| 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 | 35.2 | Very low | 41.9 | Very low | 250 Ų | 250 | 168.4 Ų | 168.4 | 100% | 1.232 | 87% | 0.87 | S | S | * | * | 0 | 86.2 | 0 | -74.7 | -82.7 | -161.1 | 0 | 0 | 108.5 | |||||
| 2 | G | 42.2 | Very low | 41.7 | Very low | 72 Ų | 72 | 172.3 Ų | 172.3 | 74% | 0.742 | 88% | 0.876 | S | S | * | * | trans | -125.1 | 107 | 176 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3 | K | 39.5 | Very low | 42 | Very low | 203 Ų | 203 | 174 Ų | 174 | 88% | 0.883 | 87% | 0.874 | S | S | * | * | trans | -86.8 | 108 | 176.8 | -73.5 | -176.1 | 177.8 | -177.8 | 0 | 108.4 | ||||
| 4 | I | 44.6 | Very low | 41.7 | Very low | 153 Ų | 153 | 178.4 Ų | 178.4 | 79% | 0.785 | 87% | 0.874 | S | S | * | * | trans | -77.3 | 119.8 | 169.8 | -64.2 | 162.1 | 0 | 0 | 0 | 106.6 | E6 | I4-E6 HydrophobicContact CG2-CG 4.29Š| ||
| 5 | T | 46 | Very low | 41.6 | Very low | 133 Ų | 133 | 179.9 Ų | 179.9 | 82% | 0.816 | 87% | 0.874 | S | S | * | * | trans | -109.2 | 104.7 | 173.5 | 31.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 6 | E | 49 | Very low | 41.7 | Very low | 181 Ų | 181 | 180.4 Ų | 180.4 | 85% | 0.846 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 122.6 | 173.2 | -72.7 | -174.4 | 156.9 | 0 | 0 | 109.5 | I4 | I4-E6 HydrophobicContact CG2-CG 4.29Š|
| 7 | E | 47.9 | Very low | 41.5 | Very low | 182 Ų | 182 | 180.5 Ų | 180.5 | 85% | 0.85 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 138.1 | 171.1 | -85.5 | -169.7 | 146.4 | 0 | 0 | 111.4 | ||
| 8 | P | 38.1 | Very low | 41.8 | Very low | 120 Ų | 120 | 178.9 Ų | 178.9 | 78% | 0.779 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 128 | -178.4 | 27.6 | -32.5 | 0 | 0 | 0 | 113.6 | F10 | P8-F10 PolarHBondContact O-N 2.85Š|
| 9 | L | 42.1 | Very low | 42 | Very low | 163 Ų | 163 | 176 Ų | 176 | 85% | 0.853 | 86% | 0.86 | S | S | * | * | S | Bend | trans | -79.9 | 62.3 | -171.7 | -156.1 | 94.1 | 0 | 0 | 0 | 114 | ||
| 10 | F | 36.8 | Very low | 42.6 | Very low | 204 Ų | 204 | 176 Ų | 176 | 90% | 0.895 | 86% | 0.864 | S | S | * | * | trans | -136.3 | 16.4 | 175.4 | -75.3 | -72.7 | 0 | 0 | 0 | 117.3 | P8 | P8-F10 PolarHBondContact O-N 2.85Š| ||
| 11 | Q | 39.8 | Very low | 43.2 | Very low | 191 Ų | 191 | 176.3 Ų | 176.3 | 89% | 0.893 | 86% | 0.864 | S | S | * | * | trans | -108.4 | 24 | 177.6 | -67.5 | -165 | 2.1 | 0 | 0 | 116.6 | K13 | Q11-K13 VanDerWaalsContact C-N 3.3Å; Q11-K13 PolarHBondContact O-N 3.31Å; Q11-K13 VanDerWaalsContact O-N 3.07Å | ||
| 12 | K | 39.3 | Very low | 44.6 | Very low | 216 Ų | 216 | 170.7 Ų | 170.7 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | trans | -84.7 | 68 | 168.7 | -93 | -176.4 | 176.5 | 174.8 | 0 | 112 | R14 | K12-R14 PolarHBondContact O-N 3.34Š| ||
| 13 | K | 45.2 | Very low | 45.8 | Very low | 194 Ų | 194 | 169.8 Ų | 169.8 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -75 | 109.2 | 161 | -75 | -174.5 | 177.9 | 179.5 | 0 | 108.4 | Q11 K15 | Q11-K13 VanDerWaalsContact C-N 3.3Å; Q11-K13 PolarHBondContact O-N 3.31Å; Q11-K13 VanDerWaalsContact O-N 3.07Å; K13-K15 PolarHBondContact O-N 3.17Å | ||
| 14 | R | 37.7 | Very low | 47.3 | Very low | 235 Ų | 235 | 161.9 Ų | 161.9 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -54 | 119.8 | 170.9 | -85.6 | -179.7 | 179.4 | 149 | -0.4 | 109.4 | K12 F16 | K12-R14 PolarHBondContact O-N 3.34Å; R14-F16 PolarHBondContact O-N 2.81Å | ||
| 15 | K | 40.5 | Very low | 48.5 | Very low | 201 Ų | 201 | 156.5 Ų | 156.5 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -75.9 | 115.4 | 170.6 | -61.9 | -171.5 | 177.9 | -175.3 | 0 | 108.1 | K13 | K13-K15 PolarHBondContact O-N 3.17Š| ||
| 16 | F | 43.7 | Very low | 49.7 | Very low | 189 Ų | 189 | 155.4 Ų | 155.4 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | trans | -86.5 | 113.2 | 162.3 | -96 | -89.1 | 0 | 0 | 0 | 106.9 | R14 L18 | R14-F16 PolarHBondContact O-N 2.81Å; F16-L18 PolarHBondContact O-N 2.77Å | ||
| 17 | E | 37.5 | Very low | 50.6 | Low | 182 Ų | 182 | 151.8 Ų | 151.8 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | trans | -73.3 | 105.6 | 170.1 | -69.2 | 178.9 | 174.2 | 0 | 0 | 108 | T19 | E17-T19 PolarHBondContact O-N 3.24Š| ||
| 18 | L | 46.6 | Very low | 51.8 | Low | 152 Ų | 152 | 145.7 Ų | 145.7 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | trans | -79.9 | 108.9 | 168.8 | -79.9 | 158.8 | 0 | 0 | 0 | 107.4 | F16 | F16-L18 PolarHBondContact O-N 2.77Š| ||
| 19 | T | 46.6 | Very low | 53.2 | Low | 123 Ų | 123 | 143.5 Ų | 143.5 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -62.5 | 132.5 | 168.3 | 44.8 | 0 | 0 | 0 | 0 | 109.4 | E17 E21 | E17-T19 PolarHBondContact O-N 3.24Å; T19-E21 PolarHBondContact O-N 3.48Å | ||
| 20 | N | 54.3 | Low | 54.4 | Low | 175 Ų | 175 | 138.5 Ų | 138.5 | 94% | 0.936 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 26.5 | -161.8 | -104.3 | -11.9 | 0 | 0 | 0 | 116.9 | ||
| 21 | E | 54.9 | Low | 55.7 | Low | 184 Ų | 184 | 132.1 Ų | 132.1 | 86% | 0.86 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | -3.8 | -175.2 | -67.8 | -171.9 | 171.3 | 0 | 0 | 115.2 | T19 N23 | T19-E21 PolarHBondContact O-N 3.48Å; E21-N23 PolarHBondContact O-N 3.42Å |
| 22 | F | 63.5 | Low | 56.9 | Low | 131 Ų | 131 | 131.4 Ų | 131.4 | 58% | 0.575 | 64% | 0.637 | S | S | * | * | trans | -84.1 | 95.6 | 177.8 | -169.4 | -94.5 | 0 | 0 | 0 | 111.5 | L24 | F22-L24 HydrophobicContact CE1-CD2 3.68Å; F22-L24 HydrophobicContact CE1-CG 3.96Å; F22-L24 HydrophobicContact CZ-CD2 4.03Å | ||
| 23 | N | 68.5 | Low | 58.4 | Low | 54 Ų | 54 | 127.6 Ų | 127.6 | 29% | 0.289 | 62% | 0.623 | S | S | . | * | trans | -110.9 | 120.4 | 175.6 | -166.5 | -17.6 | 0 | 0 | 0 | 111.1 | E21 N25 T26 S42 | E21-N23 PolarHBondContact O-N 3.42Å; N23-N25 VanDerWaalsContact C-N 3.26Å; N23-N25 PolarHBondContact O-N 2.73Å; N23-N25 PolarHBondContact OD1-N 3.4Å; N23-T26 WeakPolarHBondContact CB-OG1 3.41Å; N23-T26 PolarHBondContact O-N 3.41Å; N23-T26 PolarHBondContact O-OG1 3.15Å; N23-T26 VanDerWaalsContact O-OG1 3.05Å; N23-S42 PolarHBondContact ND2-O 2.67Å | ||
| 24 | L | 70.1 | Confident | 59.9 | Low | 36 Ų | 36 | 120 Ų | 120 | 19% | 0.188 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -66 | -29.1 | -178.2 | -74.2 | 165.6 | 0 | 0 | 0 | 112.4 | F22 T26 Q27 F28 V38 S49 A51 | F22-L24 HydrophobicContact CE1-CD2 3.68Å; F22-L24 HydrophobicContact CE1-CG 3.96Å; F22-L24 HydrophobicContact CZ-CD2 4.03Å; L24-T26 VanDerWaalsContact C-N 3.35Å; L24-T26 PolarHBondContact O-N 3.26Å; L24-Q27 PolarHBondContact O-N 2.94Å; L24-F28 HydrophobicContact CD2-CD2 4.06Å; L24-F28 HydrophobicContact CD2-CE2 3.82Å; L24-F28 WeakPolarHBondContact O-CD2 3.42Å; L24-F28 PolarHBondContact O-N 3.4Å; L24-V38 HydrophobicContact CB-CG1 3.9Å; L24-V38 HydrophobicContact CB-CG2 4.21Å; L24-S49 WeakPolarHBondContact CD1-O 3.3Å; L24-A51 HydrophobicContact CD2-CB 4.39Å |
| 25 | N | 69.7 | Low | 62 | Low | 41 Ų | 41 | 112.9 Ų | 112.9 | 22% | 0.219 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -71.1 | -27.8 | -178.5 | -77.4 | -15.1 | 0 | 0 | 0 | 113 | N23 A29 V38 G40 S42 S49 | N23-N25 VanDerWaalsContact C-N 3.26Å; N23-N25 PolarHBondContact O-N 2.73Å; N23-N25 PolarHBondContact OD1-N 3.4Å; N25-A29 WeakPolarHBondContact O-CA 3.19Å; N25-A29 WeakPolarHBondContact O-CB 3.49Å; N25-A29 PolarHBondContact O-N 3.17Å; N25-V38 VanDerWaalsContact OD1-CB 3.29Å; N25-V38 WeakPolarHBondContact OD1-CB 3.34Å; N25-V38 WeakPolarHBondContact OD1-CG1 3.46Å; N25-G40 PolarHBondContact ND2-O 3.05Å; N25-S42 WeakPolarHBondContact ND2-CA 3.46Å; N25-S42 PolarHBondContact ND2-N 3.04Å; N25-S42 VanDerWaalsContact ND2-N 3.17Å; N25-S49 PolarHBondContact ND2-OG 3.18Å |
| 26 | T | 71.7 | Confident | 64 | Low | 110 Ų | 110 | 107.1 Ų | 107.1 | 68% | 0.675 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -78 | -31.6 | 174 | 15.3 | 0 | 0 | 0 | 0 | 112.7 | N23 L24 | N23-T26 WeakPolarHBondContact CB-OG1 3.41Å; N23-T26 PolarHBondContact O-N 3.41Å; N23-T26 PolarHBondContact O-OG1 3.15Å; N23-T26 VanDerWaalsContact O-OG1 3.05Å; L24-T26 VanDerWaalsContact C-N 3.35Å; L24-T26 PolarHBondContact O-N 3.26Å |
| 27 | Q | 68.9 | Low | 65.8 | Low | 104 Ų | 104 | 102 Ų | 102 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -80.4 | -30 | 179.7 | -68.7 | -172.7 | 2.1 | 0 | 0 | 113.4 | L24 | L24-Q27 PolarHBondContact O-N 2.94Å |
| 28 | F | 71.8 | Confident | 68 | Low | 55 Ų | 55 | 94.7 Ų | 94.7 | 24% | 0.241 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -125.3 | 44.3 | -175.1 | -57.7 | -70.9 | 0 | 0 | 0 | 111.6 | L24 N30 D34 Y36 V38 | L24-F28 HydrophobicContact CD2-CD2 4.06Å; L24-F28 HydrophobicContact CD2-CE2 3.82Å; L24-F28 WeakPolarHBondContact O-CD2 3.42Å; L24-F28 PolarHBondContact O-N 3.4Å; F28-N30 VanDerWaalsContact C-N 3.3Å; F28-N30 PolarHBondContact O-N 3.42Å; F28-D34 WeakPolarHBondContact CA-OD2 2.97Å; F28-D34 HydrophobicContact CD1-CB 4.22Å; F28-Y36 HydrophobicContact CD1-CD2 4.31Å; F28-Y36 AromaticContact CE1-CD2 3.85Å; F28-Y36 HydrophobicContact CE1-CD2 3.85Å; F28-Y36 HydrophobicContact CZ-CD2 4.36Å; F28-V38 HydrophobicContact CB-CG2 3.55Å; F28-V38 HydrophobicContact CD2-CG2 4.05Å; F28-V38 HydrophobicContact CG-CG2 4.18Å |
| 29 | A | 67.5 | Low | 69.6 | Low | 74 Ų | 74 | 92.8 Ų | 92.8 | 61% | 0.612 | 48% | 0.479 | S | S | * | . | trans | -71.9 | -22.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N25 P31 D34 | N25-A29 WeakPolarHBondContact O-CA 3.19Å; N25-A29 WeakPolarHBondContact O-CB 3.49Å; N25-A29 PolarHBondContact O-N 3.17Å; A29-P31 WeakPolarHBondContact O-CD 3.49Å; A29-D34 PolarHBondContact N-OD2 3.23Å | ||
| 30 | N | 67.1 | Low | 71.2 | Confident | 58 Ų | 58 | 88.6 Ų | 88.6 | 31% | 0.31 | 46% | 0.46 | S | S | . | . | trans | -106.8 | 97 | -169.9 | -164.8 | -8.8 | 0 | 0 | 0 | 111.9 | F28 K32 E33 D34 | F28-N30 VanDerWaalsContact C-N 3.3Å; F28-N30 PolarHBondContact O-N 3.42Å; N30-K32 PolarHBondContact O-N 3.42Å; N30-K32 PolarHBondContact OD1-N 2.94Å; N30-E33 HydrophobicContact CB-CB 4.22Å; N30-E33 PolarHBondContact ND2-OE2 3.47Å; N30-E33 PolarHBondContact O-N 3.06Å; N30-D34 PolarHBondContact N-OD2 3.32Å; N30-D34 WeakPolarHBondContact O-CB 3.35Å; N30-D34 PolarHBondContact O-N 3.21Å | ||
| 31 | P | 64 | Low | 72.2 | Confident | 69 Ų | 69 | 82.5 Ų | 82.5 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23.6 | -178.3 | 19.5 | -31.7 | 0 | 0 | 0 | 114.2 | A29 F37 | A29-P31 WeakPolarHBondContact O-CD 3.49Å; P31-F37 HydrophobicContact CB-CD1 3.74Å; P31-F37 HydrophobicContact CB-CE1 3.39Å |
| 32 | K | 66 | Low | 72.8 | Confident | 176 Ų | 176 | 76.3 Ų | 76.3 | 77% | 0.765 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -23.3 | -179.1 | -69 | -175.9 | -179 | 176.7 | 0 | 113.4 | N30 K57 | N30-K32 PolarHBondContact O-N 3.42Å; N30-K32 PolarHBondContact OD1-N 2.94Å; K32-K57 WeakPolarHBondContact O-CE 3.15Å; K32-K57 PolarHBondContact O-NZ 3.37Å |
| 33 | E | 70.6 | Confident | 73.1 | Confident | 137 Ų | 137 | 75.2 Ų | 75.2 | 64% | 0.64 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -34.7 | -177.8 | -73.6 | 176.8 | -176.8 | 0 | 0 | 111.4 | N30 K57 | N30-E33 HydrophobicContact CB-CB 4.22Å; N30-E33 PolarHBondContact ND2-OE2 3.47Å; N30-E33 PolarHBondContact O-N 3.06Å; E33-K57 VanDerWaalsContact CA-NZ 3.25Å; E33-K57 PolarHBondContact O-NZ 3.37Å |
| 34 | D | 77.7 | Confident | 73 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 19% | 0.187 | 42% | 0.416 | C | S | . | . | trans | -82.3 | 142.1 | -171.1 | -61.4 | -35.5 | 0 | 0 | 0 | 113.1 | F28 A29 N30 Y36 N54 | F28-D34 WeakPolarHBondContact CA-OD2 2.97Å; F28-D34 HydrophobicContact CD1-CB 4.22Å; A29-D34 PolarHBondContact N-OD2 3.23Å; N30-D34 PolarHBondContact N-OD2 3.32Å; N30-D34 WeakPolarHBondContact O-CB 3.35Å; N30-D34 PolarHBondContact O-N 3.21Å; D34-Y36 PolarHBondContact O-N 3.47Å; D34-N54 PolarHBondContact O-ND2 3.24Å | ||
| 35 | D | 81.7 | Confident | 73 | Confident | 84 Ų | 84 | 81 Ų | 81 | 45% | 0.449 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -74.5 | -2.5 | 175.1 | -80.5 | -11.7 | 0 | 0 | 0 | 112.4 | N54 | D35-N54 WeakPolarHBondContact O-CB 2.85Å; D35-N54 PolarHBondContact O-N 3.29Å |
| 36 | Y | 82.4 | Confident | 73.1 | Confident | 80 Ų | 80 | 88.3 Ų | 88.3 | 31% | 0.314 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 146.6 | -179.1 | -57.8 | -90.5 | 0 | 0 | 0 | 109.9 | F28 D34 Y52 R53 | F28-Y36 HydrophobicContact CD1-CD2 4.31Å; F28-Y36 AromaticContact CE1-CD2 3.85Å; F28-Y36 HydrophobicContact CE1-CD2 3.85Å; F28-Y36 HydrophobicContact CZ-CD2 4.36Å; D34-Y36 PolarHBondContact O-N 3.47Å; Y36-Y52 CarbonylContact C-O 3.46Å; Y36-Y52 WeakPolarHBondContact CA-O 3.29Å; Y36-R53 HydrophobicContact CD1-CB 3.94Å; Y36-R53 HydrophobicContact CD1-CG 4.09Å; Y36-R53 HydrophobicContact CE1-CB 3.87Å; Y36-R53 HydrophobicContact CE1-CG 3.74Å |
| 37 | F | 81.8 | Confident | 73.2 | Confident | 83 Ų | 83 | 86 Ų | 86 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.9 | 165.8 | -63.9 | -74.9 | 0 | 0 | 0 | 108.5 | P31 A51 Y52 N54 | P31-F37 HydrophobicContact CB-CD1 3.74Å; P31-F37 HydrophobicContact CB-CE1 3.39Å; F37-A51 CarbonylContact O-C 3.43Å; F37-Y52 PolarHBondContact N-O 3.45Å; F37-Y52 PolarHBondContact O-N 3Å; F37-N54 HydrophobicContact CD2-CB 3.6Å; F37-N54 HydrophobicContact CE2-CB 3.44Å; F37-N54 VanDerWaalsContact CE2-CB 3.44Å; F37-N54 WeakPolarHBondContact CE2-ND2 3.18Å; F37-N54 WeakPolarHBondContact CE2-OD1 3.49Å; F37-N54 HydrophobicContact CG-CB 4.47Å; F37-N54 HydrophobicContact CZ-CB 4.16Å; F37-N54 WeakPolarHBondContact CZ-ND2 2.92Å |
| 38 | V | 82.4 | Confident | 73.6 | Confident | 28 Ų | 28 | 87.5 Ų | 87.5 | 17% | 0.17 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.2 | 178.3 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | L24 N25 F28 I50 A51 | L24-V38 HydrophobicContact CB-CG1 3.9Å; L24-V38 HydrophobicContact CB-CG2 4.21Å; N25-V38 VanDerWaalsContact OD1-CB 3.29Å; N25-V38 WeakPolarHBondContact OD1-CB 3.34Å; N25-V38 WeakPolarHBondContact OD1-CG1 3.46Å; F28-V38 HydrophobicContact CB-CG2 3.55Å; F28-V38 HydrophobicContact CD2-CG2 4.05Å; F28-V38 HydrophobicContact CG-CG2 4.18Å; V38-I50 WeakPolarHBondContact CA-O 3.38Å; V38-A51 HydrophobicContact CG2-CB 3.94Å |
| 39 | I | 80.9 | Confident | 74.1 | Confident | 112 Ų | 112 | 85.6 Ų | 85.6 | 57% | 0.574 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.5 | 176.3 | -58.3 | 177.6 | 0 | 0 | 0 | 107.3 | I50 Y52 | I39-I50 PolarHBondContact N-O 2.87Å; I39-I50 PolarHBondContact O-N 3.28Å; I39-Y52 HydrophobicContact CB-CD2 4.39Å; I39-Y52 HydrophobicContact CB-CE2 4.33Å; I39-Y52 HydrophobicContact CD1-CD2 3.8Å; I39-Y52 HydrophobicContact CD1-CE2 4.01Å; I39-Y52 HydrophobicContact CG1-CD2 4.13Å; I39-Y52 HydrophobicContact CG1-CE2 4.45Å |
| 40 | G | 79.6 | Confident | 74.9 | Confident | 35 Ų | 35 | 86.2 Ų | 86.2 | 36% | 0.361 | 46% | 0.457 | S | S | . | . | S | Bend | trans | 136.5 | 165.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N25 S49 | N25-G40 PolarHBondContact ND2-O 3.05Å; G40-S49 PolarHBondContact O-OG 2.87Å |
| 41 | P | 75.1 | Confident | 75.7 | Confident | 46 Ų | 46 | 85.2 Ų | 85.2 | 30% | 0.299 | 46% | 0.456 | S | S | . | . | trans | -67 | 137.6 | -177.9 | 27.3 | -32.6 | 0 | 0 | 0 | 111 | D43 S47 S49 | P41-D43 PolarHBondContact O-N 2.98Å; P41-S47 WeakPolarHBondContact CD-OG 3.12Å; P41-S47 WeakPolarHBondContact CG-OG 3.42Å; P41-S49 PolarHBondContact O-OG 2.9Å | ||
| 42 | S | 68.8 | Low | 76.6 | Confident | 54 Ų | 54 | 88.1 Ų | 88.1 | 38% | 0.378 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30.5 | 171 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | N23 N25 G44 | N23-S42 PolarHBondContact ND2-O 2.67Å; N25-S42 WeakPolarHBondContact ND2-CA 3.46Å; N25-S42 PolarHBondContact ND2-N 3.04Å; N25-S42 VanDerWaalsContact ND2-N 3.17Å; S42-G44 VanDerWaalsContact C-N 3.25Å; S42-G44 PolarHBondContact O-N 2.92Å |
| 43 | D | 67.9 | Low | 77.3 | Confident | 108 Ų | 108 | 85.6 Ų | 85.6 | 58% | 0.578 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -2.5 | -163.7 | -67.2 | 9.1 | 0 | 0 | 0 | 113.2 | P41 K45 | P41-D43 PolarHBondContact O-N 2.98Å; D43-K45 HydrophobicContact CB-CD 4.47Å; D43-K45 WeakPolarHBondContact O-CG 3.33Å; D43-K45 PolarHBondContact O-N 2.75Å |
| 44 | G | 66.8 | Low | 77.7 | Confident | 46 Ų | 46 | 79.4 Ų | 79.4 | 47% | 0.474 | 42% | 0.416 | S | S | . | . | trans | 61 | -5.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S42 | S42-G44 VanDerWaalsContact C-N 3.25Å; S42-G44 PolarHBondContact O-N 2.92Å | ||
| 45 | K | 71.3 | Confident | 77.4 | Confident | 167 Ų | 167 | 85.7 Ų | 85.7 | 73% | 0.726 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -72.9 | -37.7 | -172.6 | -71.8 | 172.6 | -172.3 | 177.8 | 0 | 113.8 | D43 | D43-K45 HydrophobicContact CB-CD 4.47Å; D43-K45 WeakPolarHBondContact O-CG 3.33Å; D43-K45 PolarHBondContact O-N 2.75Å |
| 46 | F | 71 | Confident | 76.7 | Confident | 194 Ų | 194 | 88.9 Ų | 88.9 | 85% | 0.851 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -103.7 | -31.1 | -173.1 | -64.8 | -73.5 | 0 | 0 | 0 | 113 | ||
| 47 | S | 73 | Confident | 76 | Confident | 61 Ų | 61 | 87.5 Ų | 87.5 | 43% | 0.427 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -166.2 | 157.4 | 176.7 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | P41 | P41-S47 WeakPolarHBondContact CD-OG 3.12Å; P41-S47 WeakPolarHBondContact CG-OG 3.42Å |
| 48 | N | 79.2 | Confident | 74.8 | Confident | 136 Ų | 136 | 90 Ų | 90 | 73% | 0.727 | 46% | 0.459 | S | S | * | . | trans | -70.9 | 136.2 | 173 | -66.5 | -20.8 | 0 | 0 | 0 | 109.7 | ||||
| 49 | S | 82.4 | Confident | 73.5 | Confident | 15 Ų | 15 | 95 Ų | 95 | 11% | 0.105 | 48% | 0.484 | C | S | . | . | trans | -62.4 | 142.6 | 166.8 | -80.3 | 0 | 0 | 0 | 0 | 110.6 | L24 N25 G40 P41 | L24-S49 WeakPolarHBondContact CD1-O 3.3Å; N25-S49 PolarHBondContact ND2-OG 3.18Å; G40-S49 PolarHBondContact O-OG 2.87Å; P41-S49 PolarHBondContact O-OG 2.9Å | ||
| 50 | I | 83.5 | Confident | 72.2 | Confident | 87 Ų | 87 | 93.5 Ų | 93.5 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 122.7 | -178.7 | -58.4 | 174.1 | 0 | 0 | 0 | 109.1 | V38 I39 Y52 | V38-I50 WeakPolarHBondContact CA-O 3.38Å; I39-I50 PolarHBondContact N-O 2.87Å; I39-I50 PolarHBondContact O-N 3.28Å; I50-Y52 HydrophobicContact CB-CE2 4.13Å; I50-Y52 HydrophobicContact CG2-CD2 4.22Å; I50-Y52 HydrophobicContact CG2-CE2 3.66Å |
| 51 | A | 83.8 | Confident | 70.8 | Confident | 36 Ų | 36 | 101 Ų | 101 | 30% | 0.298 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | L24 F37 V38 | L24-A51 HydrophobicContact CD2-CB 4.39Å; F37-A51 CarbonylContact O-C 3.43Å; V38-A51 HydrophobicContact CG2-CB 3.94Å |
| 52 | Y | 81.8 | Confident | 69.3 | Low | 131 Ų | 131 | 103.3 Ų | 103.3 | 51% | 0.514 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 140.3 | 173.3 | -70 | -84.2 | 0 | 0 | 0 | 110.9 | Y36 F37 I39 I50 N54 | Y36-Y52 CarbonylContact C-O 3.46Å; Y36-Y52 WeakPolarHBondContact CA-O 3.29Å; F37-Y52 PolarHBondContact N-O 3.45Å; F37-Y52 PolarHBondContact O-N 3Å; I39-Y52 HydrophobicContact CB-CD2 4.39Å; I39-Y52 HydrophobicContact CB-CE2 4.33Å; I39-Y52 HydrophobicContact CD1-CD2 3.8Å; I39-Y52 HydrophobicContact CD1-CE2 4.01Å; I39-Y52 HydrophobicContact CG1-CD2 4.13Å; I39-Y52 HydrophobicContact CG1-CE2 4.45Å; I50-Y52 HydrophobicContact CB-CE2 4.13Å; I50-Y52 HydrophobicContact CG2-CD2 4.22Å; I50-Y52 HydrophobicContact CG2-CE2 3.66Å; Y52-N54 PolarHBondContact O-N 3.48Å |
| 53 | R | 80.7 | Confident | 67.9 | Low | 123 Ų | 123 | 106.6 Ų | 106.6 | 46% | 0.464 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 125.4 | -179.3 | -159.8 | 175.5 | -166.4 | 161.1 | 12.8 | 111.8 | Y36 K55 | Y36-R53 HydrophobicContact CD1-CB 3.94Å; Y36-R53 HydrophobicContact CD1-CG 4.09Å; Y36-R53 HydrophobicContact CE1-CB 3.87Å; Y36-R53 HydrophobicContact CE1-CG 3.74Å; R53-K55 PolarHBondContact O-N 2.72Å; R53-K55 VanDerWaalsContact O-N 3.13Å |
| 54 | N | 79 | Confident | 66.5 | Low | 7 Ų | 7 | 106 Ų | 106 | 4% | 0.037 | 55% | 0.545 | C | S | . | . | trans | -69.1 | 102.9 | 178.9 | -176.3 | -10.1 | 0 | 0 | 0 | 110.9 | D34 D35 F37 Y52 M56 | D34-N54 PolarHBondContact O-ND2 3.24Å; D35-N54 WeakPolarHBondContact O-CB 2.85Å; D35-N54 PolarHBondContact O-N 3.29Å; F37-N54 HydrophobicContact CD2-CB 3.6Å; F37-N54 HydrophobicContact CE2-CB 3.44Å; F37-N54 VanDerWaalsContact CE2-CB 3.44Å; F37-N54 WeakPolarHBondContact CE2-ND2 3.18Å; F37-N54 WeakPolarHBondContact CE2-OD1 3.49Å; F37-N54 HydrophobicContact CG-CB 4.47Å; F37-N54 HydrophobicContact CZ-CB 4.16Å; F37-N54 WeakPolarHBondContact CZ-ND2 2.92Å; Y52-N54 PolarHBondContact O-N 3.48Å; N54-M56 WeakPolarHBondContact OD1-CB 3.07Å; N54-M56 PolarHBondContact OD1-N 2.75Å; N54-M56 VanDerWaalsContact OD1-N 3.09Å | ||
| 55 | K | 73.2 | Confident | 65.2 | Low | 167 Ų | 167 | 109.7 Ų | 109.7 | 73% | 0.726 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.7 | -23.7 | -179.3 | -63.5 | -176.1 | -177.2 | 177.5 | 0 | 113.2 | R53 K57 R58 | R53-K55 PolarHBondContact O-N 2.72Å; R53-K55 VanDerWaalsContact O-N 3.13Å; K55-K57 VanDerWaalsContact C-N 3.3Å; K55-K57 PolarHBondContact O-N 3.34Å; K55-R58 PolarHBondContact O-N 3.07Å |
| 56 | M | 65.8 | Low | 63.4 | Low | 150 Ų | 150 | 110.9 Ų | 110.9 | 74% | 0.739 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.4 | -33.5 | -176.1 | -64.2 | -126.9 | 76 | 0 | 0 | 112.1 | N54 | N54-M56 WeakPolarHBondContact OD1-CB 3.07Å; N54-M56 PolarHBondContact OD1-N 2.75Å; N54-M56 VanDerWaalsContact OD1-N 3.09Å |
| 57 | K | 67 | Low | 61.7 | Low | 51 Ų | 51 | 110.9 Ų | 110.9 | 22% | 0.222 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -72.2 | -28.8 | 175.9 | -76.6 | -159 | 173.1 | -167.6 | 0 | 114.7 | K32 E33 K55 A60 R61 | K32-K57 WeakPolarHBondContact O-CE 3.15Å; K32-K57 PolarHBondContact O-NZ 3.37Å; E33-K57 VanDerWaalsContact CA-NZ 3.25Å; E33-K57 PolarHBondContact O-NZ 3.37Å; K55-K57 VanDerWaalsContact C-N 3.3Å; K55-K57 PolarHBondContact O-N 3.34Å; K57-A60 PolarHBondContact O-N 3.03Å; K57-R61 PolarHBondContact O-N 3.43Å |
| 58 | R | 57.8 | Low | 59.9 | Low | 137 Ų | 137 | 117.6 Ų | 117.6 | 52% | 0.517 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.5 | -35.3 | -179 | -83.5 | -172.8 | 157.8 | -170.9 | -14.1 | 112.5 | K55 A60 R61 S62 | K55-R58 PolarHBondContact O-N 3.07Å; R58-A60 PolarHBondContact O-N 3.44Å; R58-R61 PolarHBondContact O-N 3.2Å; R58-S62 PolarHBondContact O-N 3.23Å; R58-S62 PolarHBondContact O-OG 2.95Å |
| 59 | N | 55.8 | Low | 57.7 | Low | 131 Ų | 131 | 119.7 Ų | 119.7 | 70% | 0.701 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63 | -23.4 | 176.1 | -66.3 | -5.8 | 0 | 0 | 0 | 112.1 | ||
| 60 | A | 52.6 | Low | 55.2 | Low | 81 Ų | 81 | 126.8 Ų | 126.8 | 67% | 0.669 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -90.2 | -18.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K57 R58 | K57-A60 PolarHBondContact O-N 3.03Å; R58-A60 PolarHBondContact O-N 3.44Å |
| 61 | R | 50.3 | Low | 52.6 | Low | 193 Ų | 193 | 130.3 Ų | 130.3 | 73% | 0.728 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -111 | 1.3 | -174.9 | -72.7 | -172.7 | 175.3 | -134.5 | -0.6 | 115 | K57 R58 V63 | K57-R61 PolarHBondContact O-N 3.43Å; R58-R61 PolarHBondContact O-N 3.2Å; R61-V63 PolarHBondContact O-N 2.9Å |
| 62 | S | 42.9 | Very low | 50.2 | Low | 95 Ų | 95 | 135.3 Ų | 135.3 | 66% | 0.664 | 66% | 0.664 | S | S | * | * | trans | -77.4 | 61 | 165.3 | 57.3 | 0 | 0 | 0 | 0 | 111 | R58 | R58-S62 PolarHBondContact O-N 3.23Å; R58-S62 PolarHBondContact O-OG 2.95Å | ||
| 63 | V | 40.1 | Very low | 47.5 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 75% | 0.745 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -141.2 | 123.5 | 160.8 | -170.4 | 0 | 0 | 0 | 0 | 108 | R61 | R61-V63 PolarHBondContact O-N 2.9Š|
| 64 | S | 37.5 | Very low | 45 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | trans | 74.7 | 123.2 | 167.7 | 153.5 | 0 | 0 | 0 | 0 | 117.4 | K66 | S64-K66 PolarHBondContact O-N 2.82Å; S64-K66 VanDerWaalsContact O-N 3.14Å | ||
| 65 | P | 39.7 | Very low | 42.4 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | trans | -64.8 | 115.2 | 170.2 | -1.9 | 16 | 0 | 0 | 0 | 108.1 | K67 | P65-K67 VanDerWaalsContact C-N 3.34Å; P65-K67 PolarHBondContact O-N 3.32Å | ||
| 66 | K | 34.8 | Very low | 40.5 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | trans | -58.3 | 105.3 | 161.3 | -77.5 | -165.3 | 172.5 | -169.7 | 0 | 107.2 | S64 K68 | S64-K66 PolarHBondContact O-N 2.82Å; S64-K66 VanDerWaalsContact O-N 3.14Å; K66-K68 PolarHBondContact O-N 2.77Å | ||
| 67 | K | 35.3 | Very low | 38.6 | Very low | 195 Ų | 195 | 139.1 Ų | 139.1 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | -40.3 | 123.8 | 156.1 | -96 | -179.3 | 172 | -179.6 | 0 | 106.5 | P65 Q69 | P65-K67 VanDerWaalsContact C-N 3.34Å; P65-K67 PolarHBondContact O-N 3.32Å; K67-Q69 VanDerWaalsContact C-N 3.33Å; K67-Q69 PolarHBondContact O-N 3.09Å | ||
| 68 | K | 33.7 | Very low | 36.9 | Very low | 202 Ų | 202 | 145.2 Ų | 145.2 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | trans | -53.4 | 105.3 | 164.3 | -69.9 | -174.8 | 175.1 | -176.1 | 0 | 106 | K66 E70 | K66-K68 PolarHBondContact O-N 2.77Å; K68-E70 PolarHBondContact O-N 3.39Å; K68-E70 VanDerWaalsContact O-N 3.15Å | ||
| 69 | Q | 32.9 | Very low | 35.4 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -63.6 | 112.2 | 157.9 | -97.4 | 178.1 | -43.5 | 0 | 0 | 104.8 | K67 N71 | K67-Q69 VanDerWaalsContact C-N 3.33Å; K67-Q69 PolarHBondContact O-N 3.09Å; Q69-N71 PolarHBondContact O-N 3.04Å | ||
| 70 | E | 31.7 | Very low | 34.1 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -52.8 | 108.1 | 162.4 | -75.2 | 173 | 139.2 | 0 | 0 | 107.4 | K68 I72 | K68-E70 PolarHBondContact O-N 3.39Å; K68-E70 VanDerWaalsContact O-N 3.15Å; E70-I72 HydrophobicContact CB-CG1 4.36Å; E70-I72 PolarHBondContact O-N 2.93Å | ||
| 71 | N | 29.2 | Very low | 32.9 | Very low | 161 Ų | 161 | 147.8 Ų | 147.8 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -72.2 | 76.5 | 158 | -82.6 | -16.9 | 0 | 0 | 0 | 107 | Q69 | Q69-N71 PolarHBondContact O-N 3.04Š| ||
| 72 | I | 32 | Very low | 32.1 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | trans | -73.2 | 118.7 | 149.9 | -67.1 | 167.4 | 0 | 0 | 0 | 104.2 | E70 | E70-I72 HydrophobicContact CB-CG1 4.36Å; E70-I72 PolarHBondContact O-N 2.93Å | ||
| 73 | G | 24.6 | Very low | 31.4 | Very low | 51 Ų | 51 | 147.5 Ų | 147.5 | 53% | 0.526 | 80% | 0.8 | S | S | . | * | trans | -57.2 | 163.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 74 | N | 29 | Very low | 31.3 | Very low | 170 Ų | 170 | 149 Ų | 149 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | -157.5 | 114.7 | 128.6 | -85.1 | -27.8 | 0 | 0 | 0 | 107.3 | L76 | N74-L76 PolarHBondContact O-N 2.98Š| |||
| 75 | G | 24.8 | Very low | 30.8 | Very low | 74 Ų | 74 | 151 Ų | 151 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | -71.3 | 119.4 | 157 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 76 | L | 33.1 | Very low | 30.7 | Very low | 174 Ų | 174 | 156.2 Ų | 156.2 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | trans | -170.1 | 143.9 | 140.3 | -104.3 | 138.7 | 0 | 0 | 0 | 109.9 | N74 | N74-L76 PolarHBondContact O-N 2.98Š| ||
| 77 | K | 26 | Very low | 30.7 | Very low | 189 Ų | 189 | 155 Ų | 155 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -66.5 | 168.6 | -168.9 | -64.2 | 164.7 | 171.6 | 176 | 0 | 113.1 | ||||
| 78 | Q | 31.3 | Very low | 30.5 | Very low | 179 Ų | 179 | 152.4 Ų | 152.4 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | 110.1 | 103.3 | 161.8 | -63.6 | 174.5 | -11 | 0 | 0 | 112.7 | ||||
| 79 | Q | 25.9 | Very low | 30.5 | Very low | 180 Ų | 180 | 154.5 Ų | 154.5 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | 76.9 | 140.8 | 78.7 | -87.1 | -171 | -21.7 | 0 | 0 | 114.7 | |||||
| 80 | S | 29.7 | Very low | 30.3 | Very low | 108 Ų | 108 | 155.5 Ų | 155.5 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | 77.9 | 107.6 | 173.5 | 73.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 81 | S | 27.3 | Very low | 30.4 | Very low | 115 Ų | 115 | 153 Ų | 153 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | 67.7 | 109.9 | 69.8 | 76.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 82 | A | 32 | Very low | 30.7 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 168.7 | 131.6 | 127.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 83 | Q | 29.3 | Very low | 31.1 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -58.5 | 143.7 | 165.2 | -60.3 | 155.2 | -60.6 | 0 | 0 | 111.2 | ||||
| 84 | I | 37.2 | Very low | 31.7 | Very low | 155 Ų | 155 | 154.1 Ų | 154.1 | 80% | 0.795 | 81% | 0.814 | S | S | * | * | trans | -137.5 | 108.2 | 139.1 | -61.2 | -175.9 | 0 | 0 | 0 | 109.4 | R86 | I84-R86 HydrophobicContact CG2-CG 4.27Š| ||
| 85 | N | 28.3 | Very low | 31.9 | Very low | 137 Ų | 137 | 154.2 Ų | 154.2 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -76 | 125.3 | 164.3 | -164.5 | -5.3 | 0 | 0 | 0 | 108 | ||||
