| 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 | 35.8 | Very low | 40 | Very low | 224 Ų | 224 | 160.9 Ų | 160.9 | 100% | 1.103 | 82% | 0.822 | S | S | * | * | 0 | 128 | 0 | -84.9 | -170.7 | 156.6 | 0 | 0 | 108 | |||||
| 2 | F | 33.3 | Very low | 40.2 | Very low | 193 Ų | 193 | 155 Ų | 155 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | 28.5 | 135.5 | 151.3 | -56.8 | -81.3 | 0 | 0 | 0 | 118.4 | ||||
| 3 | A | 36.1 | Very low | 40.7 | Very low | 71 Ų | 71 | 153.4 Ų | 153.4 | 59% | 0.587 | 81% | 0.807 | S | S | * | * | cis | 176.8 | 147 | 19.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 4 | Y | 37.6 | Very low | 41.2 | Very low | 210 Ų | 210 | 153.9 Ų | 153.9 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | 30.8 | 127.2 | 146.3 | -48.6 | -78.5 | 0 | 0 | 0 | 121.7 | ||||
| 5 | C | 38 | Very low | 41 | Very low | 126 Ų | 126 | 151.4 Ų | 151.4 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | -177.7 | 140.6 | 90.7 | -97.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 6 | L | 49.3 | Very low | 41.3 | Very low | 138 Ų | 138 | 151.5 Ų | 151.5 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | trans | -83.2 | 141.5 | -176.4 | -68.1 | 143.7 | 0 | 0 | 0 | 111.1 | ||||
| 7 | F | 37 | Very low | 41.4 | Very low | 203 Ų | 203 | 153.9 Ų | 153.9 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -143.7 | 99.3 | 140.4 | -85.7 | -74.1 | 0 | 0 | 0 | 109.7 | ||||
| 8 | R | 41.5 | Very low | 41.9 | Very low | 236 Ų | 236 | 150.9 Ų | 150.9 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -78 | 113.3 | 164.7 | -73.6 | -170 | 178.4 | -167.2 | 0.5 | 107.8 | ||||
| 9 | I | 42.3 | Very low | 42.4 | Very low | 162 Ų | 162 | 151 Ų | 151 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -88.9 | 107.9 | 168.8 | -59.2 | 171.4 | 0 | 0 | 0 | 106.8 | ||||
| 10 | A | 45.8 | Very low | 42.9 | Very low | 83 Ų | 83 | 148.7 Ų | 148.7 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | trans | -92.2 | 132.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | S12 | A10-S12 PolarHBondContact O-N 3.18Š| ||
| 11 | P | 43.4 | Very low | 43.2 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -73.1 | 109 | 172.2 | 28.1 | -31 | 0 | 0 | 0 | 109.6 | T13 | P11-T13 PolarHBondContact O-N 3.49Š| ||
| 12 | S | 42.3 | Very low | 43.9 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | -75.8 | 113.4 | 168.4 | 76.5 | 0 | 0 | 0 | 0 | 109.2 | A10 Q14 | A10-S12 PolarHBondContact O-N 3.18Å; S12-Q14 PolarHBondContact O-N 3.15Å | ||
| 13 | T | 47.1 | Very low | 44.7 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -73.8 | 90.3 | 167 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | P11 C15 | P11-T13 PolarHBondContact O-N 3.49Å; T13-C15 PolarHBondContact O-N 3.1Å | ||
| 14 | Q | 47.5 | Very low | 45.3 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -84.9 | 97.8 | 166.7 | -68.5 | -174.3 | 10.5 | 0 | 0 | 108.4 | S12 I16 | S12-Q14 PolarHBondContact O-N 3.15Å; Q14-I16 PolarHBondContact O-N 3.35Å | ||
| 15 | C | 37.9 | Very low | 45.8 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -64 | 104.3 | 163 | -77 | 0 | 0 | 0 | 0 | 108.5 | T13 K17 | T13-C15 PolarHBondContact O-N 3.1Å; C15-K17 PolarHBondContact O-N 3.1Å | ||
| 16 | I | 45.7 | Very low | 46.4 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -67 | 98 | 168.3 | -59.1 | 172.9 | 0 | 0 | 0 | 106.9 | Q14 S18 | Q14-I16 PolarHBondContact O-N 3.35Å; I16-S18 VanDerWaalsContact C-N 3.34Å; I16-S18 PolarHBondContact O-N 2.71Å; I16-S18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | K | 43.8 | Very low | 46.5 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -73 | 94.4 | 162.5 | -69.5 | -176.7 | -179.3 | 179.6 | 0 | 106.9 | C15 N19 | C15-K17 PolarHBondContact O-N 3.1Å; K17-N19 PolarHBondContact O-N 3.41Å | ||
| 18 | S | 49.3 | Very low | 47.3 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -63.3 | 100 | 170 | 56.3 | 0 | 0 | 0 | 0 | 108.6 | I16 A20 | I16-S18 VanDerWaalsContact C-N 3.34Å; I16-S18 PolarHBondContact O-N 2.71Å; I16-S18 VanDerWaalsContact O-N 3.08Å; S18-A20 PolarHBondContact O-N 3.23Å | ||
| 19 | N | 52.6 | Low | 47.9 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -77.8 | 77.3 | 173.7 | -147.4 | 2.4 | 0 | 0 | 0 | 108.2 | K17 G21 | K17-N19 PolarHBondContact O-N 3.41Å; N19-G21 PolarHBondContact O-N 3.18Å | ||
| 20 | A | 51.8 | Low | 48.4 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -75.5 | 50.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S18 | S18-A20 PolarHBondContact O-N 3.23Š| ||
| 21 | G | 48.4 | Very low | 49 | Very low | 65 Ų | 65 | 133.3 Ų | 133.3 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | -130.9 | 10.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N19 | N19-G21 PolarHBondContact O-N 3.18Š| ||
| 22 | A | 52.3 | Low | 49.5 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -122.4 | 14.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 23 | F | 48.3 | Very low | 50.5 | Low | 197 Ų | 197 | 134.9 Ų | 134.9 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -125.7 | 5.7 | -176.3 | -114.2 | -89.3 | 0 | 0 | 0 | 117.7 | ||
| 24 | L | 50.3 | Low | 51.2 | Low | 170 Ų | 170 | 136.6 Ų | 136.6 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -113.1 | 11.7 | 178 | -67.2 | 178.2 | 0 | 0 | 0 | 115.1 | ||
| 25 | S | 48.2 | Very low | 51.7 | Low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -97.9 | 3.1 | -177.3 | 56.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 26 | R | 50.5 | Low | 52.8 | Low | 220 Ų | 220 | 133.5 Ų | 133.5 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -103.6 | 25.4 | -175.2 | -64.6 | -166.6 | -171.2 | -156 | 4.1 | 115.7 | ||
| 27 | I | 49.9 | Very low | 53.4 | Low | 144 Ų | 144 | 129.7 Ų | 129.7 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -114.8 | -2.4 | 177.3 | -57.5 | 177.7 | 0 | 0 | 0 | 112.8 | ||
| 28 | S | 55.5 | Low | 54.1 | Low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -92.9 | 0.8 | -175.8 | 62 | 0 | 0 | 0 | 0 | 115.9 | ||
| 29 | T | 53.7 | Low | 54.7 | Low | 116 Ų | 116 | 130.4 Ų | 130.4 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -82.2 | -9.9 | -176.2 | 47.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 30 | L | 52.8 | Low | 55.1 | Low | 158 Ų | 158 | 132.1 Ų | 132.1 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -94 | -3.2 | -176.8 | -63.7 | 179.7 | 0 | 0 | 0 | 115 | ||
| 31 | N | 57.3 | Low | 55.5 | Low | 142 Ų | 142 | 136.6 Ų | 136.6 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -110.7 | 48.3 | 176.5 | -69 | -38.9 | 0 | 0 | 0 | 112 | I33 | N31-I33 PolarHBondContact O-N 3.02Å; N31-I33 VanDerWaalsContact O-N 3.1Å | ||
| 32 | S | 55.3 | Low | 55.8 | Low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | -68.7 | 104.3 | 166.8 | -176 | 0 | 0 | 0 | 0 | 108.5 | Q34 | S32-Q34 PolarHBondContact O-N 3.03Å; S32-Q34 VanDerWaalsContact O-N 3.08Å | ||
