183 PolarHBondContact O-N 3.17Å; S180-D183 VanDerWaalsContact O-N 3.11Å | ||
| 181 | P | 37.4 | Very low | 35.5 | Very low | 93 Ų | 93 | 114.6 Ų | 114.6 | 60% | 0.604 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -2.9 | 170.7 | 27.2 | -34.6 | 0 | 0 | 0 | 113.8 | F158 D183 T184 | F158-P181 WeakPolarHBondContact CZ-O 3.49Å; P181-D183 VanDerWaalsContact C-N 3.32Å; P181-T184 PolarHBondContact O-OG1 3.03Å |
| 182 | D | 39 | Very low | 36 | Very low | 138 Ų | 138 | 113.1 Ų | 113.1 | 74% | 0.738 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -7.5 | 171.8 | -66.1 | -39.7 | 0 | 0 | 0 | 113.7 | S180 T184 | S180-D182 PolarHBondContact O-N 2.98Å; S180-D182 PolarHBondContact OG-OD2 3.23Å; D182-T184 PolarHBondContact O-N 3.3Å |
| 183 | D | 37.6 | Very low | 36.5 | Very low | 98 Ų | 98 | 114 Ų | 114 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | trans | -80.9 | 34.7 | 177.5 | -67.9 | -31.1 | 0 | 0 | 0 | 112.7 | F158 S180 P181 | F158-D183 WeakPolarHBondContact CE1-O 3.32Å; S180-D183 PolarHBondContact O-N 3.17Å; S180-D183 VanDerWaalsContact O-N 3.11Å; P181-D183 VanDerWaalsContact C-N 3.32Å | ||
| 184 | T | 32.8 | Very low | 36.9 | Very low | 88 Ų | 88 | 112.4 Ų | 112.4 | 54% | 0.54 | 59% | 0.591 | S | S | . | * | trans | -90.4 | 113.8 | 174.3 | -11 | 0 | 0 | 0 | 0 | 108.2 | F158 P181 D182 D186 | F158-T184 HydrophobicContact CD1-CG2 4.5Å; F158-T184 HydrophobicContact CE1-CG2 3.45Å; F158-T184 VanDerWaalsContact CE1-CG2 3.45Å; F158-T184 HydrophobicContact CZ-CG2 3.74Å; F158-T184 WeakPolarHBondContact CZ-OG1 3.16Å; P181-T184 PolarHBondContact O-OG1 3.03Å; D182-T184 PolarHBondContact O-N 3.3Å; T184-D186 PolarHBondContact O-N 3.33Å; T184-D186 VanDerWaalsContact O-N 3.12Å | ||
| 185 | I | 38.2 | Very low | 37.3 | Very low | 83 Ų | 83 | 106.6 Ų | 106.6 | 43% | 0.426 | 57% | 0.571 | S | S | . | * | trans | -57.8 | 115.9 | 166.4 | -60 | 175 | 0 | 0 | 0 | 106.4 | E189 F190 I193 | I185-E189 WeakPolarHBondContact CA-OE2 3.49Å; I185-E189 HydrophobicContact CG2-CB 3.5Å; I185-E189 VanDerWaalsContact CG2-CB 3.5Å; I185-F190 HydrophobicContact CG2-CB 4.21Å; I185-I193 HydrophobicContact CD1-CD1 4.08Å; I185-I193 HydrophobicContact CG2-CD1 4Å | ||
| 186 | D | 37.5 | Very low | 37.7 | Very low | 86 Ų | 86 | 111 Ų | 111 | 46% | 0.46 | 58% | 0.584 | S | S | . | * | trans | -73.2 | 163.3 | 176.1 | 71.1 | 22.6 | 0 | 0 | 0 | 110.4 | T184 A188 E189 F190 | T184-D186 PolarHBondContact O-N 3.33Å; T184-D186 VanDerWaalsContact O-N 3.12Å; D186-A188 PolarHBondContact O-N 2.94Å; D186-A188 WeakPolarHBondContact OD1-CA 3.5Å; D186-A188 WeakPolarHBondContact OD1-CB 3.35Å; D186-A188 PolarHBondContact OD1-N 2.91Å; D186-E189 PolarHBondContact O-N 3.13Å; D186-E189 VanDerWaalsContact O-N 3.15Å; D186-E189 WeakPolarHBondContact OD1-CG 3.49Å; D186-E189 PolarHBondContact OD1-N 3.48Å; D186-F190 PolarHBondContact O-N 3.36Å | ||