| 86 | R | 37.7 | Very low | 32.6 | Very low | 233 Ų | 233 | 159.3 Ų | 159.3 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -138.6 | 125.2 | 162.9 | -90.7 | -168.2 | 172.2 | 175.4 | -1.6 | 111.6 | I84 | I84-R86 HydrophobicContact CG2-CG 4.27Š| ||
| 87 | Q | 34.6 | Very low | 32.9 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | -77 | 137 | -172 | -63.9 | 165.5 | -12.3 | 0 | 0 | 112.5 | ||||
| 88 | I | 30 | Very low | 33.4 | Very low | 141 Ų | 141 | 156.8 Ų | 156.8 | 72% | 0.723 | 80% | 0.803 | S | S | * | * | 34.6 | 103 | 126.8 | -46.4 | 170.3 | 0 | 0 | 0 | 116.6 | K90 | I88-K90 HydrophobicContact CG2-CG 4.2Š| |||
| 89 | R | 33 | Very low | 33.7 | Very low | 246 Ų | 246 | 158.6 Ų | 158.6 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | trans | -128.3 | 117.3 | 140.4 | -75.8 | -169.9 | 176.3 | -169.5 | -1 | 108.9 | S91 | R89-S91 PolarHBondContact O-N 2.96Š| ||
| 90 | K | 29.4 | Very low | 34.6 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -75.9 | 113.7 | 175.7 | -64 | 172.7 | 179.6 | 177.1 | 0 | 107.9 | I88 | I88-K90 HydrophobicContact CG2-CG 4.2Š| ||
| 91 | S | 34.6 | Very low | 35.4 | Very low | 112 Ų | 112 | 158.7 Ų | 158.7 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -108 | 126.4 | 165.8 | 57.4 | 0 | 0 | 0 | 0 | 109.3 | R89 | R89-S91 PolarHBondContact O-N 2.96Š| ||
| 92 | S | 35.7 | Very low | 36.6 | Very low | 105 Ų | 105 | 156 Ų | 156 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -56 | 152.1 | 177.9 | -37 | 0 | 0 | 0 | 0 | 112.5 | I94 | S92-I94 PolarHBondContact O-N 3.46Š| ||
| 93 | P | 38.9 | Very low | 37.4 | Very low | 122 Ų | 122 | 157.6 Ų | 157.6 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -79.3 | 108.7 | -165.3 | 31.5 | -31.5 | 0 | 0 | 0 | 110.6 | L95 | P93-L95 PolarHBondContact O-N 2.95Š| ||
| 94 | I | 37.9 | Very low | 38.6 | Very low | 150 Ų | 150 | 158.1 Ų | 158.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -73.9 | 107.2 | 161.8 | -66.7 | 171.5 | 0 | 0 | 0 | 106.6 | S92 K96 | S92-I94 PolarHBondContact O-N 3.46Å; I94-K96 PolarHBondContact O-N 3.05Å | ||
| 95 | L | 33.7 | Very low | 39.5 | Very low | 172 Ų | 172 | 155.6 Ų | 155.6 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | trans | -49.5 | 96.7 | 168.8 | -72.8 | 153.2 | 0 | 0 | 0 | 109.6 | P93 | P93-L95 PolarHBondContact O-N 2.95Š| ||
| 96 | K | 38.8 | Very low | 41.4 | Very low | 181 Ų | 181 | 152.6 Ų | 152.6 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | trans | -90.3 | 141.5 | 165.2 | -76.4 | -177.8 | 179.3 | 179.1 | 0 | 108.4 | I94 Y98 | I94-K96 PolarHBondContact O-N 3.05Å; K96-Y98 PolarHBondContact O-N 3.34Å | ||
| 97 | P | 40.2 | Very low | 43.5 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | trans | -68 | 135.9 | -162.8 | 28.3 | -33.4 | 0 | 0 | 0 | 110.3 | R99 | P97-R99 PolarHBondContact O-N 3.15Š| ||
| 98 | Y | 35.8 | Very low | 45.9 | Very low | 201 Ų | 201 | 140.3 Ų | 140.3 | 79% | 0.788 | 73% | 0.733 | S | S | * | * | trans | -40.4 | 105.5 | 169.2 | -172.7 | -105.3 | 0 | 0 | 0 | 110.2 | K96 D100 | K96-Y98 PolarHBondContact O-N 3.34Å; Y98-D100 WeakPolarHBondContact CE1-OD1 3.08Å | ||
| 99 | R | 38.1 | Very low | 48.5 | Very low | 216 Ų | 216 | 138.6 Ų | 138.6 | 82% | 0.815 | 72% | 0.722 | S | S | * | * | trans | -92.7 | 111.2 | 167.7 | -83 | -73.5 | -149.9 | -120.3 | 2.3 | 105.3 | P97 E101 | P97-R99 PolarHBondContact O-N 3.15Å; R99-E101 PolarHBondContact O-N 3.36Å | ||
| 100 | D | 44.6 | Very low | 51.3 | Low | 101 Ų | 101 | 132.6 Ų | 132.6 | 54% | 0.54 | 70% | 0.703 | S | S | . | * | trans | -52.4 | 112.8 | 170.9 | -74 | -53.8 | 0 | 0 | 0 | 109.6 | Y98 A102 | Y98-D100 WeakPolarHBondContact CE1-OD1 3.08Å; D100-A102 PolarHBondContact O-N 3.15Å | ||
| 101 | E | 47.2 | Very low | 54.2 | Low | 190 Ų | 190 | 125.7 Ų | 125.7 | 89% | 0.888 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -72.7 | 15.4 | 176.4 | -64.1 | -172.3 | 158.6 | 0 | 0 | 112.7 | R99 I103 | R99-E101 PolarHBondContact O-N 3.36Å; E101-I103 PolarHBondContact O-N 3.14Å |
| 102 | A | 50.8 | Low | 57.1 | Low | 59 Ų | 59 | 125.3 Ų | 125.3 | 49% | 0.488 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -72.8 | -7.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D100 Q104 T105 | D100-A102 PolarHBondContact O-N 3.15Å; A102-Q104 VanDerWaalsContact C-N 3.28Å; A102-Q104 PolarHBondContact O-N 3.1Å; A102-T105 PolarHBondContact O-OG1 3.04Å |
| 103 | I | 49.9 | Very low | 59.9 | Low | 131 Ų | 131 | 123.9 Ų | 123.9 | 67% | 0.672 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -74.2 | -14.1 | -171.7 | -56.8 | 174.3 | 0 | 0 | 0 | 112.9 | E101 T105 D106 | E101-I103 PolarHBondContact O-N 3.14Å; I103-T105 PolarHBondContact O-N 2.83Å; I103-D106 WeakPolarHBondContact CA-OD2 3.24Å |
| 104 | Q | 53.2 | Low | 62.5 | Low | 195 Ų | 195 | 122.9 Ų | 122.9 | 91% | 0.911 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -77.6 | -16.7 | 179.1 | -83.8 | -172.8 | -0.4 | 0 | 0 | 114.9 | A102 | A102-Q104 VanDerWaalsContact C-N 3.28Å; A102-Q104 PolarHBondContact O-N 3.1Å |
| 105 | T | 57.7 | Low | 65.2 | Low | 102 Ų | 102 | 119.6 Ų | 119.6 | 63% | 0.626 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -97.2 | 0.4 | 178.1 | 44.9 | 0 | 0 | 0 | 0 | 114.1 | A102 I103 G107 H109 | A102-T105 PolarHBondContact O-OG1 3.04Å; I103-T105 PolarHBondContact O-N 2.83Å; T105-G107 VanDerWaalsContact C-N 3.31Å; T105-G107 PolarHBondContact O-N 2.89Å; T105-H109 PolarHBondContact O-N 3.02Å |
| 106 | D | 68.2 | Low | 68.2 | Low | 73 Ų | 73 | 114.7 Ų | 114.7 | 39% | 0.39 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -28.2 | -170.1 | -74.1 | -11.3 | 0 | 0 | 0 | 113.9 | I103 K110 | I103-D106 WeakPolarHBondContact CA-OD2 3.24Å; D106-K110 WeakPolarHBondContact O-CB 3.37Å; D106-K110 PolarHBondContact O-N 2.74Å |
| 107 | G | 80.8 | Confident | 70.9 | Confident | 60 Ų | 60 | 112.6 Ų | 112.6 | 62% | 0.619 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.3 | -48.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T105 A111 | T105-G107 VanDerWaalsContact C-N 3.31Å; T105-G107 PolarHBondContact O-N 2.89Å; G107-A111 WeakPolarHBondContact O-CB 3.17Å; G107-A111 PolarHBondContact O-N 2.98Å; G107-A111 VanDerWaalsContact O-N 3.12Å |
| 108 | A | 85.6 | Confident | 73.6 | Confident | 80 Ų | 80 | 113.6 Ų | 113.6 | 66% | 0.661 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73.7 | -38.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | A111 L112 | A108-A111 PolarHBondContact O-N 3.45Å; A108-L112 WeakPolarHBondContact O-CB 3.45Å; A108-L112 PolarHBondContact O-N 2.99Å |
| 109 | H | 84.5 | Confident | 76.6 | Confident | 105 Ų | 105 | 107.6 Ų | 107.6 | 49% | 0.486 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.8 | -44.9 | 177.2 | -169 | -96 | 0 | 0 | 0 | 111.5 | T105 L112 E113 | T105-H109 PolarHBondContact O-N 3.02Å; H109-L112 WeakPolarHBondContact O-CB 3.39Å; H109-L112 PolarHBondContact O-N 2.9Å; H109-E113 IonicContact CE1-OE1 3.09Å; H109-E113 PolarHBondContact CE1-OE1 3.46Å; H109-E113 IonicContact ND1-OE1 3.25Å; H109-E113 PolarHBondContact ND1-OE1 3.03Å; H109-E113 WeakPolarHBondContact O-CG 3.48Å; H109-E113 PolarHBondContact O-N 3.24Å |
| 110 | K | 91.4 | Very high | 79.3 | Confident | 121 Ų | 121 | 105.1 Ų | 105.1 | 53% | 0.526 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 176.5 | -173.8 | 178.2 | 178 | -176.8 | 0 | 112.2 | D106 L112 E113 E114 | D106-K110 WeakPolarHBondContact O-CB 3.37Å; D106-K110 PolarHBondContact O-N 2.74Å; K110-L112 VanDerWaalsContact C-N 3.33Å; K110-L112 PolarHBondContact O-N 3.17Å; K110-E113 PolarHBondContact O-N 3.36Å; K110-E114 VanDerWaalsContact CE-OE1 3.29Å; K110-E114 WeakPolarHBondContact CE-OE1 3.49Å; K110-E114 WeakPolarHBondContact O-CB 3.44Å; K110-E114 WeakPolarHBondContact O-CG 3.37Å; K110-E114 PolarHBondContact O-N 2.89Å |
| 111 | A | 91.3 | Very high | 81.8 | Confident | 55 Ų | 55 | 103.9 Ų | 103.9 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G107 A108 E114 E115 | G107-A111 WeakPolarHBondContact O-CB 3.17Å; G107-A111 PolarHBondContact O-N 2.98Å; G107-A111 VanDerWaalsContact O-N 3.12Å; A108-A111 PolarHBondContact O-N 3.45Å; A111-E114 PolarHBondContact O-N 3.32Å; A111-E115 PolarHBondContact O-N 3.48Å |
| 112 | L | 94.6 | Very high | 84.2 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 174.7 | -174.6 | 77.3 | 0 | 0 | 0 | 111.6 | A108 H109 K110 E114 E115 I116 | A108-L112 WeakPolarHBondContact O-CB 3.45Å; A108-L112 PolarHBondContact O-N 2.99Å; H109-L112 WeakPolarHBondContact O-CB 3.39Å; H109-L112 PolarHBondContact O-N 2.9Å; K110-L112 VanDerWaalsContact C-N 3.33Å; K110-L112 PolarHBondContact O-N 3.17Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 3.23Å; L112-E115 PolarHBondContact O-N 3.21Å; L112-I116 HydrophobicContact CD2-CD1 4.41Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 VanDerWaalsContact O-CG1 3.27Å; L112-I116 WeakPolarHBondContact O-CG1 3.48Å; L112-I116 PolarHBondContact O-N 2.93Å |
| 113 | E | 93.8 | Very high | 86.4 | Confident | 75 Ų | 75 | 100 Ų | 100 | 35% | 0.35 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 176.7 | -75.5 | -178.4 | -170.3 | 0 | 0 | 113.1 | H109 K110 I116 R117 | H109-E113 IonicContact CE1-OE1 3.09Å; H109-E113 PolarHBondContact CE1-OE1 3.46Å; H109-E113 IonicContact ND1-OE1 3.25Å; H109-E113 PolarHBondContact ND1-OE1 3.03Å; H109-E113 WeakPolarHBondContact O-CG 3.48Å; H109-E113 PolarHBondContact O-N 3.24Å; K110-E113 PolarHBondContact O-N 3.36Å; E113-I116 PolarHBondContact O-N 2.73Å; E113-R117 WeakPolarHBondContact O-CB 3.45Å; E113-R117 WeakPolarHBondContact O-CG 3.41Å; E113-R117 PolarHBondContact O-N 3.13Å; E113-R117 PolarHBondContact O-NE 3.48Å; E113-R117 IonicContact OE2-NH2 3.99Å; E113-R117 PolarHBondContact OE2-NH2 3.21Å |
| 114 | E | 94.4 | Very high | 88.7 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 48% | 0.477 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 174.6 | -75.3 | 174.8 | -169.2 | 0 | 0 | 110.8 | K110 A111 L112 R117 R118 | K110-E114 VanDerWaalsContact CE-OE1 3.29Å; K110-E114 WeakPolarHBondContact CE-OE1 3.49Å; K110-E114 WeakPolarHBondContact O-CB 3.44Å; K110-E114 WeakPolarHBondContact O-CG 3.37Å; K110-E114 PolarHBondContact O-N 2.89Å; A111-E114 PolarHBondContact O-N 3.32Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 3.23Å; E114-R117 WeakPolarHBondContact O-CB 3.37Å; E114-R117 PolarHBondContact O-N 2.99Å; E114-R118 WeakPolarHBondContact O-CB 3.13Å; E114-R118 PolarHBondContact O-N 2.88Å |
| 115 | E | 95.6 | Very high | 90.7 | Very high | 81 Ų | 81 | 93.6 Ų | 93.6 | 38% | 0.379 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 175 | -171 | 58.1 | -152 | 0 | 0 | 111.9 | A111 L112 R117 R118 I119 | A111-E115 PolarHBondContact O-N 3.48Å; L112-E115 PolarHBondContact O-N 3.21Å; E115-R117 VanDerWaalsContact C-N 3.29Å; E115-R117 PolarHBondContact O-N 3.15Å; E115-R118 WeakPolarHBondContact O-CB 3.3Å; E115-R118 PolarHBondContact O-N 2.82Å; E115-R118 IonicContact OE1-CZ 2.92Å; E115-R118 IonicContact OE1-NH1 3.7Å; E115-R118 PolarHBondContact OE1-NH1 3.05Å; E115-I119 HydrophobicContact CG-CD1 4Å; E115-I119 VanDerWaalsContact O-CG1 3.3Å; E115-I119 WeakPolarHBondContact O-CG1 3.37Å; E115-I119 PolarHBondContact O-N 2.96Å |
| 116 | I | 95.7 | Very high | 92.6 | Very high | 69 Ų | 69 | 96.7 Ų | 96.7 | 35% | 0.354 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 174.5 | -69.8 | 166.5 | 0 | 0 | 0 | 110.6 | L112 E113 I119 R120 | L112-I116 HydrophobicContact CD2-CD1 4.41Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 VanDerWaalsContact O-CG1 3.27Å; L112-I116 WeakPolarHBondContact O-CG1 3.48Å; L112-I116 PolarHBondContact O-N 2.93Å; E113-I116 PolarHBondContact O-N 2.73Å; I116-I119 PolarHBondContact O-N 3.16Å; I116-R120 VanDerWaalsContact O-CG 3.3Å; I116-R120 WeakPolarHBondContact O-CG 3.17Å; I116-R120 PolarHBondContact O-N 3.07Å |
| 117 | R | 96.2 | Very high | 93.9 | Very high | 137 Ų | 137 | 99.3 Ų | 99.3 | 52% | 0.517 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 174.7 | -79.3 | -177.3 | -103.1 | -168.8 | -9.8 | 112 | E113 E114 E115 R120 T121 | E113-R117 WeakPolarHBondContact O-CB 3.45Å; E113-R117 WeakPolarHBondContact O-CG 3.41Å; E113-R117 PolarHBondContact O-N 3.13Å; E113-R117 PolarHBondContact O-NE 3.48Å; E113-R117 IonicContact OE2-NH2 3.99Å; E113-R117 PolarHBondContact OE2-NH2 3.21Å; E114-R117 WeakPolarHBondContact O-CB 3.37Å; E114-R117 PolarHBondContact O-N 2.99Å; E115-R117 VanDerWaalsContact C-N 3.29Å; E115-R117 PolarHBondContact O-N 3.15Å; R117-R120 PolarHBondContact O-N 3.27Å; R117-T121 WeakPolarHBondContact O-CG2 3.24Å; R117-T121 PolarHBondContact O-N 3.35Å; R117-T121 VanDerWaalsContact O-N 3.12Å; R117-T121 PolarHBondContact O-OG1 3.07Å |
| 118 | R | 97 | Very high | 94.6 | Very high | 129 Ų | 129 | 103.6 Ų | 103.6 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 174.2 | -179.6 | -173.5 | 167.7 | -79 | -24.6 | 111.5 | E114 E115 R120 T121 E122 | E114-R118 WeakPolarHBondContact O-CB 3.13Å; E114-R118 PolarHBondContact O-N 2.88Å; E115-R118 WeakPolarHBondContact O-CB 3.3Å; E115-R118 PolarHBondContact O-N 2.82Å; E115-R118 IonicContact OE1-CZ 2.92Å; E115-R118 IonicContact OE1-NH1 3.7Å; E115-R118 PolarHBondContact OE1-NH1 3.05Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 2.78Å; R118-T121 PolarHBondContact O-N 3.34Å; R118-T121 PolarHBondContact O-OG1 2.88Å; R118-E122 IonicContact CZ-OE2 3.61Å; R118-E122 IonicContact NH1-OE2 2.68Å; R118-E122 IonicContact NH2-OE2 2.97Å; R118-E122 PolarHBondContact NH2-OE2 3.36Å; R118-E122 WeakPolarHBondContact O-CB 3.36Å; R118-E122 PolarHBondContact O-N 3.29Å |
| 119 | I | 97.3 | Very high | 95.1 | Very high | 76 Ų | 76 | 105.3 Ų | 105.3 | 39% | 0.39 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 179.4 | -68.2 | 166.3 | 0 | 0 | 0 | 111 | E115 I116 E122 I123 | E115-I119 HydrophobicContact CG-CD1 4Å; E115-I119 VanDerWaalsContact O-CG1 3.3Å; E115-I119 WeakPolarHBondContact O-CG1 3.37Å; E115-I119 PolarHBondContact O-N 2.96Å; I116-I119 PolarHBondContact O-N 3.16Å; I119-E122 PolarHBondContact O-N 3.08Å; I119-I123 HydrophobicContact CG2-CD1 3.73Å; I119-I123 HydrophobicContact CG2-CG1 4.37Å; I119-I123 WeakPolarHBondContact O-CB 3.25Å; I119-I123 VanDerWaalsContact O-CG1 3.27Å; I119-I123 WeakPolarHBondContact O-CG1 3.27Å; I119-I123 PolarHBondContact O-N 2.93Å |
| 120 | R | 96.6 | Very high | 95.5 | Very high | 163 Ų | 163 | 104.7 Ų | 104.7 | 62% | 0.615 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.3 | -46.3 | 177.6 | -75.5 | 174.6 | -176.7 | 179.4 | 3.3 | 112.2 | I116 R117 R118 I123 E124 | I116-R120 VanDerWaalsContact O-CG 3.3Å; I116-R120 WeakPolarHBondContact O-CG 3.17Å; I116-R120 PolarHBondContact O-N 3.07Å; R117-R120 PolarHBondContact O-N 3.27Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-R120 PolarHBondContact O-N 2.78Å; R120-I123 PolarHBondContact O-N 2.93Å; R120-E124 WeakPolarHBondContact O-CG 3.38Å; R120-E124 PolarHBondContact O-N 2.86Å |
| 121 | T | 96.6 | Very high | 95.6 | Very high | 75 Ų | 75 | 105.8 Ų | 105.8 | 46% | 0.46 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.3 | -36.2 | 178.5 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | R117 R118 E124 N125 | R117-T121 WeakPolarHBondContact O-CG2 3.24Å; R117-T121 PolarHBondContact O-N 3.35Å; R117-T121 VanDerWaalsContact O-N 3.12Å; R117-T121 PolarHBondContact O-OG1 3.07Å; R118-T121 PolarHBondContact O-N 3.34Å; R118-T121 PolarHBondContact O-OG1 2.88Å; T121-E124 PolarHBondContact O-N 2.95Å; T121-N125 WeakPolarHBondContact O-CB 3.48Å; T121-N125 VanDerWaalsContact O-CG 3.28Å; T121-N125 PolarHBondContact O-N 2.94Å; T121-N125 PolarHBondContact O-ND2 3.17Å |
| 122 | E | 97.8 | Very high | 95.6 | Very high | 83 Ų | 83 | 105.9 Ų | 105.9 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 173.1 | -172.2 | 176.3 | 157.7 | 0 | 0 | 111.7 | R118 I119 N125 R126 | R118-E122 IonicContact CZ-OE2 3.61Å; R118-E122 IonicContact NH1-OE2 2.68Å; R118-E122 IonicContact NH2-OE2 2.97Å; R118-E122 PolarHBondContact NH2-OE2 3.36Å; R118-E122 WeakPolarHBondContact O-CB 3.36Å; R118-E122 PolarHBondContact O-N 3.29Å; I119-E122 PolarHBondContact O-N 3.08Å; E122-N125 PolarHBondContact O-N 2.89Å; E122-R126 WeakPolarHBondContact O-CB 3.44Å; E122-R126 PolarHBondContact O-N 2.81Å |
| 123 | I | 97.3 | Very high | 95.4 | Very high | 84 Ų | 84 | 108.4 Ų | 108.4 | 43% | 0.431 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 176.5 | -70.3 | 168.3 | 0 | 0 | 0 | 111.1 | I119 R120 N125 R126 K127 | I119-I123 HydrophobicContact CG2-CD1 3.73Å; I119-I123 HydrophobicContact CG2-CG1 4.37Å; I119-I123 WeakPolarHBondContact O-CB 3.25Å; I119-I123 VanDerWaalsContact O-CG1 3.27Å; I119-I123 WeakPolarHBondContact O-CG1 3.27Å; I119-I123 PolarHBondContact O-N 2.93Å; R120-I123 PolarHBondContact O-N 2.93Å; I123-N125 PolarHBondContact O-N 2.85Å; I123-R126 PolarHBondContact O-N 3.23Å; I123-K127 HydrophobicContact CG2-CD 4.26Å; I123-K127 WeakPolarHBondContact O-CG 3.31Å; I123-K127 PolarHBondContact O-N 3.46Å |
| 124 | E | 96.5 | Very high | 95.1 | Very high | 120 Ų | 120 | 110.6 Ų | 110.6 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -40.4 | 177.3 | -76.8 | -179.2 | 177.1 | 0 | 0 | 112.5 | R120 T121 K127 R128 | R120-E124 WeakPolarHBondContact O-CG 3.38Å; R120-E124 PolarHBondContact O-N 2.86Å; T121-E124 PolarHBondContact O-N 2.95Å; E124-K127 PolarHBondContact O-N 3.03Å; E124-R128 WeakPolarHBondContact O-CG 3.33Å; E124-R128 PolarHBondContact O-N 3.38Å |
| 125 | N | 96.8 | Very high | 94.8 | Very high | 72 Ų | 72 | 111.3 Ų | 111.3 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 173 | -74.8 | -17 | 0 | 0 | 0 | 111.5 | T121 E122 I123 K127 R128 I129 | T121-N125 WeakPolarHBondContact O-CB 3.48Å; T121-N125 VanDerWaalsContact O-CG 3.28Å; T121-N125 PolarHBondContact O-N 2.94Å; T121-N125 PolarHBondContact O-ND2 3.17Å; E122-N125 PolarHBondContact O-N 2.89Å; I123-N125 PolarHBondContact O-N 2.85Å; N125-K127 VanDerWaalsContact C-N 3.34Å; N125-K127 PolarHBondContact O-N 2.95Å; N125-R128 PolarHBondContact O-N 3.17Å; N125-R128 PolarHBondContact OD1-NH2 2.95Å; N125-I129 WeakPolarHBondContact O-CG1 3.48Å; N125-I129 PolarHBondContact O-N 3.21Å |
| 126 | R | 96.2 | Very high | 94.3 | Very high | 168 Ų | 168 | 110.3 Ų | 110.3 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -39.9 | 178.6 | -153.3 | 168.1 | -172.9 | 152.4 | -1.9 | 111.7 | E122 I123 I129 L130 | E122-R126 WeakPolarHBondContact O-CB 3.44Å; E122-R126 PolarHBondContact O-N 2.81Å; I123-R126 PolarHBondContact O-N 3.23Å; R126-I129 PolarHBondContact O-N 3.39Å; R126-L130 WeakPolarHBondContact O-CB 3.4Å; R126-L130 VanDerWaalsContact O-CG 3.31Å; R126-L130 WeakPolarHBondContact O-CG 3.39Å; R126-L130 PolarHBondContact O-N 3.18Å |
| 127 | K | 96.3 | Very high | 93.7 | Very high | 127 Ų | 127 | 112.5 Ų | 112.5 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 172.7 | -74.8 | 179.1 | 178.8 | -177.7 | 0 | 112.3 | I123 E124 N125 L130 R131 | I123-K127 HydrophobicContact CG2-CD 4.26Å; I123-K127 WeakPolarHBondContact O-CG 3.31Å; I123-K127 PolarHBondContact O-N 3.46Å; E124-K127 PolarHBondContact O-N 3.03Å; N125-K127 VanDerWaalsContact C-N 3.34Å; N125-K127 PolarHBondContact O-N 2.95Å; K127-L130 PolarHBondContact O-N 3.14Å; K127-R131 PolarHBondContact O-N 2.86Å |
| 128 | R | 94.8 | Very high | 92.8 | Very high | 151 Ų | 151 | 111.7 Ų | 111.7 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -45.2 | 175 | -75.9 | -168.7 | -77.5 | 178.4 | -6.1 | 112.4 | E124 N125 L130 R131 A132 | E124-R128 WeakPolarHBondContact O-CG 3.33Å; E124-R128 PolarHBondContact O-N 3.38Å; N125-R128 PolarHBondContact O-N 3.17Å; N125-R128 PolarHBondContact OD1-NH2 2.95Å; R128-L130 VanDerWaalsContact C-N 3.33Å; R128-L130 PolarHBondContact O-N 3.02Å; R128-R131 PolarHBondContact O-N 3.36Å; R128-A132 PolarHBondContact O-N 2.74Å |
| 129 | I | 95.6 | Very high | 91.7 | Very high | 116 Ų | 116 | 110.6 Ų | 110.6 | 60% | 0.595 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.5 | -41.3 | 177.3 | -66 | 165.8 | 0 | 0 | 0 | 111 | N125 R126 R133 | N125-I129 WeakPolarHBondContact O-CG1 3.48Å; N125-I129 PolarHBondContact O-N 3.21Å; R126-I129 PolarHBondContact O-N 3.39Å; I129-R133 WeakPolarHBondContact O-CB 3.39Å; I129-R133 PolarHBondContact O-N 2.74Å |
| 130 | L | 93.3 | Very high | 90.6 | Very high | 91 Ų | 91 | 114.9 Ų | 114.9 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 178.2 | -74.2 | 176.2 | 0 | 0 | 0 | 112.2 | R126 K127 R128 R133 E134 | R126-L130 WeakPolarHBondContact O-CB 3.4Å; R126-L130 VanDerWaalsContact O-CG 3.31Å; R126-L130 WeakPolarHBondContact O-CG 3.39Å; R126-L130 PolarHBondContact O-N 3.18Å; K127-L130 PolarHBondContact O-N 3.14Å; R128-L130 VanDerWaalsContact C-N 3.33Å; R128-L130 PolarHBondContact O-N 3.02Å; L130-R133 WeakPolarHBondContact O-CB 3.49Å; L130-R133 PolarHBondContact O-N 2.84Å; L130-R133 VanDerWaalsContact O-N 3.16Å; L130-E134 WeakPolarHBondContact O-CG 3.42Å; L130-E134 PolarHBondContact O-N 3.45Å |
| 131 | R | 93.1 | Very high | 89 | Confident | 145 Ų | 145 | 114 Ų | 114 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 174.9 | -75.5 | -170.6 | -68.9 | -148.4 | 1.1 | 112.3 | K127 R128 R133 E134 E135 | K127-R131 PolarHBondContact O-N 2.86Å; R128-R131 PolarHBondContact O-N 3.36Å; R131-R133 PolarHBondContact O-N 3.26Å; R131-E134 PolarHBondContact O-N 3.46Å; R131-E134 VanDerWaalsContact O-N 3.08Å; R131-E135 WeakPolarHBondContact O-CG 3.28Å; R131-E135 PolarHBondContact O-N 2.8Å |
| 132 | A | 91.8 | Very high | 87.1 | Confident | 56 Ų | 56 | 116.2 Ų | 116.2 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.7 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R128 A136 | R128-A132 PolarHBondContact O-N 2.74Å; A132-A136 WeakPolarHBondContact O-CB 3.45Å; A132-A136 PolarHBondContact O-N 2.87Å |
| 133 | R | 91.5 | Very high | 85.2 | Confident | 157 Ų | 157 | 116.6 Ų | 116.6 | 59% | 0.592 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72.8 | -34.6 | 175.1 | -171.9 | 179.2 | -178 | -173.1 | 0.7 | 112.4 | I129 L130 R131 K137 | I129-R133 WeakPolarHBondContact O-CB 3.39Å; I129-R133 PolarHBondContact O-N 2.74Å; L130-R133 WeakPolarHBondContact O-CB 3.49Å; L130-R133 PolarHBondContact O-N 2.84Å; L130-R133 VanDerWaalsContact O-N 3.16Å; R131-R133 PolarHBondContact O-N 3.26Å; R133-K137 VanDerWaalsContact O-CG 3.31Å; R133-K137 WeakPolarHBondContact O-CG 3.42Å; R133-K137 PolarHBondContact O-N 2.91Å |
| 134 | E | 87.5 | Confident | 83.2 | Confident | 120 Ų | 120 | 119.7 Ų | 119.7 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67 | -48.6 | 173.7 | -76.7 | 178.2 | 163.7 | 0 | 0 | 110.9 | L130 R131 A136 K137 E138 | L130-E134 WeakPolarHBondContact O-CG 3.42Å; L130-E134 PolarHBondContact O-N 3.45Å; R131-E134 PolarHBondContact O-N 3.46Å; R131-E134 VanDerWaalsContact O-N 3.08Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.33Å; E134-K137 WeakPolarHBondContact O-CA 3.19Å; E134-K137 WeakPolarHBondContact O-CB 3.04Å; E134-K137 PolarHBondContact O-N 2.8Å; E134-E138 PolarHBondContact O-N 3.47Å |
| 135 | E | 87 | Confident | 81.4 | Confident | 118 Ų | 118 | 118.1 Ų | 118.1 | 55% | 0.551 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -57.7 | -41.9 | 175.2 | -69.8 | 168.3 | -165.3 | 0 | 0 | 111.7 | R131 K137 E138 N139 | R131-E135 WeakPolarHBondContact O-CG 3.28Å; R131-E135 PolarHBondContact O-N 2.8Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 2.97Å; E135-E138 PolarHBondContact O-N 2.97Å; E135-N139 VanDerWaalsContact O-CG 3.31Å; E135-N139 PolarHBondContact O-N 2.99Å; E135-N139 PolarHBondContact O-ND2 2.8Å |
| 136 | A | 84.6 | Confident | 79.2 | Confident | 59 Ų | 59 | 121.7 Ų | 121.7 | 49% | 0.488 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.8 | -31 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A132 E134 K140 | A132-A136 WeakPolarHBondContact O-CB 3.45Å; A132-A136 PolarHBondContact O-N 2.87Å; E134-A136 VanDerWaalsContact C-N 3.31Å; E134-A136 PolarHBondContact O-N 3.33Å; A136-K140 PolarHBondContact O-N 2.8Å |
| 137 | K | 82.8 | Confident | 77.3 | Confident | 116 Ų | 116 | 119.7 Ų | 119.7 | 50% | 0.504 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.2 | -37.8 | 175.3 | -75.3 | 173.1 | 179.3 | -178 | 0 | 111.7 | R133 E134 E135 K140 K141 | R133-K137 VanDerWaalsContact O-CG 3.31Å; R133-K137 WeakPolarHBondContact O-CG 3.42Å; R133-K137 PolarHBondContact O-N 2.91Å; E134-K137 WeakPolarHBondContact O-CA 3.19Å; E134-K137 WeakPolarHBondContact O-CB 3.04Å; E134-K137 PolarHBondContact O-N 2.8Å; E135-K137 VanDerWaalsContact C-N 3.3Å; E135-K137 PolarHBondContact O-N 2.97Å; K137-K140 PolarHBondContact O-N 2.94Å; K137-K141 PolarHBondContact O-N 3.17Å; K137-K141 VanDerWaalsContact O-N 3.09Å |
| 138 | E | 77.6 | Confident | 75.1 | Confident | 119 Ų | 119 | 120.4 Ų | 120.4 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.3 | -46 | 176.3 | -71.6 | -173.1 | 168.5 | 0 | 0 | 111.3 | E134 E135 K140 K141 H142 | E134-E138 PolarHBondContact O-N 3.47Å; E135-E138 PolarHBondContact O-N 2.97Å; E138-K140 PolarHBondContact O-N 3.18Å; E138-K141 WeakPolarHBondContact O-CB 3.48Å; E138-K141 PolarHBondContact O-N 2.9Å; E138-H142 PolarHBondContact O-CD2 3.35Å; E138-H142 VanDerWaalsContact O-CD2 3.24Å; E138-H142 PolarHBondContact O-N 3.09Å |
| 139 | N | 73.9 | Confident | 73 | Confident | 107 Ų | 107 | 119.6 Ų | 119.6 | 57% | 0.572 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -57.9 | -37.2 | 174.4 | -68.7 | -23.5 | 0 | 0 | 0 | 112 | E135 H142 V143 | E135-N139 VanDerWaalsContact O-CG 3.31Å; E135-N139 PolarHBondContact O-N 2.99Å; E135-N139 PolarHBondContact O-ND2 2.8Å; N139-H142 PolarHBondContact O-N 2.93Å; N139-V143 WeakPolarHBondContact O-CG2 3.46Å; N139-V143 PolarHBondContact O-N 3.06Å; N139-V143 VanDerWaalsContact O-N 3.16Å |
| 140 | K | 74.3 | Confident | 70.5 | Confident | 165 Ų | 165 | 122.9 Ų | 122.9 | 72% | 0.717 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.6 | -28.8 | 176 | -163.9 | 172.2 | -175.5 | 176.8 | 0 | 113.4 | A136 K137 E138 K144 | A136-K140 PolarHBondContact O-N 2.8Å; K137-K140 PolarHBondContact O-N 2.94Å; E138-K140 PolarHBondContact O-N 3.18Å; K140-K144 PolarHBondContact O-N 3.34Å |
| 141 | K | 64.2 | Low | 68 | Low | 145 Ų | 145 | 127.4 Ų | 127.4 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.1 | -41.2 | 173.3 | -74.2 | -178.2 | 179.2 | -178.4 | 0 | 111.4 | K137 E138 V143 K144 I145 | K137-K141 PolarHBondContact O-N 3.17Å; K137-K141 VanDerWaalsContact O-N 3.09Å; E138-K141 WeakPolarHBondContact O-CB 3.48Å; E138-K141 PolarHBondContact O-N 2.9Å; K141-V143 PolarHBondContact O-N 3.17Å; K141-K144 WeakPolarHBondContact O-CA 3.4Å; K141-K144 WeakPolarHBondContact O-CB 3.41Å; K141-K144 PolarHBondContact O-N 3.37Å; K141-I145 WeakPolarHBondContact O-CG1 3.45Å; K141-I145 PolarHBondContact O-N 3.21Å |
| 142 | H | 55.7 | Low | 64.9 | Low | 122 Ų | 122 | 129.8 Ų | 129.8 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.9 | -40 | 176.8 | -75.1 | -67.5 | 0 | 0 | 0 | 112.4 | E138 N139 K144 I145 E146 | E138-H142 PolarHBondContact O-CD2 3.35Å; E138-H142 VanDerWaalsContact O-CD2 3.24Å; E138-H142 PolarHBondContact O-N 3.09Å; N139-H142 PolarHBondContact O-N 2.93Å; H142-K144 PolarHBondContact O-N 3.34Å; H142-I145 PolarHBondContact O-N 2.81Å; H142-E146 PolarHBondContact O-N 2.75Å |
| 143 | V | 58.4 | Low | 62.7 | Low | 91 Ų | 91 | 132.1 Ų | 132.1 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.6 | -27.7 | 172.5 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | N139 K141 N147 | N139-V143 WeakPolarHBondContact O-CG2 3.46Å; N139-V143 PolarHBondContact O-N 3.06Å; N139-V143 VanDerWaalsContact O-N 3.16Å; K141-V143 PolarHBondContact O-N 3.17Å; V143-N147 PolarHBondContact O-ND2 3.41Å; V143-N147 VanDerWaalsContact O-ND2 3.11Å |
| 144 | K | 56 | Low | 59.9 | Low | 149 Ų | 149 | 133.8 Ų | 133.8 | 65% | 0.648 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.1 | -40.7 | 175.5 | -115 | -178.3 | 177.9 | -166.6 | 0 | 112.4 | K140 K141 H142 N147 E148 | K140-K144 PolarHBondContact O-N 3.34Å; K141-K144 WeakPolarHBondContact O-CA 3.4Å; K141-K144 WeakPolarHBondContact O-CB 3.41Å; K141-K144 PolarHBondContact O-N 3.37Å; H142-K144 PolarHBondContact O-N 3.34Å; K144-N147 PolarHBondContact O-N 3.47Å; K144-E148 PolarHBondContact O-N 2.83Å |
| 145 | I | 56.9 | Low | 57 | Low | 86 Ų | 86 | 133.3 Ų | 133.3 | 44% | 0.441 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -71.4 | -35.1 | -177.9 | -64.2 | 163.1 | 0 | 0 | 0 | 111.1 | K141 H142 N147 E148 I149 | K141-I145 WeakPolarHBondContact O-CG1 3.45Å; K141-I145 PolarHBondContact O-N 3.21Å; H142-I145 PolarHBondContact O-N 2.81Å; I145-N147 PolarHBondContact O-N 3.08Å; I145-E148 PolarHBondContact O-N 3.09Å; I145-E148 VanDerWaalsContact O-N 3.12Å; I145-I149 HydrophobicContact CG2-CD1 3.9Å; I145-I149 HydrophobicContact CG2-CG1 4.46Å; I145-I149 WeakPolarHBondContact O-CG1 3.49Å; I145-I149 PolarHBondContact O-N 2.97Å |
| 146 | E | 51.5 | Low | 54.4 | Low | 148 Ų | 148 | 137.2 Ų | 137.2 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -66.4 | -25.6 | 177.5 | -149.7 | 172.6 | -158.8 | 0 | 0 | 112.6 | H142 | H142-E146 PolarHBondContact O-N 2.75Å |