| 33 | I | 61.9 | Low | 55.8 | Low | 145 Ų | 145 | 140.2 Ų | 140.2 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -64.9 | 108.5 | 171 | -62.5 | 167.1 | 0 | 0 | 0 | 106.6 | N31 T35 | N31-I33 PolarHBondContact O-N 3.02Å; N31-I33 VanDerWaalsContact O-N 3.1Å; I33-T35 HydrophobicContact CG2-CG2 4.48Å; I33-T35 PolarHBondContact O-N 3.19Å | ||
| 34 | Q | 62.7 | Low | 55.9 | Low | 170 Ų | 170 | 137.2 Ų | 137.2 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -63.9 | 101.6 | 172.5 | -67.7 | -176.1 | -9 | 0 | 0 | 108.8 | S32 C36 | S32-Q34 PolarHBondContact O-N 3.03Å; S32-Q34 VanDerWaalsContact O-N 3.08Å; Q34-C36 PolarHBondContact O-N 3.06Å | ||
| 35 | T | 57.1 | Low | 55.7 | Low | 125 Ų | 125 | 139 Ų | 139 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | trans | -81.9 | 98.1 | 169.9 | 57.5 | 0 | 0 | 0 | 0 | 107.7 | I33 G37 | I33-T35 HydrophobicContact CG2-CG2 4.48Å; I33-T35 PolarHBondContact O-N 3.19Å; T35-G37 PolarHBondContact O-N 3.41Å; T35-G37 VanDerWaalsContact O-N 3.14Å | ||
| 36 | C | 60.8 | Low | 55.5 | Low | 87 Ų | 87 | 138 Ų | 138 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | trans | -65.2 | 115.6 | 174 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | Q34 Y38 | Q34-C36 PolarHBondContact O-N 3.06Å; C36-Y38 HydrophobicContact CB-CD2 3.36Å; C36-Y38 HydrophobicContact CB-CE2 3.49Å; C36-Y38 VanDerWaalsContact CB-CE2 3.49Å; C36-Y38 PolarHBondContact O-N 2.95Å | ||
| 37 | G | 59.5 | Low | 55.3 | Low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 26.8 | -176 | 0 | 0 | 0 | 0 | 0 | 116 | T35 A39 | T35-G37 PolarHBondContact O-N 3.41Å; T35-G37 VanDerWaalsContact O-N 3.14Å; G37-A39 PolarHBondContact O-N 2.88Å |
| 38 | Y | 58.7 | Low | 55 | Low | 213 Ų | 213 | 134.8 Ų | 134.8 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -18.7 | -179.5 | -68.3 | -76.5 | 0 | 0 | 0 | 113.3 | C36 K40 | C36-Y38 HydrophobicContact CB-CD2 3.36Å; C36-Y38 HydrophobicContact CB-CE2 3.49Å; C36-Y38 VanDerWaalsContact CB-CE2 3.49Å; C36-Y38 PolarHBondContact O-N 2.95Å; Y38-K40 VanDerWaalsContact C-N 3.29Å; Y38-K40 PolarHBondContact O-N 3.41Å; Y38-K40 VanDerWaalsContact O-N 3.12Å |
| 39 | A | 60.6 | Low | 54.7 | Low | 94 Ų | 94 | 140.9 Ų | 140.9 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -86.4 | 63.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G37 K41 | G37-A39 PolarHBondContact O-N 2.88Å; A39-K41 PolarHBondContact O-N 3.43Å | ||
| 40 | K | 60.8 | Low | 54.5 | Low | 189 Ų | 189 | 139 Ų | 139 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -68.6 | 115.6 | 161.2 | -171.2 | 161.8 | -174.6 | 170.7 | 0 | 107.1 | Y38 V42 | Y38-K40 VanDerWaalsContact C-N 3.29Å; Y38-K40 PolarHBondContact O-N 3.41Å; Y38-K40 VanDerWaalsContact O-N 3.12Å; K40-V42 PolarHBondContact O-N 3.05Å | ||
| 41 | K | 60.6 | Low | 54 | Low | 198 Ų | 198 | 139.9 Ų | 139.9 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -56.1 | 114.5 | 169.9 | -73.6 | -162.2 | 178.7 | -172.8 | 0 | 107.7 | A39 A43 | A39-K41 PolarHBondContact O-N 3.43Å; K41-A43 PolarHBondContact O-N 2.89Å | ||
| 42 | V | 55 | Low | 53.8 | Low | 139 Ų | 139 | 140.3 Ų | 140.3 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -59.7 | 110.5 | 168.4 | -83.9 | 0 | 0 | 0 | 0 | 107.1 | K40 | K40-V42 PolarHBondContact O-N 3.05Š| ||
| 43 | A | 53.3 | Low | 54.1 | Low | 80 Ų | 80 | 144.6 Ų | 144.6 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | trans | -54.5 | 139.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | K41 K45 | K41-A43 PolarHBondContact O-N 2.89Å; A43-K45 VanDerWaalsContact C-N 3.26Å; A43-K45 PolarHBondContact O-N 3.45Å | ||
| 44 | P | 49.6 | Very low | 54.2 | Low | 134 Ų | 134 | 145.4 Ų | 145.4 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -68.2 | 90.3 | 178.9 | 28.5 | -31.9 | 0 | 0 | 0 | 108.1 | ||||
| 45 | K | 46.1 | Very low | 54.4 | Low | 207 Ų | 207 | 146 Ų | 146 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | trans | -72.3 | 135.2 | 168.9 | -126.6 | -175.7 | -178.3 | -175.9 | 0 | 107.2 | A43 | A43-K45 VanDerWaalsContact C-N 3.26Å; A43-K45 PolarHBondContact O-N 3.45Å | ||
| 46 | G | 44.5 | Very low | 55 | Low | 70 Ų | 70 | 147.8 Ų | 147.8 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -51.2 | 156.3 | -161.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | G48 | G46-G48 PolarHBondContact O-N 3.15Š| ||
| 47 | K | 46.7 | Very low | 55.8 | Low | 225 Ų | 225 | 151.9 Ų | 151.9 | 98% | 0.978 | 82% | 0.818 | S | S | * | * | trans | -41.2 | 104.9 | 171.5 | -64.9 | -175.2 | 175.8 | -179.1 | 0 | 111.9 | ||||
| 48 | G | 43 | Very low | 56.6 | Low | 71 Ų | 71 | 150.7 Ų | 150.7 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -102.9 | 123.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | G46 | G46-G48 PolarHBondContact O-N 3.15Š| ||
| 49 | K | 48.2 | Very low | 57.7 | Low | 221 Ų | 221 | 146.4 Ų | 146.4 | 96% | 0.961 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -59.6 | 139.5 | 176.6 | -71.2 | 175.9 | 173.2 | 179.6 | 0 | 110.8 | ||
| 50 | G | 51.2 | Low | 58.7 | Low | 76 Ų | 76 | 150.4 Ų | 150.4 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | 82.8 | 45.5 | 152.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 51 | M | 41.8 | Very low | 59.9 | Low | 178 Ų | 178 | 147.2 Ų | 147.2 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -89.9 | 101.1 | 149.5 | -110.6 | 169.7 | 70 | 0 | 0 | 106.4 | K53 | M51-K53 VanDerWaalsContact C-N 3.31Å; M51-K53 PolarHBondContact O-N 2.8Å | ||
| 52 | I | 52.8 | Low | 61.1 | Low | 151 Ų | 151 | 139.2 Ų | 139.2 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | trans | -53.5 | 108.8 | 157.6 | -67.5 | 164.8 | 0 | 0 | 0 | 104 | E54 | I52-E54 PolarHBondContact O-N 2.97Š| ||
| 53 | K | 62.1 | Low | 62.8 | Low | 191 Ų | 191 | 141.6 Ų | 141.6 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | -60.4 | 94.7 | 161.4 | -104.4 | -180 | 169.9 | -178.2 | 0 | 103.6 | M51 E55 | M51-K53 VanDerWaalsContact C-N 3.31Å; M51-K53 PolarHBondContact O-N 2.8Å; K53-E55 PolarHBondContact O-N 2.9Å | ||
| 54 | E | 63.8 | Low | 64.7 | Low | 162 Ų | 162 | 142.6 Ų | 142.6 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | -56.3 | 101.8 | 154 | -85.1 | -169.4 | 154.2 | 0 | 0 | 104.4 | I52 L56 | I52-E54 PolarHBondContact O-N 2.97Å; E54-L56 VanDerWaalsContact C-N 3.33Å; E54-L56 PolarHBondContact O-N 3.28Å | ||
| 55 | E | 65.7 | Low | 66.8 | Low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -63.2 | 104.9 | 172.5 | -173.5 | 166.5 | -160.6 | 0 | 0 | 104.9 | K53 K57 | K53-E55 PolarHBondContact O-N 2.9Å; E55-K57 PolarHBondContact O-N 3.1Å | ||