| 187 | D | 37.8 | Very low | 37.9 | Very low | 138 Ų | 138 | 107.5 Ų | 107.5 | 74% | 0.738 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.8 | -19.9 | -178.4 | -74.4 | -24 | 0 | 0 | 0 | 112.6 | K191 | D187-K191 VanDerWaalsContact O-CG 3.31Å; D187-K191 WeakPolarHBondContact O-CG 3.35Å; D187-K191 PolarHBondContact O-N 3.19Å |
| 188 | A | 43.2 | Very low | 38.1 | Very low | 63 Ų | 63 | 106.4 Ų | 106.4 | 52% | 0.521 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -79.4 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D186 F190 K191 E192 | D186-A188 PolarHBondContact O-N 2.94Å; D186-A188 WeakPolarHBondContact OD1-CA 3.5Å; D186-A188 WeakPolarHBondContact OD1-CB 3.35Å; D186-A188 PolarHBondContact OD1-N 2.91Å; A188-F190 VanDerWaalsContact C-N 3.28Å; A188-F190 PolarHBondContact O-N 2.91Å; A188-K191 PolarHBondContact O-N 2.87Å; A188-E192 PolarHBondContact O-N 2.6Å |
| 189 | E | 42.5 | Very low | 38.1 | Very low | 95 Ų | 95 | 101.4 Ų | 101.4 | 44% | 0.444 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.4 | -35.5 | 171.7 | -72.3 | -175.4 | 167 | 0 | 0 | 111 | I185 D186 K191 E192 I193 | I185-E189 WeakPolarHBondContact CA-OE2 3.49Å; I185-E189 HydrophobicContact CG2-CB 3.5Å; I185-E189 VanDerWaalsContact CG2-CB 3.5Å; D186-E189 PolarHBondContact O-N 3.13Å; D186-E189 VanDerWaalsContact O-N 3.15Å; D186-E189 WeakPolarHBondContact OD1-CG 3.49Å; D186-E189 PolarHBondContact OD1-N 3.48Å; E189-K191 VanDerWaalsContact C-N 3.34Å; E189-K191 PolarHBondContact O-N 2.75Å; E189-E192 PolarHBondContact O-N 3.19Å; E189-I193 WeakPolarHBondContact O-CD1 3.01Å; E189-I193 WeakPolarHBondContact O-CG1 3.45Å; E189-I193 PolarHBondContact O-N 3.46Å |
| 190 | F | 40.9 | Very low | 38 | Very low | 86 Ų | 86 | 103.5 Ų | 103.5 | 38% | 0.377 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.5 | -40.2 | 173.7 | -169.1 | -90.5 | 0 | 0 | 0 | 111.6 | I185 D186 A188 I193 F194 | I185-F190 HydrophobicContact CG2-CB 4.21Å; D186-F190 PolarHBondContact O-N 3.36Å; A188-F190 VanDerWaalsContact C-N 3.28Å; A188-F190 PolarHBondContact O-N 2.91Å; F190-I193 PolarHBondContact O-N 3.27Å; F190-F194 AromaticContact CD1-CD2 3.86Å; F190-F194 HydrophobicContact CD1-CD2 3.86Å; F190-F194 AromaticContact CD2-CD2 3.74Å; F190-F194 HydrophobicContact CD2-CD2 3.74Å; F190-F194 AromaticContact CD2-CE2 3.72Å; F190-F194 HydrophobicContact CD2-CE2 3.72Å; F190-F194 HydrophobicContact CE1-CB 4.31Å; F190-F194 AromaticContact CE1-CD2 3.59Å; F190-F194 HydrophobicContact CE1-CD2 3.59Å; F190-F194 HydrophobicContact CE1-CE2 4.21Å; F190-F194 HydrophobicContact CE1-CG 4.14Å; F190-F194 AromaticContact CE2-CD2 3.48Å; F190-F194 HydrophobicContact CE2-CD2 3.48Å; F190-F194 VanDerWaalsContact CE2-CD2 3.48Å; F190-F194 AromaticContact CE2-CE2 3.25Å; F190-F194 HydrophobicContact CE2-CE2 3.25Å; F190-F194 HydrophobicContact CE2-CZ 4.22Å; F190-F194 AromaticContact CG-CD2 3.93Å; F190-F194 HydrophobicContact CG-CD2 3.93Å; F190-F194 HydrophobicContact CG-CE2 4.38Å; F190-F194 AromaticContact CZ-CD2 3.39Å; F190-F194 HydrophobicContact CZ-CD2 3.39Å; F190-F194 AromaticContact CZ-CE2 3.53Å; F190-F194 HydrophobicContact CZ-CE2 3.53Å; F190-F194 HydrophobicContact CZ-CG 4.13Å; F190-F194 HydrophobicContact CZ-CZ 4.34Å; F190-F194 WeakPolarHBondContact O-CB 3.22Å; F190-F194 WeakPolarHBondContact O-CD2 3.23Å; F190-F194 PolarHBondContact O-N 2.85Å |