| 147 | N | 55.7 | Low | 51.7 | Low | 126 Ų | 126 | 141.1 Ų | 141.1 | 67% | 0.674 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -79.5 | -24.4 | 173.7 | -71.5 | -30.4 | 0 | 0 | 0 | 113.4 | V143 K144 I145 | V143-N147 PolarHBondContact O-ND2 3.41Å; V143-N147 VanDerWaalsContact O-ND2 3.11Å; K144-N147 PolarHBondContact O-N 3.47Å; I145-N147 PolarHBondContact O-N 3.08Å |
| 148 | E | 50.3 | Low | 49.9 | Very low | 142 Ų | 142 | 141 Ų | 141 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -86.7 | -21.3 | -178 | -75 | 179.1 | -177.2 | 0 | 0 | 113.5 | K144 I145 K150 | K144-E148 PolarHBondContact O-N 2.83Å; I145-E148 PolarHBondContact O-N 3.09Å; I145-E148 VanDerWaalsContact O-N 3.12Å; E148-K150 PolarHBondContact O-N 3.29Å; E148-K150 VanDerWaalsContact O-N 3.1Å |
| 149 | I | 51.4 | Low | 47.6 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -3.6 | -177.9 | -67.2 | 164.8 | 0 | 0 | 0 | 113.3 | I145 | I145-I149 HydrophobicContact CG2-CD1 3.9Å; I145-I149 HydrophobicContact CG2-CG1 4.46Å; I145-I149 WeakPolarHBondContact O-CG1 3.49Å; I145-I149 PolarHBondContact O-N 2.97Å |
| 150 | K | 42.7 | Very low | 46.2 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 81% | 0.809 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 10.2 | 178.6 | -72.3 | -167.1 | 179.8 | -177.6 | 0 | 116.1 | E148 | E148-K150 PolarHBondContact O-N 3.29Å; E148-K150 VanDerWaalsContact O-N 3.1Å |
| 151 | Q | 40.6 | Very low | 44.2 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | -127.2 | 118.7 | 173.8 | -65.7 | -170.9 | 8.4 | 0 | 0 | 112.3 | ||||
| 152 | K | 28.9 | Very low | 42.6 | Very low | 195 Ų | 195 | 144.8 Ų | 144.8 | 85% | 0.848 | 73% | 0.725 | S | S | * | * | trans | -133.7 | 171 | -172.2 | -131.5 | -168 | -170.2 | -177 | 0 | 107.4 | ||||
| 153 | P | 46.3 | Very low | 41.5 | Very low | 106 Ų | 106 | 145 Ų | 145 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | -117.5 | 155 | -96.2 | 36.9 | -23.1 | 0 | 0 | 0 | 112.5 | |||||
| 154 | H | 30.8 | Very low | 40.4 | Very low | 191 Ų | 191 | 146.3 Ų | 146.3 | 88% | 0.884 | 74% | 0.744 | S | S | * | * | trans | -130.6 | 139.3 | 167.2 | -86.3 | -68.6 | 0 | 0 | 0 | 113.3 | ||||
| 155 | T | 27.5 | Very low | 39.4 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | -66.1 | 149.3 | -179.2 | 48.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 156 | K | 32.3 | Very low | 38.4 | Very low | 200 Ų | 200 | 149.7 Ų | 149.7 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | 146.1 | 141.7 | 123.9 | -76.3 | 179.5 | -172.5 | 178.8 | 0 | 112.9 | |||||
| 157 | T | 28 | Very low | 37.7 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | trans | -88.1 | 170.2 | -169.7 | 29.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 158 | P | 45.5 | Very low | 37 | Very low | 113 Ų | 113 | 150.4 Ų | 150.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -118.9 | 168.5 | -139 | 42.8 | -34.1 | 0 | 0 | 0 | 116.5 | ||||
| 159 | K | 28.7 | Very low | 36.4 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | 156.8 | 159.6 | 146.8 | -94.5 | 175 | -177.4 | -179.5 | 0 | 110.8 | ||||
| 160 | P | 45.5 | Very low | 35.9 | Very low | 107 Ų | 107 | 153.7 Ų | 153.7 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | -120 | -169.6 | -56.5 | 32.3 | -12.8 | 0 | 0 | 0 | 109.4 | |||||
| 161 | I | 31.5 | Very low | 35.6 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | trans | 107.1 | 117.4 | 166.5 | -58.9 | 153.5 | 0 | 0 | 0 | 115.2 | ||||
| 162 | E | 29.6 | Very low | 35.6 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | 46.8 | 99.2 | 148.6 | -66 | 164.3 | 168.4 | 0 | 0 | 119 | ||||
| 163 | S | 33.1 | Very low | 36.5 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | trans | -98.3 | 103.7 | 156.5 | 67.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 164 | D | 35.5 | Very low | 36 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -59.6 | 130.9 | 170.9 | -82.4 | -31.7 | 0 | 0 | 0 | 113.7 | ||||
| 165 | Y | 35.2 | Very low | 36.9 | Very low | 195 Ų | 195 | 139.4 Ų | 139.4 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 38.8 | 94 | 150.2 | -48.5 | -75.1 | 0 | 0 | 0 | 119.7 | ||||
| 166 | S | 36.4 | Very low | 37.4 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -87.5 | 104.2 | 138.5 | 76.3 | 0 | 0 | 0 | 0 | 108.5 | V168 | S166-V168 PolarHBondContact O-N 3.03Š| ||
| 167 | M | 37.4 | Very low | 37.8 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -66 | 103.3 | 172.1 | -79.8 | -157.6 | 172.2 | 0 | 0 | 110 | ||||
| 168 | V | 40.9 | Very low | 38.4 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | trans | -104.7 | 106.2 | 162.6 | 177.4 | 0 | 0 | 0 | 0 | 106.9 | S166 R170 | S166-V168 PolarHBondContact O-N 3.03Å; V168-R170 PolarHBondContact O-N 3Å | ||
| 169 | T | 36.1 | Very low | 38 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -61.9 | 102 | 170.3 | -44 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 170 | R | 41 | Very low | 38.1 | Very low | 199 Ų | 199 | 144.4 Ų | 144.4 | 75% | 0.751 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 123.2 | 176.2 | -142.6 | -176.1 | -168.5 | -128.5 | 3 | 108.8 | V168 D173 | V168-R170 PolarHBondContact O-N 3Å; R170-D173 IonicContact NH1-OD2 3.3Å; R170-D173 PolarHBondContact NH1-OD2 2.87Å |
| 171 | A | 36.7 | Very low | 37.8 | Very low | 85 Ų | 85 | 147.4 Ų | 147.4 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 147 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 172 | P | 40.5 | Very low | 37.8 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 132.8 | -162.2 | 28.5 | -33.3 | 0 | 0 | 0 | 113.3 | ||
| 173 | D | 47.7 | Very low | 38 | Very low | 135 Ų | 135 | 150.9 Ų | 150.9 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 130.9 | 170.3 | -95.5 | -41.4 | 0 | 0 | 0 | 110.2 | R170 | R170-D173 IonicContact NH1-OD2 3.3Å; R170-D173 PolarHBondContact NH1-OD2 2.87Å |
| 174 | A | 36.4 | Very low | 38.1 | Very low | 90 Ų | 90 | 150.6 Ų | 150.6 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 150.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R176 | A174-R176 PolarHBondContact O-N 3.46Š|
| 175 | P | 50.3 | Low | 37.9 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 116.8 | -151.1 | -5.5 | 23.7 | 0 | 0 | 0 | 112.5 | Q177 | P175-Q177 PolarHBondContact O-N 3.13Š|
| 176 | R | 36.7 | Very low | 37.9 | Very low | 222 Ų | 222 | 151.4 Ų | 151.4 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -80.6 | 107.5 | 164.9 | -79 | -177.2 | 174.4 | 171 | -0.1 | 109.7 | A174 H178 | A174-R176 PolarHBondContact O-N 3.46Å; R176-H178 PolarHBondContact O-N 2.89Å | ||
| 177 | Q | 40.3 | Very low | 37.5 | Very low | 181 Ų | 181 | 155 Ų | 155 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -58.8 | 95.5 | 168 | -68.8 | -97.5 | -34.2 | 0 | 0 | 110 | P175 | P175-Q177 PolarHBondContact O-N 3.13Š| ||
| 178 | H | 41.1 | Very low | 37.4 | Very low | 175 Ų | 175 | 155.9 Ų | 155.9 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -78.7 | 122.2 | 166.1 | -81.9 | -85.8 | 0 | 0 | 0 | 109 | R176 | R176-H178 PolarHBondContact O-N 2.89Š| ||
| 179 | K | 36.6 | Very low | 37.1 | Very low | 193 Ų | 193 | 155.6 Ų | 155.6 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -71 | 143 | -173.3 | -65.5 | 176.3 | 177.5 | -179.3 | 0 | 111.7 | ||||
| 180 | S | 31.8 | Very low | 36.8 | Very low | 99 Ų | 99 | 156.7 Ų | 156.7 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | 67.1 | 112.1 | 158 | 65.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 181 | N | 39 | Very low | 36.5 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | -145.9 | 134.7 | 102.8 | -84.6 | -35 | 0 | 0 | 0 | 109.7 | |||||
| 182 | K | 32.4 | Very low | 36.5 | Very low | 204 Ų | 204 | 160.6 Ų | 160.6 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -76 | 132.3 | -176.9 | -63.4 | 171.2 | 176.7 | 179.7 | 0 | 110.4 | ||||
| 183 | M | 33.9 | Very low | 36.1 | Very low | 179 Ų | 179 | 164.3 Ų | 164.3 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -162.8 | 142.8 | 133.1 | -109.6 | -173.3 | 67.7 | 0 | 0 | 110.3 | ||||
| 184 | P | 34.2 | Very low | 35.9 | Very low | 120 Ų | 120 | 165.3 Ų | 165.3 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 147.5 | -153.2 | -14.5 | 32.1 | 0 | 0 | 0 | 115.5 | ||
| 185 | L | 32.2 | Very low | 35.7 | Very low | 177 Ų | 177 | 169.9 Ų | 169.9 | 93% | 0.927 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 125.9 | 174.1 | -166.3 | 75.8 | 0 | 0 | 0 | 111 | ||
| 186 | Q | 35.1 | Very low | 35.2 | Very low | 154 Ų | 154 | 169.5 Ų | 169.5 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 116.6 | 176 | -157.6 | 171.2 | 19 | 0 | 0 | 108.6 | Y188 | Q186-Y188 HydrophobicContact CG-CD2 4.21Å; Q186-Y188 HydrophobicContact CG-CE2 3.9Å |
| 187 | E | 28.1 | Very low | 35.3 | Very low | 185 Ų | 185 | 164.9 Ų | 164.9 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 120.6 | 172.9 | -126.2 | 169.2 | -171.7 | 0 | 0 | 109.9 | ||
| 188 | Y | 35.4 | Very low | 35.3 | Very low | 194 Ų | 194 | 166.1 Ų | 166.1 | 76% | 0.761 | 82% | 0.822 | S | S | * | * | trans | -137.6 | 104.3 | 160.6 | -85.6 | -77.4 | 0 | 0 | 0 | 110.6 | Q186 | Q186-Y188 HydrophobicContact CG-CD2 4.21Å; Q186-Y188 HydrophobicContact CG-CE2 3.9Å | ||
| 189 | S | 32.9 | Very low | 35.2 | Very low | 109 Ų | 109 | 162.4 Ų | 162.4 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | 57.9 | 115.7 | 129.6 | -166.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 190 | E | 31.4 | Very low | 35.3 | Very low | 169 Ų | 169 | 156.8 Ų | 156.8 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -35.6 | 139 | 149.3 | -64.2 | 169.6 | 141.5 | 0 | 0 | 114.3 | ||||
| 191 | N | 34.5 | Very low | 35.7 | Very low | 137 Ų | 137 | 158.5 Ų | 158.5 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | 145.6 | 93.7 | 128.1 | -76.4 | -23.8 | 0 | 0 | 0 | 113.6 | |||||
| 192 | W | 36.8 | Very low | 35.7 | Very low | 229 Ų | 229 | 160.6 Ų | 160.6 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -153.6 | 103.1 | 140.8 | 18.6 | -91.7 | 0 | 0 | 0 | 110.8 | ||||
| 193 | K | 31.2 | Very low | 36 | Very low | 209 Ų | 209 | 156.3 Ų | 156.3 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -58 | 126.2 | 161.8 | -69.4 | 177.6 | 174.1 | -175.7 | 0 | 109.3 | ||||
| 194 | L | 42.6 | Very low | 36.1 | Very low | 157 Ų | 157 | 153.6 Ų | 153.6 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -122.1 | 116.8 | 156 | -76.7 | 166.6 | 0 | 0 | 0 | 106.7 | ||||
| 195 | E | 33.2 | Very low | 36.5 | Very low | 185 Ų | 185 | 155.9 Ų | 155.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.3 | 176.7 | -83.4 | -150.9 | 151.7 | 0 | 0 | 111.4 | ||
| 196 | P | 39.9 | Very low | 37.4 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75 | 131.3 | -174.8 | 27.8 | -31.8 | 0 | 0 | 0 | 111.9 | K198 | P196-K198 PolarHBondContact O-N 3.07Š|
| 197 | P | 38.3 | Very low | 38.6 | Very low | 125 Ų | 125 | 154.3 Ų | 154.3 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 134.5 | 168.6 | -15.7 | 29.1 | 0 | 0 | 0 | 110.5 | A199 | P197-A199 PolarHBondContact O-N 3.45Š|
| 198 | K | 39.8 | Very low | 40.4 | Very low | 207 Ų | 207 | 157.1 Ų | 157.1 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 119.6 | -179.2 | -64.1 | 171.1 | -178.2 | 176.3 | 0 | 111.3 | P196 A200 | P196-K198 PolarHBondContact O-N 3.07Å; K198-A200 PolarHBondContact O-N 2.96Å; K198-A200 VanDerWaalsContact O-N 3.12Å |
| 199 | A | 39.3 | Very low | 42.4 | Very low | 96 Ų | 96 | 151.6 Ų | 151.6 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | trans | -57.3 | 111.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P197 V201 | P197-A199 PolarHBondContact O-N 3.45Å; A199-V201 PolarHBondContact O-N 2.99Å | ||
| 200 | A | 39.1 | Very low | 44.6 | Very low | 75 Ų | 75 | 149.7 Ų | 149.7 | 62% | 0.62 | 77% | 0.771 | S | S | * | * | trans | -66.8 | 120.6 | 161 | 0 | 0 | 0 | 0 | 0 | 107.4 | K198 Y202 | K198-A200 PolarHBondContact O-N 2.96Å; K198-A200 VanDerWaalsContact O-N 3.12Å; A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 2.92Å | ||
| 201 | V | 41 | Very low | 47 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | trans | -61.6 | 92.9 | 177.7 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | A199 T203 | A199-V201 PolarHBondContact O-N 2.99Å; V201-T203 PolarHBondContact O-N 3.06Å | ||
| 202 | Y | 37.9 | Very low | 49.3 | Very low | 212 Ų | 212 | 151.2 Ų | 151.2 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -72.5 | 106.4 | 163.9 | -82.3 | -86.3 | 0 | 0 | 0 | 107.7 | A200 C204 | A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 2.92Å; Y202-C204 PolarHBondContact O-N 3.26Å | ||
| 203 | T | 39.2 | Very low | 51.5 | Low | 115 Ų | 115 | 145.4 Ų | 145.4 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -57 | 105.5 | 157.9 | 49.7 | 0 | 0 | 0 | 0 | 107.6 | V201 E205 | V201-T203 PolarHBondContact O-N 3.06Å; T203-E205 VanDerWaalsContact C-N 3.34Å; T203-E205 PolarHBondContact O-N 3.49Å | ||
| 204 | C | 36.4 | Very low | 53.7 | Low | 122 Ų | 122 | 138.8 Ų | 138.8 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -67.4 | 95.9 | 173.1 | -168.5 | 0 | 0 | 0 | 0 | 107.5 | Y202 K206 | Y202-C204 PolarHBondContact O-N 3.26Å; C204-K206 PolarHBondContact O-N 2.97Å | ||
| 205 | E | 42 | Very low | 55.5 | Low | 167 Ų | 167 | 135 Ų | 135 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | trans | -60.1 | 126.3 | 168.2 | -69.1 | -158.5 | 157.3 | 0 | 0 | 108 | T203 S207 | T203-E205 VanDerWaalsContact C-N 3.34Å; T203-E205 PolarHBondContact O-N 3.49Å; E205-S207 PolarHBondContact O-N 3.4Å | ||
| 206 | K | 51.5 | Low | 57.8 | Low | 198 Ų | 198 | 133.3 Ų | 133.3 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | trans | -42.7 | 114.3 | 179.1 | -67.2 | 166.2 | -178.2 | 171.9 | 0 | 109.1 | C204 R208 | C204-K206 PolarHBondContact O-N 2.97Å; K206-R208 PolarHBondContact O-N 3.37Å | ||
| 207 | S | 60.3 | Low | 59.8 | Low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | -45.7 | 111.7 | 179.5 | 28.4 | 0 | 0 | 0 | 0 | 110.1 | E205 L209 | E205-S207 PolarHBondContact O-N 3.4Å; S207-L209 PolarHBondContact O-N 2.92Å | ||
| 208 | R | 65.7 | Low | 61.2 | Low | 244 Ų | 244 | 130.5 Ų | 130.5 | 92% | 0.921 | 69% | 0.689 | S | S | * | * | trans | -60.6 | 102.5 | 168.9 | -90.1 | -178.4 | 157.9 | 137.4 | -5.7 | 106.9 | K206 S210 | K206-R208 PolarHBondContact O-N 3.37Å; R208-S210 PolarHBondContact O-N 3Å | ||
| 209 | L | 77.8 | Confident | 62.4 | Low | 78 Ų | 78 | 125.7 Ų | 125.7 | 41% | 0.408 | 68% | 0.679 | S | S | . | * | trans | -57.6 | 131.5 | 172.9 | -66.9 | 169.5 | 0 | 0 | 0 | 108.3 | S207 Q213 K217 | S207-L209 PolarHBondContact O-N 2.92Å; L209-Q213 HydrophobicContact CB-CB 4.29Å; L209-Q213 HydrophobicContact CD2-CB 4.3Å; L209-K217 HydrophobicContact CD1-CD 3.7Å | ||
| 210 | S | 78.3 | Confident | 63.6 | Low | 69 Ų | 69 | 127.8 Ų | 127.8 | 48% | 0.483 | 67% | 0.672 | S | S | . | * | trans | -60 | 151.4 | 171.6 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | R208 Y212 Q213 S214 | R208-S210 PolarHBondContact O-N 3Å; S210-Y212 PolarHBondContact O-N 3.35Å; S210-Y212 VanDerWaalsContact O-N 3.15Å; S210-Q213 WeakPolarHBondContact O-CA 3.37Å; S210-Q213 WeakPolarHBondContact O-CB 3.49Å; S210-Q213 PolarHBondContact O-N 3.1Å; S210-S214 PolarHBondContact O-N 3.46Å | ||
| 211 | E | 83.3 | Confident | 64.6 | Low | 170 Ų | 170 | 131.6 Ų | 131.6 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -53.4 | -35.6 | 178.4 | -172.9 | 179.6 | 177.4 | 0 | 0 | 112.3 | S214 A215 | E211-S214 PolarHBondContact O-N 3.44Å; E211-S214 PolarHBondContact O-OG 2.79Å; E211-A215 PolarHBondContact O-N 2.88Å; E211-A215 VanDerWaalsContact O-N 3.14Å |
| 212 | Y | 82.5 | Confident | 65.3 | Low | 168 Ų | 168 | 132.1 Ų | 132.1 | 66% | 0.659 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -65.5 | -42.6 | 173.8 | -174.3 | -94.8 | 0 | 0 | 0 | 112 | S210 S214 A215 F216 | S210-Y212 PolarHBondContact O-N 3.35Å; S210-Y212 VanDerWaalsContact O-N 3.15Å; Y212-S214 VanDerWaalsContact C-N 3.32Å; Y212-S214 PolarHBondContact O-N 2.94Å; Y212-A215 PolarHBondContact O-N 3.16Å; Y212-F216 HydrophobicContact CD1-CD2 4.41Å; Y212-F216 HydrophobicContact CD2-CD2 4.33Å; Y212-F216 AromaticContact CD2-CE2 3.99Å; Y212-F216 HydrophobicContact CD2-CE2 3.99Å; Y212-F216 HydrophobicContact CE1-CD2 4.09Å; Y212-F216 HydrophobicContact CE1-CE2 4.34Å; Y212-F216 HydrophobicContact CE2-CD2 4.02Å; Y212-F216 AromaticContact CE2-CE2 3.48Å; Y212-F216 HydrophobicContact CE2-CE2 3.48Å; Y212-F216 VanDerWaalsContact CE2-CE2 3.48Å; Y212-F216 HydrophobicContact CE2-CZ 4.46Å; Y212-F216 AromaticContact CZ-CD2 3.88Å; Y212-F216 AromaticContact CZ-CE2 3.68Å; Y212-F216 WeakPolarHBondContact O-CD2 3.07Å; Y212-F216 PolarHBondContact O-N 2.72Å |
| 213 | Q | 81.6 | Confident | 65.7 | Low | 107 Ų | 107 | 130.6 Ų | 130.6 | 50% | 0.5 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -67.6 | -33.7 | 179 | -67.7 | 173.3 | -38.2 | 0 | 0 | 111.7 | L209 S210 K217 | L209-Q213 HydrophobicContact CB-CB 4.29Å; L209-Q213 HydrophobicContact CD2-CB 4.3Å; S210-Q213 WeakPolarHBondContact O-CA 3.37Å; S210-Q213 WeakPolarHBondContact O-CB 3.49Å; S210-Q213 PolarHBondContact O-N 3.1Å; Q213-K217 WeakPolarHBondContact O-CB 3.43Å; Q213-K217 PolarHBondContact O-N 2.94Å; Q213-K217 VanDerWaalsContact O-N 3.09Å |
| 214 | S | 78.3 | Confident | 65.9 | Low | 70 Ų | 70 | 133.7 Ų | 133.7 | 49% | 0.49 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -72.7 | -33.6 | 177.4 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | S210 E211 Y212 F216 | S210-S214 PolarHBondContact O-N 3.46Å; E211-S214 PolarHBondContact O-N 3.44Å; E211-S214 PolarHBondContact O-OG 2.79Å; Y212-S214 VanDerWaalsContact C-N 3.32Å; Y212-S214 PolarHBondContact O-N 2.94Å; S214-F216 VanDerWaalsContact C-N 3.28Å; S214-F216 PolarHBondContact O-N 2.68Å |
| 215 | A | 81.1 | Confident | 66.1 | Low | 77 Ų | 77 | 135.4 Ų | 135.4 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -64.9 | -29.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E211 Y212 | E211-A215 PolarHBondContact O-N 2.88Å; E211-A215 VanDerWaalsContact O-N 3.14Å; Y212-A215 PolarHBondContact O-N 3.16Å |
| 216 | F | 80.3 | Confident | 66.1 | Low | 150 Ų | 150 | 134 Ų | 134 | 66% | 0.658 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -109.1 | 2.8 | -178.6 | -65.8 | -77.8 | 0 | 0 | 0 | 114.3 | Y212 S214 A218 | Y212-F216 HydrophobicContact CD1-CD2 4.41Å; Y212-F216 HydrophobicContact CD2-CD2 4.33Å; Y212-F216 AromaticContact CD2-CE2 3.99Å; Y212-F216 HydrophobicContact CD2-CE2 3.99Å; Y212-F216 HydrophobicContact CE1-CD2 4.09Å; Y212-F216 HydrophobicContact CE1-CE2 4.34Å; Y212-F216 HydrophobicContact CE2-CD2 4.02Å; Y212-F216 AromaticContact CE2-CE2 3.48Å; Y212-F216 HydrophobicContact CE2-CE2 3.48Å; Y212-F216 VanDerWaalsContact CE2-CE2 3.48Å; Y212-F216 HydrophobicContact CE2-CZ 4.46Å; Y212-F216 AromaticContact CZ-CD2 3.88Å; Y212-F216 AromaticContact CZ-CE2 3.68Å; Y212-F216 WeakPolarHBondContact O-CD2 3.07Å; Y212-F216 PolarHBondContact O-N 2.72Å; S214-F216 VanDerWaalsContact C-N 3.28Å; S214-F216 PolarHBondContact O-N 2.68Å; F216-A218 PolarHBondContact O-N 3.02Å |
| 217 | K | 82.6 | Confident | 65.8 | Low | 104 Ų | 104 | 129.9 Ų | 129.9 | 45% | 0.452 | 66% | 0.658 | S | S | . | * | trans | -69.8 | 116.3 | 176.6 | -172.9 | 167.5 | -179.9 | -179.3 | 0 | 109.8 | L209 Q213 | L209-K217 HydrophobicContact CD1-CD 3.7Å; Q213-K217 WeakPolarHBondContact O-CB 3.43Å; Q213-K217 PolarHBondContact O-N 2.94Å; Q213-K217 VanDerWaalsContact O-N 3.09Å | ||
| 218 | A | 67.8 | Low | 64.8 | Low | 75 Ų | 75 | 131.3 Ų | 131.3 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | trans | -56.4 | 142.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F216 Q220 | F216-A218 PolarHBondContact O-N 3.02Å; A218-Q220 PolarHBondContact O-N 2.94Å | ||
| 219 | P | 64.8 | Low | 63.6 | Low | 105 Ų | 105 | 129 Ų | 129 | 68% | 0.682 | 66% | 0.659 | S | S | * | * | trans | -53.5 | 115.5 | 177.1 | -22.9 | 31.8 | 0 | 0 | 0 | 109.6 | F221 | P219-F221 PolarHBondContact O-N 3.03Š| ||
| 220 | Q | 65.2 | Low | 61.9 | Low | 141 Ų | 141 | 130.3 Ų | 130.3 | 66% | 0.659 | 68% | 0.675 | S | S | * | * | trans | -70.6 | 102.3 | 171.8 | -69.4 | -157.6 | -20.8 | 0 | 0 | 107.2 | A218 N222 | A218-Q220 PolarHBondContact O-N 2.94Å; Q220-N222 PolarHBondContact O-N 3.2Å | ||
| 221 | F | 59.8 | Low | 60.1 | Low | 154 Ų | 154 | 133.3 Ų | 133.3 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | trans | -63.1 | 104.6 | 167.1 | -76 | -86.4 | 0 | 0 | 0 | 107.1 | P219 Y223 | P219-F221 PolarHBondContact O-N 3.03Å; F221-Y223 HydrophobicContact CB-CD2 4.05Å; F221-Y223 HydrophobicContact CB-CE2 3.6Å; F221-Y223 WeakPolarHBondContact O-CD2 3.47Å; F221-Y223 PolarHBondContact O-N 3.06Å | ||
| 222 | N | 54.4 | Low | 58.2 | Low | 147 Ų | 147 | 135.3 Ų | 135.3 | 79% | 0.786 | 69% | 0.69 | S | S | * | * | trans | -66.8 | 80.9 | 166.9 | -73.1 | -32.6 | 0 | 0 | 0 | 107.6 | Q220 K224 | Q220-N222 PolarHBondContact O-N 3.2Å; N222-K224 PolarHBondContact O-N 3.29Å | ||
| 223 | Y | 47.4 | Very low | 56.4 | Low | 180 Ų | 180 | 132.9 Ų | 132.9 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | -63.4 | 99.2 | 159.2 | -62.1 | -76.3 | 0 | 0 | 0 | 105.6 | F221 L225 | F221-Y223 HydrophobicContact CB-CD2 4.05Å; F221-Y223 HydrophobicContact CB-CE2 3.6Å; F221-Y223 WeakPolarHBondContact O-CD2 3.47Å; F221-Y223 PolarHBondContact O-N 3.06Å; Y223-L225 PolarHBondContact O-N 3.44Å | ||
| 224 | K | 42.9 | Very low | 54.5 | Low | 181 Ų | 181 | 137.1 Ų | 137.1 | 79% | 0.787 | 71% | 0.712 | S | S | * | * | trans | -57.3 | 93 | 153.3 | -74.7 | -98 | -174.9 | 174 | 0 | 104.5 | N222 E226 | N222-K224 PolarHBondContact O-N 3.29Å; K224-E226 PolarHBondContact O-N 3Å | ||
| 225 | L | 40.4 | Very low | 52.7 | Low | 157 Ų | 157 | 140.2 Ų | 140.2 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -69 | 77.8 | 171.9 | -137.4 | 90.9 | 0 | 0 | 0 | 105.7 | Y223 P227 | Y223-L225 PolarHBondContact O-N 3.44Å; L225-P227 VanDerWaalsContact O-CD 3.27Å; L225-P227 WeakPolarHBondContact O-CD 3.44Å | ||
| 226 | E | 41.5 | Very low | 50.7 | Low | 139 Ų | 139 | 142.2 Ų | 142.2 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | trans | -66.5 | 116.1 | 162.9 | -76.7 | -64.6 | 150.2 | 0 | 0 | 105.4 | K224 T228 | K224-E226 PolarHBondContact O-N 3Å; E226-T228 PolarHBondContact O-N 2.88Å | ||
| 227 | P | 45.4 | Very low | 48.8 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | trans | -67.8 | 90.4 | 177.9 | 26.6 | -29.8 | 0 | 0 | 0 | 107.6 | L225 K229 | L225-P227 VanDerWaalsContact O-CD 3.27Å; L225-P227 WeakPolarHBondContact O-CD 3.44Å; P227-K229 PolarHBondContact O-N 3.39Å | ||
| 228 | T | 39.5 | Very low | 46.7 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -64.5 | 111.5 | 170.4 | 40.6 | 0 | 0 | 0 | 0 | 106.8 | E226 S230 | E226-T228 PolarHBondContact O-N 2.88Å; T228-S230 PolarHBondContact O-N 3.21Å | ||
| 229 | K | 41.3 | Very low | 45.6 | Very low | 195 Ų | 195 | 149.8 Ų | 149.8 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | trans | -48.9 | 113.6 | 179 | -64.2 | 173.3 | -178.8 | 176.3 | 0 | 108.3 | P227 T231 | P227-K229 PolarHBondContact O-N 3.39Å; K229-T231 PolarHBondContact O-N 3.09Å | ||
| 230 | S | 42.6 | Very low | 44.7 | Very low | 106 Ų | 106 | 154.4 Ų | 154.4 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | trans | -53 | 106.2 | 172.1 | 175 | 0 | 0 | 0 | 0 | 108.3 | T228 R232 | T228-S230 PolarHBondContact O-N 3.21Å; S230-R232 PolarHBondContact O-N 2.99Å; S230-R232 VanDerWaalsContact O-N 3.1Å | ||
| 231 | T | 38.7 | Very low | 43.9 | Very low | 132 Ų | 132 | 155.6 Ų | 155.6 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -70.9 | 104.9 | 170.4 | -63.3 | 0 | 0 | 0 | 0 | 105.6 | K229 P233 | K229-T231 PolarHBondContact O-N 3.09Å; T231-P233 WeakPolarHBondContact O-CD 3.41Å | ||
| 232 | R | 43.6 | Very low | 43.2 | Very low | 212 Ų | 212 | 156.9 Ų | 156.9 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 122.4 | -179.4 | -72.6 | -179.7 | 177 | -174.5 | -0.2 | 110.1 | S230 | S230-R232 PolarHBondContact O-N 2.99Å; S230-R232 VanDerWaalsContact O-N 3.1Å |
| 233 | P | 44.9 | Very low | 43 | Very low | 117 Ų | 117 | 154.8 Ų | 154.8 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 131.6 | 152.8 | 28.1 | -28.4 | 0 | 0 | 0 | 107.9 | T231 | T231-P233 WeakPolarHBondContact O-CD 3.41Š|
| 234 | F | 42.7 | Very low | 42.9 | Very low | 196 Ų | 196 | 151.2 Ų | 151.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 138.6 | 176.8 | -86.8 | -99.7 | 0 | 0 | 0 | 111 | C236 | F234-C236 PolarHBondContact O-N 3.27Š|
| 235 | T | 39.6 | Very low | 43.8 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | -63.8 | 93.7 | 178.6 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 236 | C | 38.6 | Very low | 44.9 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -80.9 | 120.5 | 155.5 | -73.3 | 0 | 0 | 0 | 0 | 107 | F234 L238 | F234-C236 PolarHBondContact O-N 3.27Å; C236-L238 PolarHBondContact O-N 2.7Å; C236-L238 VanDerWaalsContact O-N 3.16Å | ||
| 237 | K | 42.2 | Very low | 46 | Very low | 204 Ų | 204 | 149.3 Ų | 149.3 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -58.9 | 119.1 | 179.1 | -64.1 | -157 | 177.3 | -174.1 | 0 | 108.4 | D239 | K237-D239 VanDerWaalsContact C-N 3.29Å; K237-D239 PolarHBondContact O-N 2.94Å | ||
| 238 | L | 38.7 | Very low | 47.3 | Very low | 174 Ų | 174 | 153.2 Ų | 153.2 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -74.7 | 87.9 | 176.8 | -164.3 | 75 | 0 | 0 | 0 | 107.1 | C236 | C236-L238 PolarHBondContact O-N 2.7Å; C236-L238 VanDerWaalsContact O-N 3.16Å | ||
| 239 | D | 43.8 | Very low | 49.1 | Very low | 110 Ų | 110 | 151.1 Ų | 151.1 | 59% | 0.588 | 77% | 0.772 | S | S | * | * | trans | -72.3 | 143 | 168.7 | -159.4 | 1.9 | 0 | 0 | 0 | 109.3 | K237 F241 | K237-D239 VanDerWaalsContact C-N 3.29Å; K237-D239 PolarHBondContact O-N 2.94Å; D239-F241 HydrophobicContact CB-CD2 4.04Å; D239-F241 HydrophobicContact CB-CE2 3.95Å; D239-F241 PolarHBondContact O-N 2.95Å; D239-F241 VanDerWaalsContact OD2-CE2 3.3Å; D239-F241 WeakPolarHBondContact OD2-CE2 3.34Å | ||
| 240 | K | 46.8 | Very low | 51 | Low | 201 Ų | 201 | 144.9 Ų | 144.9 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -76.5 | 49.8 | -160.5 | -58.1 | 178.6 | -175.2 | -176.8 | 0 | 113.5 | ||||
| 241 | F | 46.6 | Very low | 52.9 | Low | 167 Ų | 167 | 147.6 Ų | 147.6 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | -86.5 | 119.4 | 177.4 | -68.6 | -75.2 | 0 | 0 | 0 | 110.8 | D239 S243 | D239-F241 HydrophobicContact CB-CD2 4.04Å; D239-F241 HydrophobicContact CB-CE2 3.95Å; D239-F241 PolarHBondContact O-N 2.95Å; D239-F241 VanDerWaalsContact OD2-CE2 3.3Å; D239-F241 WeakPolarHBondContact OD2-CE2 3.34Å; F241-S243 PolarHBondContact O-N 3.28Å | ||
| 242 | Q | 47 | Very low | 54.7 | Low | 180 Ų | 180 | 149 Ų | 149 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | trans | -27.6 | 128.1 | 163.4 | -89.2 | 165 | -21 | 0 | 0 | 110.9 | C244 | Q242-C244 VanDerWaalsContact C-N 3.34Å; Q242-C244 PolarHBondContact O-N 3.39Å | ||
| 243 | S | 48.9 | Very low | 56.3 | Low | 104 Ų | 104 | 146.7 Ų | 146.7 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -47.8 | 97.7 | 177.4 | 47.1 | 0 | 0 | 0 | 0 | 109.9 | F241 K245 | F241-S243 PolarHBondContact O-N 3.28Å; S243-K245 VanDerWaalsContact C-N 3.31Å; S243-K245 PolarHBondContact O-N 2.95Å | ||
| 244 | C | 46.2 | Very low | 57.9 | Low | 105 Ų | 105 | 147.4 Ų | 147.4 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | trans | -59.4 | 105.4 | 166.3 | -80.9 | 0 | 0 | 0 | 0 | 104.9 | Q242 I246 | Q242-C244 VanDerWaalsContact C-N 3.34Å; Q242-C244 PolarHBondContact O-N 3.39Å; C244-I246 HydrophobicContact CB-CG1 4.11Å; C244-I246 PolarHBondContact O-N 3.46Å | ||
| 245 | K | 61.6 | Low | 59.8 | Low | 192 Ų | 192 | 145.5 Ų | 145.5 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | trans | -66.8 | 75.5 | 169.5 | -66.4 | 178.6 | -177.1 | 176.1 | 0 | 106.5 | S243 S247 | S243-K245 VanDerWaalsContact C-N 3.31Å; S243-K245 PolarHBondContact O-N 2.95Å; K245-S247 VanDerWaalsContact C-N 3.35Å; K245-S247 PolarHBondContact O-N 2.92Å | ||
| 246 | I | 63.4 | Low | 61.8 | Low | 145 Ų | 145 | 144.9 Ų | 144.9 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | trans | -65.2 | 105 | 173.6 | -60.5 | 161.3 | 0 | 0 | 0 | 104.2 | C244 Y248 | C244-I246 HydrophobicContact CB-CG1 4.11Å; C244-I246 PolarHBondContact O-N 3.46Å; I246-Y248 PolarHBondContact O-N 3.4Å | ||
| 247 | S | 64.9 | Low | 63.8 | Low | 99 Ų | 99 | 146.4 Ų | 146.4 | 69% | 0.692 | 70% | 0.697 | S | S | * | * | trans | -63.5 | 107.2 | 173.4 | -60.9 | 0 | 0 | 0 | 0 | 105.9 | K245 D249 | K245-S247 VanDerWaalsContact C-N 3.35Å; K245-S247 PolarHBondContact O-N 2.92Å; S247-D249 PolarHBondContact O-N 2.99Å; S247-D249 VanDerWaalsContact O-N 3.07Å | ||
| 248 | Y | 70.9 | Confident | 65.8 | Low | 192 Ų | 192 | 139 Ų | 139 | 75% | 0.753 | 67% | 0.67 | S | S | * | * | trans | -68.3 | 106.4 | 172.4 | 50.7 | -88 | 0 | 0 | 0 | 106.9 | I246 T250 | I246-Y248 PolarHBondContact O-N 3.4Å; Y248-T250 HydrophobicContact CD2-CG2 4.36Å | ||