| 56 | L | 70.7 | Confident | 69 | Low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | trans | -61.3 | 88.9 | 179 | -67.1 | 173.6 | 0 | 0 | 0 | 107.7 | E54 G58 | E54-L56 VanDerWaalsContact C-N 3.33Å; E54-L56 PolarHBondContact O-N 3.28Å; L56-G58 PolarHBondContact O-N 3.11Å | ||
| 57 | K | 77 | Confident | 71.3 | Confident | 172 Ų | 172 | 137.7 Ų | 137.7 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 124.1 | 175 | -166.7 | -179 | 177.4 | -164.8 | 0 | 106.5 | E55 | E55-K57 PolarHBondContact O-N 3.1Š|
| 58 | G | 77.8 | Confident | 73.5 | Confident | 48 Ų | 48 | 130.9 Ų | 130.9 | 50% | 0.495 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 160.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L56 | L56-G58 PolarHBondContact O-N 3.11Š|
| 59 | P | 81.4 | Confident | 75.9 | Confident | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 148.4 | 176 | 25.5 | -33.7 | 0 | 0 | 0 | 110.8 | V61 | P59-V61 PolarHBondContact O-N 3.35Š|
| 60 | E | 81.6 | Confident | 78.1 | Confident | 178 Ų | 178 | 124.2 Ų | 124.2 | 83% | 0.832 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 130.6 | -179.6 | -61 | -168.7 | 159.9 | 0 | 0 | 110.5 | ||
| 61 | V | 86.2 | Confident | 80.2 | Confident | 121 Ų | 121 | 125 Ų | 125 | 73% | 0.733 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 131.1 | -177.8 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | P59 | P59-V61 PolarHBondContact O-N 3.35Š|
| 62 | C | 85.1 | Confident | 82.7 | Confident | 30 Ų | 30 | 118.1 Ų | 118.1 | 20% | 0.203 | 62% | 0.617 | C | S | . | * | P | Polyproline II helix | trans | -64 | 138.6 | 174.4 | 179.7 | 0 | 0 | 0 | 0 | 111 | D64 V73 | C62-D64 PolarHBondContact SG-N 3.49Å; C62-D64 PolarHBondContact SG-OD2 3.47Å; C62-V73 HydrophobicContact CB-CG1 4.12Å |
| 63 | K | 90.4 | Very high | 84.6 | Confident | 189 Ų | 189 | 113.2 Ų | 113.2 | 82% | 0.822 | 59% | 0.594 | S | S | * | * | trans | -110.7 | 3.1 | -179.5 | -59.6 | -176.9 | -175.9 | 177 | 0 | 113.4 | P65 | K63-P65 WeakPolarHBondContact O-CD 3.33Š| ||
| 64 | D | 92.6 | Very high | 85.9 | Confident | 101 Ų | 101 | 107 Ų | 107 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | trans | -80.7 | 118.1 | -175 | -57 | -43.4 | 0 | 0 | 0 | 110.5 | C62 V66 R67 L68 | C62-D64 PolarHBondContact SG-N 3.49Å; C62-D64 PolarHBondContact SG-OD2 3.47Å; D64-V66 VanDerWaalsContact C-N 3.34Å; D64-V66 PolarHBondContact O-N 3.26Å; D64-R67 HydrophobicContact CB-CB 4.15Å; D64-R67 PolarHBondContact O-N 3.41Å; D64-L68 WeakPolarHBondContact O-CG 3.31Å; D64-L68 PolarHBondContact O-N 3.27Å; D64-L68 VanDerWaalsContact O-N 3.12Å | ||
| 65 | P | 93.6 | Very high | 87.3 | Confident | 93 Ų | 93 | 103.7 Ų | 103.7 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.1 | -35.9 | -171.7 | 25 | -34 | 0 | 0 | 0 | 112.8 | K63 R67 L68 T69 | K63-P65 WeakPolarHBondContact O-CD 3.33Å; P65-R67 VanDerWaalsContact C-N 3.34Å; P65-R67 PolarHBondContact O-N 3.32Å; P65-L68 PolarHBondContact O-N 3.36Å; P65-T69 PolarHBondContact O-N 3.13Å; P65-T69 VanDerWaalsContact O-N 3.11Å; P65-T69 PolarHBondContact O-OG1 2.93Å |
| 66 | V | 93.8 | Very high | 88.6 | Confident | 110 Ų | 110 | 97 Ų | 97 | 67% | 0.667 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.4 | -41.9 | 179.3 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | D64 T69 S70 | D64-V66 VanDerWaalsContact C-N 3.34Å; D64-V66 PolarHBondContact O-N 3.26Å; V66-T69 PolarHBondContact O-N 3.12Å; V66-S70 WeakPolarHBondContact O-CB 3.11Å; V66-S70 PolarHBondContact O-N 2.87Å; V66-S70 VanDerWaalsContact O-N 3.1Å; V66-S70 PolarHBondContact O-OG 3.35Å |
| 67 | R | 91.6 | Very high | 89.6 | Confident | 105 Ų | 105 | 96.1 Ų | 96.1 | 40% | 0.396 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.8 | -42.9 | 179.8 | -169.5 | 177.6 | 170.6 | 99.9 | 3 | 111.1 | D64 P65 T69 S70 Y71 V73 D83 | D64-R67 HydrophobicContact CB-CB 4.15Å; D64-R67 PolarHBondContact O-N 3.41Å; P65-R67 VanDerWaalsContact C-N 3.34Å; P65-R67 PolarHBondContact O-N 3.32Å; R67-T69 VanDerWaalsContact C-N 3.27Å; R67-T69 PolarHBondContact O-N 3.21Å; R67-S70 PolarHBondContact O-N 2.84Å; R67-Y71 PolarHBondContact O-N 3.06Å; R67-V73 HydrophobicContact CG-CG2 3.88Å; R67-D83 IonicContact NH2-OD2 2.71Å |
| 68 | L | 93.6 | Very high | 90.4 | Very high | 83 Ų | 83 | 96 Ų | 96 | 44% | 0.435 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -29.7 | 178.4 | -68.6 | 172.3 | 0 | 0 | 0 | 113.5 | D64 P65 V73 | D64-L68 WeakPolarHBondContact O-CG 3.31Å; D64-L68 PolarHBondContact O-N 3.27Å; D64-L68 VanDerWaalsContact O-N 3.12Å; P65-L68 PolarHBondContact O-N 3.36Å; L68-V73 HydrophobicContact CD2-CB 4.24Å; L68-V73 HydrophobicContact CD2-CG2 4.21Å |
| 69 | T | 93.2 | Very high | 90.9 | Very high | 108 Ų | 108 | 103.3 Ų | 103.3 | 66% | 0.663 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -85.6 | -27.5 | 178.5 | -49.2 | 0 | 0 | 0 | 0 | 112.3 | P65 V66 R67 | P65-T69 PolarHBondContact O-N 3.13Å; P65-T69 VanDerWaalsContact O-N 3.11Å; P65-T69 PolarHBondContact O-OG1 2.93Å; V66-T69 PolarHBondContact O-N 3.12Å; R67-T69 VanDerWaalsContact C-N 3.27Å; R67-T69 PolarHBondContact O-N 3.21Å |
| 70 | S | 94.7 | Very high | 91.4 | Very high | 44 Ų | 44 | 104.9 Ų | 104.9 | 31% | 0.308 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -93 | -31.7 | -175.5 | -54.7 | 0 | 0 | 0 | 0 | 113.1 | V66 R67 K85 I86 | V66-S70 WeakPolarHBondContact O-CB 3.11Å; V66-S70 PolarHBondContact O-N 2.87Å; V66-S70 VanDerWaalsContact O-N 3.1Å; V66-S70 PolarHBondContact O-OG 3.35Å; R67-S70 PolarHBondContact O-N 2.84Å; S70-K85 VanDerWaalsContact O-CG 3.27Å; S70-K85 WeakPolarHBondContact O-CG 3.47Å; S70-I86 PolarHBondContact O-N 3.08Å |
| 71 | Y | 95.1 | Very high | 91.8 | Very high | 91 Ų | 91 | 99.2 Ų | 99.2 | 36% | 0.357 | 54% | 0.54 | S | S | . | . | B | Isolated β-bridge | trans | -128.7 | 144.8 | -174.5 | -67.5 | -90.6 | 0 | 0 | 0 | 110.6 | R67 V73 D83 K85 | R67-Y71 PolarHBondContact O-N 3.06Å; Y71-V73 VanDerWaalsContact C-N 3.25Å; Y71-V73 PolarHBondContact O-N 3.43Å; Y71-D83 WeakPolarHBondContact CD1-O 3.44Å; Y71-K85 HydrophobicContact CD1-CB 3.92Å; Y71-K85 HydrophobicContact CD1-CG 4.26Å; Y71-K85 HydrophobicContact CE1-CB 3.76Å; Y71-K85 HydrophobicContact CE1-CD 4.47Å; Y71-K85 HydrophobicContact CE1-CG 4.01Å |
| 72 | A | 93.6 | Very high | 92 | Very high | 34 Ų | 34 | 100.4 Ų | 100.4 | 28% | 0.281 | 54% | 0.542 | S | S | . | . | trans | -81.3 | 76.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G74 V75 P84 I86 | A72-G74 PolarHBondContact O-N 2.97Å; A72-V75 HydrophobicContact CB-CB 4.44Å; A72-V75 HydrophobicContact CB-CG2 3.64Å; A72-V75 WeakPolarHBondContact O-CB 3.28Å; A72-V75 VanDerWaalsContact O-CG2 3.32Å; A72-V75 WeakPolarHBondContact O-CG2 3.23Å; A72-V75 PolarHBondContact O-N 3.44Å; A72-P84 HydrophobicContact CB-CG 4.35Å; A72-P84 PolarHBondContact N-O 3.1Å; A72-I86 HydrophobicContact CB-CG1 4.47Å | ||