| 191 | K | 40.3 | Very low | 38.2 | Very low | 123 Ų | 123 | 105 Ų | 105 | 54% | 0.535 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.3 | -26.2 | 176.3 | -75.3 | -178.3 | 175.4 | -136.9 | 0 | 113.8 | D187 A188 E189 F194 E196 | D187-K191 VanDerWaalsContact O-CG 3.31Å; D187-K191 WeakPolarHBondContact O-CG 3.35Å; D187-K191 PolarHBondContact O-N 3.19Å; A188-K191 PolarHBondContact O-N 2.87Å; E189-K191 VanDerWaalsContact C-N 3.34Å; E189-K191 PolarHBondContact O-N 2.75Å; K191-F194 CarbonylContact O-C 3.52Å; K191-E196 IonicContact NZ-OE1 3.18Å; K191-E196 PolarHBondContact NZ-OE1 3.29Å; K191-E196 VanDerWaalsContact NZ-OE1 3.08Å |
| 192 | E | 44.5 | Very low | 37.8 | Very low | 167 Ų | 167 | 104 Ų | 104 | 78% | 0.78 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.3 | -36.3 | 168.6 | -79.9 | -169.4 | 158.3 | 0 | 0 | 112.2 | A188 E189 | A188-E192 PolarHBondContact O-N 2.6Å; E189-E192 PolarHBondContact O-N 3.19Å |
| 193 | I | 41.4 | Very low | 37.5 | Very low | 81 Ų | 81 | 101.5 Ų | 101.5 | 42% | 0.415 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -77 | -35.7 | 179.5 | -64.6 | 161.7 | 0 | 0 | 0 | 111.8 | I185 E189 F190 P195 | I185-I193 HydrophobicContact CD1-CD1 4.08Å; I185-I193 HydrophobicContact CG2-CD1 4Å; E189-I193 WeakPolarHBondContact O-CD1 3.01Å; E189-I193 WeakPolarHBondContact O-CG1 3.45Å; E189-I193 PolarHBondContact O-N 3.46Å; F190-I193 PolarHBondContact O-N 3.27Å; I193-P195 WeakPolarHBondContact O-CD 3.14Å |
| 194 | F | 42.5 | Very low | 37.1 | Very low | 79 Ų | 79 | 101 Ų | 101 | 35% | 0.346 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -116.8 | 83.5 | 179.6 | -61.6 | -81.8 | 0 | 0 | 0 | 109.6 | F190 K191 E196 F232 | F190-F194 AromaticContact CD1-CD2 3.86Å; F190-F194 HydrophobicContact CD1-CD2 3.86Å; F190-F194 AromaticContact CD2-CD2 3.74Å; F190-F194 HydrophobicContact CD2-CD2 3.74Å; F190-F194 AromaticContact CD2-CE2 3.72Å; F190-F194 HydrophobicContact CD2-CE2 3.72Å; F190-F194 HydrophobicContact CE1-CB 4.31Å; F190-F194 AromaticContact CE1-CD2 3.59Å; F190-F194 HydrophobicContact CE1-CD2 3.59Å; F190-F194 HydrophobicContact CE1-CE2 4.21Å; F190-F194 HydrophobicContact CE1-CG 4.14Å; F190-F194 AromaticContact CE2-CD2 3.48Å; F190-F194 HydrophobicContact CE2-CD2 3.48Å; F190-F194 VanDerWaalsContact CE2-CD2 3.48Å; F190-F194 AromaticContact CE2-CE2 3.25Å; F190-F194 HydrophobicContact CE2-CE2 3.25Å; F190-F194 HydrophobicContact CE2-CZ 4.22Å; F190-F194 AromaticContact CG-CD2 3.93Å; F190-F194 HydrophobicContact CG-CD2 