| 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 | 51.1 | Low | 71.6 | Confident | 247 Ų | 247 | 188 Ų | 188 | 100% | 1.217 | 89% | 0.891 | S | S | * | * | 0 | 101.5 | 0 | -69.8 | 157.5 | 97.9 | 0 | 0 | 108 | |||||
| 2 | S | 59.8 | Low | 72.2 | Confident | 118 Ų | 118 | 189.1 Ų | 189.1 | 83% | 0.825 | 89% | 0.89 | S | S | * | * | trans | -151 | 78.2 | 178.1 | 57.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 3 | M | 56.1 | Low | 72.9 | Confident | 186 Ų | 186 | 190.5 Ų | 190.5 | 92% | 0.916 | 88% | 0.882 | S | S | * | * | trans | -136.6 | 25.9 | -173.1 | -74.8 | -91.2 | -158.5 | 0 | 0 | 112.2 | ||||
| 4 | L | 71 | Confident | 73.4 | Confident | 178 Ų | 178 | 181.8 Ų | 181.8 | 93% | 0.932 | 86% | 0.859 | S | S | * | * | trans | -122 | 14.9 | -174 | -95.3 | 89.5 | 0 | 0 | 0 | 115.4 | ||||
| 5 | A | 74.3 | Confident | 74.1 | Confident | 97 Ų | 97 | 180.2 Ų | 180.2 | 80% | 0.802 | 87% | 0.866 | S | S | * | * | S | Bend | trans | -117.7 | 115.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 6 | E | 75.6 | Confident | 74.9 | Confident | 175 Ų | 175 | 171.6 Ų | 171.6 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -60.1 | 141.8 | 174.7 | -167.1 | 177.3 | 178.9 | 0 | 0 | 110.6 | R8 | E6-R8 PolarHBondContact O-N 3.38Å; E6-R8 VanDerWaalsContact O-N 3.11Å | ||
| 7 | R | 79.6 | Confident | 75.4 | Confident | 223 Ų | 223 | 167.5 Ų | 167.5 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | -64.9 | 114.6 | -177.9 | -174 | 176.2 | -175.4 | 170.5 | 2.1 | 109.5 | R9 | R7-R9 PolarHBondContact O-N 3.35Š| ||
| 8 | R | 78.4 | Confident | 75.8 | Confident | 246 Ų | 246 | 167.2 Ų | 167.2 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | trans | -54.5 | 105.9 | 178.3 | -59.6 | -178 | 88.6 | 157.2 | 5.8 | 110.5 | E6 | E6-R8 PolarHBondContact O-N 3.38Å; E6-R8 VanDerWaalsContact O-N 3.11Å | ||
| 9 | R | 82.3 | Confident | 76.3 | Confident | 223 Ų | 223 | 163.2 Ų | 163.2 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -90.2 | 129.4 | 172.7 | -69.7 | -176.9 | 178 | 178.7 | 0.2 | 108.7 | R7 Q11 | R7-R9 PolarHBondContact O-N 3.35Å; R9-Q11 PolarHBondContact O-N 2.61Å | ||
| 10 | K | 79.6 | Confident | 76.9 | Confident | 211 Ų | 211 | 158 Ų | 158 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | trans | -79.9 | 112 | 170.1 | -66.6 | -173.3 | 177.4 | -175 | 0 | 107.8 | K12 | K10-K12 PolarHBondContact O-N 3.45Š| ||
| 11 | Q | 79.9 | Confident | 77.3 | Confident | 164 Ų | 164 | 153.9 Ų | 153.9 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 122.3 | 172.3 | -169.6 | 172.2 | -12.3 | 0 | 0 | 108.3 | R9 W13 | R9-Q11 PolarHBondContact O-N 2.61Å; Q11-W13 PolarHBondContact O-N 2.97Å |
| 12 | K | 79.1 | Confident | 78.9 | Confident | 201 Ų | 201 | 150.1 Ų | 150.1 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 116.3 | 170.4 | -71.2 | -179.6 | 176.2 | 179.4 | 0 | 107.1 | K10 | K10-K12 PolarHBondContact O-N 3.45Š|
| 13 | W | 80.6 | Confident | 80 | Confident | 207 Ų | 207 | 148.2 Ų | 148.2 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 140.5 | 169 | -65.1 | 1.8 | 0 | 0 | 0 | 108.1 | Q11 | Q11-W13 PolarHBondContact O-N 2.97Š|