| 73 | V | 92.8 | Very high | 92.4 | Very high | 48 Ų | 48 | 100.2 Ų | 100.2 | 29% | 0.291 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 129 | -176.3 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | C62 R67 L68 Y71 | C62-V73 HydrophobicContact CB-CG1 4.12Å; R67-V73 HydrophobicContact CG-CG2 3.88Å; L68-V73 HydrophobicContact CD2-CB 4.24Å; L68-V73 HydrophobicContact CD2-CG2 4.21Å; Y71-V73 VanDerWaalsContact C-N 3.25Å; Y71-V73 PolarHBondContact O-N 3.43Å |
| 74 | G | 90 | Very high | 92.6 | Very high | 62 Ų | 62 | 94.2 Ų | 94.2 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | 7.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | A72 D83 | A72-G74 PolarHBondContact O-N 2.97Å; G74-D83 PolarHBondContact N-OD1 3.46Å; G74-D83 VanDerWaalsContact N-OD1 3.13Å |
| 75 | V | 93.3 | Very high | 92.7 | Very high | 91 Ų | 91 | 96 Ų | 96 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | trans | -79.9 | -35.2 | 171.4 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | A72 I77 P84 | A72-V75 HydrophobicContact CB-CB 4.44Å; A72-V75 HydrophobicContact CB-CG2 3.64Å; A72-V75 WeakPolarHBondContact O-CB 3.28Å; A72-V75 VanDerWaalsContact O-CG2 3.32Å; A72-V75 WeakPolarHBondContact O-CG2 3.23Å; A72-V75 PolarHBondContact O-N 3.44Å; V75-I77 PolarHBondContact O-N 3.13Å; V75-P84 HydrophobicContact CB-CG 4.06Å; V75-P84 HydrophobicContact CG1-CG 3.86Å | ||
| 76 | N | 93.3 | Very high | 92.8 | Very high | 42 Ų | 42 | 95.3 Ų | 95.3 | 23% | 0.225 | 51% | 0.513 | C | S | . | . | trans | -77.2 | 116.2 | 175.6 | -173.5 | 19.9 | 0 | 0 | 0 | 111 | Y78 Q80 G81 D83 | N76-Y78 WeakPolarHBondContact OD1-CB 3.27Å; N76-Y78 VanDerWaalsContact OD1-CD2 3.32Å; N76-Y78 WeakPolarHBondContact OD1-CD2 3.44Å; N76-Y78 PolarHBondContact OD1-N 3.34Å; N76-Q80 PolarHBondContact ND2-O 2.99Å; N76-G81 PolarHBondContact ND2-O 3.12Å; N76-D83 PolarHBondContact N-OD1 3.45Å | ||
| 77 | I | 91.9 | Very high | 92.9 | Very high | 145 Ų | 145 | 95.5 Ų | 95.5 | 74% | 0.744 | 51% | 0.505 | S | S | * | . | trans | -92.3 | -9.6 | 177 | 61.9 | 170.7 | 0 | 0 | 0 | 113.3 | V75 | V75-I77 PolarHBondContact O-N 3.13Š| ||
| 78 | Y | 92.7 | Very high | 93.1 | Very high | 171 Ų | 171 | 96 Ų | 96 | 67% | 0.671 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -83.8 | 151 | -178.5 | -58.3 | -71.1 | 0 | 0 | 0 | 111 | N76 Q80 | N76-Y78 WeakPolarHBondContact OD1-CB 3.27Å; N76-Y78 VanDerWaalsContact OD1-CD2 3.32Å; N76-Y78 WeakPolarHBondContact OD1-CD2 3.44Å; N76-Y78 PolarHBondContact OD1-N 3.34Å; Y78-Q80 WeakPolarHBondContact CB-O 3.32Å; Y78-Q80 PolarHBondContact O-N 3.48Å |
| 79 | K | 88.8 | Confident | 93.1 | Very high | 201 Ų | 201 | 95.8 Ų | 95.8 | 87% | 0.874 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -68.9 | -25.5 | 176.6 | -65.1 | -177.3 | -179.6 | -177.9 | 0 | 112.7 | ||
| 80 | Q | 91.9 | Very high | 93.2 | Very high | 155 Ų | 155 | 99.3 Ų | 99.3 | 72% | 0.724 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -112.9 | 144.2 | 177.9 | -63.9 | 85.5 | 3.9 | 0 | 0 | 109.4 | N76 Y78 | N76-Q80 PolarHBondContact ND2-O 2.99Å; Y78-Q80 WeakPolarHBondContact CB-O 3.32Å; Y78-Q80 PolarHBondContact O-N 3.48Å |
| 81 | G | 90 | Very high | 93.3 | Very high | 59 Ų | 59 | 102.4 Ų | 102.4 | 61% | 0.608 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 104 | 159 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N76 | N76-G81 PolarHBondContact ND2-O 3.12Š|
| 82 | D | 90.2 | Very high | 93.4 | Very high | 146 Ų | 146 | 102 Ų | 102 | 78% | 0.781 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -101.6 | 158 | -178.7 | -66.6 | -52.9 | 0 | 0 | 0 | 111.6 | ||
| 83 | D | 93 | Very high | 93.6 | Very high | 26 Ų | 26 | 103.3 Ų | 103.3 | 14% | 0.139 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 141.5 | 172.2 | -70.5 | -56.2 | 0 | 0 | 0 | 110.8 | R67 Y71 G74 N76 | R67-D83 IonicContact NH2-OD2 2.71Å; Y71-D83 WeakPolarHBondContact CD1-O 3.44Å; G74-D83 PolarHBondContact N-OD1 3.46Å; G74-D83 VanDerWaalsContact N-OD1 3.13Å; N76-D83 PolarHBondContact N-OD1 3.45Å |
| 84 | P | 94.3 | Very high | 93.7 | Very high | 63 Ų | 63 | 107.9 Ų | 107.9 | 41% | 0.409 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 138 | 178.1 | 25.9 | -31.1 | 0 | 0 | 0 | 111.3 | A72 V75 | A72-P84 HydrophobicContact CB-CG 4.35Å; A72-P84 PolarHBondContact N-O 3.1Å; V75-P84 HydrophobicContact CB-CG 4.06Å; V75-P84 HydrophobicContact CG1-CG 3.86Å |
| 85 | K | 95.7 | Very high | 94.1 | Very high | 140 Ų | 140 | 112.3 Ų | 112.3 | 61% | 0.609 | 56% | 0.556 | S | S | * | * | B | Isolated β-bridge | trans | -73 | 140.1 | 175.1 | -167.3 | 177.6 | 176.9 | 177.5 | 0 | 110.5 | S70 Y71 K87 | S70-K85 VanDerWaalsContact O-CG 3.27Å; S70-K85 WeakPolarHBondContact O-CG 3.47Å; Y71-K85 HydrophobicContact CD1-CB 3.92Å; Y71-K85 HydrophobicContact CD1-CG 4.26Å; Y71-K85 HydrophobicContact CE1-CB 3.76Å; Y71-K85 HydrophobicContact CE1-CD 4.47Å; Y71-K85 HydrophobicContact CE1-CG 4.01Å; K85-K87 PolarHBondContact O-N 3.26Å |
| 86 | I | 95.4 | Very high | 94.2 | Very high | 77 Ų | 77 | 111.2 Ų | 111.2 | 40% | 0.395 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 126 | 174 | -54.7 | -174.1 | 0 | 0 | 0 | 108.5 | S70 A72 | S70-I86 PolarHBondContact O-N 3.08Å; A72-I86 HydrophobicContact CB-CG1 4.47Å |
| 87 | K | 95 | Very high | 94.3 | Very high | 115 Ų | 115 | 115.4 Ų | 115.4 | 50% | 0.5 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -84.7 | 171.7 | -178.7 | -69.5 | 160.3 | 159.9 | -115.6 | 0 | 110.9 | K85 E91 Y92 | K85-K87 PolarHBondContact O-N 3.26Å; K87-E91 HydrophobicContact CB-CB 4.11Å; K87-E91 HydrophobicContact CB-CG 4.44Å; K87-E91 HydrophobicContact CD-CB 4.41Å; K87-E91 WeakPolarHBondContact CD-OE2 3.32Å; K87-E91 VanDerWaalsContact CE-OE2 3.31Å; K87-E91 WeakPolarHBondContact CE-OE2 3.44Å; K87-E91 VanDerWaalsContact CG-OE2 3.28Å; K87-E91 WeakPolarHBondContact CG-OE2 3.33Å; K87-E91 IonicContact NZ-OE2 3.6Å; K87-E91 PolarHBondContact NZ-OE2 3.16Å; K87-Y92 HydrophobicContact CB-CE2 3.76Å; K87-Y92 PolarHBondContact N-OH 3.39Å |
| 88 | L | 95.9 | Very high | 94.4 | Very high | 115 Ų | 115 | 114.7 Ų | 114.7 | 60% | 0.602 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -67 | 152 | 171.5 | -66.5 | 175.1 | 0 | 0 | 0 | 110.7 | E90 E91 Y92 | L88-E90 PolarHBondContact O-N 3.33Å; L88-E91 PolarHBondContact O-N 3.46Å; L88-E91 VanDerWaalsContact O-N 3.1Å; L88-Y92 WeakPolarHBondContact O-CD2 3.44Å |
| 89 | P | 94.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 111 Ų | 111 | 51% | 0.513 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -58.6 | -30.4 | -177.9 | 22.7 | -33.7 | 0 | 0 | 0 | 113.3 | E91 Y92 F97 | P89-E91 VanDerWaalsContact C-N 3.26Å; P89-E91 PolarHBondContact O-N 3.42Å; P89-Y92 PolarHBondContact O-N 2.91Å; P89-Y92 VanDerWaalsContact O-N 3.15Å; P89-F97 HydrophobicContact CB-CZ 3.95Å |