3.93Å; F190-F194 HydrophobicContact CG-CE2 4.38Å; F190-F194 AromaticContact CZ-CD2 3.39Å; F190-F194 HydrophobicContact CZ-CD2 3.39Å; F190-F194 AromaticContact CZ-CE2 3.53Å; F190-F194 HydrophobicContact CZ-CE2 3.53Å; F190-F194 HydrophobicContact CZ-CG 4.13Å; F190-F194 HydrophobicContact CZ-CZ 4.34Å; F190-F194 WeakPolarHBondContact O-CB 3.22Å; F190-F194 WeakPolarHBondContact O-CD2 3.23Å; F190-F194 PolarHBondContact O-N 2.85Å; K191-F194 CarbonylContact O-C 3.52Å; F194-E196 PolarHBondContact O-N 2.99Å; F194-F232 HydrophobicContact CE1-CE1 4.2Å; F194-F232 HydrophobicContact CE1-CZ 4.08Å |
| 195 | P | 38.9 | Very low | 36.9 | Very low | 83 Ų | 83 | 102.5 Ų | 102.5 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | trans | -58.9 | 136.6 | 175.5 | 23.9 | -32 | 0 | 0 | 0 | 109.5 | I193 T197 | I193-P195 WeakPolarHBondContact O-CD 3.14Å; P195-T197 PolarHBondContact O-N 3.26Å | ||
| 196 | E | 40.2 | Very low | 36.4 | Very low | 165 Ų | 165 | 103.1 Ų | 103.1 | 77% | 0.771 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -59.6 | 7.2 | -179.2 | -69.4 | 176.4 | 171.4 | 0 | 0 | 113.7 | K191 F194 | K191-E196 IonicContact NZ-OE1 3.18Å; K191-E196 PolarHBondContact NZ-OE1 3.29Å; K191-E196 VanDerWaalsContact NZ-OE1 3.08Å; F194-E196 PolarHBondContact O-N 2.99Å |
| 197 | T | 34 | Very low | 36 | Very low | 93 Ų | 93 | 110.3 Ų | 110.3 | 57% | 0.571 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -112.1 | 102.3 | -174.6 | 57.6 | 0 | 0 | 0 | 0 | 110.4 | P195 G199 | P195-T197 PolarHBondContact O-N 3.26Å; T197-G199 PolarHBondContact O-N 3.48Å; T197-G199 VanDerWaalsContact O-N 3.13Å |
| 198 | T | 37.1 | Very low | 35.6 | Very low | 138 Ų | 138 | 112.7 Ų | 112.7 | 85% | 0.847 | 59% | 0.588 | S | S | * | * | trans | 30.2 | 74.1 | 150.5 | 55.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 199 | G | 31.7 | Very low | 34.9 | Very low | 65 Ų | 65 | 119.9 Ų | 119.9 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | trans | -98.2 | 127.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | T197 I201 | T197-G199 PolarHBondContact O-N 3.48Å; T197-G199 VanDerWaalsContact O-N 3.13Å; G199-I201 PolarHBondContact O-N 3.38Å | ||
| 200 | E | 31.3 | Very low | 34.2 | Very low | 159 Ų | 159 | 120.5 Ų | 120.5 | 74% | 0.743 | 62% | 0.616 | S | S | * | * | trans | -72.4 | 122.5 | 166.3 | -73.1 | -175.1 | 167.9 | 0 | 0 | 109.9 | ||||
| 201 | I | 32.8 | Very low | 33.6 | Very low | 83 Ų | 83 | 123.8 Ų | 123.8 | 43% | 0.426 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 114.1 | 172.6 | -57.7 | 174.3 | 0 | 0 | 0 | 108.4 | L142 G199 L203 | L142-I201 HydrophobicContact CD1-CD1 4.2Å; G199-I201 PolarHBondContact O-N 3.38Å; I201-L203 HydrophobicContact CG2-CD2 4.32Å; I201-L203 HydrophobicContact CG2-CG 4.34Å |
| 202 | T | 30.1 | Very low | 32.9 | Very low | 73 Ų | 73 | 122.5 Ų | 122.5 | 45% | 0.448 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.7 | 116 | 172 | -56.4 | 0 | 0 | 0 | 0 | 110.2 | I204 | T202-I204 HydrophobicContact CG2-CG1 4.34Å |