| 14 | A | 80.5 | Confident | 81.4 | Confident | 69 Ų | 69 | 144.3 Ų | 144.3 | 57% | 0.57 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -61 | 153.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | D16 | A14-D16 PolarHBondContact O-N 3.35Å; A14-D16 VanDerWaalsContact O-N 3.15Å |
| 15 | V | 84.1 | Confident | 82.3 | Confident | 158 Ų | 158 | 138.6 Ų | 138.6 | 96% | 0.958 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -56.2 | -30.8 | 179.4 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 16 | D | 86.8 | Confident | 82.9 | Confident | 42 Ų | 42 | 137.6 Ų | 137.6 | 23% | 0.225 | 66% | 0.659 | C | S | . | * | trans | -130.1 | 92.1 | 174.8 | -175 | 0.6 | 0 | 0 | 0 | 110.4 | A14 Q18 N19 T20 A21 | A14-D16 PolarHBondContact O-N 3.35Å; A14-D16 VanDerWaalsContact O-N 3.15Å; D16-Q18 PolarHBondContact O-N 2.99Å; D16-Q18 PolarHBondContact OD1-N 2.69Å; D16-N19 VanDerWaalsContact CG-CA 3.47Å; D16-N19 VanDerWaalsContact CG-N 3.35Å; D16-N19 PolarHBondContact O-N 3.42Å; D16-N19 PolarHBondContact OD1-N 2.8Å; D16-N19 VanDerWaalsContact OD2-CA 3.22Å; D16-N19 WeakPolarHBondContact OD2-CA 3.12Å; D16-T20 VanDerWaalsContact CG-N 3.33Å; D16-T20 PolarHBondContact OD1-N 3.33Å; D16-T20 PolarHBondContact OD1-OG1 2.89Å; D16-T20 VanDerWaalsContact OD1-OG1 3.14Å; D16-T20 PolarHBondContact OD2-N 3.36Å; D16-T20 PolarHBondContact OD2-OG1 3.41Å; D16-A21 WeakPolarHBondContact OD2-CB 3.5Å; D16-A21 PolarHBondContact OD2-N 3.13Å | ||
| 17 | P | 83.7 | Confident | 83.5 | Confident | 102 Ų | 102 | 133.2 Ų | 133.2 | 66% | 0.662 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -18.7 | -177.8 | 27.7 | -33.8 | 0 | 0 | 0 | 113.4 | ||
| 18 | Q | 82.6 | Confident | 84 | Confident | 162 Ų | 162 | 124.3 Ų | 124.3 | 76% | 0.757 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 0.6 | 179.1 | -70.1 | -168.9 | -16.8 | 0 | 0 | 113 | D16 T20 | D16-Q18 PolarHBondContact O-N 2.99Å; D16-Q18 PolarHBondContact OD1-N 2.69Å; Q18-T20 HydrophobicContact CB-CG2 3.91Å; Q18-T20 PolarHBondContact O-N 2.97Å |
| 19 | N | 85.7 | Confident | 84.7 | Confident | 91 Ų | 91 | 121 Ų | 121 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | trans | 51.6 | 34.8 | -177 | -157.9 | 17.3 | 0 | 0 | 0 | 113.5 | D16 A21 W22 S23 | D16-N19 VanDerWaalsContact CG-CA 3.47Å; D16-N19 VanDerWaalsContact CG-N 3.35Å; D16-N19 PolarHBondContact O-N 3.42Å; D16-N19 PolarHBondContact OD1-N 2.8Å; D16-N19 VanDerWaalsContact OD2-CA 3.22Å; D16-N19 WeakPolarHBondContact OD2-CA 3.12Å; N19-A21 VanDerWaalsContact C-N 3.32Å; N19-A21 PolarHBondContact O-N 3.3Å; N19-W22 VanDerWaalsContact CG-CB 3.43Å; N19-W22 WeakPolarHBondContact O-CB 3.3Å; N19-W22 PolarHBondContact O-N 3.42Å; N19-W22 VanDerWaalsContact O-N 3.14Å; N19-W22 WeakPolarHBondContact OD1-CB 3.35Å; N19-S23 PolarHBondContact O-N 3.16Å; N19-S23 VanDerWaalsContact O-N 3.16Å | ||
| 20 | T | 86.6 | Confident | 85.2 | Confident | 60 Ų | 60 | 112.2 Ų | 112.2 | 37% | 0.368 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.9 | -32.5 | 178.9 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | D16 Q18 W22 S23 N24 | D16-T20 VanDerWaalsContact CG-N 3.33Å; D16-T20 PolarHBondContact OD1-N 3.33Å; D16-T20 PolarHBondContact OD1-OG1 2.89Å; D16-T20 VanDerWaalsContact OD1-OG1 3.14Å; D16-T20 PolarHBondContact OD2-N 3.36Å; D16-T20 PolarHBondContact OD2-OG1 3.41Å; Q18-T20 HydrophobicContact CB-CG2 3.91Å; Q18-T20 PolarHBondContact O-N 2.97Å; T20-W22 PolarHBondContact O-N 3.39Å; T20-S23 WeakPolarHBondContact CA-OG 3.43Å; T20-S23 PolarHBondContact O-N 2.86Å; T20-S23 PolarHBondContact O-OG 3.1Å; T20-S23 VanDerWaalsContact O-OG 3.12Å; T20-N24 WeakPolarHBondContact O-CB 3.36Å; T20-N24 PolarHBondContact O-N 3.24Å; T20-N24 VanDerWaalsContact O-N 3.13Å; T20-N24 PolarHBondContact O-ND2 3.26Å |