| 90 | E | 95.4 | Very high | 94.7 | Very high | 182 Ų | 182 | 106 Ų | 106 | 85% | 0.85 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -65.7 | -25.4 | 179 | -61.8 | 176.8 | -170.9 | 0 | 0 | 113.7 | L88 Y92 | L88-E90 PolarHBondContact O-N 3.33Å; E90-Y92 VanDerWaalsContact C-N 3.25Å; E90-Y92 PolarHBondContact O-N 3.28Å |
| 91 | E | 96.6 | Very high | 94.9 | Very high | 109 Ų | 109 | 106.7 Ų | 106.7 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -78.3 | -14 | 177 | -66.3 | -175.6 | -136.8 | 0 | 0 | 112.6 | K87 L88 P89 | K87-E91 HydrophobicContact CB-CB 4.11Å; K87-E91 HydrophobicContact CB-CG 4.44Å; K87-E91 HydrophobicContact CD-CB 4.41Å; K87-E91 WeakPolarHBondContact CD-OE2 3.32Å; K87-E91 VanDerWaalsContact CE-OE2 3.31Å; K87-E91 WeakPolarHBondContact CE-OE2 3.44Å; K87-E91 VanDerWaalsContact CG-OE2 3.28Å; K87-E91 WeakPolarHBondContact CG-OE2 3.33Å; K87-E91 IonicContact NZ-OE2 3.6Å; K87-E91 PolarHBondContact NZ-OE2 3.16Å; L88-E91 PolarHBondContact O-N 3.46Å; L88-E91 VanDerWaalsContact O-N 3.1Å; P89-E91 VanDerWaalsContact C-N 3.26Å; P89-E91 PolarHBondContact O-N 3.42Å |
| 92 | Y | 97.1 | Very high | 95 | Very high | 83 Ų | 83 | 106.4 Ų | 106.4 | 33% | 0.325 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -93.5 | 145.7 | 179.2 | -65.4 | -73.6 | 0 | 0 | 0 | 110.9 | K87 L88 P89 E90 L96 | K87-Y92 HydrophobicContact CB-CE2 3.76Å; K87-Y92 PolarHBondContact N-OH 3.39Å; L88-Y92 WeakPolarHBondContact O-CD2 3.44Å; P89-Y92 PolarHBondContact O-N 2.91Å; P89-Y92 VanDerWaalsContact O-N 3.15Å; E90-Y92 VanDerWaalsContact C-N 3.25Å; E90-Y92 PolarHBondContact O-N 3.28Å; Y92-L96 HydrophobicContact CD1-CD2 4.2Å; Y92-L96 HydrophobicContact CG-CD2 4.14Å |
| 93 | P | 97.1 | Very high | 95.1 | Very high | 61 Ų | 61 | 107 Ų | 107 | 40% | 0.396 | 54% | 0.535 | S | S | . | . | trans | -68.1 | 144.2 | -179.4 | 30.2 | -36.4 | 0 | 0 | 0 | 111.3 | W95 L96 | P93-W95 VanDerWaalsContact C-N 3.27Å; P93-W95 HydrophobicContact CB-CG 4.48Å; P93-W95 HydrophobicContact CG-CZ2 4Å; P93-W95 VanDerWaalsContact CG-NE1 3.32Å; P93-W95 PolarHBondContact O-N 2.83Å; P93-L96 VanDerWaalsContact O-CB 3.23Å; P93-L96 WeakPolarHBondContact O-CB 3.12Å; P93-L96 PolarHBondContact O-N 3.07Å | ||
| 94 | E | 96.8 | Very high | 95.1 | Very high | 144 Ų | 144 | 109.3 Ų | 109.3 | 67% | 0.673 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -57.8 | -36.6 | -173.3 | -166.4 | -172.7 | 163.4 | 0 | 0 | 113.5 | L96 F97 Q98 | E94-L96 PolarHBondContact O-N 3.33Å; E94-F97 PolarHBondContact O-N 3.05Å; E94-Q98 PolarHBondContact OE1-NE2 3.25Å; E94-Q98 VanDerWaalsContact OE1-NE2 3.1Å |
| 95 | W | 96.4 | Very high | 95 | Very high | 154 Ų | 154 | 111.6 Ų | 111.6 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -58.2 | -23.7 | -179.6 | 68.1 | -103.1 | 0 | 0 | 0 | 113 | P93 F97 Q98 L99 | P93-W95 VanDerWaalsContact C-N 3.27Å; P93-W95 HydrophobicContact CB-CG 4.48Å; P93-W95 HydrophobicContact CG-CZ2 4Å; P93-W95 VanDerWaalsContact CG-NE1 3.32Å; P93-W95 PolarHBondContact O-N 2.83Å; W95-F97 VanDerWaalsContact C-N 3.27Å; W95-F97 PolarHBondContact O-N 3.08Å; W95-Q98 PolarHBondContact O-N 3.37Å; W95-L99 HydrophobicContact CE3-CD2 4.32Å; W95-L99 HydrophobicContact CE3-CG 4.47Å; W95-L99 HydrophobicContact CZ3-CD1 4.16Å; W95-L99 HydrophobicContact CZ3-CD2 4.46Å |
| 96 | L | 96 | Very high | 94.8 | Very high | 68 Ų | 68 | 109.5 Ų | 109.5 | 36% | 0.356 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -61 | -39.2 | 177.5 | -178.6 | 63.4 | 0 | 0 | 0 | 111.4 | Y92 P93 E94 Q98 L99 | Y92-L96 HydrophobicContact CD1-CD2 4.2Å; Y92-L96 HydrophobicContact CG-CD2 4.14Å; P93-L96 VanDerWaalsContact O-CB 3.23Å; P93-L96 WeakPolarHBondContact O-CB 3.12Å; P93-L96 PolarHBondContact O-N 3.07Å; E94-L96 PolarHBondContact O-N 3.33Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-L99 HydrophobicContact CD1-CD1 4.19Å; L96-L99 WeakPolarHBondContact O-CG 3.48Å |
| 97 | F | 95.1 | Very high | 94.7 | Very high | 130 Ų | 130 | 107.1 Ų | 107.1 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -84.5 | -8.9 | -178.3 | -58.3 | -73.9 | 0 | 0 | 0 | 113 | P89 E94 W95 | P89-F97 HydrophobicContact CB-CZ 3.95Å; E94-F97 PolarHBondContact O-N 3.05Å; W95-F97 VanDerWaalsContact C-N 3.27Å; W95-F97 PolarHBondContact O-N 3.08Å |
| 98 | Q | 95.1 | Very high | 94.5 | Very high | 130 Ų | 130 | 108.8 Ų | 108.8 | 61% | 0.607 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -92.7 | 0.5 | 177.3 | -61.7 | 174.4 | -8.8 | 0 | 0 | 112.6 | E94 W95 L96 | E94-Q98 PolarHBondContact OE1-NE2 3.25Å; E94-Q98 VanDerWaalsContact OE1-NE2 3.1Å; W95-Q98 PolarHBondContact O-N 3.37Å; L96-Q98 VanDerWaalsContact C-N 3.32Å |
| 99 | L | 94.5 | Very high | 94.4 | Very high | 93 Ų | 93 | 108.1 Ų | 108.1 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -69.3 | 141.2 | 178.7 | -65 | 178.7 | 0 | 0 | 0 | 111.9 | W95 L96 L101 | W95-L99 HydrophobicContact CE3-CD2 4.32Å; W95-L99 HydrophobicContact CE3-CG 4.47Å; W95-L99 HydrophobicContact CZ3-CD1 4.16Å; W95-L99 HydrophobicContact CZ3-CD2 4.46Å; L96-L99 HydrophobicContact CD1-CD1 4.19Å; L96-L99 WeakPolarHBondContact O-CG 3.48Å; L99-L101 PolarHBondContact O-N 3.38Å |
| 100 | N | 93.1 | Very high | 94.3 | Very high | 98 Ų | 98 | 105.5 Ų | 105.5 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | trans | -77.4 | 105.9 | 173.1 | -176.4 | 7.9 | 0 | 0 | 0 | 110.2 | G102 E103 | N100-G102 WeakPolarHBondContact OD1-CA 3.46Å; N100-G102 PolarHBondContact OD1-N 3.38Å; N100-E103 PolarHBondContact ND2-O 2.98Å | ||
| 101 | L | 95.5 | Very high | 94.2 | Very high | 168 Ų | 168 | 103.7 Ų | 103.7 | 88% | 0.88 | 52% | 0.515 | S | S | * | . | trans | -85.3 | -9.5 | 175.6 | -58.8 | 178.1 | 0 | 0 | 0 | 113.4 | L99 | L99-L101 PolarHBondContact O-N 3.38Š| ||
| 102 | G | 92.8 | Very high | 93.9 | Very high | 54 Ų | 54 | 101.8 Ų | 101.8 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -88 | -155.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N100 | N100-G102 WeakPolarHBondContact OD1-CA 3.46Å; N100-G102 PolarHBondContact OD1-N 3.38Å |
| 103 | E | 92.6 | Very high | 93.7 | Very high | 159 Ų | 159 | 105.3 Ų | 105.3 | 74% | 0.743 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -62.1 | 144.7 | 175.8 | -66.5 | -171.3 | -179.4 | 0 | 0 | 111.6 | N100 K105 | N100-E103 PolarHBondContact ND2-O 2.98Å; E103-K105 PolarHBondContact O-N 2.99Å |
| 104 | A | 91.8 | Very high | 93.6 | Very high | 74 Ų | 74 | 105 Ų | 105 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 128.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | K106 | A104-K106 PolarHBondContact O-N 3.5Š|