| 203 | L | 31.7 | Very low | 32 | Very low | 86 Ų | 86 | 118 Ų | 118 | 45% | 0.45 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 106.1 | 175.3 | -67.8 | 166.3 | 0 | 0 | 0 | 110.9 | F128 I201 T205 | F128-L203 HydrophobicContact CD1-CD2 4.18Å; F128-L203 HydrophobicContact CE1-CD1 3.54Å; F128-L203 HydrophobicContact CE1-CD2 3.19Å; F128-L203 HydrophobicContact CE1-CG 3.97Å; F128-L203 HydrophobicContact CZ-CD1 3.72Å; F128-L203 HydrophobicContact CZ-CD2 3.52Å; F128-L203 HydrophobicContact CZ-CG 4.16Å; I201-L203 HydrophobicContact CG2-CD2 4.32Å; I201-L203 HydrophobicContact CG2-CG 4.34Å; L203-T205 PolarHBondContact O-N 3.04Å |
| 204 | I | 29.5 | Very low | 31.5 | Very low | 86 Ų | 86 | 122.7 Ų | 122.7 | 44% | 0.441 | 64% | 0.644 | S | S | . | * | trans | -86.9 | 96.4 | 170.7 | -56 | 176.1 | 0 | 0 | 0 | 107.9 | T202 | T202-I204 HydrophobicContact CG2-CG1 4.34Š| ||
| 205 | T | 30 | Very low | 30.7 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | trans | -86.7 | 109.5 | 171.1 | 52 | 0 | 0 | 0 | 0 | 109.7 | L203 R207 | L203-T205 PolarHBondContact O-N 3.04Å; T205-R207 PolarHBondContact O-N 3.31Å | ||
| 206 | C | 27.6 | Very low | 30.4 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | trans | -75.4 | 104.6 | 168.4 | -65.4 | 0 | 0 | 0 | 0 | 109.1 | Y208 | C206-Y208 PolarHBondContact O-N 2.76Š| ||
| 207 | R | 28 | Very low | 30.1 | Very low | 238 Ų | 238 | 119.8 Ų | 119.8 | 90% | 0.898 | 66% | 0.656 | S | S | * | * | trans | -65.5 | 97.9 | 165.2 | -81.2 | -173.8 | 175.8 | 176.6 | -0.3 | 108.8 | T205 R209 | T205-R207 PolarHBondContact O-N 3.31Å; R207-R209 PolarHBondContact O-N 3.42Å | ||
| 208 | Y | 29.3 | Very low | 30 | Very low | 188 Ų | 188 | 120.4 Ų | 120.4 | 74% | 0.737 | 66% | 0.664 | S | S | * | * | trans | -66.5 | 104.6 | 161.5 | -139.2 | -85.7 | 0 | 0 | 0 | 106.7 | C206 S210 | C206-Y208 PolarHBondContact O-N 2.76Å; Y208-S210 VanDerWaalsContact C-N 3.34Å; Y208-S210 PolarHBondContact O-N 3.39Å | ||
| 209 | R | 28.4 | Very low | 29.7 | Very low | 214 Ų | 214 | 123.9 Ų | 123.9 | 81% | 0.808 | 66% | 0.662 | S | S | * | * | trans | -54.9 | 108.5 | 159.5 | -85.6 | -170.9 | 176.1 | -160.4 | -1.8 | 105.6 | R207 H211 | R207-R209 PolarHBondContact O-N 3.42Å; R209-H211 PolarHBondContact O-N 3.49Å | ||
| 210 | S | 28.1 | Very low | 29.6 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | trans | -66.1 | 74.1 | 173.5 | 49 | 0 | 0 | 0 | 0 | 108.9 | Y208 S212 | Y208-S210 VanDerWaalsContact C-N 3.34Å; Y208-S210 PolarHBondContact O-N 3.39Å; S210-S212 PolarHBondContact O-N 3.37Å | ||
| 211 | H | 29 | Very low | 29.7 | Very low | 155 Ų | 155 | 124.4 Ų | 124.4 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | trans | -63.4 | 96.9 | 144.4 | -71.4 | -49.8 | 0 | 0 | 0 | 104.7 | R209 P213 | R209-H211 PolarHBondContact O-N 3.49Å; H211-P213 WeakPolarHBondContact O-CD 3.44Å | ||