| 249 | D | 77.4 | Confident | 67.9 | Low | 88 Ų | 88 | 135.8 Ų | 135.8 | 47% | 0.471 | 65% | 0.649 | S | S | . | * | trans | -85.9 | 125.7 | 168.2 | -144.8 | -7.7 | 0 | 0 | 0 | 107.2 | S247 R253 H254 | S247-D249 PolarHBondContact O-N 2.99Å; S247-D249 VanDerWaalsContact O-N 3.07Å; D249-R253 WeakPolarHBondContact OD1-CB 3.31Å; D249-R253 VanDerWaalsContact OD1-CD 3.24Å; D249-R253 WeakPolarHBondContact OD1-CD 3.4Å; D249-R253 WeakPolarHBondContact OD1-CG 3.4Å; D249-H254 IonicContact OD1-CE1 3.94Å; D249-H254 IonicContact OD2-CE1 2.96Å; D249-H254 PolarHBondContact OD2-CE1 3.25Å; D249-H254 IonicContact OD2-ND1 3.7Å; D249-H254 IonicContact OD2-NE2 3.52Å | ||
| 250 | T | 81.3 | Confident | 69.8 | Low | 64 Ų | 64 | 137 Ų | 137 | 39% | 0.393 | 65% | 0.649 | S | S | . | * | trans | -100 | 151 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 108.8 | Y248 Y252 R253 H254 | Y248-T250 HydrophobicContact CD2-CG2 4.36Å; T250-Y252 PolarHBondContact O-N 3.26Å; T250-Y252 VanDerWaalsContact O-N 3.14Å; T250-R253 WeakPolarHBondContact O-CA 3.48Å; T250-R253 WeakPolarHBondContact O-CB 3.49Å; T250-R253 PolarHBondContact O-N 3.07Å; T250-R253 PolarHBondContact OG1-N 3.49Å; T250-H254 PolarHBondContact O-CD2 3.39Å; T250-H254 PolarHBondContact O-N 3.03Å; T250-H254 VanDerWaalsContact O-N 3.15Å | ||
| 251 | E | 82.3 | Confident | 71.6 | Confident | 162 Ų | 162 | 133.5 Ų | 133.5 | 76% | 0.757 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -51.5 | -38.5 | 172.8 | -65.4 | 177.1 | 175.7 | 0 | 0 | 111.5 | R253 H254 E255 | E251-R253 VanDerWaalsContact C-N 3.32Å; E251-R253 PolarHBondContact O-N 3.23Å; E251-H254 WeakPolarHBondContact O-CB 3.41Å; E251-H254 PolarHBondContact O-N 3.22Å; E251-H254 VanDerWaalsContact O-N 3.15Å; E251-E255 PolarHBondContact O-N 2.76Å |
| 252 | Y | 77.2 | Confident | 73.2 | Confident | 163 Ų | 163 | 126 Ų | 126 | 64% | 0.639 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -58 | -40.4 | 172.9 | -179.9 | -98.2 | 0 | 0 | 0 | 113.4 | T250 H254 E255 Y256 | T250-Y252 PolarHBondContact O-N 3.26Å; T250-Y252 VanDerWaalsContact O-N 3.14Å; Y252-H254 VanDerWaalsContact C-N 3.32Å; Y252-E255 PolarHBondContact O-N 2.86Å; Y252-Y256 HydrophobicContact CE1-CD2 4.31Å; Y252-Y256 HydrophobicContact CE1-CG 4.42Å; Y252-Y256 AromaticContact CZ-CD2 3.97Å; Y252-Y256 WeakPolarHBondContact O-CB 3.33Å; Y252-Y256 PolarHBondContact O-N 3.45Å |
| 253 | R | 77.7 | Confident | 75 | Confident | 162 Ų | 162 | 119.4 Ų | 119.4 | 61% | 0.611 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71 | -29.1 | 178.5 | -171.6 | 170.2 | -179.1 | -178 | 0.9 | 112 | D249 T250 E251 | D249-R253 WeakPolarHBondContact OD1-CB 3.31Å; D249-R253 VanDerWaalsContact OD1-CD 3.24Å; D249-R253 WeakPolarHBondContact OD1-CD 3.4Å; D249-R253 WeakPolarHBondContact OD1-CG 3.4Å; T250-R253 WeakPolarHBondContact O-CA 3.48Å; T250-R253 WeakPolarHBondContact O-CB 3.49Å; T250-R253 PolarHBondContact O-N 3.07Å; T250-R253 PolarHBondContact OG1-N 3.49Å; E251-R253 VanDerWaalsContact C-N 3.32Å; E251-R253 PolarHBondContact O-N 3.23Å |
| 254 | H | 78.5 | Confident | 76.5 | Confident | 133 Ų | 133 | 117.6 Ų | 117.6 | 62% | 0.616 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.8 | -35.2 | 171.1 | -68.4 | -58.2 | 0 | 0 | 0 | 113.1 | D249 T250 E251 Y252 | D249-H254 IonicContact OD1-CE1 3.94Å; D249-H254 IonicContact OD2-CE1 2.96Å; D249-H254 PolarHBondContact OD2-CE1 3.25Å; D249-H254 IonicContact OD2-ND1 3.7Å; D249-H254 IonicContact OD2-NE2 3.52Å; T250-H254 PolarHBondContact O-CD2 3.39Å; T250-H254 PolarHBondContact O-N 3.03Å; T250-H254 VanDerWaalsContact O-N 3.15Å; E251-H254 WeakPolarHBondContact O-CB 3.41Å; E251-H254 PolarHBondContact O-N 3.22Å; E251-H254 VanDerWaalsContact O-N 3.15Å; Y252-H254 VanDerWaalsContact C-N 3.32Å |
| 255 | E | 81.5 | Confident | 77.9 | Confident | 156 Ų | 156 | 116.1 Ų | 116.1 | 73% | 0.729 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -89.5 | -22.6 | -178.2 | -66.9 | -176.2 | -177.5 | 0 | 0 | 113.9 | E251 Y252 K257 | E251-E255 PolarHBondContact O-N 2.76Å; Y252-E255 PolarHBondContact O-N 2.86Å; E255-K257 PolarHBondContact O-N 3.15Å; E255-K257 VanDerWaalsContact O-N 3.07Å |
| 256 | Y | 83.2 | Confident | 78.6 | Confident | 122 Ų | 122 | 112.3 Ų | 112.3 | 48% | 0.478 | 52% | 0.524 | S | S | . | . | trans | -68.4 | 108.6 | -176.1 | 179.9 | -100.9 | 0 | 0 | 0 | 111.8 | Y252 P258 | Y252-Y256 HydrophobicContact CE1-CD2 4.31Å; Y252-Y256 HydrophobicContact CE1-CG 4.42Å; Y252-Y256 AromaticContact CZ-CD2 3.97Å; Y252-Y256 WeakPolarHBondContact O-CB 3.33Å; Y252-Y256 PolarHBondContact O-N 3.45Å; Y256-P258 HydrophobicContact CE1-CB 3.99Å | ||
| 257 | K | 80.3 | Confident | 78.9 | Confident | 151 Ų | 151 | 108.3 Ų | 108.3 | 66% | 0.657 | 50% | 0.503 | S | S | * | . | trans | -97.6 | 110 | 169.2 | -63.7 | -173.5 | -178.6 | -173.8 | 0 | 109.7 | E255 | E255-K257 PolarHBondContact O-N 3.15Å; E255-K257 VanDerWaalsContact O-N 3.07Å | ||
| 258 | P | 82.6 | Confident | 79 | Confident | 48 Ų | 48 | 112.1 Ų | 112.1 | 31% | 0.312 | 51% | 0.507 | S | S | . | . | trans | -59.8 | 143.6 | 174.1 | 24.2 | -33.2 | 0 | 0 | 0 | 110.4 | Y256 D277 V278 H279 | Y256-P258 HydrophobicContact CE1-CB 3.99Å; P258-D277 WeakPolarHBondContact CD-O 2.98Å; P258-D277 WeakPolarHBondContact CG-O 3.45Å; P258-V278 HydrophobicContact CG-CG2 4.15Å; P258-V278 CarbonylContact O-C 3.59Å; P258-V278 VanDerWaalsContact O-CA 3.28Å; P258-V278 WeakPolarHBondContact O-CA 3.5Å; P258-V278 WeakPolarHBondContact O-CG1 3.41Å; P258-H279 PolarHBondContact O-N 2.71Å | ||
| 259 | F | 84.1 | Confident | 78.8 | Confident | 108 Ų | 108 | 105.8 Ų | 105.8 | 47% | 0.474 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 147.1 | 175.6 | 58.6 | -92.4 | 0 | 0 | 0 | 112.4 | Y261 H279 I281 | F259-Y261 AromaticContact CD2-CE2 3.95Å; F259-Y261 HydrophobicContact CD2-CE2 3.95Å; F259-Y261 AromaticContact CE2-CE2 3.64Å; F259-Y261 HydrophobicContact CE2-CE2 3.64Å; F259-Y261 AromaticContact CE2-CZ 3.82Å; F259-H279 CarbonylContact C-O 3.58Å; F259-H279 WeakPolarHBondContact CA-O 3.35Å; F259-H279 HydrophobicContact CB-CB 4.08Å; F259-H279 WeakPolarHBondContact CB-O 3.43Å; F259-I281 HydrophobicContact CB-CD1 4.16Å; F259-I281 HydrophobicContact CB-CG1 4.43Å; F259-I281 HydrophobicContact CD2-CD1 3.76Å; F259-I281 HydrophobicContact CE2-CD1 4.48Å; F259-I281 HydrophobicContact CG-CD1 4.1Å |
| 260 | K | 82.5 | Confident | 77.8 | Confident | 134 Ų | 134 | 107.8 Ų | 107.8 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 129.9 | -179.4 | -170.7 | 177.3 | -179.2 | -177.4 | 0 | 110.5 | V262 V278 H279 I280 I281 | K260-V262 HydrophobicContact CD-CG2 4.38Å; K260-V262 HydrophobicContact CG-CG2 4.19Å; K260-V278 HydrophobicContact CB-CG1 3.8Å; K260-H279 PolarHBondContact N-O 2.98Å; K260-I280 CarbonylContact O-C 3.53Å; K260-I280 WeakPolarHBondContact O-CA 3.14Å; K260-I281 PolarHBondContact O-N 2.92Å |
| 261 | Y | 84.9 | Confident | 76.8 | Confident | 128 Ų | 128 | 112.7 Ų | 112.7 | 50% | 0.502 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121.6 | 174.5 | -65.5 | -77.8 | 0 | 0 | 0 | 110.6 | F259 I281 L283 | F259-Y261 AromaticContact CD2-CE2 3.95Å; F259-Y261 HydrophobicContact CD2-CE2 3.95Å; F259-Y261 AromaticContact CE2-CE2 3.64Å; F259-Y261 HydrophobicContact CE2-CE2 3.64Å; F259-Y261 AromaticContact CE2-CZ 3.82Å; Y261-I281 WeakPolarHBondContact CA-O 3.46Å; Y261-I281 HydrophobicContact CD1-CB 3.83Å; Y261-I281 HydrophobicContact CD1-CD1 4.43Å; Y261-I281 HydrophobicContact CD1-CG2 3.9Å; Y261-I281 HydrophobicContact CE1-CB 4Å; Y261-I281 HydrophobicContact CE1-CD1 3.82Å; Y261-I281 HydrophobicContact CE1-CG2 3.87Å; Y261-L283 HydrophobicContact CD1-CD1 4.26Å; Y261-L283 HydrophobicContact CD1-CD2 3.78Å; Y261-L283 HydrophobicContact CD1-CG 3.98Å; Y261-L283 HydrophobicContact CE1-CD2 4.44Å; Y261-L283 HydrophobicContact CG-CD1 4.23Å; Y261-L283 HydrophobicContact CG-CG 4.38Å |
| 262 | V | 81.3 | Confident | 75.8 | Confident | 11 Ų | 11 | 107.1 Ų | 107.1 | 7% | 0.067 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 127.3 | -179.6 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | K260 Q266 L267 I280 I281 P282 L283 | K260-V262 HydrophobicContact CD-CG2 4.38Å; K260-V262 HydrophobicContact CG-CG2 4.19Å; V262-Q266 HydrophobicContact CG1-CB 4.01Å; V262-L267 HydrophobicContact CB-CD2 4.03Å; V262-L267 HydrophobicContact CB-CG 4.44Å; V262-L267 HydrophobicContact CG1-CD2 3.8Å; V262-L267 HydrophobicContact CG1-CG 4.01Å; V262-I280 HydrophobicContact CB-CG2 3.83Å; V262-I280 HydrophobicContact CG2-CG2 3.66Å; V262-I281 PolarHBondContact N-O 3.49Å; V262-P282 WeakPolarHBondContact O-CA 3.47Å; V262-L283 PolarHBondContact O-N 3.38Å |
| 263 | P | 83.2 | Confident | 75 | Confident | 41 Ų | 41 | 105.5 Ų | 105.5 | 27% | 0.266 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 138.7 | 173.5 | -23.6 | 34 | 0 | 0 | 0 | 112 | D265 Q266 L267 | P263-D265 PolarHBondContact O-N 3.3Å; P263-D265 VanDerWaalsContact O-N 3.09Å; P263-Q266 PolarHBondContact O-N 2.9Å; P263-L267 PolarHBondContact O-N 3.38Å |
| 264 | I | 80.8 | Confident | 74.2 | Confident | 65 Ų | 65 | 106 Ų | 106 | 33% | 0.333 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -54.7 | -34.5 | -176.3 | -63.5 | 167.6 | 0 | 0 | 0 | 112.9 | Q266 L267 P282 L283 K284 | I264-Q266 PolarHBondContact O-N 3.39Å; I264-L267 WeakPolarHBondContact O-CB 3.29Å; I264-L267 PolarHBondContact O-N 2.92Å; I264-L267 VanDerWaalsContact O-N 3.08Å; I264-P282 HydrophobicContact CG1-CB 4.03Å; I264-L283 WeakPolarHBondContact CG1-O 3.36Å; I264-L283 PolarHBondContact N-O 2.99Å; I264-L283 VanDerWaalsContact N-O 3.13Å; I264-K284 HydrophobicContact CD1-CB 3.99Å; I264-K284 HydrophobicContact CD1-CG 4.33Å |
| 265 | D | 76.9 | Confident | 73.6 | Confident | 75 Ų | 75 | 104.3 Ų | 104.3 | 40% | 0.401 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -30.9 | -179.3 | -50.8 | -26.5 | 0 | 0 | 0 | 112.2 | P263 R285 | P263-D265 PolarHBondContact O-N 3.3Å; P263-D265 VanDerWaalsContact O-N 3.09Å; D265-R285 IonicContact OD2-CZ 2.77Å; D265-R285 IonicContact OD2-NH1 3.37Å; D265-R285 PolarHBondContact OD2-NH1 2.88Å |
| 266 | Q | 74.8 | Confident | 72.9 | Confident | 112 Ų | 112 | 106.6 Ų | 106.6 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -85.2 | -15.9 | 177.6 | -64.8 | 179.7 | -1.3 | 0 | 0 | 112.5 | V262 P263 I264 K268 S269 V272 | V262-Q266 HydrophobicContact CG1-CB 4.01Å; P263-Q266 PolarHBondContact O-N 2.9Å; I264-Q266 PolarHBondContact O-N 3.39Å; Q266-K268 VanDerWaalsContact C-N 3.26Å; Q266-K268 PolarHBondContact O-N 3.44Å; Q266-S269 PolarHBondContact O-OG 2.95Å; Q266-V272 WeakPolarHBondContact O-CG2 3.37Å |
| 267 | L | 70.3 | Confident | 72.4 | Confident | 60 Ų | 60 | 107 Ų | 107 | 31% | 0.314 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73 | -20.9 | 175.3 | -67.4 | 171.7 | 0 | 0 | 0 | 112.6 | V262 P263 I264 V272 I280 P282 | V262-L267 HydrophobicContact CB-CD2 4.03Å; V262-L267 HydrophobicContact CB-CG 4.44Å; V262-L267 HydrophobicContact CG1-CD2 3.8Å; V262-L267 HydrophobicContact CG1-CG 4.01Å; P263-L267 PolarHBondContact O-N 3.38Å; I264-L267 WeakPolarHBondContact O-CB 3.29Å; I264-L267 PolarHBondContact O-N 2.92Å; I264-L267 VanDerWaalsContact O-N 3.08Å; L267-V272 HydrophobicContact CD2-CG1 4.48Å; L267-I280 HydrophobicContact CD2-CG2 3.86Å; L267-P282 HydrophobicContact CD1-CB 3.68Å; L267-P282 HydrophobicContact CD1-CG 3.87Å |
| 268 | K | 68 | Low | 72.3 | Confident | 179 Ų | 179 | 102 Ų | 102 | 78% | 0.778 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -87.4 | -21.9 | -179.8 | -65.7 | -175.1 | -179.2 | -179.8 | 0 | 113.7 | Q266 S270 | Q266-K268 VanDerWaalsContact C-N 3.26Å; Q266-K268 PolarHBondContact O-N 3.44Å; K268-S270 PolarHBondContact O-N 2.9Å |
| 269 | S | 65.7 | Low | 72.1 | Confident | 60 Ų | 60 | 105.6 Ų | 105.6 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -68.5 | 122.8 | 168.9 | 44.7 | 0 | 0 | 0 | 0 | 107.7 | Q266 E271 V272 | Q266-S269 PolarHBondContact O-OG 2.95Å; S269-E271 PolarHBondContact O-N 3.39Å; S269-V272 PolarHBondContact O-N 3.2Å |
| 270 | S | 56.9 | Low | 72 | Confident | 130 Ų | 130 | 102.8 Ų | 102.8 | 91% | 0.909 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 9.3 | -177.8 | 43 | 0 | 0 | 0 | 0 | 115.8 | K268 | K268-S270 PolarHBondContact O-N 2.9Š|
| 271 | E | 60.4 | Low | 72 | Confident | 166 Ų | 166 | 99.3 Ų | 99.3 | 78% | 0.776 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 3 | 179.9 | -71.3 | -178.1 | 177.6 | 0 | 0 | 113.9 | S269 I273 | S269-E271 PolarHBondContact O-N 3.39Å; E271-I273 PolarHBondContact O-N 3.19Å |
| 272 | V | 60.9 | Low | 71.9 | Confident | 46 Ų | 46 | 97 Ų | 97 | 28% | 0.279 | 50% | 0.503 | S | S | . | . | trans | -72.7 | 86.5 | 166 | -174.9 | 0 | 0 | 0 | 0 | 107.6 | Q266 L267 S269 E274 I280 | Q266-V272 WeakPolarHBondContact O-CG2 3.37Å; L267-V272 HydrophobicContact CD2-CG1 4.48Å; S269-V272 PolarHBondContact O-N 3.2Å; V272-E274 PolarHBondContact O-N 3.42Å; V272-I280 HydrophobicContact CG1-CD1 3.62Å | ||
| 273 | I | 60.5 | Low | 71.9 | Confident | 129 Ų | 129 | 100.4 Ų | 100.4 | 66% | 0.662 | 52% | 0.52 | S | S | * | . | trans | -53.1 | 109.8 | 169.7 | -60 | 162.2 | 0 | 0 | 0 | 105.9 | E271 N275 | E271-I273 PolarHBondContact O-N 3.19Å; I273-N275 VanDerWaalsContact CG2-OD1 3.31Å; I273-N275 WeakPolarHBondContact CG2-OD1 3.37Å; I273-N275 PolarHBondContact O-N 2.89Å | ||
| 274 | E | 60.9 | Low | 71.9 | Confident | 172 Ų | 172 | 106.8 Ų | 106.8 | 80% | 0.804 | 54% | 0.544 | S | S | * | . | trans | -65.6 | 80 | 174.5 | -68.5 | -174.7 | 170.9 | 0 | 0 | 108.5 | V272 K276 | V272-E274 PolarHBondContact O-N 3.42Å; E274-K276 PolarHBondContact O-N 2.99Å | ||
| 275 | N | 64.9 | Low | 71.7 | Confident | 97 Ų | 97 | 109.4 Ų | 109.4 | 52% | 0.519 | 55% | 0.55 | S | S | . | . | trans | -68.2 | 104 | 169.6 | -69.9 | -27.3 | 0 | 0 | 0 | 106.9 | I273 D277 V278 | I273-N275 VanDerWaalsContact CG2-OD1 3.31Å; I273-N275 WeakPolarHBondContact CG2-OD1 3.37Å; I273-N275 PolarHBondContact O-N 2.89Å; N275-D277 PolarHBondContact O-N 3.35Å; N275-V278 HydrophobicContact CB-CG2 4.43Å; N275-V278 PolarHBondContact O-N 3.14Å | ||
| 276 | K | 68 | Low | 71.7 | Confident | 205 Ų | 205 | 109.7 Ų | 109.7 | 89% | 0.891 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -19.3 | -177.1 | -64.3 | 179 | -178.9 | 179 | 0 | 113.7 | E274 | E274-K276 PolarHBondContact O-N 2.99Š|
| 277 | D | 72.8 | Confident | 71.4 | Confident | 130 Ų | 130 | 109.3 Ų | 109.3 | 70% | 0.695 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -12.7 | -177.7 | -54.3 | -30.4 | 0 | 0 | 0 | 113.8 | P258 N275 | P258-D277 WeakPolarHBondContact CD-O 2.98Å; P258-D277 WeakPolarHBondContact CG-O 3.45Å; N275-D277 PolarHBondContact O-N 3.35Å |
| 278 | V | 77.9 | Confident | 71.6 | Confident | 46 Ų | 46 | 112 Ų | 112 | 28% | 0.279 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -116.2 | 117.9 | -177.1 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | P258 K260 N275 I280 | P258-V278 HydrophobicContact CG-CG2 4.15Å; P258-V278 CarbonylContact O-C 3.59Å; P258-V278 VanDerWaalsContact O-CA 3.28Å; P258-V278 WeakPolarHBondContact O-CA 3.5Å; P258-V278 WeakPolarHBondContact O-CG1 3.41Å; K260-V278 HydrophobicContact CB-CG1 3.8Å; N275-V278 HydrophobicContact CB-CG2 4.43Å; N275-V278 PolarHBondContact O-N 3.14Å; V278-I280 PolarHBondContact O-N 3.38Å |
| 279 | H | 79.1 | Confident | 71.5 | Confident | 123 Ų | 123 | 105.6 Ų | 105.6 | 57% | 0.569 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.3 | 112 | 176.9 | -148.2 | -63.9 | 0 | 0 | 0 | 110.4 | P258 F259 K260 | P258-H279 PolarHBondContact O-N 2.71Å; F259-H279 CarbonylContact C-O 3.58Å; F259-H279 WeakPolarHBondContact CA-O 3.35Å; F259-H279 HydrophobicContact CB-CB 4.08Å; F259-H279 WeakPolarHBondContact CB-O 3.43Å; K260-H279 PolarHBondContact N-O 2.98Å |
| 280 | I | 81.5 | Confident | 71.5 | Confident | 50 Ų | 50 | 110 Ų | 110 | 26% | 0.256 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 126 | -179.6 | -59 | 175.4 | 0 | 0 | 0 | 109.6 | K260 V262 L267 V272 V278 | K260-I280 CarbonylContact O-C 3.53Å; K260-I280 WeakPolarHBondContact O-CA 3.14Å; V262-I280 HydrophobicContact CB-CG2 3.83Å; V262-I280 HydrophobicContact CG2-CG2 3.66Å; L267-I280 HydrophobicContact CD2-CG2 3.86Å; V272-I280 HydrophobicContact CG1-CD1 3.62Å; V278-I280 PolarHBondContact O-N 3.38Å |
| 281 | I | 81.4 | Confident | 71.1 | Confident | 61 Ų | 61 | 106 Ų | 106 | 31% | 0.313 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.5 | 174.7 | -58.1 | 176 | 0 | 0 | 0 | 108.7 | F259 K260 Y261 V262 L283 | F259-I281 HydrophobicContact CB-CD1 4.16Å; F259-I281 HydrophobicContact CB-CG1 4.43Å; F259-I281 HydrophobicContact CD2-CD1 3.76Å; F259-I281 HydrophobicContact CE2-CD1 4.48Å; F259-I281 HydrophobicContact CG-CD1 4.1Å; K260-I281 PolarHBondContact O-N 2.92Å; Y261-I281 WeakPolarHBondContact CA-O 3.46Å; Y261-I281 HydrophobicContact CD1-CB 3.83Å; Y261-I281 HydrophobicContact CD1-CD1 4.43Å; Y261-I281 HydrophobicContact CD1-CG2 3.9Å; Y261-I281 HydrophobicContact CE1-CB 4Å; Y261-I281 HydrophobicContact CE1-CD1 3.82Å; Y261-I281 HydrophobicContact CE1-CG2 3.87Å; V262-I281 PolarHBondContact N-O 3.49Å; I281-L283 PolarHBondContact O-N 2.9Å |
| 282 | P | 84.1 | Confident | 70.9 | Confident | 78 Ų | 78 | 106 Ų | 106 | 51% | 0.506 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.2 | 128.1 | 177.6 | -20.5 | 32.6 | 0 | 0 | 0 | 112.6 | V262 I264 L267 | V262-P282 WeakPolarHBondContact O-CA 3.47Å; I264-P282 HydrophobicContact CG1-CB 4.03Å; L267-P282 HydrophobicContact CD1-CB 3.68Å; L267-P282 HydrophobicContact CD1-CG 3.87Å |
| 283 | L | 81.5 | Confident | 70.2 | Confident | 83 Ų | 83 | 115 Ų | 115 | 44% | 0.435 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102 | 121 | 172.1 | -72 | -176.9 | 0 | 0 | 0 | 111.6 | Y261 V262 I264 I281 | Y261-L283 HydrophobicContact CD1-CD1 4.26Å; Y261-L283 HydrophobicContact CD1-CD2 3.78Å; Y261-L283 HydrophobicContact CD1-CG 3.98Å; Y261-L283 HydrophobicContact CE1-CD2 4.44Å; Y261-L283 HydrophobicContact CG-CD1 4.23Å; Y261-L283 HydrophobicContact CG-CG 4.38Å; V262-L283 PolarHBondContact O-N 3.38Å; I264-L283 WeakPolarHBondContact CG1-O 3.36Å; I264-L283 PolarHBondContact N-O 2.99Å; I264-L283 VanDerWaalsContact N-O 3.13Å; I281-L283 PolarHBondContact O-N 2.9Å |
| 284 | K | 82.7 | Confident | 69.3 | Low | 176 Ų | 176 | 118 Ų | 118 | 77% | 0.765 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -75 | 125.9 | 172.4 | -170.3 | 175.6 | -178.6 | 178 | 0 | 110.3 | I264 | I264-K284 HydrophobicContact CD1-CB 3.99Å; I264-K284 HydrophobicContact CD1-CG 4.33Å |
| 285 | R | 76 | Confident | 68.5 | Low | 120 Ų | 120 | 116.9 Ų | 116.9 | 45% | 0.453 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 135.2 | 173.9 | -126.9 | -176.7 | -171.8 | 124.3 | -0 | 110 | D265 A289 | D265-R285 IonicContact OD2-CZ 2.77Å; D265-R285 IonicContact OD2-NH1 3.37Å; D265-R285 PolarHBondContact OD2-NH1 2.88Å; R285-A289 HydrophobicContact CG-CB 4Å |
| 286 | P | 76.8 | Confident | 67.1 | Low | 81 Ų | 81 | 118.2 Ų | 118.2 | 53% | 0.526 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 145.2 | 172.4 | 26.1 | -33.2 | 0 | 0 | 0 | 110.4 | S288 A289 | P286-S288 PolarHBondContact O-N 3.29Å; P286-A289 HydrophobicContact CG-CB 4.23Å; P286-A289 WeakPolarHBondContact O-CB 3.42Å; P286-A289 PolarHBondContact O-N 2.92Å |
| 287 | S | 68.7 | Low | 65.6 | Low | 104 Ų | 104 | 117.1 Ų | 117.1 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -57.8 | -23.2 | -175.6 | -170.9 | 0 | 0 | 0 | 0 | 114.1 | A289 | S287-A289 VanDerWaalsContact C-N 3.27Å; S287-A289 PolarHBondContact O-N 3.39Å |
| 288 | S | 73.9 | Confident | 63.9 | Low | 115 Ų | 115 | 117.7 Ų | 117.7 | 80% | 0.804 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -73.5 | -15.1 | 177 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | P286 | P286-S288 PolarHBondContact O-N 3.29Š|
| 289 | A | 67.7 | Low | 61.9 | Low | 46 Ų | 46 | 123.5 Ų | 123.5 | 38% | 0.38 | 64% | 0.643 | S | S | . | * | G | 310 helix | trans | -87.5 | -9.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | R285 P286 S287 G291 | R285-A289 HydrophobicContact CG-CB 4Å; P286-A289 HydrophobicContact CG-CB 4.23Å; P286-A289 WeakPolarHBondContact O-CB 3.42Å; P286-A289 PolarHBondContact O-N 2.92Å; S287-A289 VanDerWaalsContact C-N 3.27Å; S287-A289 PolarHBondContact O-N 3.39Å; A289-G291 PolarHBondContact O-N 3.45Å |
| 290 | Y | 64.6 | Low | 59.9 | Low | 153 Ų | 153 | 124.3 Ų | 124.3 | 60% | 0.6 | 65% | 0.651 | S | S | * | * | trans | -71.7 | 79.2 | 170.5 | -64.2 | -76.3 | 0 | 0 | 0 | 109.5 | I292 | Y290-I292 PolarHBondContact O-N 3.14Š| ||
| 291 | G | 49.7 | Very low | 57.7 | Low | 44 Ų | 44 | 128.7 Ų | 128.7 | 45% | 0.454 | 68% | 0.675 | S | S | . | * | trans | -82.3 | 101.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A289 R293 | A289-G291 PolarHBondContact O-N 3.45Å; G291-R293 WeakPolarHBondContact O-CG 3.47Å; G291-R293 PolarHBondContact O-N 2.91Å | ||
| 292 | I | 54.5 | Low | 55.7 | Low | 168 Ų | 168 | 133.7 Ų | 133.7 | 86% | 0.862 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 45.2 | -9.3 | 147.3 | -60.1 | 168.7 | 0 | 0 | 0 | 120.5 | Y290 | Y290-I292 PolarHBondContact O-N 3.14Š|
| 293 | R | 46.8 | Very low | 53.6 | Low | 233 Ų | 233 | 136.1 Ų | 136.1 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | trans | -115.9 | 62.5 | -171.1 | 29.1 | 176.6 | 164.8 | -140.3 | -3.2 | 112 | G291 | G291-R293 WeakPolarHBondContact O-CG 3.47Å; G291-R293 PolarHBondContact O-N 2.91Å | ||
| 294 | E | 41.3 | Very low | 51.6 | Low | 194 Ų | 194 | 140.3 Ų | 140.3 | 91% | 0.907 | 73% | 0.733 | S | S | * | * | trans | -142.5 | 53.1 | 152 | -70.5 | -170.7 | -175.6 | 0 | 0 | 108.4 | ||||
| 295 | I | 43.6 | Very low | 49.5 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -104.9 | 101.4 | 155.7 | -56.1 | 175.4 | 0 | 0 | 0 | 104.1 | M297 | I295-M297 PolarHBondContact O-N 3.44Š|
| 296 | T | 37 | Very low | 47.6 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -36.5 | 123 | 171.7 | 23.3 | 0 | 0 | 0 | 0 | 111.7 | N298 | T296-N298 VanDerWaalsContact C-N 3.28Å; T296-N298 PolarHBondContact O-N 2.98Å | ||
| 297 | M | 36.4 | Very low | 45.8 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 89% | 0.892 | 77% | 0.774 | S | S | * | * | trans | -66.1 | 74.7 | 177.7 | -68.9 | -77.6 | -171 | 0 | 0 | 111.6 | I295 | I295-M297 PolarHBondContact O-N 3.44Š| ||
| 298 | N | 36.9 | Very low | 44.6 | Very low | 143 Ų | 143 | 156.6 Ų | 156.6 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -121.4 | 70.3 | 167.1 | -73 | 14.8 | 0 | 0 | 0 | 109.5 | T296 | T296-N298 VanDerWaalsContact C-N 3.28Å; T296-N298 PolarHBondContact O-N 2.98Å | ||
| 299 | N | 36.6 | Very low | 42.8 | Very low | 167 Ų | 167 | 161.3 Ų | 161.3 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -177.2 | 98.1 | 140.4 | -101.8 | -45.6 | 0 | 0 | 0 | 109.7 | ||||
| 300 | I | 36.2 | Very low | 41.5 | Very low | 140 Ų | 140 | 162.5 Ų | 162.5 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | trans | -72.1 | 144.1 | 160.3 | -71.5 | 160.8 | 0 | 0 | 0 | 107.1 | ||||
| 301 | N | 35.6 | Very low | 40.5 | Very low | 143 Ų | 143 | 163.7 Ų | 163.7 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | 92 | 85.3 | 172.9 | -49.7 | -32.5 | 0 | 0 | 0 | 116.6 | ||||
| 302 | D | 39.8 | Very low | 40.1 | Very low | 166 Ų | 166 | 166.8 Ų | 166.8 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | -161.7 | 127.8 | 116.7 | -96.8 | -22.3 | 0 | 0 | 0 | 110.1 | |||||
| 303 | T | 40.2 | Very low | 39.4 | Very low | 129 Ų | 129 | 164.2 Ų | 164.2 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -58.2 | 138.1 | -178.4 | 44.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 304 | E | 38.5 | Very low | 38.9 | Very low | 170 Ų | 170 | 159 Ų | 159 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 62.3 | 119.9 | 157.1 | -75 | -174.8 | 148.7 | 0 | 0 | 119.8 | ||
| 305 | K | 38.5 | Very low | 38.9 | Very low | 186 Ų | 186 | 155.3 Ų | 155.3 | 81% | 0.809 | 80% | 0.801 | S | S | * | * | trans | 75.6 | 70 | 160.6 | -52.4 | 169.1 | -169 | 172.4 | 0 | 116.5 | ||||
| 306 | R | 35.5 | Very low | 38.7 | Very low | 233 Ų | 233 | 156.7 Ų | 156.7 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -126.7 | 75.4 | 146.2 | -70.1 | -172.8 | -176.4 | 170.2 | 4.3 | 110.2 | I308 | R306-I308 PolarHBondContact O-N 3.15Å; R306-I308 VanDerWaalsContact O-N 3.11Å | ||
| 307 | R | 40.2 | Very low | 38.7 | Very low | 244 Ų | 244 | 158.1 Ų | 158.1 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -61.5 | 113.1 | 163.6 | -79.5 | 172.5 | 87 | 161.1 | 3.2 | 107.6 | R309 | R307-R309 PolarHBondContact O-N 2.87Š| ||
| 308 | I | 43.1 | Very low | 38.8 | Very low | 161 Ų | 161 | 157.3 Ų | 157.3 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -1.3 | 107.5 | 159 | -59.3 | 169.4 | 0 | 0 | 0 | 112.6 | R306 A310 | R306-I308 PolarHBondContact O-N 3.15Å; R306-I308 VanDerWaalsContact O-N 3.11Å; I308-A310 VanDerWaalsContact C-N 3.25Å; I308-A310 PolarHBondContact O-N 3.36Å | ||
| 309 | R | 35.9 | Very low | 38.6 | Very low | 214 Ų | 214 | 156.4 Ų | 156.4 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -55.8 | 91.2 | 156.1 | -72 | 175.7 | 171.4 | 108.2 | -3.2 | 107.9 | R307 | R307-R309 PolarHBondContact O-N 2.87Š| ||
| 310 | A | 40.4 | Very low | 38.7 | Very low | 71 Ų | 71 | 157.5 Ų | 157.5 | 59% | 0.587 | 80% | 0.796 | S | S | * | * | trans | -57 | 132.5 | 140 | 0 | 0 | 0 | 0 | 0 | 105.8 | I308 T312 | I308-A310 VanDerWaalsContact C-N 3.25Å; I308-A310 PolarHBondContact O-N 3.36Å; A310-T312 PolarHBondContact O-N 3.01Å | ||
| 311 | L | 44.6 | Very low | 38.8 | Very low | 177 Ų | 177 | 156.4 Ų | 156.4 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -69.3 | 39.2 | -176.7 | -73.3 | 163.1 | 0 | 0 | 0 | 113.1 | ||
| 312 | T | 40.6 | Very low | 39.1 | Very low | 110 Ų | 110 | 156.9 Ų | 156.9 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -123.6 | 111.4 | 170 | -33.6 | 0 | 0 | 0 | 0 | 106.2 | A310 | A310-T312 PolarHBondContact O-N 3.01Š|
| 313 | P | 38.9 | Very low | 39.4 | Very low | 114 Ų | 114 | 157.2 Ų | 157.2 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | -58.9 | 131.7 | 176.3 | 23.3 | -30.6 | 0 | 0 | 0 | 109 | S315 | P313-S315 PolarHBondContact O-N 3.36Š| ||
| 314 | P | 36.8 | Very low | 39.5 | Very low | 123 Ų | 123 | 159 Ų | 159 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -70.2 | 104.4 | 178.8 | 27.3 | -31.3 | 0 | 0 | 0 | 108.6 | Q316 | P314-Q316 PolarHBondContact O-N 2.74Š| ||
| 315 | S | 42.2 | Very low | 40.1 | Very low | 117 Ų | 117 | 163 Ų | 163 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -70.8 | 114.7 | 167.9 | 66.9 | 0 | 0 | 0 | 0 | 107.8 | P313 | P313-S315 PolarHBondContact O-N 3.36Š| ||
| 316 | Q | 38.9 | Very low | 40.7 | Very low | 175 Ų | 175 | 162.8 Ų | 162.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -47.3 | 141.1 | 174 | -69.9 | 164.9 | -1.6 | 0 | 0 | 111.2 | P314 H318 | P314-Q316 PolarHBondContact O-N 2.74Å; Q316-H318 PolarHBondContact O-N 2.93Å | ||
| 317 | I | 36.7 | Very low | 41.7 | Very low | 156 Ų | 156 | 160.6 Ų | 160.6 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -55.6 | 104.4 | 171.4 | -63 | 155.8 | 0 | 0 | 0 | 108.2 | ||||
| 318 | H | 37.8 | Very low | 42.4 | Very low | 165 Ų | 165 | 160 Ų | 160 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -148.6 | 101.5 | 149.4 | -80.7 | -65.5 | 0 | 0 | 0 | 109.3 | Q316 K320 | Q316-H318 PolarHBondContact O-N 2.93Å; H318-K320 PolarHBondContact O-N 3.38Å | ||
| 319 | T | 33.8 | Very low | 43.2 | Very low | 123 Ų | 123 | 157.6 Ų | 157.6 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 6.6 | 101.3 | 142 | 53.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 320 | K | 37.6 | Very low | 44.6 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -175.8 | 133.7 | 132.7 | -97.1 | 167.6 | -167.2 | -171.1 | 0 | 109.5 | H318 I322 | H318-K320 PolarHBondContact O-N 3.38Å; K320-I322 PolarHBondContact O-N 3Å | ||
| 321 | P | 40 | Very low | 46.1 | Very low | 118 Ų | 118 | 156.3 Ų | 156.3 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -80.1 | 103.2 | -169.7 | 31.3 | -32.6 | 0 | 0 | 0 | 110.9 | Q323 | P321-Q323 PolarHBondContact O-N 3.45Š| ||
| 322 | I | 40.7 | Very low | 47.3 | Very low | 152 Ų | 152 | 155.1 Ų | 155.1 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -82.9 | 99 | 172.5 | -61.6 | 175.3 | 0 | 0 | 0 | 108.5 | K320 H324 | K320-I322 PolarHBondContact O-N 3Å; I322-H324 HydrophobicContact CG2-CB 4.46Å; I322-H324 PolarHBondContact O-N 2.91Å | ||
| 323 | Q | 47.2 | Very low | 48.5 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -68.6 | 61.1 | 175 | -63.9 | -178.2 | -15.2 | 0 | 0 | 112.6 | P321 | P321-Q323 PolarHBondContact O-N 3.45Š| ||
| 324 | H | 42 | Very low | 49.8 | Very low | 166 Ų | 166 | 152.2 Ų | 152.2 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -143.7 | 30.6 | 174.1 | -84.4 | -70.7 | 0 | 0 | 0 | 114.9 | I322 K326 | I322-H324 HydrophobicContact CG2-CB 4.46Å; I322-H324 PolarHBondContact O-N 2.91Å; H324-K326 PolarHBondContact O-N 3.44Å | ||