| 105 | K | 92.4 | Very high | 93.5 | Very high | 111 Ų | 111 | 106.3 Ų | 106.3 | 48% | 0.483 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 132.9 | 179.8 | -64.1 | -174.5 | 178.9 | -175.3 | 0 | 111.6 | E103 E109 L110 | E103-K105 PolarHBondContact O-N 2.99Å; K105-E109 VanDerWaalsContact CA-OE2 3.31Å; K105-E109 WeakPolarHBondContact CA-OE2 3.38Å; K105-L110 HydrophobicContact CB-CD2 3.9Å; K105-L110 HydrophobicContact CB-CG 4.1Å; K105-L110 HydrophobicContact CD-CD2 3.81Å |
| 106 | K | 92.4 | Very high | 93.4 | Very high | 95 Ų | 95 | 104.7 Ų | 104.7 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 163.3 | 177.3 | -67.3 | 172 | -173.8 | 159.2 | 0 | 110 | A104 H108 E109 L110 | A104-K106 PolarHBondContact O-N 3.5Å; K106-H108 VanDerWaalsContact C-N 3.27Å; K106-H108 VanDerWaalsContact CB-CE1 3.49Å; K106-H108 WeakPolarHBondContact CB-CE1 3.35Å; K106-H108 VanDerWaalsContact CD-CE1 3.49Å; K106-H108 WeakPolarHBondContact CD-CE1 3.42Å; K106-H108 PolarHBondContact O-N 3.41Å; K106-E109 HydrophobicContact CB-CG 4.38Å; K106-E109 PolarHBondContact N-OE2 2.95Å; K106-E109 PolarHBondContact O-N 3.06Å; K106-E109 VanDerWaalsContact O-N 3.16Å; K106-L110 WeakPolarHBondContact O-CG 3.49Å; K106-L110 PolarHBondContact O-N 2.94Å |
| 107 | L | 93.1 | Very high | 93.4 | Very high | 28 Ų | 28 | 103.7 Ų | 103.7 | 15% | 0.147 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -59.4 | -37.3 | -176.9 | -174.8 | 66.8 | 0 | 0 | 0 | 112.9 | E109 L110 Y117 R120 L121 E124 | L107-E109 VanDerWaalsContact C-N 3.28Å; L107-E109 PolarHBondContact O-N 3.08Å; L107-L110 PolarHBondContact O-N 2.87Å; L107-Y117 HydrophobicContact CD1-CD2 3.51Å; L107-Y117 HydrophobicContact CD1-CE2 3.42Å; L107-Y117 VanDerWaalsContact CD1-CE2 3.42Å; L107-Y117 HydrophobicContact CD1-CG 4.11Å; L107-Y117 HydrophobicContact CG-CD2 4.26Å; L107-Y117 HydrophobicContact CG-CE2 3.78Å; L107-R120 HydrophobicContact CB-CG 4.19Å; L107-R120 HydrophobicContact CD1-CB 4.09Å; L107-R120 HydrophobicContact CD1-CG 4.03Å; L107-L121 HydrophobicContact CD1-CB 3.94Å; L107-L121 HydrophobicContact CD2-CB 4.46Å; L107-L121 HydrophobicContact CD2-CD1 3.69Å; L107-E124 WeakPolarHBondContact CD2-OE2 3.48Å |
| 108 | H | 91 | Very high | 93.4 | Very high | 150 Ų | 150 | 103.5 Ų | 103.5 | 69% | 0.694 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -73.5 | -17.9 | -178.9 | 65.8 | -90.3 | 0 | 0 | 0 | 114.1 | K106 | K106-H108 VanDerWaalsContact C-N 3.27Å; K106-H108 VanDerWaalsContact CB-CE1 3.49Å; K106-H108 WeakPolarHBondContact CB-CE1 3.35Å; K106-H108 VanDerWaalsContact CD-CE1 3.49Å; K106-H108 WeakPolarHBondContact CD-CE1 3.42Å; K106-H108 PolarHBondContact O-N 3.41Å |
| 109 | E | 92.6 | Very high | 93.4 | Very high | 100 Ų | 100 | 103.8 Ų | 103.8 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -89.2 | -12.3 | 177.5 | -61.7 | 160.5 | -167.5 | 0 | 0 | 111.6 | K105 K106 L107 | K105-E109 VanDerWaalsContact CA-OE2 3.31Å; K105-E109 WeakPolarHBondContact CA-OE2 3.38Å; K106-E109 HydrophobicContact CB-CG 4.38Å; K106-E109 PolarHBondContact N-OE2 2.95Å; K106-E109 PolarHBondContact O-N 3.06Å; K106-E109 VanDerWaalsContact O-N 3.16Å; L107-E109 VanDerWaalsContact C-N 3.28Å; L107-E109 PolarHBondContact O-N 3.08Å |
| 110 | L | 92.9 | Very high | 93.4 | Very high | 24 Ų | 24 | 102.3 Ų | 102.3 | 13% | 0.126 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -94.2 | 139.4 | -178.7 | -68.8 | 170.7 | 0 | 0 | 0 | 110.1 | K105 K106 L107 Q116 Y117 R120 | K105-L110 HydrophobicContact CB-CD2 3.9Å; K105-L110 HydrophobicContact CB-CG 4.1Å; K105-L110 HydrophobicContact CD-CD2 3.81Å; K106-L110 WeakPolarHBondContact O-CG 3.49Å; K106-L110 PolarHBondContact O-N 2.94Å; L107-L110 PolarHBondContact O-N 2.87Å; L110-Q116 HydrophobicContact CD2-CB 4.42Å; L110-Y117 HydrophobicContact CB-CD2 3.93Å; L110-Y117 WeakPolarHBondContact O-CD2 3.48Å; L110-R120 HydrophobicContact CD1-CB 3.94Å; L110-R120 HydrophobicContact CD1-CG 4.22Å |
| 111 | E | 92.5 | Very high | 93.6 | Very high | 144 Ų | 144 | 99.5 Ų | 99.5 | 67% | 0.673 | 49% | 0.491 | S | S | * | . | trans | -71.1 | 133.5 | 176.1 | -68.6 | 178.2 | -177.4 | 0 | 0 | 111.3 | D113 T114 Y117 | E111-D113 PolarHBondContact O-N 2.94Å; E111-D113 VanDerWaalsContact O-N 3.12Å; E111-T114 PolarHBondContact O-N 3.14Å; E111-T114 VanDerWaalsContact O-N 3.15Å; E111-Y117 WeakPolarHBondContact O-CB 3.48Å | ||
| 112 | P | 91.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 98 Ų | 98 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.6 | -176.5 | -28.4 | 36 | 0 | 0 | 0 | 115.3 | T114 Y117 W118 | P112-T114 VanDerWaalsContact C-N 3.3Å; P112-T114 PolarHBondContact O-N 2.84Å; P112-Y117 HydrophobicContact CB-CE1 4.34Å; P112-Y117 WeakPolarHBondContact O-CD1 3.31Å; P112-W118 PolarHBondContact O-NE1 3Å |
| 113 | D | 92.3 | Very high | 93.8 | Very high | 157 Ų | 157 | 100.6 Ų | 100.6 | 84% | 0.84 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -0.2 | -174.3 | -63.1 | -23.6 | 0 | 0 | 0 | 113.3 | E111 | E111-D113 PolarHBondContact O-N 2.94Å; E111-D113 VanDerWaalsContact O-N 3.12Å |
| 114 | T | 94.9 | Very high | 94 | Very high | 54 Ų | 54 | 95.8 Ų | 95.8 | 33% | 0.331 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -92.4 | 142.1 | 179.8 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | E111 P112 Q116 Y117 | E111-T114 PolarHBondContact O-N 3.14Å; E111-T114 VanDerWaalsContact O-N 3.15Å; P112-T114 VanDerWaalsContact C-N 3.3Å; P112-T114 PolarHBondContact O-N 2.84Å; T114-Q116 HydrophobicContact CG2-CB 4.04Å; T114-Q116 HydrophobicContact CG2-CG 4.13Å; T114-Q116 PolarHBondContact O-N 3.22Å; T114-Q116 VanDerWaalsContact O-N 3.13Å; T114-Y117 WeakPolarHBondContact O-CB 3.48Å; T114-Y117 PolarHBondContact O-N 2.95Å |
| 115 | W | 94.1 | Very high | 94.3 | Very high | 172 Ų | 172 | 96 Ų | 96 | 65% | 0.652 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -54 | -35.3 | 175 | 175.7 | -117.6 | 0 | 0 | 0 | 113.9 | Y117 W118 K119 | W115-Y117 VanDerWaalsContact C-N 3.32Å; W115-Y117 PolarHBondContact O-N 3.39Å; W115-W118 PolarHBondContact O-N 3.28Å; W115-K119 WeakPolarHBondContact O-CB 3.45Å; W115-K119 PolarHBondContact O-N 3.31Å |
| 116 | Q | 93.9 | Very high | 94.5 | Very high | 119 Ų | 119 | 96 Ų | 96 | 56% | 0.556 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.5 | -38.5 | 178.5 | -62.3 | -174.9 | -5 | 0 | 0 | 112.5 | L110 T114 K119 R120 | L110-Q116 HydrophobicContact CD2-CB 4.42Å; T114-Q116 HydrophobicContact CG2-CB 4.04Å; T114-Q116 HydrophobicContact CG2-CG 4.13Å; T114-Q116 PolarHBondContact O-N 3.22Å; T114-Q116 VanDerWaalsContact O-N 3.13Å; Q116-K119 PolarHBondContact O-N 3.1Å; Q116-R120 WeakPolarHBondContact O-CB 3.46Å; Q116-R120 PolarHBondContact O-N 2.83Å |