| 212 | S | 24.6 | Very low | 29.7 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 67% | 0.668 | S | S | * | * | trans | -62 | 110 | 154.3 | 51.5 | 0 | 0 | 0 | 0 | 105.1 | S210 | S210-S212 PolarHBondContact O-N 3.37Š| ||
| 213 | P | 26.6 | Very low | 29.8 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 48% | 0.481 | 69% | 0.687 | S | S | . | * | trans | -58.6 | 152.7 | 164.2 | -0.3 | 5.1 | 0 | 0 | 0 | 106.9 | H211 S215 R221 | H211-P213 WeakPolarHBondContact O-CD 3.44Å; P213-S215 PolarHBondContact O-N 3.21Å; P213-R221 VanDerWaalsContact CB-NH2 3.31Å; P213-R221 VanDerWaalsContact CG-CZ 3.45Å; P213-R221 VanDerWaalsContact CG-NH2 3.27Å; P213-R221 PolarHBondContact O-NH2 3.11Å | ||
| 214 | H | 29.5 | Very low | 29.7 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | -45.3 | 131.5 | 177.4 | -62.8 | -78.9 | 0 | 0 | 0 | 113.2 | ||||
| 215 | S | 27.1 | Very low | 29.9 | Very low | 93 Ų | 93 | 146.6 Ų | 146.6 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -62.2 | 125.8 | 149.7 | 69.4 | 0 | 0 | 0 | 0 | 105.4 | P213 | P213-S215 PolarHBondContact O-N 3.21Š|
| 216 | N | 31.8 | Very low | 29.9 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 56% | 0.556 | 71% | 0.711 | S | S | * | * | 179 | 65.9 | 77.9 | -92.1 | -44.3 | 0 | 0 | 0 | 107.3 | R12 | R12-N216 PolarHBondContact NH1-O 3Å; R12-N216 PolarHBondContact NH2-O 3.36Å | |||
| 217 | G | 34.8 | Very low | 30.1 | Very low | 68 Ų | 68 | 143.8 Ų | 143.8 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -165 | 94.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 218 | S | 30.8 | Very low | 30.2 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | trans | 33.1 | 116.5 | 154.4 | -145.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 219 | R | 30.5 | Very low | 30.3 | Very low | 211 Ų | 211 | 132.9 Ų | 132.9 | 80% | 0.796 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 111.7 | 105.1 | 152.4 | -61.1 | 165 | 178.1 | -163.7 | -2.4 | 113.8 | ||
| 220 | S | 30.4 | Very low | 30.5 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 65% | 0.65 | 66% | 0.657 | S | S | * | * | trans | 45.8 | 80.3 | 141.8 | -168.2 | 0 | 0 | 0 | 0 | 114.6 | R222 | S220-R222 PolarHBondContact O-N 2.76Å; S220-R222 WeakPolarHBondContact OG-CG 3.48Å | ||
| 221 | R | 33.6 | Very low | 30.6 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 54% | 0.54 | 65% | 0.65 | S | S | . | * | trans | -72.7 | 86.9 | 152.6 | -76.5 | -167.4 | -173.8 | 162.3 | 15.5 | 107.4 | P213 Y223 | P213-R221 VanDerWaalsContact CB-NH2 3.31Å; P213-R221 VanDerWaalsContact CG-CZ 3.45Å; P213-R221 VanDerWaalsContact CG-NH2 3.27Å; P213-R221 PolarHBondContact O-NH2 3.11Å; R221-Y223 PolarHBondContact O-N 3.36Å | ||