| 325 | R | 50 | Low | 51.5 | Low | 254 Ų | 254 | 153.6 Ų | 153.6 | 96% | 0.958 | 75% | 0.748 | S | S | * | * | trans | -83.3 | 61.3 | 163.6 | -73.5 | -165.4 | 156.7 | -156.9 | -5.5 | 111.7 | ||||
| 326 | K | 51.3 | Low | 52.7 | Low | 182 Ų | 182 | 153.8 Ų | 153.8 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -116.7 | 138 | 155.4 | -67.9 | -177.7 | -177.9 | 178.7 | 0 | 105.8 | H324 | H324-K326 PolarHBondContact O-N 3.44Š| ||
| 327 | K | 56.6 | Low | 53.9 | Low | 186 Ų | 186 | 150.8 Ų | 150.8 | 81% | 0.809 | 72% | 0.72 | S | S | * | * | trans | 101.7 | 86.9 | 179.5 | -54.8 | 160.3 | -172.5 | -170.6 | 0 | 112.7 | ||||
| 328 | Y | 54.4 | Low | 54.9 | Low | 232 Ų | 232 | 148.4 Ų | 148.4 | 91% | 0.91 | 71% | 0.709 | S | S | * | * | -174.6 | 59.3 | 127 | -77.1 | -62.4 | 0 | 0 | 0 | 107.2 | T330 | Y328-T330 PolarHBondContact O-N 2.84Š| |||
| 329 | T | 60.9 | Low | 55.6 | Low | 111 Ų | 111 | 147.6 Ų | 147.6 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | trans | -76.5 | 113.5 | 162.4 | 51.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 330 | T | 64.7 | Low | 56.6 | Low | 79 Ų | 79 | 144.8 Ų | 144.8 | 49% | 0.485 | 69% | 0.686 | S | S | . | * | trans | -58 | 151.7 | 169.2 | 54 | 0 | 0 | 0 | 0 | 109 | Y328 Y332 N333 A334 | Y328-T330 PolarHBondContact O-N 2.84Å; T330-Y332 PolarHBondContact O-N 2.99Å; T330-Y332 VanDerWaalsContact O-N 3.08Å; T330-N333 PolarHBondContact O-N 2.81Å; T330-N333 PolarHBondContact OG1-N 3.35Å; T330-A334 PolarHBondContact O-N 3.24Å | ||
| 331 | E | 71.6 | Confident | 57.6 | Low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -53.4 | -31.1 | 174.8 | -63.7 | -177.5 | 177.7 | 0 | 0 | 111.7 | A334 K335 | E331-A334 PolarHBondContact O-N 2.98Å; E331-K335 WeakPolarHBondContact O-CB 3.41Å; E331-K335 PolarHBondContact O-N 3.43Å |
| 332 | Y | 71.6 | Confident | 58.4 | Low | 152 Ų | 152 | 137.5 Ų | 137.5 | 60% | 0.596 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -61.7 | -49.9 | 173.4 | -170.4 | -90.9 | 0 | 0 | 0 | 112.6 | T330 A334 K335 Y336 | T330-Y332 PolarHBondContact O-N 2.99Å; T330-Y332 VanDerWaalsContact O-N 3.08Å; Y332-A334 VanDerWaalsContact C-N 3.29Å; Y332-A334 PolarHBondContact O-N 2.97Å; Y332-K335 PolarHBondContact O-N 3.12Å; Y332-K335 VanDerWaalsContact O-N 3.15Å; Y332-Y336 HydrophobicContact CD1-CD2 4.15Å; Y332-Y336 AromaticContact CD2-CD2 3.7Å; Y332-Y336 HydrophobicContact CD2-CD2 3.7Å; Y332-Y336 AromaticContact CD2-CE2 3.8Å; Y332-Y336 HydrophobicContact CD2-CE2 3.8Å; Y332-Y336 AromaticContact CE1-CD2 3.98Å; Y332-Y336 HydrophobicContact CE1-CD2 3.98Å; Y332-Y336 HydrophobicContact CE1-CG 4.5Å; Y332-Y336 AromaticContact CE2-CD2 3.51Å; Y332-Y336 HydrophobicContact CE2-CD2 3.51Å; Y332-Y336 AromaticContact CE2-CE2 3.54Å; Y332-Y336 HydrophobicContact CE2-CE2 3.54Å; Y332-Y336 HydrophobicContact CG-CD2 4.02Å; Y332-Y336 AromaticContact CZ-CD2 3.66Å; Y332-Y336 WeakPolarHBondContact O-CD2 3.34Å; Y332-Y336 PolarHBondContact O-N 3.42Å |
| 333 | N | 65.2 | Low | 59.1 | Low | 93 Ų | 93 | 133.9 Ų | 133.9 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69.6 | -27.1 | 179.1 | -69.5 | -0.6 | 0 | 0 | 0 | 112.5 | T330 Y336 | T330-N333 PolarHBondContact O-N 2.81Å; T330-N333 PolarHBondContact OG1-N 3.35Å; N333-Y336 CarbonylContact O-C 3.48Å |
| 334 | A | 65.3 | Low | 59.4 | Low | 69 Ų | 69 | 132.5 Ų | 132.5 | 57% | 0.57 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.8 | -34.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | T330 E331 Y332 | T330-A334 PolarHBondContact O-N 3.24Å; E331-A334 PolarHBondContact O-N 2.98Å; Y332-A334 VanDerWaalsContact C-N 3.29Å; Y332-A334 PolarHBondContact O-N 2.97Å |
| 335 | K | 73 | Confident | 59.8 | Low | 153 Ų | 153 | 127.5 Ų | 127.5 | 67% | 0.665 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80.3 | -39.6 | 179.1 | -171.9 | 175.7 | -178.3 | -174 | 0 | 112.8 | E331 Y332 | E331-K335 WeakPolarHBondContact O-CB 3.41Å; E331-K335 PolarHBondContact O-N 3.43Å; Y332-K335 PolarHBondContact O-N 3.12Å; Y332-K335 VanDerWaalsContact O-N 3.15Å |
| 336 | Y | 66.9 | Low | 59.5 | Low | 121 Ų | 121 | 119.9 Ų | 119.9 | 48% | 0.475 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -113.2 | 89.5 | 179.8 | -56.3 | -77.7 | 0 | 0 | 0 | 107.7 | Y332 N333 D338 | Y332-Y336 HydrophobicContact CD1-CD2 4.15Å; Y332-Y336 AromaticContact CD2-CD2 3.7Å; Y332-Y336 HydrophobicContact CD2-CD2 3.7Å; Y332-Y336 AromaticContact CD2-CE2 3.8Å; Y332-Y336 HydrophobicContact CD2-CE2 3.8Å; Y332-Y336 AromaticContact CE1-CD2 3.98Å; Y332-Y336 HydrophobicContact CE1-CD2 3.98Å; Y332-Y336 HydrophobicContact CE1-CG 4.5Å; Y332-Y336 AromaticContact CE2-CD2 3.51Å; Y332-Y336 HydrophobicContact CE2-CD2 3.51Å; Y332-Y336 AromaticContact CE2-CE2 3.54Å; Y332-Y336 HydrophobicContact CE2-CE2 3.54Å; Y332-Y336 HydrophobicContact CG-CD2 4.02Å; Y332-Y336 AromaticContact CZ-CD2 3.66Å; Y332-Y336 WeakPolarHBondContact O-CD2 3.34Å; Y332-Y336 PolarHBondContact O-N 3.42Å; N333-Y336 CarbonylContact O-C 3.48Å; Y336-D338 PolarHBondContact O-N 3Å; Y336-D338 VanDerWaalsContact O-N 3.13Å |
| 337 | I | 65 | Low | 59.4 | Low | 111 Ų | 111 | 120.3 Ų | 120.3 | 57% | 0.569 | 60% | 0.6 | S | S | * | * | trans | -59.8 | 118.2 | 168.1 | -63.4 | 168.8 | 0 | 0 | 0 | 106.1 | Y339 | I337-Y339 PolarHBondContact O-N 3.38Š| ||
| 338 | D | 56.6 | Low | 59 | Low | 107 Ų | 107 | 118.8 Ų | 118.8 | 57% | 0.572 | 60% | 0.601 | S | S | * | * | trans | -65.4 | 111.2 | 172.7 | -146 | -9.1 | 0 | 0 | 0 | 107 | Y336 S340 D341 | Y336-D338 PolarHBondContact O-N 3Å; Y336-D338 VanDerWaalsContact O-N 3.13Å; D338-S340 PolarHBondContact O-N 3.28Å; D338-D341 PolarHBondContact O-N 3Å | ||
| 339 | Y | 53 | Low | 58.7 | Low | 147 Ų | 147 | 115.7 Ų | 115.7 | 58% | 0.576 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -63.7 | -15.9 | -173.1 | -69.3 | -81.9 | 0 | 0 | 0 | 112.5 | I337 D341 V342 | I337-Y339 PolarHBondContact O-N 3.38Å; Y339-D341 VanDerWaalsContact C-N 3.35Å; Y339-V342 WeakPolarHBondContact O-CB 3.39Å; Y339-V342 PolarHBondContact O-N 2.88Å |
| 340 | S | 56 | Low | 57.8 | Low | 65 Ų | 65 | 115.4 Ų | 115.4 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -65.5 | -33.1 | 172.4 | -65.5 | 0 | 0 | 0 | 0 | 113 | D338 V342 L343 | D338-S340 PolarHBondContact O-N 3.28Å; S340-V342 PolarHBondContact O-N 3.3Å; S340-L343 PolarHBondContact O-N 3.33Å; S340-L343 VanDerWaalsContact O-N 3.08Å |
| 341 | D | 57.2 | Low | 56.9 | Low | 111 Ų | 111 | 122.3 Ų | 122.3 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -68.4 | -15.6 | 179.6 | -74.9 | -7.7 | 0 | 0 | 0 | 112.7 | D338 Y339 L343 | D338-D341 PolarHBondContact O-N 3Å; Y339-D341 VanDerWaalsContact C-N 3.35Å; D341-L343 PolarHBondContact O-N 3.45Å |
| 342 | V | 57.9 | Low | 55.8 | Low | 44 Ų | 44 | 116.5 Ų | 116.5 | 27% | 0.267 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -69.9 | -19.1 | 175.1 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | Y339 S340 | Y339-V342 WeakPolarHBondContact O-CB 3.39Å; Y339-V342 PolarHBondContact O-N 2.88Å; S340-V342 PolarHBondContact O-N 3.3Å |
| 343 | L | 54.1 | Low | 54.9 | Low | 75 Ų | 75 | 114.3 Ų | 114.3 | 39% | 0.393 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.2 | -24.5 | -174.3 | -62 | 179.7 | 0 | 0 | 0 | 114.8 | S340 D341 V345 H359 Y362 | S340-L343 PolarHBondContact O-N 3.33Å; S340-L343 VanDerWaalsContact O-N 3.08Å; D341-L343 PolarHBondContact O-N 3.45Å; L343-V345 PolarHBondContact O-N 3.3Å; L343-H359 VanDerWaalsContact CD2-ND1 3.27Å; L343-H359 WeakPolarHBondContact CD2-ND1 3.43Å; L343-Y362 HydrophobicContact CD1-CD1 4.12Å; L343-Y362 HydrophobicContact CD1-CE1 3.72Å |
| 344 | D | 53.7 | Low | 54.3 | Low | 145 Ų | 145 | 116 Ų | 116 | 78% | 0.775 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -75.2 | -3.1 | 177.8 | -88.6 | 0.5 | 0 | 0 | 0 | 113.1 | P346 | D344-P346 VanDerWaalsContact O-CD 3.23Å; D344-P346 WeakPolarHBondContact O-CD 3.4Å |
| 345 | V | 50.2 | Low | 53.7 | Low | 62 Ų | 62 | 116.9 Ų | 116.9 | 38% | 0.376 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -79.8 | 113.4 | 169.5 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | L343 Q347 M350 | L343-V345 PolarHBondContact O-N 3.3Å; V345-Q347 PolarHBondContact O-N 2.68Å; V345-M350 HydrophobicContact CG1-SD 4.08Å |
| 346 | P | 45 | Very low | 53 | Low | 93 Ų | 93 | 112.8 Ų | 112.8 | 60% | 0.604 | 59% | 0.587 | S | S | * | * | trans | -56.8 | 131.3 | 179.7 | -21.9 | 33.4 | 0 | 0 | 0 | 110.4 | D344 N348 Q349 | D344-P346 VanDerWaalsContact O-CD 3.23Å; D344-P346 WeakPolarHBondContact O-CD 3.4Å; P346-N348 PolarHBondContact O-N 2.9Å; P346-Q349 PolarHBondContact O-N 3.45Å | ||
| 347 | Q | 49.3 | Very low | 52.9 | Low | 192 Ų | 192 | 113.1 Ų | 113.1 | 90% | 0.897 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -46.8 | -20.7 | -176.8 | -169.8 | 170.3 | -12.3 | 0 | 0 | 114.8 | V345 | V345-Q347 PolarHBondContact O-N 2.68Š|
| 348 | N | 47 | Very low | 53 | Low | 154 Ų | 154 | 110.1 Ų | 110.1 | 82% | 0.824 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -80.6 | -11.5 | -178.2 | -68.9 | -19.7 | 0 | 0 | 0 | 115.4 | P346 | P346-N348 PolarHBondContact O-N 2.9Š|
| 349 | Q | 47.7 | Very low | 53.8 | Low | 166 Ų | 166 | 109.3 Ų | 109.3 | 78% | 0.776 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -117.4 | 33.2 | -175.6 | -75.1 | -151.3 | 61.1 | 0 | 0 | 115.5 | P346 | P346-Q349 PolarHBondContact O-N 3.45Š|
| 350 | M | 43.6 | Very low | 55.1 | Low | 105 Ų | 105 | 106.3 Ų | 106.3 | 52% | 0.517 | 57% | 0.571 | S | S | . | * | trans | -151.6 | 81.2 | 168.5 | -115.9 | 147.2 | 170.3 | 0 | 0 | 113.8 | V345 S352 K355 | V345-M350 HydrophobicContact CG1-SD 4.08Å; M350-S352 PolarHBondContact O-N 3.45Å; M350-K355 VanDerWaalsContact CE-NZ 3.29Å; M350-K355 HydrophobicContact SD-CD 4.29Å; M350-K355 PolarHBondContact SD-NZ 3.31Å | ||
| 351 | K | 44.4 | Very low | 56.4 | Low | 225 Ų | 225 | 110.2 Ų | 110.2 | 98% | 0.978 | 58% | 0.576 | S | S | * | * | trans | -71.3 | 47.3 | 163.5 | -66.4 | -178.6 | 177.9 | 178.5 | 0 | 112.3 | ||||
| 352 | S | 49.6 | Very low | 57.6 | Low | 57 Ų | 57 | 108.5 Ų | 108.5 | 40% | 0.399 | 56% | 0.561 | S | S | . | * | trans | -117.1 | 111.4 | 174.1 | 69 | 0 | 0 | 0 | 0 | 110 | M350 N354 | M350-S352 PolarHBondContact O-N 3.45Å; S352-N354 PolarHBondContact O-N 3.3Å | ||
| 353 | S | 52.1 | Low | 58.9 | Low | 105 Ų | 105 | 112 Ų | 112 | 73% | 0.734 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -0.9 | -171.5 | 58.8 | 0 | 0 | 0 | 0 | 118 | ||
| 354 | N | 53.7 | Low | 60.6 | Low | 130 Ų | 130 | 113.9 Ų | 113.9 | 70% | 0.695 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -2.1 | -169.5 | -61.4 | -13.4 | 0 | 0 | 0 | 113.7 | S352 | S352-N354 PolarHBondContact O-N 3.3Š|
| 355 | K | 52.8 | Low | 62.3 | Low | 86 Ų | 86 | 108.4 Ų | 108.4 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -95.5 | -17.1 | 178.9 | -77.8 | -173.7 | 176.1 | -171.2 | 0 | 115.3 | M350 I357 S358 H359 | M350-K355 VanDerWaalsContact CE-NZ 3.29Å; M350-K355 HydrophobicContact SD-CD 4.29Å; M350-K355 PolarHBondContact SD-NZ 3.31Å; K355-I357 VanDerWaalsContact C-N 3.33Å; K355-I357 PolarHBondContact O-N 3.39Å; K355-S358 PolarHBondContact O-N 3.5Å; K355-H359 PolarHBondContact O-N 3.13Å |
| 356 | S | 57.3 | Low | 64.3 | Low | 68 Ų | 68 | 107.3 Ų | 107.3 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | -179.5 | 110.6 | 0 | 0 | 0 | 0 | 111.7 | S358 H359 D360 | S356-S358 PolarHBondContact O-N 3.02Å; S356-H359 WeakPolarHBondContact O-CA 3.36Å; S356-H359 WeakPolarHBondContact O-CB 3.4Å; S356-H359 PolarHBondContact O-N 3.06Å; S356-D360 PolarHBondContact O-N 3.32Å; S356-D360 VanDerWaalsContact O-OD2 3.12Å; S356-D360 PolarHBondContact OG-OD2 3.07Å |
| 357 | I | 64.2 | Low | 66.5 | Low | 128 Ų | 128 | 107 Ų | 107 | 66% | 0.656 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -56.7 | -38.4 | -179.8 | -65.8 | 158 | 0 | 0 | 0 | 112 | K355 W361 | K355-I357 VanDerWaalsContact C-N 3.33Å; K355-I357 PolarHBondContact O-N 3.39Å; I357-W361 WeakPolarHBondContact O-CB 3.36Å; I357-W361 PolarHBondContact O-N 2.99Å |
| 358 | S | 68.7 | Low | 68.7 | Low | 47 Ų | 47 | 102.5 Ų | 102.5 | 33% | 0.329 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.3 | -31.6 | 178.4 | -167.5 | 0 | 0 | 0 | 0 | 112.4 | K355 S356 Y362 | K355-S358 PolarHBondContact O-N 3.5Å; S356-S358 PolarHBondContact O-N 3.02Å; S358-Y362 WeakPolarHBondContact O-CB 3.38Å; S358-Y362 PolarHBondContact O-N 3.32Å |
| 359 | H | 72.7 | Confident | 70.9 | Confident | 90 Ų | 90 | 102.2 Ų | 102.2 | 42% | 0.417 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.4 | -44.9 | 177.5 | -170.2 | 73.2 | 0 | 0 | 0 | 111.3 | L343 K355 S356 W361 Y362 Q363 | L343-H359 VanDerWaalsContact CD2-ND1 3.27Å; L343-H359 WeakPolarHBondContact CD2-ND1 3.43Å; K355-H359 PolarHBondContact O-N 3.13Å; S356-H359 WeakPolarHBondContact O-CA 3.36Å; S356-H359 WeakPolarHBondContact O-CB 3.4Å; S356-H359 PolarHBondContact O-N 3.06Å; H359-W361 PolarHBondContact O-N 2.96Å; H359-Y362 PolarHBondContact O-N 3.22Å; H359-Q363 WeakPolarHBondContact O-CB 3.46Å; H359-Q363 PolarHBondContact O-N 2.83Å |
| 360 | D | 79.5 | Confident | 73 | Confident | 84 Ų | 84 | 101.4 Ų | 101.4 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | -179.8 | -60.6 | -29.7 | 0 | 0 | 0 | 110.9 | S356 Q363 E364 | S356-D360 PolarHBondContact O-N 3.32Å; S356-D360 VanDerWaalsContact O-OD2 3.12Å; S356-D360 PolarHBondContact OG-OD2 3.07Å; D360-Q363 PolarHBondContact O-N 3.1Å; D360-E364 PolarHBondContact O-N 3.44Å |
| 361 | W | 83.5 | Confident | 75.5 | Confident | 148 Ų | 148 | 102 Ų | 102 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -42.1 | 175.7 | -179.3 | 77.2 | 0 | 0 | 0 | 112.4 | I357 H359 Q363 E364 T365 | I357-W361 WeakPolarHBondContact O-CB 3.36Å; I357-W361 PolarHBondContact O-N 2.99Å; H359-W361 PolarHBondContact O-N 2.96Å; W361-Q363 VanDerWaalsContact C-N 3.33Å; W361-Q363 PolarHBondContact O-N 3.1Å; W361-E364 WeakPolarHBondContact O-CB 3.31Å; W361-E364 PolarHBondContact O-N 3.21Å; W361-T365 HydrophobicContact CD2-CG2 3.96Å; W361-T365 HydrophobicContact CE3-CG2 4.27Å; W361-T365 HydrophobicContact CH2-CG2 4Å; W361-T365 HydrophobicContact CZ2-CG2 3.65Å; W361-T365 HydrophobicContact CZ3-CG2 4.29Å; W361-T365 WeakPolarHBondContact O-CG2 3Å; W361-T365 PolarHBondContact O-N 2.94Å; W361-T365 PolarHBondContact O-OG1 3.22Å |
| 362 | Y | 82.9 | Confident | 77.8 | Confident | 75 Ų | 75 | 93.1 Ų | 93.1 | 29% | 0.294 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.8 | 179.8 | -102.1 | 0 | 0 | 0 | 111 | L343 S358 H359 E364 T365 V366 | L343-Y362 HydrophobicContact CD1-CD1 4.12Å; L343-Y362 HydrophobicContact CD1-CE1 3.72Å; S358-Y362 WeakPolarHBondContact O-CB 3.38Å; S358-Y362 PolarHBondContact O-N 3.32Å; H359-Y362 PolarHBondContact O-N 3.22Å; Y362-E364 VanDerWaalsContact C-N 3.32Å; Y362-E364 PolarHBondContact O-N 2.84Å; Y362-T365 WeakPolarHBondContact CA-OG1 3.45Å; Y362-T365 PolarHBondContact O-N 3.45Å; Y362-T365 PolarHBondContact O-OG1 3.48Å; Y362-V366 HydrophobicContact CD1-CG2 4.06Å; Y362-V366 HydrophobicContact CE1-CG2 3.61Å; Y362-V366 HydrophobicContact CE2-CG2 4.11Å; Y362-V366 WeakPolarHBondContact O-CG2 3.49Å; Y362-V366 PolarHBondContact O-N 2.95Å |
| 363 | Q | 85.8 | Confident | 79.9 | Confident | 116 Ų | 116 | 93.6 Ų | 93.6 | 54% | 0.542 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 175.9 | -170.5 | 178.1 | 1.2 | 0 | 0 | 111.7 | H359 D360 W361 V366 V367 | H359-Q363 WeakPolarHBondContact O-CB 3.46Å; H359-Q363 PolarHBondContact O-N 2.83Å; D360-Q363 PolarHBondContact O-N 3.1Å; W361-Q363 VanDerWaalsContact C-N 3.33Å; W361-Q363 PolarHBondContact O-N 3.1Å; Q363-V366 PolarHBondContact O-N 3.23Å; Q363-V367 WeakPolarHBondContact O-CG2 3.43Å; Q363-V367 PolarHBondContact O-N 3.08Å |
| 364 | E | 89.1 | Confident | 81.6 | Confident | 116 Ų | 116 | 90.8 Ų | 90.8 | 54% | 0.542 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 174.2 | -173 | -178.1 | 178.5 | 0 | 0 | 111.7 | D360 W361 Y362 V366 V367 L368 | D360-E364 PolarHBondContact O-N 3.44Å; W361-E364 WeakPolarHBondContact O-CB 3.31Å; W361-E364 PolarHBondContact O-N 3.21Å; Y362-E364 VanDerWaalsContact C-N 3.32Å; Y362-E364 PolarHBondContact O-N 2.84Å; E364-V366 VanDerWaalsContact C-N 3.3Å; E364-V366 PolarHBondContact O-N 3.03Å; E364-V367 PolarHBondContact O-N 3.44Å; E364-V367 VanDerWaalsContact O-N 3.15Å; E364-L368 HydrophobicContact CG-CD1 4.24Å; E364-L368 WeakPolarHBondContact O-CG 3.42Å; E364-L368 PolarHBondContact O-N 3.4Å |
| 365 | T | 89.6 | Confident | 83.3 | Confident | 30 Ų | 30 | 89.9 Ų | 89.9 | 18% | 0.184 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.7 | -36 | 178.4 | 61.2 | 0 | 0 | 0 | 0 | 112.8 | W361 Y362 L368 R369 | W361-T365 HydrophobicContact CD2-CG2 3.96Å; W361-T365 HydrophobicContact CE3-CG2 4.27Å; W361-T365 HydrophobicContact CH2-CG2 4Å; W361-T365 HydrophobicContact CZ2-CG2 3.65Å; W361-T365 HydrophobicContact CZ3-CG2 4.29Å; W361-T365 WeakPolarHBondContact O-CG2 3Å; W361-T365 PolarHBondContact O-N 2.94Å; W361-T365 PolarHBondContact O-OG1 3.22Å; Y362-T365 WeakPolarHBondContact CA-OG1 3.45Å; Y362-T365 PolarHBondContact O-N 3.45Å; Y362-T365 PolarHBondContact O-OG1 3.48Å; T365-L368 PolarHBondContact O-N 3.22Å; T365-R369 WeakPolarHBondContact O-CB 2.98Å; T365-R369 PolarHBondContact O-N 3Å |
| 366 | V | 91.2 | Very high | 84.8 | Confident | 38 Ų | 38 | 92.2 Ų | 92.2 | 23% | 0.23 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 174.7 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | Y362 Q363 E364 R369 K370 | Y362-V366 HydrophobicContact CD1-CG2 4.06Å; Y362-V366 HydrophobicContact CE1-CG2 3.61Å; Y362-V366 HydrophobicContact CE2-CG2 4.11Å; Y362-V366 WeakPolarHBondContact O-CG2 3.49Å; Y362-V366 PolarHBondContact O-N 2.95Å; Q363-V366 PolarHBondContact O-N 3.23Å; E364-V366 VanDerWaalsContact C-N 3.3Å; E364-V366 PolarHBondContact O-N 3.03Å; V366-R369 PolarHBondContact O-N 2.85Å; V366-K370 HydrophobicContact CG1-CD 4.49Å; V366-K370 WeakPolarHBondContact O-CG 3.49Å; V366-K370 PolarHBondContact O-N 2.93Å |
| 367 | V | 91.3 | Very high | 86.2 | Confident | 87 Ų | 87 | 95.3 Ų | 95.3 | 53% | 0.527 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 111 | Q363 E364 R369 K370 K371 | Q363-V367 WeakPolarHBondContact O-CG2 3.43Å; Q363-V367 PolarHBondContact O-N 3.08Å; E364-V367 PolarHBondContact O-N 3.44Å; E364-V367 VanDerWaalsContact O-N 3.15Å; V367-R369 PolarHBondContact O-N 3.33Å; V367-K370 PolarHBondContact O-N 2.86Å; V367-K371 WeakPolarHBondContact O-CB 3.4Å; V367-K371 PolarHBondContact O-N 2.71Å |
| 368 | L | 95.5 | Very high | 87.1 | Confident | 97 Ų | 97 | 95.8 Ų | 95.8 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 177.4 | -70.9 | 173.5 | 0 | 0 | 0 | 112.1 | E364 T365 K371 A372 | E364-L368 HydrophobicContact CG-CD1 4.24Å; E364-L368 WeakPolarHBondContact O-CG 3.42Å; E364-L368 PolarHBondContact O-N 3.4Å; T365-L368 PolarHBondContact O-N 3.22Å; L368-K371 PolarHBondContact O-N 3.01Å; L368-A372 WeakPolarHBondContact O-CB 3.42Å; L368-A372 PolarHBondContact O-N 3.08Å |
| 369 | R | 93.8 | Very high | 87.5 | Confident | 149 Ų | 149 | 99 Ų | 99 | 56% | 0.562 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.8 | -45.3 | 176.2 | -171 | 176.5 | -71.9 | 140.6 | -2.3 | 111.4 | T365 V366 V367 K371 A372 D373 | T365-R369 WeakPolarHBondContact O-CB 2.98Å; T365-R369 PolarHBondContact O-N 3Å; V366-R369 PolarHBondContact O-N 2.85Å; V367-R369 PolarHBondContact O-N 3.33Å; R369-K371 VanDerWaalsContact C-N 3.31Å; R369-K371 PolarHBondContact O-N 3.19Å; R369-A372 PolarHBondContact O-N 3.31Å; R369-D373 PolarHBondContact O-N 3.26Å |
| 370 | K | 92.8 | Very high | 87.7 | Confident | 149 Ų | 149 | 104.7 Ų | 104.7 | 65% | 0.648 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59 | -41.6 | 174.2 | -73.8 | 179.1 | 179.3 | -178.3 | 0 | 112 | V366 V367 D373 A374 | V366-K370 HydrophobicContact CG1-CD 4.49Å; V366-K370 WeakPolarHBondContact O-CG 3.49Å; V366-K370 PolarHBondContact O-N 2.93Å; V367-K370 PolarHBondContact O-N 2.86Å; K370-D373 PolarHBondContact O-N 3.11Å; K370-A374 PolarHBondContact O-N 3.24Å |
| 371 | K | 94.9 | Very high | 87.6 | Confident | 116 Ų | 116 | 107.6 Ų | 107.6 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 178 | -166.8 | 180 | 178.1 | 178.7 | 0 | 111.7 | V367 L368 R369 D373 A374 Y375 | V367-K371 WeakPolarHBondContact O-CB 3.4Å; V367-K371 PolarHBondContact O-N 2.71Å; L368-K371 PolarHBondContact O-N 3.01Å; R369-K371 VanDerWaalsContact C-N 3.31Å; R369-K371 PolarHBondContact O-N 3.19Å; K371-D373 VanDerWaalsContact C-N 3.35Å; K371-D373 PolarHBondContact O-N 2.97Å; K371-A374 WeakPolarHBondContact O-CB 3.3Å; K371-A374 PolarHBondContact O-N 3.29Å; K371-Y375 HydrophobicContact CD-CE2 4.09Å; K371-Y375 WeakPolarHBondContact CE-OH 3.43Å; K371-Y375 HydrophobicContact CG-CD2 4.23Å; K371-Y375 HydrophobicContact CG-CE2 3.6Å; K371-Y375 WeakPolarHBondContact O-CD2 3.46Å; K371-Y375 PolarHBondContact O-N 3.48Å |
| 372 | A | 93.7 | Very high | 87.4 | Confident | 40 Ų | 40 | 102.6 Ų | 102.6 | 33% | 0.331 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L368 R369 A374 Y375 R376 | L368-A372 WeakPolarHBondContact O-CB 3.42Å; L368-A372 PolarHBondContact O-N 3.08Å; R369-A372 PolarHBondContact O-N 3.31Å; A372-A374 VanDerWaalsContact C-N 3.34Å; A372-Y375 PolarHBondContact O-N 3.01Å; A372-R376 PolarHBondContact O-N 3.46Å |
| 373 | D | 92.1 | Very high | 87 | Confident | 66 Ų | 66 | 107.6 Ų | 107.6 | 35% | 0.353 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 176.4 | -67.6 | -21.5 | 0 | 0 | 0 | 112.2 | R369 K370 K371 R376 K377 | R369-D373 PolarHBondContact O-N 3.26Å; K370-D373 PolarHBondContact O-N 3.11Å; K371-D373 VanDerWaalsContact C-N 3.35Å; K371-D373 PolarHBondContact O-N 2.97Å; D373-R376 PolarHBondContact O-N 2.88Å; D373-R376 IonicContact OD1-CZ 3.1Å; D373-R376 IonicContact OD1-NE 3.76Å; D373-R376 PolarHBondContact OD1-NE 3.23Å; D373-R376 IonicContact OD1-NH2 3.65Å; D373-R376 PolarHBondContact OD1-NH2 2.94Å; D373-K377 WeakPolarHBondContact O-CG 3.09Å; D373-K377 PolarHBondContact O-N 3.31Å |
| 374 | A | 89 | Confident | 86.7 | Confident | 47 Ų | 47 | 107.6 Ų | 107.6 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K370 K371 A372 K377 R378 | K370-A374 PolarHBondContact O-N 3.24Å; K371-A374 WeakPolarHBondContact O-CB 3.3Å; K371-A374 PolarHBondContact O-N 3.29Å; A372-A374 VanDerWaalsContact C-N 3.34Å; A374-K377 PolarHBondContact O-N 2.72Å; A374-R378 PolarHBondContact O-N 3.32Å; A374-R378 VanDerWaalsContact O-N 3.09Å |
| 375 | Y | 88.5 | Confident | 86.3 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 171.8 | -70.5 | -58.7 | 0 | 0 | 0 | 111.4 | K371 A372 K377 R378 D379 | K371-Y375 HydrophobicContact CD-CE2 4.09Å; K371-Y375 WeakPolarHBondContact CE-OH 3.43Å; K371-Y375 HydrophobicContact CG-CD2 4.23Å; K371-Y375 HydrophobicContact CG-CE2 3.6Å; K371-Y375 WeakPolarHBondContact O-CD2 3.46Å; K371-Y375 PolarHBondContact O-N 3.48Å; A372-Y375 PolarHBondContact O-N 3.01Å; Y375-K377 VanDerWaalsContact C-N 3.29Å; Y375-K377 PolarHBondContact O-N 3.01Å; Y375-R378 PolarHBondContact O-N 3Å; Y375-R378 VanDerWaalsContact O-N 3.15Å; Y375-D379 VanDerWaalsContact O-CG 3.3Å; Y375-D379 PolarHBondContact O-N 3.43Å |
| 376 | R | 85.4 | Confident | 85.8 | Confident | 134 Ų | 134 | 114 Ų | 114 | 51% | 0.506 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.7 | -35.2 | 177.1 | -76.8 | -170.1 | -85.4 | -146.5 | -0.4 | 113.6 | A372 D373 R380 | A372-R376 PolarHBondContact O-N 3.46Å; D373-R376 PolarHBondContact O-N 2.88Å; D373-R376 IonicContact OD1-CZ 3.1Å; D373-R376 IonicContact OD1-NE 3.76Å; D373-R376 PolarHBondContact OD1-NE 3.23Å; D373-R376 IonicContact OD1-NH2 3.65Å; D373-R376 PolarHBondContact OD1-NH2 2.94Å; R376-R380 WeakPolarHBondContact O-CB 3.42Å; R376-R380 WeakPolarHBondContact O-CG 3.29Å; R376-R380 PolarHBondContact O-N 3.32Å; R376-R380 VanDerWaalsContact O-N 3.1Å |
| 377 | K | 85.7 | Confident | 85.5 | Confident | 134 Ų | 134 | 118.5 Ų | 118.5 | 58% | 0.583 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.3 | -47.9 | 173.7 | -75.8 | -177.8 | 179.8 | -173.8 | 0 | 111.4 | D373 A374 Y375 D379 R380 E381 | D373-K377 WeakPolarHBondContact O-CG 3.09Å; D373-K377 PolarHBondContact O-N 3.31Å; A374-K377 PolarHBondContact O-N 2.72Å; Y375-K377 VanDerWaalsContact C-N 3.29Å; Y375-K377 PolarHBondContact O-N 3.01Å; K377-D379 VanDerWaalsContact C-N 3.32Å; K377-D379 PolarHBondContact O-N 2.91Å; K377-R380 PolarHBondContact O-N 3.03Å; K377-E381 WeakPolarHBondContact O-CB 3.48Å; K377-E381 VanDerWaalsContact O-CG 3.31Å; K377-E381 WeakPolarHBondContact O-CG 3.39Å; K377-E381 PolarHBondContact O-N 3.02Å |
| 378 | R | 83.2 | Confident | 85.2 | Confident | 137 Ų | 137 | 118.5 Ų | 118.5 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 177.4 | -167.4 | -175.5 | -57.6 | 100.3 | 1.6 | 112.1 | A374 Y375 R380 E381 S382 | A374-R378 PolarHBondContact O-N 3.32Å; A374-R378 VanDerWaalsContact O-N 3.09Å; Y375-R378 PolarHBondContact O-N 3Å; Y375-R378 VanDerWaalsContact O-N 3.15Å; R378-R380 VanDerWaalsContact C-N 3.32Å; R378-R380 PolarHBondContact O-N 3.5Å; R378-E381 PolarHBondContact O-N 3.27Å; R378-S382 WeakPolarHBondContact O-CB 3.38Å; R378-S382 PolarHBondContact O-N 3.15Å |
| 379 | D | 77.1 | Confident | 84.7 | Confident | 114 Ų | 114 | 117.5 Ų | 117.5 | 61% | 0.61 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68 | -33.4 | 178.9 | -66.6 | -7.6 | 0 | 0 | 0 | 112 | Y375 K377 | Y375-D379 VanDerWaalsContact O-CG 3.3Å; Y375-D379 PolarHBondContact O-N 3.43Å; K377-D379 VanDerWaalsContact C-N 3.32Å; K377-D379 PolarHBondContact O-N 2.91Å |
| 380 | R | 77.5 | Confident | 84.3 | Confident | 211 Ų | 211 | 113 Ų | 113 | 80% | 0.796 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -74 | -31.6 | 174 | -75.5 | 173.9 | 178.4 | 174.8 | -0.9 | 113 | R376 K377 R378 | R376-R380 WeakPolarHBondContact O-CB 3.42Å; R376-R380 WeakPolarHBondContact O-CG 3.29Å; R376-R380 PolarHBondContact O-N 3.32Å; R376-R380 VanDerWaalsContact O-N 3.1Å; K377-R380 PolarHBondContact O-N 3.03Å; R378-R380 VanDerWaalsContact C-N 3.32Å; R378-R380 PolarHBondContact O-N 3.5Å |
| 381 | E | 77.1 | Confident | 84 | Confident | 144 Ų | 144 | 109.9 Ų | 109.9 | 67% | 0.673 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -82.4 | -22.1 | 177.1 | -71 | 167.8 | -161.7 | 0 | 0 | 112.2 | K377 R378 H383 | K377-E381 WeakPolarHBondContact O-CB 3.48Å; K377-E381 VanDerWaalsContact O-CG 3.31Å; K377-E381 WeakPolarHBondContact O-CG 3.39Å; K377-E381 PolarHBondContact O-N 3.02Å; R378-E381 PolarHBondContact O-N 3.27Å; E381-H383 PolarHBondContact O-N 3.24Å |
| 382 | S | 78.4 | Confident | 83.4 | Confident | 43 Ų | 43 | 109.5 Ų | 109.5 | 30% | 0.301 | 52% | 0.518 | S | S | . | . | trans | -72.2 | 118 | 174.1 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | R378 F384 | R378-S382 WeakPolarHBondContact O-CB 3.38Å; R378-S382 PolarHBondContact O-N 3.15Å; S382-F384 PolarHBondContact O-N 2.99Å; S382-F384 PolarHBondContact OG-N 2.77Å | ||
| 383 | H | 75.8 | Confident | 82.9 | Confident | 180 Ų | 180 | 115.4 Ų | 115.4 | 83% | 0.833 | 54% | 0.539 | S | S | * | . | trans | -74.1 | -6.9 | 170.5 | -62.4 | -61.7 | 0 | 0 | 0 | 113.2 | E381 S385 | E381-H383 PolarHBondContact O-N 3.24Å; H383-S385 PolarHBondContact O-N 3.26Å | ||
| 384 | F | 79.9 | Confident | 82.7 | Confident | 117 Ų | 117 | 114 Ų | 114 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | trans | -81.8 | 117.9 | 176.3 | -60.3 | -75.5 | 0 | 0 | 0 | 109.5 | S382 H388 L389 L392 | S382-F384 PolarHBondContact O-N 2.99Å; S382-F384 PolarHBondContact OG-N 2.77Å; F384-H388 HydrophobicContact CB-CB 4.17Å; F384-H388 HydrophobicContact CD1-CB 4.03Å; F384-L389 HydrophobicContact CB-CD2 3.82Å; F384-L389 HydrophobicContact CB-CG 3.92Å; F384-L389 HydrophobicContact CG-CD2 4.23Å; F384-L392 HydrophobicContact CD1-CD1 4.49Å; F384-L392 HydrophobicContact CE1-CD1 4.43Å | ||
| 385 | S | 80.2 | Confident | 82.4 | Confident | 51 Ų | 51 | 118.5 Ų | 118.5 | 36% | 0.357 | 55% | 0.552 | S | S | . | * | trans | -62.4 | 160.4 | 166 | 73.4 | 0 | 0 | 0 | 0 | 109.1 | H383 E387 H388 L389 | H383-S385 PolarHBondContact O-N 3.26Å; S385-E387 PolarHBondContact O-N 2.82Å; S385-E387 PolarHBondContact OG-N 3.29Å; S385-H388 PolarHBondContact N-ND1 3.48Å; S385-H388 PolarHBondContact O-N 2.89Å; S385-H388 VanDerWaalsContact OG-CG 3.28Å; S385-H388 PolarHBondContact OG-N 2.99Å; S385-H388 PolarHBondContact OG-ND1 3.39Å; S385-L389 PolarHBondContact O-N 3.37Å; S385-L389 VanDerWaalsContact O-N 3.13Å | ||
| 386 | R | 79.8 | Confident | 82 | Confident | 230 Ų | 230 | 121.2 Ų | 121.2 | 87% | 0.868 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -55.5 | -33.9 | 172.4 | -173.5 | 174.4 | -178.9 | -175.6 | -1.1 | 111.9 | A390 | R386-A390 PolarHBondContact O-N 3.36Å; R386-A390 VanDerWaalsContact O-N 3.1Å |