| 117 | Y | 96 | Very high | 94.7 | Very high | 47 Ų | 47 | 97.2 Ų | 97.2 | 18% | 0.184 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.3 | -52 | 175.8 | 174.1 | -91.8 | 0 | 0 | 0 | 110.7 | L107 L110 E111 P112 T114 W115 K119 R120 L121 | L107-Y117 HydrophobicContact CD1-CD2 3.51Å; L107-Y117 HydrophobicContact CD1-CE2 3.42Å; L107-Y117 VanDerWaalsContact CD1-CE2 3.42Å; L107-Y117 HydrophobicContact CD1-CG 4.11Å; L107-Y117 HydrophobicContact CG-CD2 4.26Å; L107-Y117 HydrophobicContact CG-CE2 3.78Å; L110-Y117 HydrophobicContact CB-CD2 3.93Å; L110-Y117 WeakPolarHBondContact O-CD2 3.48Å; E111-Y117 WeakPolarHBondContact O-CB 3.48Å; P112-Y117 HydrophobicContact CB-CE1 4.34Å; P112-Y117 WeakPolarHBondContact O-CD1 3.31Å; T114-Y117 WeakPolarHBondContact O-CB 3.48Å; T114-Y117 PolarHBondContact O-N 2.95Å; W115-Y117 VanDerWaalsContact C-N 3.32Å; W115-Y117 PolarHBondContact O-N 3.39Å; Y117-K119 VanDerWaalsContact C-N 3.34Å; Y117-K119 PolarHBondContact O-N 2.91Å; Y117-R120 WeakPolarHBondContact O-CB 3.37Å; Y117-R120 PolarHBondContact O-N 3.25Å; Y117-R120 VanDerWaalsContact O-N 3.08Å; Y117-L121 HydrophobicContact CE1-CD2 4.29Å; Y117-L121 WeakPolarHBondContact O-CB 3.49Å; Y117-L121 PolarHBondContact O-N 3.48Å |
| 118 | W | 95.6 | Very high | 94.9 | Very high | 126 Ų | 126 | 104 Ų | 104 | 48% | 0.477 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 179.9 | -67.8 | 104.1 | 0 | 0 | 0 | 113.2 | P112 W115 R120 L121 R122 | P112-W118 PolarHBondContact O-NE1 3Å; W115-W118 PolarHBondContact O-N 3.28Å; W118-R120 VanDerWaalsContact C-N 3.33Å; W118-R120 PolarHBondContact O-N 3.49Å; W118-L121 HydrophobicContact CE3-CD2 3.67Å; W118-L121 HydrophobicContact CZ3-CD2 3.51Å; W118-R122 WeakPolarHBondContact O-CB 3.49Å; W118-R122 PolarHBondContact O-N 3.38Å |
| 119 | K | 95.6 | Very high | 95.2 | Very high | 136 Ų | 136 | 101.2 Ų | 101.2 | 59% | 0.591 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | 173.1 | -174.6 | 179.9 | -179.9 | -178.7 | 0 | 111.2 | W115 Q116 Y117 K123 | W115-K119 WeakPolarHBondContact O-CB 3.45Å; W115-K119 PolarHBondContact O-N 3.31Å; Q116-K119 PolarHBondContact O-N 3.1Å; Y117-K119 VanDerWaalsContact C-N 3.34Å; Y117-K119 PolarHBondContact O-N 2.91Å; K119-K123 PolarHBondContact O-N 3.37Å |
| 120 | R | 95.6 | Very high | 95.4 | Very high | 62 Ų | 62 | 100.1 Ų | 100.1 | 23% | 0.234 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -67.5 | -48 | 177.8 | -176.7 | 66.8 | -167.2 | -164.3 | -1.5 | 111.6 | L107 L110 Q116 Y117 W118 R122 K123 E124 | L107-R120 HydrophobicContact CB-CG 4.19Å; L107-R120 HydrophobicContact CD1-CB 4.09Å; L107-R120 HydrophobicContact CD1-CG 4.03Å; L110-R120 HydrophobicContact CD1-CB 3.94Å; L110-R120 HydrophobicContact CD1-CG 4.22Å; Q116-R120 WeakPolarHBondContact O-CB 3.46Å; Q116-R120 PolarHBondContact O-N 2.83Å; Y117-R120 WeakPolarHBondContact O-CB 3.37Å; Y117-R120 PolarHBondContact O-N 3.25Å; Y117-R120 VanDerWaalsContact O-N 3.08Å; W118-R120 VanDerWaalsContact C-N 3.33Å; W118-R120 PolarHBondContact O-N 3.49Å; R120-R122 VanDerWaalsContact C-N 3.32Å; R120-R122 PolarHBondContact O-N 2.97Å; R120-K123 WeakPolarHBondContact O-CB 3.39Å; R120-K123 PolarHBondContact O-N 2.98Å; R120-K123 VanDerWaalsContact O-N 3.07Å; R120-E124 IonicContact CZ-OE1 3.41Å; R120-E124 IonicContact NE-OE1 2.83Å; R120-E124 PolarHBondContact NE-OE1 3.27Å; R120-E124 IonicContact NH2-OE1 3.1Å; R120-E124 PolarHBondContact NH2-OE1 2.98Å; R120-E124 VanDerWaalsContact NH2-OE1 3.1Å; R120-E124 PolarHBondContact O-N 2.92Å |
| 121 | L | 96.4 | Very high | 95.5 | Very high | 39 Ų | 39 | 107.1 Ų | 107.1 | 20% | 0.204 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -56.6 | -46 | 177.7 | -179.7 | 66.6 | 0 | 0 | 0 | 111.5 | L107 Y117 W118 K123 E124 N125 | L107-L121 HydrophobicContact CD1-CB 3.94Å; L107-L121 HydrophobicContact CD2-CB 4.46Å; L107-L121 HydrophobicContact CD2-CD1 3.69Å; Y117-L121 HydrophobicContact CE1-CD2 4.29Å; Y117-L121 WeakPolarHBondContact O-CB 3.49Å; Y117-L121 PolarHBondContact O-N 3.48Å; W118-L121 HydrophobicContact CE3-CD2 3.67Å; W118-L121 HydrophobicContact CZ3-CD2 3.51Å; L121-K123 VanDerWaalsContact C-N 3.31Å; L121-K123 PolarHBondContact O-N 3.34Å; L121-E124 PolarHBondContact O-N 3.03Å; L121-N125 PolarHBondContact O-N 3.49Å |
| 122 | R | 96.6 | Very high | 95.6 | Very high | 136 Ų | 136 | 104.9 Ų | 104.9 | 51% | 0.513 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 176.3 | -172.5 | -174.3 | -61.5 | 139.7 | 4.2 | 111.4 | W118 R120 N125 M126 | W118-R122 WeakPolarHBondContact O-CB 3.49Å; W118-R122 PolarHBondContact O-N 3.38Å; R120-R122 VanDerWaalsContact C-N 3.32Å; R120-R122 PolarHBondContact O-N 2.97Å; R122-N125 PolarHBondContact O-N 3.32Å; R122-M126 WeakPolarHBondContact O-CG 3.49Å; R122-M126 PolarHBondContact O-N 2.88Å |
| 123 | K | 96.8 | Very high | 95.6 | Very high | 110 Ų | 110 | 109.5 Ų | 109.5 | 48% | 0.478 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 179.7 | -163.3 | 178 | -168.4 | -173.3 | 0 | 111.7 | K119 R120 L121 M126 W127 | K119-K123 PolarHBondContact O-N 3.37Å; R120-K123 WeakPolarHBondContact O-CB 3.39Å; R120-K123 PolarHBondContact O-N 2.98Å; R120-K123 VanDerWaalsContact O-N 3.07Å; L121-K123 VanDerWaalsContact C-N 3.31Å; L121-K123 PolarHBondContact O-N 3.34Å; K123-M126 WeakPolarHBondContact O-CB 3.45Å; K123-M126 PolarHBondContact O-N 3.39Å; K123-W127 HydrophobicContact CD-CH2 3.88Å; K123-W127 HydrophobicContact CD-CZ2 3.62Å; K123-W127 HydrophobicContact CG-CD2 4.28Å; K123-W127 HydrophobicContact CG-CH2 4.1Å; K123-W127 HydrophobicContact CG-CZ2 3.72Å; K123-W127 VanDerWaalsContact O-CG 3.3Å; K123-W127 PolarHBondContact O-N 3.18Å |
| 124 | E | 96.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 110.6 Ų | 110.6 | 27% | 0.271 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 177.5 | -70.3 | -176.7 | -177.8 | 0 | 0 | 112.3 | L107 R120 L121 M126 W127 R128 | L107-E124 WeakPolarHBondContact CD2-OE2 3.48Å; R120-E124 IonicContact CZ-OE1 3.41Å; R120-E124 IonicContact NE-OE1 2.83Å; R120-E124 PolarHBondContact NE-OE1 3.27Å; R120-E124 IonicContact NH2-OE1 3.1Å; R120-E124 PolarHBondContact NH2-OE1 2.98Å; R120-E124 VanDerWaalsContact NH2-OE1 3.1Å; R120-E124 PolarHBondContact O-N 2.92Å; L121-E124 PolarHBondContact O-N 3.03Å; E124-M126 PolarHBondContact O-N 2.7Å; E124-W127 HydrophobicContact CB-CE3 4.44Å; E124-W127 HydrophobicContact CG-CE3 3.91Å; E124-W127 HydrophobicContact CG-CZ3 3.92Å; E124-W127 PolarHBondContact O-N 2.94Å; E124-R128 PolarHBondContact O-N 3.12Å |
| 125 | N | 97.3 | Very high | 95.2 | Very high | 79 Ų | 79 | 111.9 Ų | 111.9 | 42% | 0.422 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 173.5 | -75 | -16.3 | 0 | 0 | 0 | 112.4 | L121 R122 R128 N129 | L121-N125 PolarHBondContact O-N 3.49Å; R122-N125 PolarHBondContact O-N 3.32Å; N125-R128 PolarHBondContact O-N 3.46Å; N125-N129 WeakPolarHBondContact O-CB 3.43Å; N125-N129 VanDerWaalsContact O-CG 3.24Å; N125-N129 PolarHBondContact O-N 3.37Å; N125-N129 PolarHBondContact O-ND2 2.83Å |