| 222 | R | 32.2 | Very low | 30.7 | Very low | 206 Ų | 206 | 127 Ų | 127 | 78% | 0.777 | 64% | 0.641 | S | S | * | * | trans | -55 | 111.6 | 159.2 | -63.1 | -175.9 | -172.1 | 177.8 | 0.5 | 105.7 | S220 R224 | S220-R222 PolarHBondContact O-N 2.76Å; S220-R222 WeakPolarHBondContact OG-CG 3.48Å; R222-R224 VanDerWaalsContact C-N 3.33Å; R222-R224 PolarHBondContact O-N 3.11Å | ||
| 223 | Y | 32.2 | Very low | 30.9 | Very low | 219 Ų | 219 | 130.3 Ų | 130.3 | 86% | 0.859 | 64% | 0.644 | S | S | * | * | trans | -55.2 | 105.4 | 161 | -65.7 | -90.5 | 0 | 0 | 0 | 105.5 | R221 N225 | R221-Y223 PolarHBondContact O-N 3.36Å; Y223-N225 PolarHBondContact O-N 2.85Å | ||
| 224 | R | 29.5 | Very low | 31 | Very low | 226 Ų | 226 | 131.9 Ų | 131.9 | 85% | 0.853 | 66% | 0.656 | S | S | * | * | trans | -82.3 | 113.5 | 170.9 | -77.8 | -171.5 | 175.4 | -169.3 | -1.5 | 105.3 | R222 C226 | R222-R224 VanDerWaalsContact C-N 3.33Å; R222-R224 PolarHBondContact O-N 3.11Å; R224-C226 PolarHBondContact O-N 3.1Å | ||
| 225 | N | 33.9 | Very low | 31.2 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 122.8 | 173.6 | -59.4 | -18.3 | 0 | 0 | 0 | 108.9 | Y223 | Y223-N225 PolarHBondContact O-N 2.85Š|
| 226 | C | 29.2 | Very low | 31.6 | Very low | 75 Ų | 75 | 128.1 Ų | 128.1 | 51% | 0.507 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -84.1 | 119.3 | 160.4 | -88.7 | 0 | 0 | 0 | 0 | 106.8 | R224 V228 | R224-C226 PolarHBondContact O-N 3.1Å; C226-V228 PolarHBondContact O-N 3.16Å |
| 227 | P | 32.4 | Very low | 31.9 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 54% | 0.539 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 128.9 | 170.5 | 27.6 | -30.4 | 0 | 0 | 0 | 108.9 | ||
| 228 | V | 30.5 | Very low | 32.1 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 64% | 0.642 | 66% | 0.659 | S | S | * | * | trans | -84.6 | 114.7 | 164.1 | 177.1 | 0 | 0 | 0 | 0 | 105.8 | C226 I230 | C226-V228 PolarHBondContact O-N 3.16Å; V228-I230 HydrophobicContact CG1-CG1 4.43Å | ||
| 229 | H | 30.9 | Very low | 32.7 | Very low | 90 Ų | 90 | 131 Ų | 131 | 42% | 0.417 | 66% | 0.657 | S | S | . | * | trans | -91 | 119.1 | 172.1 | -77.2 | -97.3 | 0 | 0 | 0 | 108.6 | E164 | E164-H229 IonicContact OE1-CE1 3.84Å; E164-H229 IonicContact OE1-ND1 3.29Å; E164-H229 PolarHBondContact OE1-ND1 3.18Å | ||
| 230 | I | 32.6 | Very low | 33.5 | Very low | 72 Ų | 72 | 128.5 Ų | 128.5 | 37% | 0.369 | 66% | 0.659 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.8 | 116.9 | 167.7 | -58.8 | 171 | 0 | 0 | 0 | 105.7 | V228 F232 | V228-I230 HydrophobicContact CG1-CG1 4.43Å; I230-F232 HydrophobicContact CG2-CD2 4.4Å; I230-F232 HydrophobicContact CG2-CE1 4.24Å; I230-F232 HydrophobicContact CG2-CE2 3.81Å; I230-F232 HydrophobicContact CG2-CZ 3.72Å |
| 231 | R | 29.6 | Very low | 34 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 60% | 0.604 | 69% | 0.688 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.1 | 171.5 | -80 | -174.5 | 173.3 | 170.2 | -2.2 | 109 | ||