| 387 | E | 83.8 | Confident | 81.7 | Confident | 132 Ų | 132 | 117 Ų | 117 | 62% | 0.617 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.3 | -43.9 | 175.6 | -160.3 | 85.2 | -168.7 | 0 | 0 | 111.7 | S385 L389 A390 Q391 | S385-E387 PolarHBondContact O-N 2.82Å; S385-E387 PolarHBondContact OG-N 3.29Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 2.88Å; E387-A390 WeakPolarHBondContact O-CB 3.32Å; E387-A390 PolarHBondContact O-N 3.28Å; E387-A390 VanDerWaalsContact O-N 3.14Å; E387-Q391 WeakPolarHBondContact O-CG 3.5Å; E387-Q391 PolarHBondContact O-N 3.37Å |
| 388 | H | 84.6 | Confident | 81.3 | Confident | 87 Ų | 87 | 117 Ų | 117 | 40% | 0.403 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -41.2 | 178.1 | -67.9 | 151 | 0 | 0 | 0 | 111.6 | F384 S385 A390 Q391 L392 | F384-H388 HydrophobicContact CB-CB 4.17Å; F384-H388 HydrophobicContact CD1-CB 4.03Å; S385-H388 PolarHBondContact N-ND1 3.48Å; S385-H388 PolarHBondContact O-N 2.89Å; S385-H388 VanDerWaalsContact OG-CG 3.28Å; S385-H388 PolarHBondContact OG-N 2.99Å; S385-H388 PolarHBondContact OG-ND1 3.39Å; H388-A390 VanDerWaalsContact C-N 3.33Å; H388-Q391 PolarHBondContact O-N 3.1Å; H388-L392 WeakPolarHBondContact O-CG 3.43Å; H388-L392 PolarHBondContact O-N 3.17Å |
| 389 | L | 84.6 | Confident | 81 | Confident | 76 Ų | 76 | 117.2 Ų | 117.2 | 40% | 0.398 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.3 | -40.3 | 174.9 | -65.7 | 177.2 | 0 | 0 | 0 | 111.4 | F384 S385 E387 Q391 L392 E393 | F384-L389 HydrophobicContact CB-CD2 3.82Å; F384-L389 HydrophobicContact CB-CG 3.92Å; F384-L389 HydrophobicContact CG-CD2 4.23Å; S385-L389 PolarHBondContact O-N 3.37Å; S385-L389 VanDerWaalsContact O-N 3.13Å; E387-L389 VanDerWaalsContact C-N 3.32Å; E387-L389 PolarHBondContact O-N 2.88Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 3.37Å; L389-L392 PolarHBondContact O-N 2.88Å; L389-E393 WeakPolarHBondContact O-CG 3.44Å; L389-E393 PolarHBondContact O-N 3.39Å |
| 390 | A | 85.6 | Confident | 81.1 | Confident | 55 Ų | 55 | 120.5 Ų | 120.5 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65 | -34.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R386 E387 H388 E393 S394 | R386-A390 PolarHBondContact O-N 3.36Å; R386-A390 VanDerWaalsContact O-N 3.1Å; E387-A390 WeakPolarHBondContact O-CB 3.32Å; E387-A390 PolarHBondContact O-N 3.28Å; E387-A390 VanDerWaalsContact O-N 3.14Å; H388-A390 VanDerWaalsContact C-N 3.33Å; A390-E393 PolarHBondContact O-N 2.94Å; A390-S394 PolarHBondContact O-N 2.77Å |
| 391 | Q | 86.8 | Confident | 81 | Confident | 82 Ų | 82 | 116.3 Ų | 116.3 | 38% | 0.383 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -42.1 | 173.4 | -72 | 172.8 | 1 | 0 | 0 | 111.3 | E387 H388 L389 E393 S394 V397 | E387-Q391 WeakPolarHBondContact O-CG 3.5Å; E387-Q391 PolarHBondContact O-N 3.37Å; H388-Q391 PolarHBondContact O-N 3.1Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 3.37Å; Q391-E393 VanDerWaalsContact C-N 3.31Å; Q391-E393 PolarHBondContact O-N 3.42Å; Q391-S394 WeakPolarHBondContact O-CB 3.46Å; Q391-S394 PolarHBondContact O-N 3.33Å; Q391-S394 PolarHBondContact O-OG 3.25Å; Q391-V397 WeakPolarHBondContact O-CG2 3.35Å |
| 392 | L | 83.4 | Confident | 80.7 | Confident | 108 Ų | 108 | 113.5 Ų | 113.5 | 57% | 0.565 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.6 | -24.9 | 176.2 | -68.8 | 173.8 | 0 | 0 | 0 | 113.6 | F384 H388 L389 S394 V397 | F384-L392 HydrophobicContact CD1-CD1 4.49Å; F384-L392 HydrophobicContact CE1-CD1 4.43Å; H388-L392 WeakPolarHBondContact O-CG 3.43Å; H388-L392 PolarHBondContact O-N 3.17Å; L389-L392 PolarHBondContact O-N 2.88Å; L392-S394 VanDerWaalsContact C-N 3.33Å; L392-V397 WeakPolarHBondContact O-CG2 3.29Å |
| 393 | E | 82.8 | Confident | 80.4 | Confident | 164 Ų | 164 | 114.2 Ų | 114.2 | 77% | 0.766 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -4.1 | 173.9 | -72.2 | 177.9 | 179 | 0 | 0 | 113 | L389 A390 Q391 | L389-E393 WeakPolarHBondContact O-CG 3.44Å; L389-E393 PolarHBondContact O-N 3.39Å; A390-E393 PolarHBondContact O-N 2.94Å; Q391-E393 VanDerWaalsContact C-N 3.31Å; Q391-E393 PolarHBondContact O-N 3.42Å |
| 394 | S | 87 | Confident | 80.3 | Confident | 36 Ų | 36 | 111.5 Ų | 111.5 | 25% | 0.252 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -79.2 | 145.6 | -176.6 | 76.3 | 0 | 0 | 0 | 0 | 112.4 | A390 Q391 L392 Y396 V397 | A390-S394 PolarHBondContact O-N 2.77Å; Q391-S394 WeakPolarHBondContact O-CB 3.46Å; Q391-S394 PolarHBondContact O-N 3.33Å; Q391-S394 PolarHBondContact O-OG 3.25Å; L392-S394 VanDerWaalsContact C-N 3.33Å; S394-Y396 PolarHBondContact O-N 3.06Å; S394-V397 WeakPolarHBondContact O-CB 3.37Å; S394-V397 VanDerWaalsContact O-CG2 3.29Å; S394-V397 WeakPolarHBondContact O-CG2 3.35Å; S394-V397 PolarHBondContact O-N 2.82Å |
| 395 | D | 83.1 | Confident | 80.2 | Confident | 143 Ų | 143 | 111.3 Ų | 111.3 | 77% | 0.765 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -12.7 | 171.1 | -59.9 | -18.4 | 0 | 0 | 0 | 112.7 | V397 | D395-V397 VanDerWaalsContact C-N 3.3Š|
| 396 | Y | 79.9 | Confident | 80.1 | Confident | 167 Ų | 167 | 115.7 Ų | 115.7 | 66% | 0.655 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -13.9 | 176.7 | -64.2 | -72.6 | 0 | 0 | 0 | 113.1 | S394 D398 H399 | S394-Y396 PolarHBondContact O-N 3.06Å; Y396-D398 PolarHBondContact O-N 3.13Å; Y396-H399 WeakPolarHBondContact O-CB 3.47Å; Y396-H399 PolarHBondContact O-N 2.98Å; Y396-H399 PolarHBondContact O-ND1 3.12Å |
| 397 | V | 80.5 | Confident | 80.2 | Confident | 46 Ų | 46 | 109.5 Ų | 109.5 | 28% | 0.279 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -55.1 | -37.2 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | Q391 L392 S394 D395 H399 W400 | Q391-V397 WeakPolarHBondContact O-CG2 3.35Å; L392-V397 WeakPolarHBondContact O-CG2 3.29Å; S394-V397 WeakPolarHBondContact O-CB 3.37Å; S394-V397 VanDerWaalsContact O-CG2 3.29Å; S394-V397 WeakPolarHBondContact O-CG2 3.35Å; S394-V397 PolarHBondContact O-N 2.82Å; D395-V397 VanDerWaalsContact C-N 3.3Å; V397-H399 PolarHBondContact O-N 3.41Å; V397-W400 WeakPolarHBondContact O-CB 3.43Å; V397-W400 PolarHBondContact O-N 3.15Å |
| 398 | D | 77.3 | Confident | 79.8 | Confident | 133 Ų | 133 | 107.9 Ų | 107.9 | 71% | 0.711 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -60.9 | -13.3 | 176.8 | -67.9 | -8.8 | 0 | 0 | 0 | 113.8 | Y396 | Y396-D398 PolarHBondContact O-N 3.13Š|
| 399 | H | 76 | Confident | 79.6 | Confident | 143 Ų | 143 | 107.9 Ų | 107.9 | 66% | 0.662 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -98 | -6.7 | 177.8 | -55.1 | 73.1 | 0 | 0 | 0 | 113.1 | Y396 V397 | Y396-H399 WeakPolarHBondContact O-CB 3.47Å; Y396-H399 PolarHBondContact O-N 2.98Å; Y396-H399 PolarHBondContact O-ND1 3.12Å; V397-H399 PolarHBondContact O-N 3.41Å |
| 400 | W | 78.2 | Confident | 79.4 | Confident | 183 Ų | 183 | 110.7 Ų | 110.7 | 69% | 0.693 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -38.7 | 178.2 | -70.6 | 57.2 | 0 | 0 | 0 | 110.7 | V397 | V397-W400 WeakPolarHBondContact O-CB 3.43Å; V397-W400 PolarHBondContact O-N 3.15Å |
| 401 | D | 77.1 | Confident | 79.3 | Confident | 122 Ų | 122 | 112.1 Ų | 112.1 | 65% | 0.652 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -90.8 | 132.4 | 172.2 | -68.9 | -27.4 | 0 | 0 | 0 | 109.1 | ||
| 402 | P | 70 | Confident | 79.1 | Confident | 85 Ų | 85 | 110.6 Ų | 110.6 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 129.7 | 171.8 | 24.8 | -30.9 | 0 | 0 | 0 | 108.4 | S404 Y408 | P402-S404 PolarHBondContact O-N 3.25Å; P402-Y408 HydrophobicContact CB-CD1 4.39Å; P402-Y408 HydrophobicContact CB-CE1 3.73Å |
| 403 | P | 72.5 | Confident | 79.1 | Confident | 58 Ų | 58 | 111 Ų | 111 | 38% | 0.377 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 137.6 | 179 | 23.6 | -32 | 0 | 0 | 0 | 109.5 | D405 Y408 | P403-D405 PolarHBondContact O-N 3.13Å; P403-Y408 HydrophobicContact CG-CD1 3.93Å; P403-Y408 HydrophobicContact CG-CD2 3.61Å; P403-Y408 HydrophobicContact CG-CE1 4.38Å; P403-Y408 HydrophobicContact CG-CE2 4.09Å; P403-Y408 HydrophobicContact CG-CG 3.52Å |
| 404 | S | 72.3 | Confident | 79.2 | Confident | 124 Ų | 124 | 109.6 Ų | 109.6 | 87% | 0.867 | 56% | 0.555 | S | S | * | * | trans | -69.3 | 13.3 | 178.5 | -53.2 | 0 | 0 | 0 | 0 | 114.1 | P402 | P402-S404 PolarHBondContact O-N 3.25Š| ||
| 405 | D | 79.5 | Confident | 79.1 | Confident | 113 Ų | 113 | 115.1 Ų | 115.1 | 60% | 0.604 | 57% | 0.572 | S | S | * | * | trans | -77.2 | 124.6 | 179.8 | -82 | -18 | 0 | 0 | 0 | 110 | P403 N407 Y408 M409 | P403-D405 PolarHBondContact O-N 3.13Å; D405-N407 PolarHBondContact O-N 3.49Å; D405-N407 VanDerWaalsContact O-N 3.1Å; D405-Y408 WeakPolarHBondContact O-CA 3.46Å; D405-Y408 VanDerWaalsContact O-CB 3.3Å; D405-Y408 WeakPolarHBondContact O-CB 3.49Å; D405-Y408 PolarHBondContact O-N 2.97Å; D405-M409 PolarHBondContact O-N 3.29Å | ||
| 406 | D | 78.1 | Confident | 79.1 | Confident | 143 Ų | 143 | 116 Ų | 116 | 77% | 0.765 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -53.9 | -33.7 | 176.1 | -68 | -30.8 | 0 | 0 | 0 | 112.1 | Y408 M409 E410 | D406-Y408 VanDerWaalsContact C-N 3.33Å; D406-Y408 PolarHBondContact O-N 3.45Å; D406-M409 WeakPolarHBondContact O-CB 3.4Å; D406-M409 PolarHBondContact O-N 3.49Å; D406-E410 PolarHBondContact O-N 2.86Å |
| 407 | N | 80 | Confident | 79.4 | Confident | 100 Ų | 100 | 114.2 Ų | 114.2 | 54% | 0.535 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -33.6 | 175.6 | -171.4 | 8.2 | 0 | 0 | 0 | 112.3 | D405 N411 | D405-N407 PolarHBondContact O-N 3.49Å; D405-N407 VanDerWaalsContact O-N 3.1Å; N407-N411 WeakPolarHBondContact O-CB 3.22Å; N407-N411 VanDerWaalsContact O-CG 3.31Å; N407-N411 PolarHBondContact O-N 3.38Å; N407-N411 PolarHBondContact O-ND2 2.88Å; N407-N411 PolarHBondContact OD1-ND2 3.17Å |
| 408 | Y | 77.4 | Confident | 79.4 | Confident | 97 Ų | 97 | 116.4 Ų | 116.4 | 38% | 0.38 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.7 | -43.3 | 173.6 | 179 | -99.3 | 0 | 0 | 0 | 110.6 | P402 P403 D405 D406 N411 L412 | P402-Y408 HydrophobicContact CB-CD1 4.39Å; P402-Y408 HydrophobicContact CB-CE1 3.73Å; P403-Y408 HydrophobicContact CG-CD1 3.93Å; P403-Y408 HydrophobicContact CG-CD2 3.61Å; P403-Y408 HydrophobicContact CG-CE1 4.38Å; P403-Y408 HydrophobicContact CG-CE2 4.09Å; P403-Y408 HydrophobicContact CG-CG 3.52Å; D405-Y408 WeakPolarHBondContact O-CA 3.46Å; D405-Y408 VanDerWaalsContact O-CB 3.3Å; D405-Y408 WeakPolarHBondContact O-CB 3.49Å; D405-Y408 PolarHBondContact O-N 2.97Å; D406-Y408 VanDerWaalsContact C-N 3.33Å; D406-Y408 PolarHBondContact O-N 3.45Å; Y408-N411 PolarHBondContact O-N 3.2Å; Y408-L412 HydrophobicContact CD1-CD1 4.38Å; Y408-L412 HydrophobicContact CE1-CD1 3.63Å; Y408-L412 WeakPolarHBondContact O-CB 3.34Å; Y408-L412 PolarHBondContact O-N 2.87Å |
| 409 | M | 78.5 | Confident | 79.5 | Confident | 88 Ų | 88 | 115.7 Ų | 115.7 | 43% | 0.433 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.2 | -44.3 | 176.5 | -69.9 | -58.5 | -60.1 | 0 | 0 | 112.2 | D405 D406 N411 L412 E413 | D405-M409 PolarHBondContact O-N 3.29Å; D406-M409 WeakPolarHBondContact O-CB 3.4Å; D406-M409 PolarHBondContact O-N 3.49Å; M409-N411 PolarHBondContact O-N 2.92Å; M409-L412 PolarHBondContact O-N 3.4Å; M409-E413 PolarHBondContact O-N 3.15Å |
| 410 | E | 82.3 | Confident | 79.7 | Confident | 134 Ų | 134 | 116.6 Ų | 116.6 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.3 | -43 | 176.4 | -169 | 179.5 | -177.9 | 0 | 0 | 111.8 | D406 L412 E413 K414 | D406-E410 PolarHBondContact O-N 2.86Å; E410-L412 VanDerWaalsContact C-N 3.32Å; E410-L412 PolarHBondContact O-N 3.14Å; E410-E413 PolarHBondContact O-N 3.35Å; E410-K414 WeakPolarHBondContact O-CB 3.27Å; E410-K414 PolarHBondContact O-N 3.28Å |
| 411 | N | 83.3 | Confident | 79.6 | Confident | 85 Ų | 85 | 113.8 Ų | 113.8 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.3 | -35 | 175.1 | -76.1 | -50.5 | 0 | 0 | 0 | 112.6 | N407 Y408 M409 Y415 | N407-N411 WeakPolarHBondContact O-CB 3.22Å; N407-N411 VanDerWaalsContact O-CG 3.31Å; N407-N411 PolarHBondContact O-N 3.38Å; N407-N411 PolarHBondContact O-ND2 2.88Å; N407-N411 PolarHBondContact OD1-ND2 3.17Å; Y408-N411 PolarHBondContact O-N 3.2Å; M409-N411 PolarHBondContact O-N 2.92Å; N411-Y415 WeakPolarHBondContact O-CB 3.36Å; N411-Y415 PolarHBondContact O-N 3.06Å |
| 412 | L | 81.3 | Confident | 79.2 | Confident | 51 Ų | 51 | 110.9 Ų | 110.9 | 27% | 0.267 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.5 | -41.4 | 177.3 | -151.3 | 165.9 | 0 | 0 | 0 | 110.7 | Y408 M409 E410 Y415 R416 | Y408-L412 HydrophobicContact CD1-CD1 4.38Å; Y408-L412 HydrophobicContact CE1-CD1 3.63Å; Y408-L412 WeakPolarHBondContact O-CB 3.34Å; Y408-L412 PolarHBondContact O-N 2.87Å; M409-L412 PolarHBondContact O-N 3.4Å; E410-L412 VanDerWaalsContact C-N 3.32Å; E410-L412 PolarHBondContact O-N 3.14Å; L412-Y415 PolarHBondContact O-N 3.18Å; L412-R416 HydrophobicContact CD2-CG 4.13Å; L412-R416 WeakPolarHBondContact O-CG 3.44Å; L412-R416 PolarHBondContact O-N 3.11Å |
| 413 | E | 83.5 | Confident | 79.4 | Confident | 116 Ų | 116 | 116.4 Ų | 116.4 | 54% | 0.542 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.4 | -46.6 | 173 | -74.6 | -175.1 | 171.4 | 0 | 0 | 111.5 | M409 E410 Y415 R416 E417 | M409-E413 PolarHBondContact O-N 3.15Å; E410-E413 PolarHBondContact O-N 3.35Å; E413-Y415 VanDerWaalsContact C-N 3.32Å; E413-Y415 PolarHBondContact O-N 3.44Å; E413-R416 WeakPolarHBondContact O-CB 3.3Å; E413-R416 PolarHBondContact O-N 2.86Å; E413-R416 VanDerWaalsContact O-N 3.15Å; E413-E417 PolarHBondContact O-N 3.29Å |
| 414 | K | 86.1 | Confident | 79.4 | Confident | 135 Ų | 135 | 118.6 Ų | 118.6 | 59% | 0.587 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.8 | -40.8 | 174.3 | -173.3 | 177.5 | -177.7 | 177.6 | 0 | 112.4 | E410 E417 V418 | E410-K414 WeakPolarHBondContact O-CB 3.27Å; E410-K414 PolarHBondContact O-N 3.28Å; K414-E417 PolarHBondContact O-N 3.16Å; K414-V418 VanDerWaalsContact O-CG2 3.29Å; K414-V418 WeakPolarHBondContact O-CG2 3.46Å; K414-V418 PolarHBondContact O-N 3.39Å |
| 415 | Y | 84.2 | Confident | 79.3 | Confident | 152 Ų | 152 | 116.8 Ų | 116.8 | 60% | 0.596 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.3 | -39.8 | 176.2 | -172.3 | -99.8 | 0 | 0 | 0 | 111.8 | N411 L412 E413 V418 L419 | N411-Y415 WeakPolarHBondContact O-CB 3.36Å; N411-Y415 PolarHBondContact O-N 3.06Å; L412-Y415 PolarHBondContact O-N 3.18Å; E413-Y415 VanDerWaalsContact C-N 3.32Å; E413-Y415 PolarHBondContact O-N 3.44Å; Y415-V418 PolarHBondContact O-N 3.35Å; Y415-L419 HydrophobicContact CD1-CD1 3.85Å; Y415-L419 HydrophobicContact CD1-CG 4.35Å; Y415-L419 HydrophobicContact CE1-CD1 3.43Å; Y415-L419 VanDerWaalsContact CE1-CD1 3.43Å; Y415-L419 HydrophobicContact CE1-CG 4.05Å; Y415-L419 WeakPolarHBondContact O-CG 3.2Å; Y415-L419 PolarHBondContact O-N 3.46Å |
| 416 | R | 84 | Confident | 78.3 | Confident | 162 Ų | 162 | 118.3 Ų | 118.3 | 61% | 0.611 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.1 | -42.5 | 173.5 | -75.5 | -171.3 | -171.2 | -148.1 | 4.9 | 112.2 | L412 E413 V418 L419 Q420 | L412-R416 HydrophobicContact CD2-CG 4.13Å; L412-R416 WeakPolarHBondContact O-CG 3.44Å; L412-R416 PolarHBondContact O-N 3.11Å; E413-R416 WeakPolarHBondContact O-CB 3.3Å; E413-R416 PolarHBondContact O-N 2.86Å; E413-R416 VanDerWaalsContact O-N 3.15Å; R416-V418 VanDerWaalsContact C-N 3.35Å; R416-L419 PolarHBondContact O-N 3.27Å; R416-Q420 WeakPolarHBondContact O-CG 3.49Å; R416-Q420 PolarHBondContact O-N 3.11Å |
| 417 | E | 86 | Confident | 77.2 | Confident | 128 Ų | 128 | 116.7 Ų | 116.7 | 60% | 0.598 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.4 | -47.2 | 176.4 | -173.5 | -179.4 | -166.1 | 0 | 0 | 110.6 | E413 K414 L419 Q420 M421 | E413-E417 PolarHBondContact O-N 3.29Å; K414-E417 PolarHBondContact O-N 3.16Å; E417-L419 VanDerWaalsContact C-N 3.27Å; E417-L419 PolarHBondContact O-N 3.47Å; E417-Q420 CarbonylContact O-C 3.37Å; E417-Q420 PolarHBondContact O-N 3.06Å; E417-M421 WeakPolarHBondContact O-CG 3.49Å; E417-M421 PolarHBondContact O-N 2.9Å |
| 418 | V | 80.9 | Confident | 76.2 | Confident | 93 Ų | 93 | 116.2 Ų | 116.2 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.3 | -36.1 | 176.4 | 172.2 | 0 | 0 | 0 | 0 | 112.3 | K414 Y415 R416 M421 | K414-V418 VanDerWaalsContact O-CG2 3.29Å; K414-V418 WeakPolarHBondContact O-CG2 3.46Å; K414-V418 PolarHBondContact O-N 3.39Å; Y415-V418 PolarHBondContact O-N 3.35Å; R416-V418 VanDerWaalsContact C-N 3.35Å; V418-M421 PolarHBondContact O-N 2.85Å |
| 419 | L | 78 | Confident | 74.9 | Confident | 117 Ų | 117 | 117.4 Ų | 117.4 | 61% | 0.613 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.3 | -27.4 | 175.1 | -72.4 | -179.8 | 0 | 0 | 0 | 113.4 | Y415 R416 E417 | Y415-L419 HydrophobicContact CD1-CD1 3.85Å; Y415-L419 HydrophobicContact CD1-CG 4.35Å; Y415-L419 HydrophobicContact CE1-CD1 3.43Å; Y415-L419 VanDerWaalsContact CE1-CD1 3.43Å; Y415-L419 HydrophobicContact CE1-CG 4.05Å; Y415-L419 WeakPolarHBondContact O-CG 3.2Å; Y415-L419 PolarHBondContact O-N 3.46Å; R416-L419 PolarHBondContact O-N 3.27Å; E417-L419 VanDerWaalsContact C-N 3.27Å; E417-L419 PolarHBondContact O-N 3.47Å |
| 420 | Q | 80.7 | Confident | 73.4 | Confident | 163 Ų | 163 | 119.8 Ų | 119.8 | 76% | 0.762 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.1 | -20.7 | 173.9 | -73 | 179 | 1.9 | 0 | 0 | 112.5 | R416 E417 | R416-Q420 WeakPolarHBondContact O-CG 3.49Å; R416-Q420 PolarHBondContact O-N 3.11Å; E417-Q420 CarbonylContact O-C 3.37Å; E417-Q420 PolarHBondContact O-N 3.06Å |
| 421 | M | 77 | Confident | 71.6 | Confident | 123 Ų | 123 | 121.2 Ų | 121.2 | 61% | 0.606 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -62.6 | 133.3 | 175.2 | -71.4 | -63.3 | -74.2 | 0 | 0 | 110.7 | E417 V418 R423 | E417-M421 WeakPolarHBondContact O-CG 3.49Å; E417-M421 PolarHBondContact O-N 2.9Å; V418-M421 PolarHBondContact O-N 2.85Å; M421-R423 PolarHBondContact O-N 2.9Å |
| 422 | P | 68.4 | Low | 69.8 | Low | 62 Ų | 62 | 123.9 Ų | 123.9 | 40% | 0.403 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 141.4 | 176.1 | 24 | -32 | 0 | 0 | 0 | 110.1 | A424 K426 | P422-A424 PolarHBondContact O-N 2.74Å; P422-K426 HydrophobicContact CB-CB 4.44Å |
| 423 | R | 74.5 | Confident | 67.8 | Low | 200 Ų | 200 | 130.3 Ų | 130.3 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 132.1 | 178.1 | -164 | 177.5 | -173.3 | 177.5 | 4.5 | 110.2 | M421 G425 K426 | M421-R423 PolarHBondContact O-N 2.9Å; R423-G425 PolarHBondContact O-N 3.15Å; R423-K426 PolarHBondContact O-N 3.09Å; R423-K426 VanDerWaalsContact O-N 3.08Å |
| 424 | A | 70.7 | Confident | 65.9 | Low | 105 Ų | 105 | 129.4 Ų | 129.4 | 87% | 0.868 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.4 | 125.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | P422 | P422-A424 PolarHBondContact O-N 2.74Š|
| 425 | G | 71.3 | Confident | 64.4 | Low | 85 Ų | 85 | 127.8 Ų | 127.8 | 88% | 0.876 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.8 | -3.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R423 | R423-G425 PolarHBondContact O-N 3.15Š|
| 426 | K | 59.2 | Low | 62.7 | Low | 145 Ų | 145 | 127.9 Ų | 127.9 | 63% | 0.63 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -94.6 | 130.6 | 165.3 | -63.5 | -175 | 177.6 | -171 | 0 | 108.8 | P422 R423 S428 | P422-K426 HydrophobicContact CB-CB 4.44Å; R423-K426 PolarHBondContact O-N 3.09Å; R423-K426 VanDerWaalsContact O-N 3.08Å; K426-S428 PolarHBondContact O-N 3.3Å |
| 427 | P | 53.8 | Low | 61 | Low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 69% | 0.693 | S | S | * | * | trans | -56.9 | 141.9 | 172.2 | 25.4 | -32.1 | 0 | 0 | 0 | 108.5 | T429 | P427-T429 VanDerWaalsContact C-N 3.3Å; P427-T429 PolarHBondContact O-N 3.44Å | ||
| 428 | S | 58.4 | Low | 59 | Low | 90 Ų | 90 | 124.5 Ų | 124.5 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | trans | -57.6 | 101.7 | 164.6 | 48.6 | 0 | 0 | 0 | 0 | 106.2 | K426 D430 | K426-S428 PolarHBondContact O-N 3.3Å; S428-D430 PolarHBondContact O-N 3.02Å | ||
| 429 | T | 50.9 | Low | 57.8 | Low | 122 Ų | 122 | 124.6 Ų | 124.6 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | -58.9 | 116.3 | 167.9 | -45.2 | 0 | 0 | 0 | 0 | 104.7 | P427 L431 | P427-T429 VanDerWaalsContact C-N 3.3Å; P427-T429 PolarHBondContact O-N 3.44Å; T429-L431 PolarHBondContact O-N 2.96Å | ||
| 430 | D | 46.5 | Very low | 56.9 | Low | 138 Ų | 138 | 121.6 Ų | 121.6 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | trans | -45.6 | 119.6 | 173.2 | -68.5 | -38.8 | 0 | 0 | 0 | 106.7 | S428 I432 | S428-D430 PolarHBondContact O-N 3.02Å; D430-I432 PolarHBondContact O-N 3.26Å | ||
| 431 | L | 45.6 | Very low | 56.1 | Low | 164 Ų | 164 | 117.8 Ų | 117.8 | 86% | 0.859 | 67% | 0.669 | S | S | * | * | trans | -57.1 | 96.2 | 174.4 | -77.8 | 159.8 | 0 | 0 | 0 | 105.6 | T429 F433 | T429-L431 PolarHBondContact O-N 2.96Å; L431-F433 PolarHBondContact O-N 3.43Å | ||
| 432 | I | 44.4 | Very low | 55.7 | Low | 142 Ų | 142 | 114.5 Ų | 114.5 | 73% | 0.728 | 66% | 0.662 | S | S | * | * | trans | -63.7 | 93.9 | 162.6 | -62.8 | 173.5 | 0 | 0 | 0 | 103 | D430 N434 | D430-I432 PolarHBondContact O-N 3.26Å; I432-N434 PolarHBondContact O-N 3.37Å | ||
| 433 | F | 40.7 | Very low | 55.9 | Low | 186 Ų | 186 | 116.8 Ų | 116.8 | 82% | 0.816 | 67% | 0.67 | S | S | * | * | trans | -62.2 | 92.9 | 170.2 | -142.6 | -89.3 | 0 | 0 | 0 | 104.7 | L431 P435 | L431-F433 PolarHBondContact O-N 3.43Å; F433-P435 WeakPolarHBondContact O-CD 3.42Å | ||
| 434 | N | 42.1 | Very low | 55.8 | Low | 96 Ų | 96 | 111.9 Ų | 111.9 | 51% | 0.513 | 66% | 0.655 | S | S | . | * | trans | -72.3 | 109.8 | 171.5 | -111.4 | -19.4 | 0 | 0 | 0 | 106.3 | I432 D436 E437 | I432-N434 PolarHBondContact O-N 3.37Å; N434-D436 PolarHBondContact O-N 2.96Å; N434-E437 HydrophobicContact CB-CB 4.44Å; N434-E437 PolarHBondContact O-N 3.49Å | ||
| 435 | P | 54.7 | Low | 55.9 | Low | 101 Ų | 101 | 113.2 Ų | 113.2 | 66% | 0.656 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -17.2 | 179.3 | 28.4 | -34.1 | 0 | 0 | 0 | 112.7 | F433 | F433-P435 WeakPolarHBondContact O-CD 3.42Š|
| 436 | D | 49.5 | Very low | 55.8 | Low | 155 Ų | 155 | 115.9 Ų | 115.9 | 83% | 0.829 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -12.7 | -178.2 | -65.3 | -18.6 | 0 | 0 | 0 | 113.5 | N434 A438 | N434-D436 PolarHBondContact O-N 2.96Å; D436-A438 VanDerWaalsContact C-N 3.34Å; D436-A438 PolarHBondContact O-N 3.31Å |
| 437 | E | 46.9 | Very low | 56.5 | Low | 142 Ų | 142 | 118.2 Ų | 118.2 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | trans | -102.4 | 58.5 | 171.6 | -160 | 170.1 | -169 | 0 | 0 | 108.4 | N434 V439 | N434-E437 HydrophobicContact CB-CB 4.44Å; N434-E437 PolarHBondContact O-N 3.49Å; E437-V439 HydrophobicContact CG-CG2 4.09Å; E437-V439 PolarHBondContact O-N 2.98Å | ||
| 438 | A | 44.5 | Very low | 57.2 | Low | 76 Ų | 76 | 113.5 Ų | 113.5 | 63% | 0.628 | 60% | 0.596 | S | S | * | * | trans | -70.6 | 62.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | D436 L440 | D436-A438 VanDerWaalsContact C-N 3.34Å; D436-A438 PolarHBondContact O-N 3.31Å; A438-L440 VanDerWaalsContact C-N 3.34Å; A438-L440 PolarHBondContact O-N 3.05Å | ||
| 439 | V | 55.7 | Low | 57.8 | Low | 96 Ų | 96 | 116 Ų | 116 | 58% | 0.582 | 60% | 0.6 | S | S | * | * | trans | -58.6 | 104.4 | 162.1 | 176.6 | 0 | 0 | 0 | 0 | 105.4 | E437 P441 | E437-V439 HydrophobicContact CG-CG2 4.09Å; E437-V439 PolarHBondContact O-N 2.98Å; V439-P441 VanDerWaalsContact O-N 3.16Å | ||
| 440 | L | 58.7 | Low | 58.8 | Low | 53 Ų | 53 | 117.5 Ų | 117.5 | 28% | 0.277 | 60% | 0.602 | S | S | . | * | trans | -48.3 | 127.5 | -176.3 | -61 | 177.7 | 0 | 0 | 0 | 108.9 | A438 A442 Q444 I458 | A438-L440 VanDerWaalsContact C-N 3.34Å; A438-L440 PolarHBondContact O-N 3.05Å; L440-A442 PolarHBondContact O-N 2.91Å; L440-Q444 HydrophobicContact CB-CB 4.25Å; L440-Q444 HydrophobicContact CB-CG 4.38Å; L440-Q444 HydrophobicContact CD1-CG 4.37Å; L440-I458 HydrophobicContact CD1-CD1 4.13Å; L440-I458 HydrophobicContact CD1-CG1 4.32Å | ||
| 441 | P | 64.7 | Low | 59.9 | Low | 84 Ų | 84 | 112.4 Ų | 112.4 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | trans | -49.7 | 144.8 | -179.7 | -26 | 31.3 | 0 | 0 | 0 | 110.2 | V439 I443 Q444 R445 | V439-P441 VanDerWaalsContact O-N 3.16Å; P441-I443 PolarHBondContact O-N 3.41Å; P441-Q444 WeakPolarHBondContact O-CA 3.25Å; P441-Q444 WeakPolarHBondContact O-CB 3.32Å; P441-Q444 PolarHBondContact O-N 3.47Å; P441-R445 PolarHBondContact O-N 3.39Å | ||
| 442 | A | 67.9 | Low | 60.8 | Low | 54 Ų | 54 | 109.3 Ų | 109.3 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -53.5 | -24.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L440 R446 | L440-A442 PolarHBondContact O-N 2.91Å; A442-R446 PolarHBondContact O-N 3.47Å |
| 443 | I | 74.1 | Confident | 61.9 | Low | 110 Ų | 110 | 110.4 Ų | 110.4 | 56% | 0.564 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.1 | -40.9 | 173.2 | -67 | 168.7 | 0 | 0 | 0 | 111.8 | P441 R446 R447 | P441-I443 PolarHBondContact O-N 3.41Å; I443-R446 PolarHBondContact O-N 3.06Å; I443-R447 PolarHBondContact O-N 3.05Å |
| 444 | Q | 72.3 | Confident | 62.9 | Low | 97 Ų | 97 | 105.6 Ų | 105.6 | 45% | 0.453 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.6 | -37.8 | 178.1 | -170.9 | 168.8 | 6.7 | 0 | 0 | 111.6 | L440 P441 R446 R447 A448 | L440-Q444 HydrophobicContact CB-CB 4.25Å; L440-Q444 HydrophobicContact CB-CG 4.38Å; L440-Q444 HydrophobicContact CD1-CG 4.37Å; P441-Q444 WeakPolarHBondContact O-CA 3.25Å; P441-Q444 WeakPolarHBondContact O-CB 3.32Å; P441-Q444 PolarHBondContact O-N 3.47Å; Q444-R446 VanDerWaalsContact C-N 3.33Å; Q444-R446 PolarHBondContact O-N 3.28Å; Q444-R447 PolarHBondContact O-N 2.89Å; Q444-A448 WeakPolarHBondContact O-CB 3.41Å; Q444-A448 PolarHBondContact O-N 3.43Å |
| 445 | R | 71.6 | Confident | 64.2 | Low | 132 Ų | 132 | 103.3 Ų | 103.3 | 50% | 0.498 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 169 | -76.6 | -170.9 | -79.9 | 171.9 | -5.4 | 111.8 | P441 A448 M449 | P441-R445 PolarHBondContact O-N 3.39Å; R445-A448 PolarHBondContact O-N 3.25Å; R445-M449 WeakPolarHBondContact O-CG 3.31Å; R445-M449 PolarHBondContact O-N 3.27Å |
| 446 | R | 70.4 | Confident | 64.6 | Low | 141 Ų | 141 | 101.2 Ų | 101.2 | 53% | 0.532 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 174.1 | -84.6 | -171.3 | -82.8 | -176.2 | -5.5 | 112.8 | A442 I443 Q444 A448 M449 L450 | A442-R446 PolarHBondContact O-N 3.47Å; I443-R446 PolarHBondContact O-N 3.06Å; Q444-R446 VanDerWaalsContact C-N 3.33Å; Q444-R446 PolarHBondContact O-N 3.28Å; R446-A448 VanDerWaalsContact C-N 3.32Å; R446-A448 PolarHBondContact O-N 3.43Å; R446-M449 PolarHBondContact O-N 3.02Å; R446-L450 WeakPolarHBondContact O-CG 3.4Å; R446-L450 PolarHBondContact O-N 3.02Å |
| 447 | R | 73.6 | Confident | 65.4 | Low | 194 Ų | 194 | 99.9 Ų | 99.9 | 73% | 0.732 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61 | -40.4 | 174 | -83.9 | -175.4 | 176.3 | 172.6 | -1 | 112.1 | I443 Q444 L450 G451 | I443-R447 PolarHBondContact O-N 3.05Å; Q444-R447 PolarHBondContact O-N 2.89Å; R447-L450 PolarHBondContact O-N 2.74Å; R447-G451 PolarHBondContact O-N 3.49Å; R447-G451 VanDerWaalsContact O-N 3.13Å |
| 448 | A | 68.2 | Low | 66 | Low | 10 Ų | 10 | 95.2 Ų | 95.2 | 8% | 0.083 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q444 R445 R446 L450 G451 N454 V455 I458 | Q444-A448 WeakPolarHBondContact O-CB 3.41Å; Q444-A448 PolarHBondContact O-N 3.43Å; R445-A448 PolarHBondContact O-N 3.25Å; R446-A448 VanDerWaalsContact C-N 3.32Å; R446-A448 PolarHBondContact O-N 3.43Å; A448-L450 VanDerWaalsContact C-N 3.26Å; A448-L450 PolarHBondContact O-N 3.1Å; A448-G451 CarbonylContact O-C 3.59Å; A448-G451 PolarHBondContact O-N 3.06Å; A448-G451 VanDerWaalsContact O-N 3.16Å; A448-N454 HydrophobicContact CB-CB 4.05Å; A448-V455 VanDerWaalsContact O-CG2 3.25Å; A448-V455 WeakPolarHBondContact O-CG2 3.41Å; A448-I458 HydrophobicContact CB-CD1 3.22Å |
| 449 | M | 70.1 | Confident | 66.7 | Low | 142 Ų | 142 | 97.8 Ų | 97.8 | 70% | 0.7 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.6 | -31.2 | 172.1 | -70.1 | -140 | -51.3 | 0 | 0 | 113.3 | R445 R446 | R445-M449 WeakPolarHBondContact O-CG 3.31Å; R445-M449 PolarHBondContact O-N 3.27Å; R446-M449 PolarHBondContact O-N 3.02Å |
| 450 | L | 73.4 | Confident | 67 | Low | 154 Ų | 154 | 99.5 Ų | 99.5 | 81% | 0.806 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -74.8 | -28.2 | 174.6 | -70.2 | 167.1 | 0 | 0 | 0 | 112.2 | R446 R447 A448 | R446-L450 WeakPolarHBondContact O-CG 3.4Å; R446-L450 PolarHBondContact O-N 3.02Å; R447-L450 PolarHBondContact O-N 2.74Å; A448-L450 VanDerWaalsContact C-N 3.26Å; A448-L450 PolarHBondContact O-N 3.1Å |
| 451 | G | 67.9 | Low | 66.7 | Low | 31 Ų | 31 | 103.9 Ų | 103.9 | 32% | 0.32 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -93.8 | 98.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R447 A448 H453 N454 | R447-G451 PolarHBondContact O-N 3.49Å; R447-G451 VanDerWaalsContact O-N 3.13Å; A448-G451 CarbonylContact O-C 3.59Å; A448-G451 PolarHBondContact O-N 3.06Å; A448-G451 VanDerWaalsContact O-N 3.16Å; G451-H453 PolarHBondContact O-N 3.42Å; G451-N454 PolarHBondContact O-N 3.37Å |