| 126 | M | 97.4 | Very high | 94.9 | Very high | 109 Ų | 109 | 111.1 Ų | 111.1 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 173.4 | -73.3 | 176.3 | 68.3 | 0 | 0 | 111.7 | R122 K123 E124 N129 N130 | R122-M126 WeakPolarHBondContact O-CG 3.49Å; R122-M126 PolarHBondContact O-N 2.88Å; K123-M126 WeakPolarHBondContact O-CB 3.45Å; K123-M126 PolarHBondContact O-N 3.39Å; E124-M126 PolarHBondContact O-N 2.7Å; M126-N129 PolarHBondContact O-N 2.88Å; M126-N130 WeakPolarHBondContact O-CB 3.34Å; M126-N130 PolarHBondContact O-N 2.92Å; M126-N130 PolarHBondContact O-ND2 2.92Å |
| 127 | W | 96.8 | Very high | 93.9 | Very high | 121 Ų | 121 | 115.3 Ų | 115.3 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.5 | -66.7 | -28.7 | 0 | 0 | 0 | 112.2 | K123 E124 N129 N130 K131 | K123-W127 HydrophobicContact CD-CH2 3.88Å; K123-W127 HydrophobicContact CD-CZ2 3.62Å; K123-W127 HydrophobicContact CG-CD2 4.28Å; K123-W127 HydrophobicContact CG-CH2 4.1Å; K123-W127 HydrophobicContact CG-CZ2 3.72Å; K123-W127 VanDerWaalsContact O-CG 3.3Å; K123-W127 PolarHBondContact O-N 3.18Å; E124-W127 HydrophobicContact CB-CE3 4.44Å; E124-W127 HydrophobicContact CG-CE3 3.91Å; E124-W127 HydrophobicContact CG-CZ3 3.92Å; E124-W127 PolarHBondContact O-N 2.94Å; W127-N129 PolarHBondContact O-N 2.93Å; W127-N130 PolarHBondContact O-N 3.03Å; W127-K131 WeakPolarHBondContact O-CB 3.34Å; W127-K131 PolarHBondContact O-N 3.18Å |
| 128 | R | 97 | Very high | 92.4 | Very high | 170 Ų | 170 | 125.5 Ų | 125.5 | 64% | 0.642 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -56.7 | -50 | 173.8 | 179.4 | 178.5 | 177.3 | 158.1 | 0.5 | 111.2 | E124 N125 N130 K131 L132 | E124-R128 PolarHBondContact O-N 3.12Å; N125-R128 PolarHBondContact O-N 3.46Å; R128-N130 PolarHBondContact O-N 3.33Å; R128-K131 WeakPolarHBondContact O-CB 3.46Å; R128-K131 PolarHBondContact O-N 2.95Å; R128-L132 HydrophobicContact CG-CD1 4.02Å; R128-L132 HydrophobicContact CG-CG 4.48Å; R128-L132 WeakPolarHBondContact O-CG 3.39Å; R128-L132 PolarHBondContact O-N 3.44Å |
| 129 | N | 96.9 | Very high | 92.2 | Very high | 93 Ų | 93 | 125.5 Ų | 125.5 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64 | -40.9 | -179.2 | -71.6 | -12.6 | 0 | 0 | 0 | 112.3 | N125 M126 W127 K131 L132 R133 | N125-N129 WeakPolarHBondContact O-CB 3.43Å; N125-N129 VanDerWaalsContact O-CG 3.24Å; N125-N129 PolarHBondContact O-N 3.37Å; N125-N129 PolarHBondContact O-ND2 2.83Å; M126-N129 PolarHBondContact O-N 2.88Å; W127-N129 PolarHBondContact O-N 2.93Å; N129-K131 VanDerWaalsContact C-N 3.31Å; N129-K131 PolarHBondContact O-N 3.31Å; N129-L132 PolarHBondContact O-N 3.49Å; N129-R133 VanDerWaalsContact O-CB 3.3Å; N129-R133 WeakPolarHBondContact O-CB 3.3Å; N129-R133 PolarHBondContact O-N 2.85Å |
| 130 | N | 96.3 | Very high | 92.1 | Very high | 76 Ų | 76 | 124.9 Ų | 124.9 | 41% | 0.406 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.9 | -40.4 | 174.8 | -73.2 | -17.5 | 0 | 0 | 0 | 111.6 | M126 W127 R128 R133 K134 | M126-N130 WeakPolarHBondContact O-CB 3.34Å; M126-N130 PolarHBondContact O-N 2.92Å; M126-N130 PolarHBondContact O-ND2 2.92Å; W127-N130 PolarHBondContact O-N 3.03Å; R128-N130 PolarHBondContact O-N 3.33Å; N130-R133 PolarHBondContact O-N 3.09Å; N130-R133 PolarHBondContact OD1-NH2 2.75Å; N130-K134 PolarHBondContact O-N 3.03Å; N130-K134 VanDerWaalsContact O-N 3.09Å |
| 131 | K | 96 | Very high | 91.9 | Very high | 171 Ų | 171 | 128.4 Ų | 128.4 | 74% | 0.743 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.8 | -43.1 | 176.2 | -168.9 | 175.9 | -178.4 | 179.6 | 0 | 111.8 | W127 R128 N129 K134 | W127-K131 WeakPolarHBondContact O-CB 3.34Å; W127-K131 PolarHBondContact O-N 3.18Å; R128-K131 WeakPolarHBondContact O-CB 3.46Å; R128-K131 PolarHBondContact O-N 2.95Å; N129-K131 VanDerWaalsContact C-N 3.31Å; N129-K131 PolarHBondContact O-N 3.31Å; K131-K134 VanDerWaalsContact O-CB 3.32Å; K131-K134 WeakPolarHBondContact O-CB 3.32Å; K131-K134 PolarHBondContact O-N 3.45Å |
| 132 | L | 94.4 | Very high | 91.6 | Very high | 98 Ų | 98 | 133.7 Ų | 133.7 | 51% | 0.513 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.6 | -30.9 | 178 | -68.2 | 174.5 | 0 | 0 | 0 | 113.4 | R128 N129 K134 K136 | R128-L132 HydrophobicContact CG-CD1 4.02Å; R128-L132 HydrophobicContact CG-CG 4.48Å; R128-L132 WeakPolarHBondContact O-CG 3.39Å; R128-L132 PolarHBondContact O-N 3.44Å; N129-L132 PolarHBondContact O-N 3.49Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K136 VanDerWaalsContact O-CE 3.29Å; L132-K136 WeakPolarHBondContact O-CE 3.29Å |
| 133 | R | 92.3 | Very high | 91.3 | Very high | 167 Ų | 167 | 133.6 Ų | 133.6 | 63% | 0.63 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.9 | -22.8 | 175.6 | -172.2 | 172 | 63.3 | -150.6 | -3.7 | 112 | N129 N130 G135 K136 | N129-R133 VanDerWaalsContact O-CB 3.3Å; N129-R133 WeakPolarHBondContact O-CB 3.3Å; N129-R133 PolarHBondContact O-N 2.85Å; N130-R133 PolarHBondContact O-N 3.09Å; N130-R133 PolarHBondContact OD1-NH2 2.75Å; R133-G135 PolarHBondContact O-N 3.12Å; R133-G135 VanDerWaalsContact O-N 3.12Å; R133-K136 PolarHBondContact O-N 3.14Å; R133-K136 VanDerWaalsContact O-N 3.14Å |
| 134 | K | 93.8 | Very high | 90.9 | Very high | 179 Ų | 179 | 135.1 Ų | 135.1 | 78% | 0.778 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 116.7 | 178.3 | -166 | 176.9 | -177.9 | -178.5 | 0 | 109.4 | N130 K131 L132 | N130-K134 PolarHBondContact O-N 3.03Å; N130-K134 VanDerWaalsContact O-N 3.09Å; K131-K134 VanDerWaalsContact O-CB 3.32Å; K131-K134 WeakPolarHBondContact O-CB 3.32Å; K131-K134 PolarHBondContact O-N 3.45Å; L132-K134 VanDerWaalsContact C-N 3.33Å |
| 135 | G | 85.1 | Confident | 90.6 | Very high | 82 Ų | 82 | 140.6 Ų | 140.6 | 85% | 0.845 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.4 | -3.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R133 K137 | R133-G135 PolarHBondContact O-N 3.12Å; R133-G135 VanDerWaalsContact O-N 3.12Å; G135-K137 PolarHBondContact O-N 3.46Å |
| 136 | K | 87 | Confident | 90 | Very high | 156 Ų | 156 | 145.4 Ų | 145.4 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | trans | -75.8 | 122.4 | 167.7 | -66.6 | -172.3 | 177.6 | -173.4 | 0 | 108.8 | L132 R133 | L132-K136 VanDerWaalsContact O-CE 3.29Å; L132-K136 WeakPolarHBondContact O-CE 3.29Å; R133-K136 PolarHBondContact O-N 3.14Å; R133-K136 VanDerWaalsContact O-N 3.14Å | ||
| 137 | K | 72.4 | Confident | 89.4 | Confident | 207 Ų | 207 | 148.4 Ų | 148.4 | 90% | 0.9 | 70% | 0.698 | S | S | * | * | trans | -66.7 | 141.3 | 165.3 | -79.1 | -179.8 | 175.8 | 177.5 | 0 | 108.2 | G135 | G135-K137 PolarHBondContact O-N 3.46Š| ||
| 138 | M | 65.1 | Low | 88.8 | Confident | 261 Ų | 261 | 150.9 Ų | 150.9 | 100% | 1.286 | 72% | 0.72 | S | S | * | * | trans | -62.1 | 0 | 172.8 | -72.2 | -74.1 | -134.5 | 0 | 0 | 110.3 |
Retrieved 138 of 138 residues in 95 ms
(Link to these results)