| 232 | F | 31.2 | Very low | 34 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 53% | 0.526 | 70% | 0.695 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.2 | 124.7 | 169.2 | -60 | -84.2 | 0 | 0 | 0 | 108.4 | F194 I230 | F194-F232 HydrophobicContact CE1-CE1 4.2Å; F194-F232 HydrophobicContact CE1-CZ 4.08Å; I230-F232 HydrophobicContact CG2-CD2 4.4Å; I230-F232 HydrophobicContact CG2-CE1 4.24Å; I230-F232 HydrophobicContact CG2-CE2 3.81Å; I230-F232 HydrophobicContact CG2-CZ 3.72Å |
| 233 | K | 29.7 | Very low | 34.1 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | trans | -97.5 | 104.8 | 162.9 | -89.1 | -177 | 175.9 | 175.5 | 0 | 107 | S235 | K233-S235 PolarHBondContact O-N 3.23Š| ||
| 234 | S | 29.2 | Very low | 34.2 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | trans | -68.1 | 112.2 | 163.4 | 45 | 0 | 0 | 0 | 0 | 108.2 | S236 | S234-S236 VanDerWaalsContact C-N 3.26Å; S234-S236 PolarHBondContact O-N 3.29Å | ||
| 235 | S | 33 | Very low | 34.5 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | trans | -70.3 | 88.1 | 161.9 | 54.2 | 0 | 0 | 0 | 0 | 107.9 | K233 S237 | K233-S235 PolarHBondContact O-N 3.23Å; S235-S237 VanDerWaalsContact C-N 3.33Å; S235-S237 PolarHBondContact O-N 3.05Å; S235-S237 VanDerWaalsContact O-N 3.08Å | ||
| 236 | S | 35.2 | Very low | 34.5 | Very low | 92 Ų | 92 | 121 Ų | 121 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | trans | -72.9 | 95.4 | 162.8 | 55.3 | 0 | 0 | 0 | 0 | 107.3 | S234 D238 | S234-S236 VanDerWaalsContact C-N 3.26Å; S234-S236 PolarHBondContact O-N 3.29Å; S236-D238 PolarHBondContact O-N 3.11Å | ||
| 237 | S | 38.7 | Very low | 34.8 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | trans | -71.9 | 87.5 | 161.2 | -67.3 | 0 | 0 | 0 | 0 | 107.5 | S235 S239 | S235-S237 VanDerWaalsContact C-N 3.33Å; S235-S237 PolarHBondContact O-N 3.05Å; S235-S237 VanDerWaalsContact O-N 3.08Å; S237-S239 VanDerWaalsContact C-N 3.31Å; S237-S239 PolarHBondContact O-N 3.19Å; S237-S239 PolarHBondContact O-OG 3.06Å | ||
| 238 | D | 38.9 | Very low | 35 | Very low | 140 Ų | 140 | 127 Ų | 127 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | trans | -59.9 | 99.3 | 163 | -82 | -25.8 | 0 | 0 | 0 | 107.5 | S236 | S236-D238 PolarHBondContact O-N 3.11Š| ||
| 239 | S | 43.4 | Very low | 35.4 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | trans | -112.1 | 72.9 | 171.2 | -40.6 | 0 | 0 | 0 | 0 | 106 | S237 | S237-S239 VanDerWaalsContact C-N 3.31Å; S237-S239 PolarHBondContact O-N 3.19Å; S237-S239 PolarHBondContact O-OG 3.06Å | ||
| 240 | D | 46.5 | Very low | 35.7 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | trans | -79.8 | 117.2 | 170.2 | -81.7 | -30.7 | 0 | 0 | 0 | 108.9 | ||||
| 241 | E | 40.6 | Very low | 36 | Very low | 267 Ų | 267 | 137.3 Ų | 137.3 | 100% | 1.248 | 74% | 0.744 | S | S | * | * | trans | -69.9 | 0 | 154.8 | -76.7 | -172.9 | 114.9 | 0 | 0 | 111.7 |
Retrieved 241 of 241 residues in 134.9 ms
(Link to these results)