| 452 | S | 66.3 | Low | 65.9 | Low | 99 Ų | 99 | 106.2 Ų | 106.2 | 69% | 0.692 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.8 | -26.5 | -177.5 | 60.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 453 | H | 66 | Low | 64.8 | Low | 165 Ų | 165 | 110.4 Ų | 110.4 | 76% | 0.764 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -20.2 | -177.2 | -71.7 | 45.8 | 0 | 0 | 0 | 114.2 | G451 | G451-H453 PolarHBondContact O-N 3.42Š|
| 454 | N | 62.2 | Low | 62.8 | Low | 86 Ų | 86 | 111.2 Ų | 111.2 | 46% | 0.46 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99 | -5.9 | -174 | -75.5 | 52.3 | 0 | 0 | 0 | 113.7 | A448 G451 I458 | A448-N454 HydrophobicContact CB-CB 4.05Å; G451-N454 PolarHBondContact O-N 3.37Å; N454-I458 WeakPolarHBondContact O-CG1 3.44Å |
| 455 | V | 69.9 | Low | 60.9 | Low | 47 Ų | 47 | 112.6 Ų | 112.6 | 29% | 0.285 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.6 | -43.7 | -178.3 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | A448 I458 M459 | A448-V455 VanDerWaalsContact O-CG2 3.25Å; A448-V455 WeakPolarHBondContact O-CG2 3.41Å; V455-I458 PolarHBondContact O-N 2.96Å; V455-M459 HydrophobicContact CG1-SD 4.04Å; V455-M459 WeakPolarHBondContact O-CG 3.37Å; V455-M459 PolarHBondContact O-N 2.97Å |
| 456 | A | 63.5 | Low | 59.2 | Low | 58 Ų | 58 | 113.2 Ų | 113.2 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.5 | -42.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I458 M459 D460 | A456-I458 PolarHBondContact O-N 3.38Å; A456-M459 PolarHBondContact O-N 2.96Å; A456-D460 PolarHBondContact O-N 3.4Å |
| 457 | E | 65.4 | Low | 57.7 | Low | 127 Ų | 127 | 112.7 Ų | 112.7 | 59% | 0.593 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.5 | -29.6 | -179.9 | -171 | 179 | -173 | 0 | 0 | 112.8 | ||
| 458 | I | 60.1 | Low | 55.8 | Low | 44 Ų | 44 | 110.6 Ų | 110.6 | 23% | 0.226 | 62% | 0.62 | C | S | . | * | H | α-helix | trans | -82.6 | -33 | 177.2 | -59.5 | 172.1 | 0 | 0 | 0 | 111.3 | L440 A448 N454 V455 A456 | L440-I458 HydrophobicContact CD1-CD1 4.13Å; L440-I458 HydrophobicContact CD1-CG1 4.32Å; A448-I458 HydrophobicContact CB-CD1 3.22Å; N454-I458 WeakPolarHBondContact O-CG1 3.44Å; V455-I458 PolarHBondContact O-N 2.96Å; A456-I458 PolarHBondContact O-N 3.38Å |
| 459 | M | 59.3 | Low | 54.3 | Low | 129 Ų | 129 | 120.9 Ų | 120.9 | 64% | 0.635 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.8 | -32.5 | 179.5 | -71 | -174.4 | 65.7 | 0 | 0 | 112.8 | V455 A456 Q461 D462 | V455-M459 HydrophobicContact CG1-SD 4.04Å; V455-M459 WeakPolarHBondContact O-CG 3.37Å; V455-M459 PolarHBondContact O-N 2.97Å; A456-M459 PolarHBondContact O-N 2.96Å; M459-Q461 PolarHBondContact O-N 3.07Å; M459-Q461 VanDerWaalsContact O-N 3.15Å; M459-D462 PolarHBondContact O-N 2.97Å |
| 460 | D | 61.5 | Low | 52.7 | Low | 133 Ų | 133 | 120.4 Ų | 120.4 | 71% | 0.711 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -6.5 | -179.4 | -72 | -15.8 | 0 | 0 | 0 | 113.5 | A456 | A456-D460 PolarHBondContact O-N 3.4Š|
| 461 | Q | 52.9 | Low | 51 | Low | 145 Ų | 145 | 120.2 Ų | 120.2 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -14.2 | 177.7 | -66.8 | -176.3 | 3.6 | 0 | 0 | 113.6 | M459 | M459-Q461 PolarHBondContact O-N 3.07Å; M459-Q461 VanDerWaalsContact O-N 3.15Å |
| 462 | D | 47.7 | Very low | 49.2 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -105 | 50.8 | -176.2 | -72.4 | -27.2 | 0 | 0 | 0 | 111.5 | M459 | M459-D462 PolarHBondContact O-N 2.97Š|
| 463 | D | 44.9 | Very low | 47.7 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | trans | -151.9 | 133.1 | 168.8 | -90.5 | -36.5 | 0 | 0 | 0 | 112.5 | ||||
| 464 | C | 31.5 | Very low | 46 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 85% | 0.851 | 69% | 0.688 | S | S | * | * | trans | 88.3 | 80.2 | 165.2 | -49.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 465 | S | 33.6 | Very low | 44.4 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 88% | 0.881 | 70% | 0.702 | S | S | * | * | trans | -140.4 | 76.5 | 133.4 | 53.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 466 | D | 34.4 | Very low | 42.7 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | trans | -119 | 88.2 | 167.9 | -154.3 | 19.2 | 0 | 0 | 0 | 106.2 | ||||
| 467 | T | 39.2 | Very low | 41 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | -142.6 | 81.9 | 167.1 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | Y469 | T467-Y469 PolarHBondContact O-N 2.82Š| ||
| 468 | D | 33.5 | Very low | 39.2 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 80% | 0.802 | 74% | 0.737 | S | S | * | * | trans | -81.6 | 92 | 155 | -64.9 | -20.3 | 0 | 0 | 0 | 107.5 | ||||
| 469 | Y | 36.8 | Very low | 37.9 | Very low | 226 Ų | 226 | 149.6 Ų | 149.6 | 89% | 0.886 | 77% | 0.768 | S | S | * | * | trans | -132.8 | 111.6 | 164.2 | -109.1 | -86.9 | 0 | 0 | 0 | 111 | T467 | T467-Y469 PolarHBondContact O-N 2.82Š| ||
| 470 | D | 36.6 | Very low | 36.5 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -60.3 | 129.7 | 173.8 | -113.5 | -32.7 | 0 | 0 | 0 | 111.8 | ||||
| 471 | Q | 37.2 | Very low | 35.2 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | 45.2 | 113.1 | 134.3 | -67.1 | 175.7 | 51.2 | 0 | 0 | 120.2 | ||||
| 472 | N | 30.4 | Very low | 34 | Very low | 144 Ų | 144 | 149.5 Ų | 149.5 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | 63 | 87.5 | 127.1 | -58 | -38.4 | 0 | 0 | 0 | 117.5 | |||||
| 473 | I | 35.1 | Very low | 33.2 | Very low | 177 Ų | 177 | 151.4 Ų | 151.4 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | trans | -118.6 | 120.6 | 139.9 | -63 | 179.1 | 0 | 0 | 0 | 108.1 | ||||
| 474 | E | 30.9 | Very low | 32.7 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -69.4 | 132.3 | -175.6 | -161.6 | 171.4 | -168.9 | 0 | 0 | 111.8 | ||||
| 475 | Y | 29.2 | Very low | 32.5 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 20 | 121.3 | 155.4 | -75.4 | -91.5 | 0 | 0 | 0 | 120.3 | ||||
| 476 | N | 32.6 | Very low | 32.4 | Very low | 145 Ų | 145 | 155.2 Ų | 155.2 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | -163.9 | 112.4 | 117 | -94 | -51.9 | 0 | 0 | 0 | 112.1 | |||||
| 477 | N | 29.2 | Very low | 32 | Very low | 117 Ų | 117 | 159.9 Ų | 159.9 | 63% | 0.626 | 80% | 0.799 | S | S | * | * | trans | 54.3 | 115.5 | 138.6 | -57.4 | -28.2 | 0 | 0 | 0 | 121.4 | ||||
| 478 | D | 27.6 | Very low | 31.5 | Very low | 127 Ų | 127 | 164.7 Ų | 164.7 | 68% | 0.679 | 80% | 0.804 | S | S | * | * | 51.3 | 103 | 122.6 | -57.7 | -18.9 | 0 | 0 | 0 | 118.1 | |||||
| 479 | H | 31.5 | Very low | 31.5 | Very low | 191 Ų | 191 | 166.9 Ų | 166.9 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | -165 | 108 | 111.6 | -88.1 | -57.6 | 0 | 0 | 0 | 109.4 | S481 | H479-S481 PolarHBondContact O-N 3.13Š| |||
| 480 | L | 31 | Very low | 31.2 | Very low | 166 Ų | 166 | 159.9 Ų | 159.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -59.9 | 118 | 159 | -77 | 110.5 | 0 | 0 | 0 | 109 | ||||
| 481 | S | 33.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 160.6 Ų | 160.6 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -139.4 | 86.7 | 154.3 | -165.2 | 0 | 0 | 0 | 0 | 109.5 | H479 Q483 | H479-S481 PolarHBondContact O-N 3.13Å; S481-Q483 PolarHBondContact O-N 3.33Å | ||
| 482 | T | 28.6 | Very low | 30.8 | Very low | 127 Ų | 127 | 160.3 Ų | 160.3 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -66.3 | 108.7 | 158.7 | -56.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 483 | Q | 31.1 | Very low | 30.9 | Very low | 174 Ų | 174 | 162.3 Ų | 162.3 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -166.6 | 145.1 | 149.1 | -91 | -114.5 | 1.1 | 0 | 0 | 112.2 | S481 | S481-Q483 PolarHBondContact O-N 3.33Š| ||
| 484 | P | 34.3 | Very low | 30.9 | Very low | 110 Ų | 110 | 159.7 Ų | 159.7 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 128.5 | -157.8 | 34.6 | -30.5 | 0 | 0 | 0 | 112.9 | ||
| 485 | C | 27.3 | Very low | 30.9 | Very low | 135 Ų | 135 | 157.2 Ų | 157.2 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 125.6 | 172.2 | -96.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 486 | R | 30.1 | Very low | 31.2 | Very low | 228 Ų | 228 | 157.7 Ų | 157.7 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 152.4 | -176.1 | -70.4 | -179.3 | 170.4 | -165.3 | -1.7 | 113.7 | Y488 | R486-Y488 PolarHBondContact O-N 3.33Š|
| 487 | R | 26.7 | Very low | 31.2 | Very low | 244 Ų | 244 | 157 Ų | 157 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -24.1 | 118.5 | 159.1 | -66.1 | 177.3 | -174.9 | 170.5 | 0.8 | 114 | ||||
| 488 | Y | 29.3 | Very low | 31.6 | Very low | 230 Ų | 230 | 157 Ų | 157 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -81.6 | 119.7 | 157.3 | -80.3 | -85.2 | 0 | 0 | 0 | 109.7 | R486 | R486-Y488 PolarHBondContact O-N 3.33Š| ||
| 489 | K | 33 | Very low | 31.6 | Very low | 196 Ų | 196 | 162 Ų | 162 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | trans | -80.2 | 135.9 | 161.9 | -81.1 | -128.2 | 179.1 | -176.3 | 0 | 108.9 | ||||
| 490 | A | 31 | Very low | 31.9 | Very low | 80 Ų | 80 | 158.9 Ų | 158.9 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | trans | 29.8 | 117.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 491 | D | 29.4 | Very low | 32 | Very low | 148 Ų | 148 | 154.4 Ų | 154.4 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | -171.4 | 155 | 109.7 | -96.1 | -23.8 | 0 | 0 | 0 | 113.3 | |||||
| 492 | M | 35.2 | Very low | 31.9 | Very low | 143 Ų | 143 | 156.6 Ų | 156.6 | 70% | 0.704 | 79% | 0.792 | S | S | * | * | trans | 105.6 | 82.2 | 169.4 | -56 | -60 | 143.5 | 0 | 0 | 118.1 | ||||
| 493 | K | 32.2 | Very low | 32.2 | Very low | 185 Ų | 185 | 158.3 Ų | 158.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | 40.3 | 95.2 | 111 | -63.9 | 179.1 | -178.1 | 177.2 | 0 | 116.4 | |||||
| 494 | C | 34.8 | Very low | 32.3 | Very low | 123 Ų | 123 | 155.5 Ų | 155.5 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | -115.7 | 108.7 | 149.8 | -170.9 | 0 | 0 | 0 | 0 | 108 | R496 | C494-R496 PolarHBondContact O-N 3.2Š| ||
| 495 | T | 32.2 | Very low | 32.2 | Very low | 123 Ų | 123 | 155 Ų | 155 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -69.6 | 108.9 | 179.8 | -41.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 496 | R | 34.2 | Very low | 32.4 | Very low | 207 Ų | 207 | 153 Ų | 153 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -105.7 | 103.4 | 174.8 | -178.4 | 173.2 | 157.7 | 111.4 | -5.5 | 108.8 | C494 N498 | C494-R496 PolarHBondContact O-N 3.2Å; R496-N498 PolarHBondContact O-N 3.05Å; R496-N498 VanDerWaalsContact O-N 3.11Å | ||
| 497 | D | 32.2 | Very low | 32.3 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -65.1 | 101.8 | 172.9 | -66.1 | -37.8 | 0 | 0 | 0 | 110.3 | ||||
| 498 | N | 38.4 | Very low | 32.4 | Very low | 117 Ų | 117 | 146 Ų | 146 | 63% | 0.626 | 78% | 0.784 | S | S | * | * | trans | -130.2 | 90.8 | 163.6 | -98.6 | -7.6 | 0 | 0 | 0 | 107.9 | R496 V500 | R496-N498 PolarHBondContact O-N 3.05Å; R496-N498 VanDerWaalsContact O-N 3.11Å; N498-V500 PolarHBondContact O-N 3.08Å; N498-V500 VanDerWaalsContact O-N 3.07Å | ||
| 499 | Y | 27.3 | Very low | 32.2 | Very low | 232 Ų | 232 | 144.9 Ų | 144.9 | 91% | 0.91 | 78% | 0.779 | S | S | * | * | trans | -71.7 | 90.8 | 165.7 | -91.9 | -91.8 | 0 | 0 | 0 | 109.4 | ||||
| 500 | V | 37.1 | Very low | 31.9 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -119.1 | 103.8 | 152 | 179.2 | 0 | 0 | 0 | 0 | 105.6 | N498 I502 | N498-V500 PolarHBondContact O-N 3.08Å; N498-V500 VanDerWaalsContact O-N 3.07Å; V500-I502 PolarHBondContact O-N 3.17Å | ||
| 501 | G | 33.2 | Very low | 31.8 | Very low | 72 Ų | 72 | 147.6 Ų | 147.6 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -58.5 | 107.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L503 | G501-L503 PolarHBondContact O-N 3.15Š| ||
| 502 | I | 32.2 | Very low | 31.7 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -71.6 | 109.7 | 163.8 | -61.9 | 168.2 | 0 | 0 | 0 | 106.1 | V500 | V500-I502 PolarHBondContact O-N 3.17Š| ||
| 503 | L | 33.8 | Very low | 31.4 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 137.7 | 162.9 | -75.7 | 173.3 | 0 | 0 | 0 | 109 | G501 | G501-L503 PolarHBondContact O-N 3.15Š|
| 504 | P | 34 | Very low | 31.4 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 151.6 | -163.1 | -8.3 | 26.2 | 0 | 0 | 0 | 112.8 | ||
| 505 | A | 31.8 | Very low | 31.1 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 139.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 506 | A | 31.1 | Very low | 30.8 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 67.3 | 99.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 507 | T | 29.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | -131.2 | 114.9 | 132.6 | 44 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 508 | K | 27.7 | Very low | 30.5 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -66.7 | 124.8 | 166.9 | -64.6 | 174.6 | 177.8 | 178.5 | 0 | 108.2 | ||||
| 509 | Y | 24.9 | Very low | 30.2 | Very low | 208 Ų | 208 | 142.1 Ų | 142.1 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | -127 | 111.9 | 158.1 | -94.4 | -84.5 | 0 | 0 | 0 | 108.2 | ||||
| 510 | N | 28 | Very low | 30.1 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -87.1 | 131.1 | 160.3 | -68.5 | -32.8 | 0 | 0 | 0 | 106.9 | ||||
| 511 | H | 28.9 | Very low | 29.9 | Very low | 185 Ų | 185 | 140.9 Ų | 140.9 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -148 | 113.6 | 144.8 | -101.7 | -47.4 | 0 | 0 | 0 | 109.4 | ||||
| 512 | T | 27.2 | Very low | 29.4 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | -80.5 | 158.3 | 160.8 | 43.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 513 | D | 27.7 | Very low | 29.1 | Very low | 146 Ų | 146 | 141 Ų | 141 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | trans | 70.5 | 114.6 | 159.3 | -51.1 | -32 | 0 | 0 | 0 | 118 | ||||
| 514 | E | 33.5 | Very low | 28.9 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | -168.3 | 132.7 | 103.1 | -97.7 | -176.5 | -167.3 | 0 | 0 | 112.1 | |||||
| 515 | A | 28.1 | Very low | 28.4 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -101.4 | 113.3 | 170 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 516 | Y | 25.9 | Very low | 28.2 | Very low | 196 Ų | 196 | 146.6 Ų | 146.6 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -156.6 | 128.9 | 163.7 | -84.8 | -84.6 | 0 | 0 | 0 | 104 | ||||
| 517 | D | 32.9 | Very low | 28 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | cis | -141.7 | 121.4 | 37.5 | -78.2 | -50.3 | 0 | 0 | 0 | 112 | ||||
| 518 | S | 26.5 | Very low | 27.9 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -96.7 | 96 | 148 | -166 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 519 | A | 32.3 | Very low | 27.8 | Very low | 81 Ų | 81 | 145.1 Ų | 145.1 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | -126.7 | 107.7 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 520 | N | 26.4 | Very low | 27.9 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | -61.1 | 127.2 | 170.2 | -66.4 | -66.6 | 0 | 0 | 0 | 111.6 | ||||
| 521 | H | 32.2 | Very low | 27.7 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -128.7 | 92.3 | 139.4 | -78.6 | -74.7 | 0 | 0 | 0 | 104.7 | ||||
| 522 | S | 23.6 | Very low | 27.6 | Very low | 89 Ų | 89 | 145 Ų | 145 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | 50.2 | 119.3 | 71.9 | -159.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 523 | L | 25.7 | Very low | 27.8 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 78 | 93.5 | 162.9 | -64.1 | 152 | 0 | 0 | 0 | 117.1 | ||||
| 524 | K | 27.9 | Very low | 27.7 | Very low | 211 Ų | 211 | 144 Ų | 144 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | -140.9 | 92.3 | 115.6 | -99.2 | 170.8 | -172.2 | -174.6 | 0 | 109 | E526 | K524-E526 PolarHBondContact O-N 3.03Š| |||
| 525 | S | 24.7 | Very low | 27.6 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -65.4 | 112.9 | 156 | 47.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 526 | E | 27.9 | Very low | 27.7 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -126.7 | 89.5 | 157.2 | -144 | 162.7 | -152.3 | 0 | 0 | 106.3 | K524 D528 | K524-E526 PolarHBondContact O-N 3.03Å; E526-D528 PolarHBondContact O-N 3.02Å | ||
| 527 | T | 25.6 | Very low | 27.5 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | -65.1 | 101 | 162.3 | 40.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 528 | D | 28.5 | Very low | 27.3 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -115.9 | 102.1 | 147.8 | -92.9 | -23.7 | 0 | 0 | 0 | 108.4 | E526 | E526-D528 PolarHBondContact O-N 3.02Š| ||
| 529 | S | 24.9 | Very low | 27.2 | Very low | 99 Ų | 99 | 143.8 Ų | 143.8 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -87 | 150.2 | 176.8 | -139.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 530 | I | 26.8 | Very low | 27.4 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 85.9 | 91.5 | 157.8 | -47.1 | 151.9 | 0 | 0 | 0 | 116.2 | ||||
| 531 | R | 25 | Very low | 27.4 | Very low | 254 Ų | 254 | 146.2 Ų | 146.2 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | -134.3 | 89.7 | 120.6 | -124.5 | 179.3 | -171.3 | -177.9 | 3.3 | 110.1 | |||||
| 532 | L | 26.5 | Very low | 27.2 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | -67.6 | 118.3 | 164.2 | -162.7 | 75.4 | 0 | 0 | 0 | 107.7 | ||||
| 533 | A | 30.1 | Very low | 27.5 | Very low | 97 Ų | 97 | 145.2 Ų | 145.2 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -131.4 | 84.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 534 | N | 25.6 | Very low | 27.5 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -66.5 | 128.7 | 162.2 | -77.7 | -27.9 | 0 | 0 | 0 | 108.7 | ||||
| 535 | S | 33.1 | Very low | 27.6 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -150.3 | 93.7 | 146.5 | 62.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 536 | N | 29.2 | Very low | 27.7 | Very low | 152 Ų | 152 | 151 Ų | 151 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 53.4 | 108.9 | 134.1 | -57 | -18.3 | 0 | 0 | 0 | 119.6 | ||||
| 537 | E | 21.6 | Very low | 27.9 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -26.7 | 148.4 | 137.6 | -105.4 | -178.2 | 156.1 | 0 | 0 | 114.2 | R539 | E537-R539 WeakPolarHBondContact OE1-CG 3.47Š| ||
| 538 | P | 29.8 | Very low | 27.9 | Very low | 127 Ų | 127 | 156.8 Ų | 156.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | -129.9 | 134.9 | 96.6 | 34.6 | -25.5 | 0 | 0 | 0 | 113.8 | |||||
| 539 | R | 24.1 | Very low | 28.1 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | -50.2 | 130.7 | 154.2 | -79.7 | 157.3 | 132.6 | 164.6 | -2.7 | 111.4 | E537 | E537-R539 WeakPolarHBondContact OE1-CG 3.47Š| ||
| 540 | T | 35.5 | Very low | 28.3 | Very low | 142 Ų | 142 | 155.8 Ų | 155.8 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | -142.6 | 124 | 129.2 | 46.2 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 541 | N | 26.8 | Very low | 28.5 | Very low | 132 Ų | 132 | 156.8 Ų | 156.8 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -78.4 | 156.3 | 173.4 | -76.9 | -33.3 | 0 | 0 | 0 | 110.7 | ||||
| 542 | N | 27.5 | Very low | 28.8 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 78% | 0.781 | 79% | 0.788 | S | S | * | * | trans | 90.1 | 132.3 | 144.7 | -65.5 | -16.6 | 0 | 0 | 0 | 122 | ||||
| 543 | S | 30.5 | Very low | 29.1 | Very low | 111 Ų | 111 | 152 Ų | 152 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 70.3 | 82.4 | 155.5 | 65.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 544 | Y | 26.9 | Very low | 29.2 | Very low | 238 Ų | 238 | 154.1 Ų | 154.1 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | trans | -118.9 | 82.3 | 147.1 | -92 | -89 | 0 | 0 | 0 | 109.4 | ||||
| 545 | I | 28.8 | Very low | 29.6 | Very low | 150 Ų | 150 | 155.9 Ų | 155.9 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -129.6 | 114 | 165.7 | -70.9 | 179.9 | 0 | 0 | 0 | 108.5 | ||||
| 546 | K | 28.1 | Very low | 29.3 | Very low | 183 Ų | 183 | 155.7 Ų | 155.7 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | 58.4 | 108.9 | 153.9 | -69.9 | 173.8 | 175.1 | 179.7 | 0 | 117.8 | ||||
| 547 | Q | 30.6 | Very low | 29.7 | Very low | 181 Ų | 181 | 154 Ų | 154 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | -148.5 | 101.4 | 121 | -109.3 | 167.8 | -2.7 | 0 | 0 | 108.8 | S549 | Q547-S549 VanDerWaalsContact C-N 3.34Å; Q547-S549 PolarHBondContact O-N 2.95Å | |||
| 548 | W | 25.8 | Very low | 30.2 | Very low | 252 Ų | 252 | 156.8 Ų | 156.8 | 96% | 0.955 | 81% | 0.809 | S | S | * | * | trans | -76.3 | 96.6 | 157.6 | -75.7 | 56.3 | 0 | 0 | 0 | 105.3 | ||||
| 549 | S | 33 | Very low | 30.4 | Very low | 92 Ų | 92 | 162.1 Ų | 162.1 | 64% | 0.643 | 81% | 0.812 | S | S | * | * | trans | -97.2 | 134.3 | 166.1 | -71.7 | 0 | 0 | 0 | 0 | 108.2 | Q547 D551 | Q547-S549 VanDerWaalsContact C-N 3.34Å; Q547-S549 PolarHBondContact O-N 2.95Å; S549-D551 PolarHBondContact O-N 3.32Å | ||
| 550 | N | 29.1 | Very low | 30.7 | Very low | 150 Ų | 150 | 160.8 Ų | 160.8 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -60.8 | 111.3 | -171.9 | -61.9 | -46.9 | 0 | 0 | 0 | 112.6 | ||||
| 551 | D | 32.1 | Very low | 30.7 | Very low | 169 Ų | 169 | 160.4 Ų | 160.4 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -103 | 78.6 | 158.3 | -80.1 | -26.3 | 0 | 0 | 0 | 109.4 | S549 | S549-D551 PolarHBondContact O-N 3.32Š| ||
| 552 | S | 30.1 | Very low | 30.8 | Very low | 105 Ų | 105 | 161 Ų | 161 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -99.2 | 78.1 | 164.1 | 66.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 553 | K | 32.7 | Very low | 31 | Very low | 186 Ų | 186 | 164.5 Ų | 164.5 | 81% | 0.809 | 81% | 0.807 | S | S | * | * | trans | -148.2 | 98.3 | 162.9 | -78.9 | -174.6 | 177.2 | 167 | 0 | 109.3 | ||||
| 554 | N | 33.2 | Very low | 31.2 | Very low | 142 Ų | 142 | 167.8 Ų | 167.8 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | S | Bend | 168.8 | 138.4 | 114.3 | -83.4 | -25.2 | 0 | 0 | 0 | 113.7 | |||
| 555 | H | 33.1 | Very low | 31.2 | Very low | 172 Ų | 172 | 164.6 Ų | 164.6 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | 73.4 | 82.4 | 161.3 | -62.7 | -59.4 | 0 | 0 | 0 | 119.9 | ||||
| 556 | A | 27.9 | Very low | 31.4 | Very low | 103 Ų | 103 | 163.2 Ų | 163.2 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -41.7 | 126.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 557 | S | 37.3 | Very low | 31.6 | Very low | 117 Ų | 117 | 163.1 Ų | 163.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -131.9 | 127.7 | 146.4 | 62.8 | 0 | 0 | 0 | 0 | 108.7 | R559 | S557-R559 PolarHBondContact O-N 3.07Š| ||
| 558 | K | 32.2 | Very low | 31.7 | Very low | 206 Ų | 206 | 164 Ų | 164 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | -58.8 | 115.2 | -169.7 | -71.1 | 164.3 | 171 | 173.7 | 0 | 111.8 | ||||
| 559 | R | 32.9 | Very low | 32.2 | Very low | 238 Ų | 238 | 160.2 Ų | 160.2 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | trans | -134.5 | 93.7 | 144.2 | -78.5 | -163.4 | 141.1 | -162.5 | -6.7 | 109.1 | S557 N561 | S557-R559 PolarHBondContact O-N 3.07Å; R559-N561 VanDerWaalsContact C-N 3.33Å; R559-N561 PolarHBondContact O-N 3.36Å | ||
| 560 | Q | 31 | Very low | 32.2 | Very low | 162 Ų | 162 | 166.8 Ų | 166.8 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | -68.2 | 85 | 177 | -168 | 178 | 1.3 | 0 | 0 | 108.9 | H562 | Q560-H562 PolarHBondContact O-N 3.42Š| ||
| 561 | N | 36.1 | Very low | 32.5 | Very low | 133 Ų | 133 | 168.1 Ų | 168.1 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -86.3 | 96.6 | 162.6 | -74.4 | -21.3 | 0 | 0 | 0 | 106.7 | R559 W563 | R559-N561 VanDerWaalsContact C-N 3.33Å; R559-N561 PolarHBondContact O-N 3.36Å; N561-W563 PolarHBondContact O-N 3.46Å | ||
| 562 | H | 28.1 | Very low | 32.4 | Very low | 144 Ų | 144 | 168.7 Ų | 168.7 | 67% | 0.667 | 79% | 0.794 | S | S | * | * | trans | -60.7 | 95.3 | 176.1 | -122.3 | -48.3 | 0 | 0 | 0 | 109.1 | Q560 F564 | Q560-H562 PolarHBondContact O-N 3.42Å; H562-F564 PolarHBondContact O-N 2.89Å | ||
| 563 | W | 32.6 | Very low | 32.5 | Very low | 220 Ų | 220 | 174.8 Ų | 174.8 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | trans | -77 | 113.2 | 162.3 | -72.4 | 87.3 | 0 | 0 | 0 | 107 | N561 H565 | N561-W563 PolarHBondContact O-N 3.46Å; W563-H565 PolarHBondContact O-N 2.93Å | ||
| 564 | F | 32.8 | Very low | 32.7 | Very low | 181 Ų | 181 | 172.1 Ų | 172.1 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -61.6 | 101.4 | 172 | -76 | -92 | 0 | 0 | 0 | 108.9 | H562 N566 | H562-F564 PolarHBondContact O-N 2.89Å; F564-N566 PolarHBondContact O-N 3.35Å | ||
| 565 | H | 28.9 | Very low | 32.8 | Very low | 170 Ų | 170 | 171.3 Ų | 171.3 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | -74.6 | 100.8 | 158.9 | -90.7 | -83.1 | 0 | 0 | 0 | 107.1 | W563 E567 | W563-H565 PolarHBondContact O-N 2.93Å; H565-E567 VanDerWaalsContact C-N 3.3Å; H565-E567 PolarHBondContact O-N 3.19Å | ||
| 566 | N | 32.9 | Very low | 33 | Very low | 122 Ų | 122 | 170.5 Ų | 170.5 | 65% | 0.652 | 80% | 0.802 | S | S | * | * | trans | -73.3 | 91.2 | 165.8 | -82.3 | -10.8 | 0 | 0 | 0 | 108.2 | F564 Y568 | F564-N566 PolarHBondContact O-N 3.35Å; N566-Y568 HydrophobicContact CB-CD2 3.99Å; N566-Y568 HydrophobicContact CB-CE2 3.91Å; N566-Y568 PolarHBondContact O-N 3.39Å | ||
| 567 | E | 31.7 | Very low | 33.3 | Very low | 180 Ų | 180 | 173.9 Ų | 173.9 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | trans | -67.7 | 105.1 | 159.5 | -67.6 | 180 | 161.7 | 0 | 0 | 108 | H565 | H565-E567 VanDerWaalsContact C-N 3.3Å; H565-E567 PolarHBondContact O-N 3.19Å | ||
| 568 | Y | 33.4 | Very low | 33.1 | Very low | 201 Ų | 201 | 175 Ų | 175 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | trans | -107.6 | 118.4 | 163.7 | -81.2 | -79.8 | 0 | 0 | 0 | 108.9 | N566 R570 | N566-Y568 HydrophobicContact CB-CD2 3.99Å; N566-Y568 HydrophobicContact CB-CE2 3.91Å; N566-Y568 PolarHBondContact O-N 3.39Å; Y568-R570 PolarHBondContact O-N 3.33Å | ||
| 569 | E | 35.3 | Very low | 33.5 | Very low | 172 Ų | 172 | 174.4 Ų | 174.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -56.9 | 126.4 | -175.3 | -65 | -179.5 | 149.6 | 0 | 0 | 112.7 | K571 | E569-K571 PolarHBondContact O-N 3.35Š| ||
| 570 | R | 32.8 | Very low | 33.7 | Very low | 230 Ų | 230 | 168.7 Ų | 168.7 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | -71.5 | 89.3 | 172 | -174.8 | -171.1 | -60.7 | -124.4 | 0.5 | 109.1 | Y568 Q572 | Y568-R570 PolarHBondContact O-N 3.33Å; R570-Q572 PolarHBondContact O-N 2.9Å; R570-Q572 VanDerWaalsContact O-N 3.14Å | ||
| 571 | K | 34.8 | Very low | 33.8 | Very low | 177 Ų | 177 | 169 Ų | 169 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -70.9 | 104.5 | 165 | -70 | -172.3 | 178.7 | -178.9 | 0 | 108.6 | E569 R573 | E569-K571 PolarHBondContact O-N 3.35Å; K571-R573 PolarHBondContact O-N 2.89Å; K571-R573 VanDerWaalsContact O-N 3.15Å | ||
| 572 | Q | 29.7 | Very low | 34 | Very low | 182 Ų | 182 | 168.9 Ų | 168.9 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -61 | 108.5 | 165.7 | -68.6 | 178.3 | -16.8 | 0 | 0 | 107.9 | R570 | R570-Q572 PolarHBondContact O-N 2.9Å; R570-Q572 VanDerWaalsContact O-N 3.14Å | ||
| 573 | R | 33 | Very low | 34.3 | Very low | 233 Ų | 233 | 167.8 Ų | 167.8 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -104.6 | 135 | 159.8 | -87.2 | -169.5 | 178.2 | -164.4 | 0 | 108.2 | K571 | K571-R573 PolarHBondContact O-N 2.89Å; K571-R573 VanDerWaalsContact O-N 3.15Å | ||
| 574 | T | 36.2 | Very low | 34.5 | Very low | 130 Ų | 130 | 163.1 Ų | 163.1 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | trans | -58.3 | 139.2 | -178.4 | 41.6 | 0 | 0 | 0 | 0 | 111.3 | D576 | T574-D576 PolarHBondContact O-N 3.26Š| ||
| 575 | V | 36.5 | Very low | 35 | Very low | 125 Ų | 125 | 160.5 Ų | 160.5 | 76% | 0.758 | 82% | 0.822 | S | S | * | * | trans | -73.9 | 110.5 | 177.6 | 176 | 0 | 0 | 0 | 0 | 107.8 | E577 | V575-E577 HydrophobicContact CG1-CG 4.38Š| ||
| 576 | D | 37.5 | Very low | 35.8 | Very low | 155 Ų | 155 | 157.7 Ų | 157.7 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -93.4 | 120.7 | 156.8 | -76.7 | -30.2 | 0 | 0 | 0 | 107.3 | T574 | T574-D576 PolarHBondContact O-N 3.26Š| ||
| 577 | E | 34.1 | Very low | 36.9 | Very low | 174 Ų | 174 | 157.6 Ų | 157.6 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -72.2 | 120.3 | 178.4 | -61.8 | 176.8 | 156.7 | 0 | 0 | 109.5 | V575 | V575-E577 HydrophobicContact CG1-CG 4.38Š| ||
| 578 | T | 33.6 | Very low | 39.2 | Very low | 139 Ų | 139 | 152.6 Ų | 152.6 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 166.8 | 70.1 | 147.3 | 36.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 579 | E | 39.4 | Very low | 41.5 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -127.2 | 119.5 | 166.8 | -74 | -169.8 | 175 | 0 | 0 | 111.3 | ||||
| 580 | S | 38.1 | Very low | 43.8 | Very low | 117 Ų | 117 | 149.1 Ų | 149.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -67.4 | 138.4 | -176.3 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | T582 | S580-T582 PolarHBondContact O-N 2.96Š| ||
| 581 | L | 33.2 | Very low | 46.4 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | trans | -63 | 93.6 | 179.2 | -63.9 | 161.3 | 0 | 0 | 0 | 112 | ||||
| 582 | T | 39.8 | Very low | 48.8 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -141.7 | 74.4 | 155.7 | 38.7 | 0 | 0 | 0 | 0 | 110.5 | S580 C584 | S580-T582 PolarHBondContact O-N 2.96Å; T582-C584 PolarHBondContact O-N 3.28Å | ||
| 583 | S | 33.3 | Very low | 51.7 | Low | 121 Ų | 121 | 132.9 Ų | 132.9 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | -67.5 | 97.1 | 176.5 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 584 | C | 38 | Very low | 54.3 | Low | 122 Ų | 122 | 124.9 Ų | 124.9 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | -85.3 | 124.3 | 152.5 | -73.2 | 0 | 0 | 0 | 0 | 108.3 | T582 S586 | T582-C584 PolarHBondContact O-N 3.28Å; C584-S586 PolarHBondContact O-N 2.95Å; C584-S586 VanDerWaalsContact O-N 3.1Å | ||
| 585 | S | 43.5 | Very low | 56.8 | Low | 125 Ų | 125 | 122 Ų | 122 | 87% | 0.874 | 70% | 0.701 | S | S | * | * | trans | -48.7 | 113.7 | -178.9 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | L587 | S585-L587 PolarHBondContact O-N 3.2Å; S585-L587 VanDerWaalsContact O-N 3.13Å | ||
| 586 | S | 44.4 | Very low | 59.5 | Low | 111 Ų | 111 | 119 Ų | 119 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | -74.8 | 99.3 | 177.6 | 40.9 | 0 | 0 | 0 | 0 | 109.8 | C584 S588 | C584-S586 PolarHBondContact O-N 2.95Å; C584-S586 VanDerWaalsContact O-N 3.1Å; S586-S588 PolarHBondContact O-N 3.26Å | ||
| 587 | L | 56.8 | Low | 62.2 | Low | 121 Ų | 121 | 120 Ų | 120 | 63% | 0.634 | 68% | 0.681 | S | S | * | * | trans | -48.9 | 123.8 | 150.3 | -80.3 | 160.9 | 0 | 0 | 0 | 106.6 | S585 E589 M592 | S585-L587 PolarHBondContact O-N 3.2Å; S585-L587 VanDerWaalsContact O-N 3.13Å; L587-E589 PolarHBondContact O-N 3.48Å; L587-M592 HydrophobicContact CB-CG 4.3Å | ||
| 588 | S | 79.7 | Confident | 65.2 | Low | 74 Ų | 74 | 116.8 Ų | 116.8 | 52% | 0.517 | 67% | 0.669 | S | S | . | * | trans | -48.5 | 135.8 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 109.4 | S586 K590 S591 M592 | S586-S588 PolarHBondContact O-N 3.26Å; S588-K590 PolarHBondContact O-N 3.22Å; S588-S591 WeakPolarHBondContact O-CA 3.13Å; S588-S591 WeakPolarHBondContact O-CB 3.08Å; S588-S591 PolarHBondContact O-N 3.27Å; S588-M592 PolarHBondContact O-N 3.12Å | ||
| 589 | E | 81 | Confident | 68.1 | Low | 139 Ų | 139 | 113.1 Ų | 113.1 | 65% | 0.65 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -42.3 | -41.4 | 176.1 | -174.6 | 179.1 | -173.3 | 0 | 0 | 112.5 | L587 S591 M592 E593 | L587-E589 PolarHBondContact O-N 3.48Å; E589-S591 VanDerWaalsContact C-N 3.31Å; E589-S591 PolarHBondContact O-N 3.17Å; E589-M592 WeakPolarHBondContact O-CB 3.45Å; E589-M592 PolarHBondContact O-N 3.34Å; E589-M592 VanDerWaalsContact O-N 3.11Å; E589-E593 WeakPolarHBondContact O-CG 3.38Å; E589-E593 PolarHBondContact O-N 3.36Å |
| 590 | K | 85 | Confident | 70.8 | Confident | 162 Ų | 162 | 109.3 Ų | 109.3 | 70% | 0.704 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -60.3 | -34.8 | 175.6 | -63.9 | -179.9 | 179.7 | 177.9 | 0 | 114.1 | S588 S594 | S588-K590 PolarHBondContact O-N 3.22Å; K590-S594 WeakPolarHBondContact O-CB 3.4Å; K590-S594 PolarHBondContact O-N 3.39Å; K590-S594 PolarHBondContact O-OG 2.93Å |
| 591 | S | 86.6 | Confident | 73.6 | Confident | 45 Ų | 45 | 108.4 Ų | 108.4 | 32% | 0.315 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.3 | -35.5 | 176.3 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | S588 E589 S594 S595 | S588-S591 WeakPolarHBondContact O-CA 3.13Å; S588-S591 WeakPolarHBondContact O-CB 3.08Å; S588-S591 PolarHBondContact O-N 3.27Å; E589-S591 VanDerWaalsContact C-N 3.31Å; E589-S591 PolarHBondContact O-N 3.17Å; S591-S594 WeakPolarHBondContact CA-OG 3.3Å; S591-S594 PolarHBondContact O-OG 3.01Å; S591-S595 VanDerWaalsContact O-CB 3.32Å; S591-S595 WeakPolarHBondContact O-CB 3.48Å; S591-S595 PolarHBondContact O-N 3.37Å; S591-S595 VanDerWaalsContact O-N 3.08Å; S591-S595 PolarHBondContact O-OG 3.37Å |
| 592 | M | 85.9 | Confident | 76.6 | Confident | 114 Ų | 114 | 103.8 Ų | 103.8 | 56% | 0.562 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69 | -45.1 | 174.6 | -60.3 | -165.3 | -53.4 | 0 | 0 | 110.2 | L587 S588 E589 S594 S595 A596 | L587-M592 HydrophobicContact CB-CG 4.3Å; S588-M592 PolarHBondContact O-N 3.12Å; E589-M592 WeakPolarHBondContact O-CB 3.45Å; E589-M592 PolarHBondContact O-N 3.34Å; E589-M592 VanDerWaalsContact O-N 3.11Å; M592-S594 PolarHBondContact O-N 3Å; M592-S595 PolarHBondContact O-N 3.46Å; M592-A596 VanDerWaalsContact O-CB 3.31Å; M592-A596 WeakPolarHBondContact O-CB 3.42Å; M592-A596 PolarHBondContact O-N 2.94Å |
| 593 | E | 89.4 | Confident | 79.3 | Confident | 89 Ų | 89 | 102.1 Ų | 102.1 | 42% | 0.416 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.6 | -43.1 | 176 | -72.3 | -174.6 | 171.9 | 0 | 0 | 112.8 | E589 A596 R597 | E589-E593 WeakPolarHBondContact O-CG 3.38Å; E589-E593 PolarHBondContact O-N 3.36Å; E593-A596 PolarHBondContact O-N 3.26Å; E593-R597 WeakPolarHBondContact O-CB 3.4Å; E593-R597 WeakPolarHBondContact O-CG 3.48Å; E593-R597 PolarHBondContact O-N 3.02Å |
| 594 | S | 88.8 | Confident | 82.4 | Confident | 65 Ų | 65 | 99.9 Ų | 99.9 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.4 | -40.2 | 178.3 | 66.8 | 0 | 0 | 0 | 0 | 111.8 | K590 S591 M592 R597 L598 | K590-S594 WeakPolarHBondContact O-CB 3.4Å; K590-S594 PolarHBondContact O-N 3.39Å; K590-S594 PolarHBondContact O-OG 2.93Å; S591-S594 WeakPolarHBondContact CA-OG 3.3Å; S591-S594 PolarHBondContact O-OG 3.01Å; M592-S594 PolarHBondContact O-N 3Å; S594-R597 PolarHBondContact O-N 3.03Å; S594-L598 WeakPolarHBondContact O-CB 3.35Å; S594-L598 PolarHBondContact O-N 3.35Å |
| 595 | S | 88.5 | Confident | 85.2 | Confident | 69 Ų | 69 | 100.2 Ų | 100.2 | 48% | 0.483 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 175.9 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | S591 M592 L598 A599 | S591-S595 VanDerWaalsContact O-CB 3.32Å; S591-S595 WeakPolarHBondContact O-CB 3.48Å; S591-S595 PolarHBondContact O-N 3.37Å; S591-S595 VanDerWaalsContact O-N 3.08Å; S591-S595 PolarHBondContact O-OG 3.37Å; M592-S595 PolarHBondContact O-N 3.46Å; S595-L598 PolarHBondContact O-N 2.94Å; S595-A599 WeakPolarHBondContact O-CB 3.49Å; S595-A599 PolarHBondContact O-N 2.9Å |
| 596 | A | 93.4 | Very high | 87.7 | Confident | 62 Ų | 62 | 97 Ų | 97 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | M592 E593 A599 H600 | M592-A596 VanDerWaalsContact O-CB 3.31Å; M592-A596 WeakPolarHBondContact O-CB 3.42Å; M592-A596 PolarHBondContact O-N 2.94Å; E593-A596 PolarHBondContact O-N 3.26Å; A596-A599 PolarHBondContact O-N 3.23Å; A596-H600 WeakPolarHBondContact O-CB 3.47Å; A596-H600 PolarHBondContact O-N 3.22Å |
| 597 | R | 94.6 | Very high | 90.2 | Very high | 175 Ų | 175 | 97 Ų | 97 | 66% | 0.66 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 174.8 | -78 | -179.7 | -179.1 | 152.3 | 7.9 | 112.3 | E593 S594 H600 E601 | E593-R597 WeakPolarHBondContact O-CB 3.4Å; E593-R597 WeakPolarHBondContact O-CG 3.48Å; E593-R597 PolarHBondContact O-N 3.02Å; S594-R597 PolarHBondContact O-N 3.03Å; R597-H600 PolarHBondContact O-N 2.86Å; R597-E601 WeakPolarHBondContact O-CB 3.41Å; R597-E601 PolarHBondContact O-N 2.79Å |
| 598 | L | 95.9 | Very high | 92.1 | Very high | 107 Ų | 107 | 97 Ų | 97 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.4 | -41.2 | 177.2 | -176.1 | 69.4 | 0 | 0 | 0 | 111.6 | S594 S595 E601 T602 | S594-L598 WeakPolarHBondContact O-CB 3.35Å; S594-L598 PolarHBondContact O-N 3.35Å; S595-L598 PolarHBondContact O-N 2.94Å; L598-E601 PolarHBondContact O-N 3.39Å; L598-T602 WeakPolarHBondContact O-CB 3.38Å; L598-T602 PolarHBondContact O-N 3.17Å; L598-T602 PolarHBondContact O-OG1 3.45Å |
| 599 | A | 95 | Very high | 92.9 | Very high | 62 Ų | 62 | 98.1 Ų | 98.1 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S595 A596 T602 L603 | S595-A599 WeakPolarHBondContact O-CB 3.49Å; S595-A599 PolarHBondContact O-N 2.9Å; A596-A599 PolarHBondContact O-N 3.23Å; A599-T602 PolarHBondContact O-N 3.41Å; A599-L603 WeakPolarHBondContact O-CB 3.44Å; A599-L603 PolarHBondContact O-N 3Å |
| 600 | H | 96 | Very high | 93.7 | Very high | 115 Ų | 115 | 96.9 Ų | 96.9 | 53% | 0.532 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 176 | -175.1 | -87.5 | 0 | 0 | 0 | 112.2 | A596 R597 T602 L603 E604 | A596-H600 WeakPolarHBondContact O-CB 3.47Å; A596-H600 PolarHBondContact O-N 3.22Å; R597-H600 PolarHBondContact O-N 2.86Å; H600-T602 VanDerWaalsContact C-N 3.3Å; H600-T602 PolarHBondContact O-N 2.9Å; H600-L603 PolarHBondContact O-N 3.27Å; H600-E604 IonicContact CE1-OE1 2.97Å; H600-E604 PolarHBondContact CE1-OE1 3.38Å; H600-E604 IonicContact ND1-OE1 3.46Å; H600-E604 PolarHBondContact O-N 2.96Å |
| 601 | E | 96.9 | Very high | 94.2 | Very high | 98 Ų | 98 | 94.5 Ų | 94.5 | 46% | 0.458 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 176.4 | -167.1 | -164.8 | 152.4 | 0 | 0 | 111.9 | R597 L598 R605 | R597-E601 WeakPolarHBondContact O-CB 3.41Å; R597-E601 PolarHBondContact O-N 2.79Å; L598-E601 PolarHBondContact O-N 3.39Å; E601-R605 WeakPolarHBondContact O-CB 3.49Å; E601-R605 PolarHBondContact O-N 2.71Å; E601-R605 IonicContact OE1-CZ 2.8Å; E601-R605 IonicContact OE1-NH2 2.8Å; E601-R605 PolarHBondContact OE1-NH2 3.35Å |
| 602 | T | 96.2 | Very high | 94.7 | Very high | 72 Ų | 72 | 98.4 Ų | 98.4 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 178.1 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | L598 A599 H600 R605 A606 | L598-T602 WeakPolarHBondContact O-CB 3.38Å; L598-T602 PolarHBondContact O-N 3.17Å; L598-T602 PolarHBondContact O-OG1 3.45Å; A599-T602 PolarHBondContact O-N 3.41Å; H600-T602 VanDerWaalsContact C-N 3.3Å; H600-T602 PolarHBondContact O-N 2.9Å; T602-R605 PolarHBondContact O-N 2.98Å; T602-A606 PolarHBondContact O-N 3.33Å |
| 603 | L | 97.2 | Very high | 95.1 | Very high | 97 Ų | 97 | 97.4 Ų | 97.4 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 176.4 | -173.2 | 155.6 | 0 | 0 | 0 | 111.5 | A599 H600 R605 A606 Q607 | A599-L603 WeakPolarHBondContact O-CB 3.44Å; A599-L603 PolarHBondContact O-N 3Å; H600-L603 PolarHBondContact O-N 3.27Å; L603-R605 VanDerWaalsContact C-N 3.27Å; L603-R605 PolarHBondContact O-N 3.26Å; L603-A606 WeakPolarHBondContact O-CB 3.48Å; L603-A606 PolarHBondContact O-N 3.5Å; L603-A606 VanDerWaalsContact O-N 3.16Å; L603-Q607 VanDerWaalsContact CD2-CD 3.46Å; L603-Q607 HydrophobicContact CD2-CG 4.06Å; L603-Q607 WeakPolarHBondContact O-CG 3.5Å; L603-Q607 PolarHBondContact O-N 3.19Å |
| 604 | E | 97.5 | Very high | 95.4 | Very high | 74 Ų | 74 | 97.2 Ų | 97.2 | 35% | 0.346 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 175 | -81.5 | -164 | -165.9 | 0 | 0 | 112.1 | H600 A606 Q607 K608 | H600-E604 IonicContact CE1-OE1 2.97Å; H600-E604 PolarHBondContact CE1-OE1 3.38Å; H600-E604 IonicContact ND1-OE1 3.46Å; H600-E604 PolarHBondContact O-N 2.96Å; E604-A606 VanDerWaalsContact C-N 3.33Å; E604-Q607 PolarHBondContact O-N 3.41Å; E604-K608 WeakPolarHBondContact O-CB 3.44Å; E604-K608 WeakPolarHBondContact O-CG 3.23Å; E604-K608 PolarHBondContact O-N 3.27Å; E604-K608 IonicContact OE2-NZ 3.15Å; E604-K608 PolarHBondContact OE2-NZ 3.06Å; E604-K608 VanDerWaalsContact OE2-NZ 3.09Å |
| 605 | R | 97 | Very high | 95.6 | Very high | 128 Ų | 128 | 102 Ų | 102 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 178.1 | -165.2 | -175.3 | -60.6 | 142.8 | -0.6 | 110.9 | E601 T602 L603 K608 Q609 | E601-R605 WeakPolarHBondContact O-CB 3.49Å; E601-R605 PolarHBondContact O-N 2.71Å; E601-R605 IonicContact OE1-CZ 2.8Å; E601-R605 IonicContact OE1-NH2 2.8Å; E601-R605 PolarHBondContact OE1-NH2 3.35Å; T602-R605 PolarHBondContact O-N 2.98Å; L603-R605 VanDerWaalsContact C-N 3.27Å; L603-R605 PolarHBondContact O-N 3.26Å; R605-K608 PolarHBondContact O-N 2.81Å; R605-Q609 VanDerWaalsContact O-CG 3.31Å; R605-Q609 WeakPolarHBondContact O-CG 3.27Å; R605-Q609 PolarHBondContact O-N 2.93Å |
| 606 | A | 96.7 | Very high | 95.8 | Very high | 59 Ų | 59 | 103 Ų | 103 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | T602 L603 E604 Q609 H610 | T602-A606 PolarHBondContact O-N 3.33Å; L603-A606 WeakPolarHBondContact O-CB 3.48Å; L603-A606 PolarHBondContact O-N 3.5Å; L603-A606 VanDerWaalsContact O-N 3.16Å; E604-A606 VanDerWaalsContact C-N 3.33Å; A606-Q609 PolarHBondContact O-N 2.98Å; A606-H610 PolarHBondContact O-N 3.17Å |
| 607 | Q | 97.2 | Very high | 95.7 | Very high | 110 Ų | 110 | 105.1 Ų | 105.1 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.4 | -73.5 | 178.9 | -21.6 | 0 | 0 | 111.9 | L603 E604 Q609 H610 E611 | L603-Q607 VanDerWaalsContact CD2-CD 3.46Å; L603-Q607 HydrophobicContact CD2-CG 4.06Å; L603-Q607 WeakPolarHBondContact O-CG 3.5Å; L603-Q607 PolarHBondContact O-N 3.19Å; E604-Q607 PolarHBondContact O-N 3.41Å; Q607-Q609 VanDerWaalsContact C-N 3.31Å; Q607-Q609 PolarHBondContact O-N 3.22Å; Q607-H610 WeakPolarHBondContact O-CB 3.27Å; Q607-H610 PolarHBondContact O-N 3.3Å; Q607-E611 WeakPolarHBondContact O-CG 3.48Å; Q607-E611 PolarHBondContact O-N 3.02Å |
| 608 | K | 96.5 | Very high | 95.3 | Very high | 122 Ų | 122 | 103.1 Ų | 103.1 | 53% | 0.53 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 176.1 | -74.7 | 168.1 | -177.7 | 153 | 0 | 112.7 | E604 R605 R612 | E604-K608 WeakPolarHBondContact O-CB 3.44Å; E604-K608 WeakPolarHBondContact O-CG 3.23Å; E604-K608 PolarHBondContact O-N 3.27Å; E604-K608 IonicContact OE2-NZ 3.15Å; E604-K608 PolarHBondContact OE2-NZ 3.06Å; E604-K608 VanDerWaalsContact OE2-NZ 3.09Å; R605-K608 PolarHBondContact O-N 2.81Å; K608-R612 WeakPolarHBondContact O-CB 3.47Å; K608-R612 PolarHBondContact O-N 3.44Å |
| 609 | Q | 96.6 | Very high | 94.8 | Very high | 96 Ų | 96 | 103.6 Ų | 103.6 | 45% | 0.449 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 174.6 | -70.7 | -67.2 | -23.8 | 0 | 0 | 111.4 | R605 A606 Q607 R612 I613 | R605-Q609 VanDerWaalsContact O-CG 3.31Å; R605-Q609 WeakPolarHBondContact O-CG 3.27Å; R605-Q609 PolarHBondContact O-N 2.93Å; A606-Q609 PolarHBondContact O-N 2.98Å; Q607-Q609 VanDerWaalsContact C-N 3.31Å; Q607-Q609 PolarHBondContact O-N 3.22Å; Q609-R612 WeakPolarHBondContact O-CB 3.49Å; Q609-R612 PolarHBondContact O-N 3.41Å; Q609-I613 WeakPolarHBondContact O-CG1 3.38Å; Q609-I613 PolarHBondContact O-N 3.02Å |
| 610 | H | 96.2 | Very high | 94.1 | Very high | 114 Ų | 114 | 107.9 Ų | 107.9 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 176.6 | 179.8 | -103.3 | 0 | 0 | 0 | 112 | A606 Q607 R612 I613 L614 | A606-H610 PolarHBondContact O-N 3.17Å; Q607-H610 WeakPolarHBondContact O-CB 3.27Å; Q607-H610 PolarHBondContact O-N 3.3Å; H610-R612 VanDerWaalsContact C-N 3.27Å; H610-R612 PolarHBondContact O-N 3.46Å; H610-I613 PolarHBondContact O-N 2.97Å; H610-L614 VanDerWaalsContact CE1-CD1 3.48Å; H610-L614 WeakPolarHBondContact CE1-CD1 3.49Å; H610-L614 PolarHBondContact O-N 3.04Å |
| 611 | E | 96.7 | Very high | 93.4 | Very high | 112 Ų | 112 | 106 Ų | 106 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -34 | 174.4 | -72.5 | 179.6 | 175.9 | 0 | 0 | 113.2 | Q607 R615 | Q607-E611 WeakPolarHBondContact O-CG 3.48Å; Q607-E611 PolarHBondContact O-N 3.02Å; E611-R615 WeakPolarHBondContact O-CG 3.31Å; E611-R615 PolarHBondContact O-N 2.87Å; E611-R615 VanDerWaalsContact O-N 3.17Å; E611-R615 PolarHBondContact O-NE 3.16Å |
| 612 | R | 95.7 | Very high | 92.6 | Very high | 126 Ų | 126 | 106.3 Ų | 106.3 | 48% | 0.475 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 173.7 | -179.3 | -176.2 | 168.9 | -146.6 | -8.3 | 110.9 | K608 Q609 H610 L614 R615 E616 | K608-R612 WeakPolarHBondContact O-CB 3.47Å; K608-R612 PolarHBondContact O-N 3.44Å; Q609-R612 WeakPolarHBondContact O-CB 3.49Å; Q609-R612 PolarHBondContact O-N 3.41Å; H610-R612 VanDerWaalsContact C-N 3.27Å; H610-R612 PolarHBondContact O-N 3.46Å; R612-L614 VanDerWaalsContact C-N 3.35Å; R612-L614 PolarHBondContact O-N 3.08Å; R612-R615 PolarHBondContact O-N 2.89Å; R612-E616 IonicContact CZ-OE1 3.87Å; R612-E616 IonicContact NE-OE1 2.86Å; R612-E616 PolarHBondContact NE-OE1 3.32Å; R612-E616 IonicContact NH2-OE1 2.7Å; R612-E616 PolarHBondContact NH2-OE1 3Å; R612-E616 WeakPolarHBondContact O-CG 3.48Å; R612-E616 PolarHBondContact O-N 3.17Å |
| 613 | I | 95.9 | Very high | 91.6 | Very high | 93 Ų | 93 | 107.8 Ų | 107.8 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 178.6 | -68.1 | 164.3 | 0 | 0 | 0 | 110.6 | Q609 H610 R615 E616 Q617 | Q609-I613 WeakPolarHBondContact O-CG1 3.38Å; Q609-I613 PolarHBondContact O-N 3.02Å; H610-I613 PolarHBondContact O-N 2.97Å; I613-R615 VanDerWaalsContact C-N 3.31Å; I613-R615 PolarHBondContact O-N 3.26Å; I613-E616 PolarHBondContact O-N 3.06Å; I613-Q617 WeakPolarHBondContact O-CB 3.44Å; I613-Q617 PolarHBondContact O-N 3.31Å |
| 614 | L | 95.6 | Very high | 90.3 | Very high | 86 Ų | 86 | 106.2 Ų | 106.2 | 45% | 0.45 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 177.3 | -71.5 | 178.8 | 0 | 0 | 0 | 112.6 | H610 R612 K618 | H610-L614 VanDerWaalsContact CE1-CD1 3.48Å; H610-L614 WeakPolarHBondContact CE1-CD1 3.49Å; H610-L614 PolarHBondContact O-N 3.04Å; R612-L614 VanDerWaalsContact C-N 3.35Å; R612-L614 PolarHBondContact O-N 3.08Å; L614-K618 WeakPolarHBondContact O-CB 3.39Å; L614-K618 PolarHBondContact O-N 3.37Å |
| 615 | R | 93.1 | Very high | 88.2 | Confident | 166 Ų | 166 | 111.8 Ų | 111.8 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.8 | -43.5 | 174.4 | -76.7 | -175 | -70.8 | 165.3 | -5.9 | 112.3 | E611 R612 I613 Q617 K618 Q619 | E611-R615 WeakPolarHBondContact O-CG 3.31Å; E611-R615 PolarHBondContact O-N 2.87Å; E611-R615 VanDerWaalsContact O-N 3.17Å; E611-R615 PolarHBondContact O-NE 3.16Å; R612-R615 PolarHBondContact O-N 2.89Å; I613-R615 VanDerWaalsContact C-N 3.31Å; I613-R615 PolarHBondContact O-N 3.26Å; R615-Q617 VanDerWaalsContact C-N 3.34Å; R615-K618 PolarHBondContact O-N 3.33Å; R615-Q619 WeakPolarHBondContact O-CB 3.36Å; R615-Q619 PolarHBondContact O-N 3.09Å |
| 616 | E | 91.6 | Very high | 86.2 | Confident | 88 Ų | 88 | 107.7 Ų | 107.7 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 176.5 | -72.9 | 176.2 | -178.3 | 0 | 0 | 111.1 | R612 I613 Q619 Y620 | R612-E616 IonicContact CZ-OE1 3.87Å; R612-E616 IonicContact NE-OE1 2.86Å; R612-E616 PolarHBondContact NE-OE1 3.32Å; R612-E616 IonicContact NH2-OE1 2.7Å; R612-E616 PolarHBondContact NH2-OE1 3Å; R612-E616 WeakPolarHBondContact O-CG 3.48Å; R612-E616 PolarHBondContact O-N 3.17Å; I613-E616 PolarHBondContact O-N 3.06Å; E616-Q619 PolarHBondContact O-N 3.04Å; E616-Y620 WeakPolarHBondContact O-CB 3.49Å; E616-Y620 PolarHBondContact O-N 3.34Å |
| 617 | Q | 90.7 | Very high | 84.2 | Confident | 107 Ų | 107 | 110 Ų | 110 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 175.6 | -171.3 | 177 | 13.1 | 0 | 0 | 112 | I613 R615 Y620 N621 | I613-Q617 WeakPolarHBondContact O-CB 3.44Å; I613-Q617 PolarHBondContact O-N 3.31Å; R615-Q617 VanDerWaalsContact C-N 3.34Å; Q617-Y620 PolarHBondContact O-N 3.31Å; Q617-N621 WeakPolarHBondContact O-CB 3.41Å; Q617-N621 VanDerWaalsContact O-CG 3.25Å; Q617-N621 PolarHBondContact O-N 3.24Å |
| 618 | K | 87.7 | Confident | 82.1 | Confident | 134 Ų | 134 | 110.6 Ų | 110.6 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -46.1 | 174.7 | -173 | 178.3 | 177.4 | -176 | 0 | 111.2 | L614 R615 Y620 N621 E622 | L614-K618 WeakPolarHBondContact O-CB 3.39Å; L614-K618 PolarHBondContact O-N 3.37Å; R615-K618 PolarHBondContact O-N 3.33Å; K618-Y620 VanDerWaalsContact C-N 3.35Å; K618-Y620 PolarHBondContact O-N 2.95Å; K618-N621 PolarHBondContact O-N 2.98Å; K618-E622 WeakPolarHBondContact CE-OE1 3.34Å; K618-E622 WeakPolarHBondContact O-CB 3.49Å; K618-E622 WeakPolarHBondContact O-CG 3.31Å; K618-E622 PolarHBondContact O-N 3Å |
| 619 | Q | 85.1 | Confident | 80 | Confident | 116 Ų | 116 | 107.6 Ų | 107.6 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -38.4 | 177.7 | -169.8 | -179.6 | 3.8 | 0 | 0 | 112.3 | R615 E616 E622 N623 | R615-Q619 WeakPolarHBondContact O-CB 3.36Å; R615-Q619 PolarHBondContact O-N 3.09Å; E616-Q619 PolarHBondContact O-N 3.04Å; Q619-E622 PolarHBondContact O-N 3.45Å; Q619-N623 WeakPolarHBondContact O-CB 3.41Å; Q619-N623 VanDerWaalsContact O-CG 3.24Å; Q619-N623 PolarHBondContact O-N 2.99Å |
| 620 | Y | 81 | Confident | 77.6 | Confident | 153 Ų | 153 | 111.9 Ų | 111.9 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 174.9 | -179.2 | -100.3 | 0 | 0 | 0 | 111.7 | E616 Q617 K618 N623 I624 | E616-Y620 WeakPolarHBondContact O-CB 3.49Å; E616-Y620 PolarHBondContact O-N 3.34Å; Q617-Y620 PolarHBondContact O-N 3.31Å; K618-Y620 VanDerWaalsContact C-N 3.35Å; K618-Y620 PolarHBondContact O-N 2.95Å; Y620-N623 PolarHBondContact O-N 3.23Å; Y620-I624 HydrophobicContact CD1-CD1 3.76Å; Y620-I624 HydrophobicContact CD2-CD1 4.05Å; Y620-I624 HydrophobicContact CE1-CD1 3.19Å; Y620-I624 HydrophobicContact CE1-CG1 4.48Å; Y620-I624 HydrophobicContact CE2-CD1 3.51Å; Y620-I624 HydrophobicContact CE2-CG1 4.46Å; Y620-I624 HydrophobicContact CG-CD1 4.17Å; Y620-I624 WeakPolarHBondContact O-CG1 3.48Å; Y620-I624 PolarHBondContact O-N 3.42Å; Y620-I624 VanDerWaalsContact OH-CD1 3.25Å; Y620-I624 WeakPolarHBondContact OH-CD1 3.48Å |
| 621 | N | 79.9 | Confident | 75.3 | Confident | 76 Ų | 76 | 110.1 Ų | 110.1 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 176.1 | -69.6 | -12.9 | 0 | 0 | 0 | 111.8 | Q617 K618 N623 I624 Y625 | Q617-N621 WeakPolarHBondContact O-CB 3.41Å; Q617-N621 VanDerWaalsContact O-CG 3.25Å; Q617-N621 PolarHBondContact O-N 3.24Å; K618-N621 PolarHBondContact O-N 2.98Å; N621-N623 VanDerWaalsContact C-N 3.34Å; N621-I624 PolarHBondContact O-N 3.16Å; N621-Y625 WeakPolarHBondContact O-CB 3.36Å; N621-Y625 PolarHBondContact O-N 3.02Å |
| 622 | E | 80.5 | Confident | 72.8 | Confident | 104 Ų | 104 | 113.8 Ų | 113.8 | 49% | 0.486 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 173.1 | -75.4 | 173.1 | -173.9 | 0 | 0 | 111.1 | K618 Q619 S626 | K618-E622 WeakPolarHBondContact CE-OE1 3.34Å; K618-E622 WeakPolarHBondContact O-CB 3.49Å; K618-E622 WeakPolarHBondContact O-CG 3.31Å; K618-E622 PolarHBondContact O-N 3Å; Q619-E622 PolarHBondContact O-N 3.45Å; E622-S626 VanDerWaalsContact O-CA 3.3Å; E622-S626 WeakPolarHBondContact O-CA 3.37Å; E622-S626 WeakPolarHBondContact O-CB 3.39Å; E622-S626 PolarHBondContact O-N 3.23Å |
| 623 | N | 76 | Confident | 70.2 | Confident | 103 Ų | 103 | 112.9 Ų | 112.9 | 55% | 0.551 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -73.7 | -27.9 | -179.5 | -72.6 | -12.9 | 0 | 0 | 0 | 114.2 | Q619 Y620 N621 A629 | Q619-N623 WeakPolarHBondContact O-CB 3.41Å; Q619-N623 VanDerWaalsContact O-CG 3.24Å; Q619-N623 PolarHBondContact O-N 2.99Å; Y620-N623 PolarHBondContact O-N 3.23Å; N621-N623 VanDerWaalsContact C-N 3.34Å; N623-A629 WeakPolarHBondContact O-CB 3.36Å |
| 624 | I | 68.2 | Low | 67.5 | Low | 64 Ų | 64 | 117 Ų | 117 | 33% | 0.328 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -85.3 | -37.7 | 179.5 | -72.6 | 177.1 | 0 | 0 | 0 | 112.1 | Y620 N621 | Y620-I624 HydrophobicContact CD1-CD1 3.76Å; Y620-I624 HydrophobicContact CD2-CD1 4.05Å; Y620-I624 HydrophobicContact CE1-CD1 3.19Å; Y620-I624 HydrophobicContact CE1-CG1 4.48Å; Y620-I624 HydrophobicContact CE2-CD1 3.51Å; Y620-I624 HydrophobicContact CE2-CG1 4.46Å; Y620-I624 HydrophobicContact CG-CD1 4.17Å; Y620-I624 WeakPolarHBondContact O-CG1 3.48Å; Y620-I624 PolarHBondContact O-N 3.42Å; Y620-I624 VanDerWaalsContact OH-CD1 3.25Å; Y620-I624 WeakPolarHBondContact OH-CD1 3.48Å; N621-I624 PolarHBondContact O-N 3.16Å |
| 625 | Y | 54.6 | Low | 64.8 | Low | 190 Ų | 190 | 118.4 Ų | 118.4 | 75% | 0.745 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -104.3 | 2.9 | -177.3 | -67.8 | -79.5 | 0 | 0 | 0 | 113.4 | N621 P627 | N621-Y625 WeakPolarHBondContact O-CB 3.36Å; N621-Y625 PolarHBondContact O-N 3.02Å; Y625-P627 WeakPolarHBondContact O-CD 3.48Å |
| 626 | S | 54.4 | Low | 62.3 | Low | 43 Ų | 43 | 119.8 Ų | 119.8 | 30% | 0.301 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -66.2 | 127.4 | 168.5 | 172.2 | 0 | 0 | 0 | 0 | 108.5 | E622 N628 A629 | E622-S626 VanDerWaalsContact O-CA 3.3Å; E622-S626 WeakPolarHBondContact O-CA 3.37Å; E622-S626 WeakPolarHBondContact O-CB 3.39Å; E622-S626 PolarHBondContact O-N 3.23Å; S626-N628 PolarHBondContact O-N 3.26Å; S626-N628 PolarHBondContact OG-N 3.46Å; S626-A629 WeakPolarHBondContact O-CB 3.44Å; S626-A629 PolarHBondContact O-N 3Å |
| 627 | P | 53.9 | Low | 59.6 | Low | 108 Ų | 108 | 126.3 Ų | 126.3 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -51.2 | -20.9 | 174.2 | -27.1 | 34.7 | 0 | 0 | 0 | 113.8 | Y625 | Y625-P627 WeakPolarHBondContact O-CD 3.48Š|
| 628 | N | 53.9 | Low | 57.3 | Low | 122 Ų | 122 | 128.8 Ų | 128.8 | 65% | 0.652 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -80.3 | -14.2 | 179.6 | -69 | -7.5 | 0 | 0 | 0 | 114.4 | S626 Y630 S631 | S626-N628 PolarHBondContact O-N 3.26Å; S626-N628 PolarHBondContact OG-N 3.46Å; N628-Y630 PolarHBondContact O-N 3.03Å; N628-S631 PolarHBondContact O-N 3.36Å |
| 629 | A | 51.8 | Low | 55 | Low | 58 Ų | 58 | 130.1 Ų | 130.1 | 48% | 0.479 | 65% | 0.645 | S | S | . | * | G | 310 helix | trans | -65.1 | -22.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | N623 S626 | N623-A629 WeakPolarHBondContact O-CB 3.36Å; S626-A629 WeakPolarHBondContact O-CB 3.44Å; S626-A629 PolarHBondContact O-N 3Å |
| 630 | Y | 46.4 | Very low | 53 | Low | 186 Ų | 186 | 135.8 Ų | 135.8 | 73% | 0.729 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -102.4 | 0.9 | 177.8 | -67.3 | -80.8 | 0 | 0 | 0 | 113.9 | N628 E632 | N628-Y630 PolarHBondContact O-N 3.03Å; Y630-E632 VanDerWaalsContact C-N 3.33Å; Y630-E632 PolarHBondContact O-N 3.43Å |
| 631 | S | 48.6 | Very low | 51.6 | Low | 77 Ų | 77 | 135 Ų | 135 | 54% | 0.538 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.4 | -4.5 | -177.5 | -68 | 0 | 0 | 0 | 0 | 114.5 | N628 C633 | N628-S631 PolarHBondContact O-N 3.36Å; S631-C633 VanDerWaalsContact C-N 3.26Å; S631-C633 PolarHBondContact O-N 3.11Å |
| 632 | E | 44.5 | Very low | 50.1 | Low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 13 | 173.4 | -72.9 | -171.2 | -179 | 0 | 0 | 114.1 | Y630 E634 | Y630-E632 VanDerWaalsContact C-N 3.33Å; Y630-E632 PolarHBondContact O-N 3.43Å; E632-E634 PolarHBondContact O-N 3.45Å |
| 633 | C | 40.7 | Very low | 48.4 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 72% | 0.716 | 71% | 0.707 | S | S | * | * | trans | -89 | 58.7 | 161.4 | -72.1 | 0 | 0 | 0 | 0 | 110.2 | S631 C635 | S631-C633 VanDerWaalsContact C-N 3.26Å; S631-C633 PolarHBondContact O-N 3.11Å; C633-C635 PolarHBondContact O-N 3.26Å | ||
| 634 | E | 39.1 | Very low | 46.8 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | trans | -66.9 | 89.7 | 161.9 | -83.5 | -172.4 | 162.4 | 0 | 0 | 108.3 | E632 K636 | E632-E634 PolarHBondContact O-N 3.45Å; E634-K636 PolarHBondContact O-N 3.1Å | ||
| 635 | C | 38.4 | Very low | 45.5 | Very low | 114 Ų | 114 | 147 Ų | 147 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | -52.9 | 108 | 162.3 | -72.1 | 0 | 0 | 0 | 0 | 108.2 | C633 R637 | C633-C635 PolarHBondContact O-N 3.26Å; C635-R637 PolarHBondContact O-N 3.33Å | ||
| 636 | K | 40.4 | Very low | 44.9 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | trans | -46.6 | 108.3 | 164.7 | -70.3 | 178 | 177.4 | 179.1 | 0 | 108.5 | E634 I638 | E634-K636 PolarHBondContact O-N 3.1Å; K636-I638 PolarHBondContact O-N 3.12Å; K636-I638 VanDerWaalsContact O-N 3.15Å | ||
| 637 | R | 36.3 | Very low | 44.2 | Very low | 226 Ų | 226 | 151.4 Ų | 151.4 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -62.5 | 112.5 | 162.6 | -75.7 | -175.5 | -178.9 | -166.7 | 0.2 | 106.7 | C635 E639 | C635-R637 PolarHBondContact O-N 3.33Å; R637-E639 PolarHBondContact O-N 3.29Å | ||
| 638 | I | 42.1 | Very low | 43.4 | Very low | 159 Ų | 159 | 154.7 Ų | 154.7 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -75.9 | 105.7 | 161.3 | -63.8 | 170.2 | 0 | 0 | 0 | 104.5 | K636 | K636-I638 PolarHBondContact O-N 3.12Å; K636-I638 VanDerWaalsContact O-N 3.15Å | ||
| 639 | E | 39.1 | Very low | 42.6 | Very low | 161 Ų | 161 | 157.4 Ų | 157.4 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -83 | 121.6 | 167.2 | -72.7 | -179.7 | 165.2 | 0 | 0 | 108.4 | R637 | R637-E639 PolarHBondContact O-N 3.29Š| ||
| 640 | I | 43.7 | Very low | 41.7 | Very low | 236 Ų | 236 | 166.5 Ų | 166.5 | 100% | 1.21 | 82% | 0.815 | S | S | * | * | trans | 66.6 | 0 | 162.4 | -50.7 | 176.7 | 0 | 0 | 0 | 116.7 |
Retrieved 640 of 640 residues in 360.6 ms
(Link to these results)