| 21 | A | 86.4 | Confident | 85.8 | Confident | 72 Ų | 72 | 103.4 Ų | 103.4 | 60% | 0.595 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62 | -33.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | D16 N19 | D16-A21 WeakPolarHBondContact OD2-CB 3.5Å; D16-A21 PolarHBondContact OD2-N 3.13Å; N19-A21 VanDerWaalsContact C-N 3.32Å; N19-A21 PolarHBondContact O-N 3.3Å |
| 22 | W | 84.6 | Confident | 86.4 | Confident | 168 Ų | 168 | 102.7 Ų | 102.7 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -75.7 | -42.8 | 176 | -174.2 | -80.9 | 0 | 0 | 0 | 112.2 | N19 T20 N24 K28 | N19-W22 VanDerWaalsContact CG-CB 3.43Å; N19-W22 WeakPolarHBondContact O-CB 3.3Å; N19-W22 PolarHBondContact O-N 3.42Å; N19-W22 VanDerWaalsContact O-N 3.14Å; N19-W22 WeakPolarHBondContact OD1-CB 3.35Å; T20-W22 PolarHBondContact O-N 3.39Å; W22-N24 VanDerWaalsContact C-N 3.28Å; W22-N24 PolarHBondContact O-N 3.27Å; W22-K28 VanDerWaalsContact C-NZ 3.28Å; W22-K28 VanDerWaalsContact CD1-NZ 3.33Å; W22-K28 HydrophobicContact CD2-CD 4.49Å; W22-K28 HydrophobicContact CZ2-CD 4.1Å; W22-K28 PolarHBondContact O-NZ 3.48Å |
| 23 | S | 83.2 | Confident | 87.2 | Confident | 78 Ų | 78 | 97.3 Ų | 97.3 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.5 | -26 | -177.5 | 63.1 | 0 | 0 | 0 | 0 | 113.9 | N19 T20 | N19-S23 PolarHBondContact O-N 3.16Å; N19-S23 VanDerWaalsContact O-N 3.16Å; T20-S23 WeakPolarHBondContact CA-OG 3.43Å; T20-S23 PolarHBondContact O-N 2.86Å; T20-S23 PolarHBondContact O-OG 3.1Å; T20-S23 VanDerWaalsContact O-OG 3.12Å |
| 24 | N | 85.7 | Confident | 87.8 | Confident | 104 Ų | 104 | 90.9 Ų | 90.9 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -1.1 | -175.9 | -66.9 | -49.7 | 0 | 0 | 0 | 114.5 | T20 W22 D26 | T20-N24 WeakPolarHBondContact O-CB 3.36Å; T20-N24 PolarHBondContact O-N 3.24Å; T20-N24 VanDerWaalsContact O-N 3.13Å; T20-N24 PolarHBondContact O-ND2 3.26Å; W22-N24 VanDerWaalsContact C-N 3.28Å; W22-N24 PolarHBondContact O-N 3.27Å; N24-D26 PolarHBondContact O-N 3.48Å |
| 25 | D | 89.4 | Confident | 88.4 | Confident | 57 Ų | 57 | 91.6 Ų | 91.6 | 31% | 0.305 | 49% | 0.491 | S | S | . | . | trans | -84.4 | 105.3 | -177.6 | 176.8 | 12.7 | 0 | 0 | 0 | 111.6 | S27 K28 Q31 | D25-S27 PolarHBondContact O-N 3.35Å; D25-S27 WeakPolarHBondContact OD1-CB 3.38Å; D25-S27 PolarHBondContact OD1-N 3.28Å; D25-S27 PolarHBondContact OD1-OG 3.02Å; D25-S27 PolarHBondContact OD2-OG 3.01Å; D25-K28 HydrophobicContact CB-CD 4.33Å; D25-K28 HydrophobicContact CB-CG 4.35Å; D25-K28 WeakPolarHBondContact OD2-CE 3.32Å; D25-K28 IonicContact OD2-NZ 2.75Å; D25-Q31 PolarHBondContact O-OE1 3.05Å | ||
| 26 | D | 85.8 | Confident | 89 | Confident | 76 Ų | 76 | 92.1 Ų | 92.1 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11 | -178.3 | -65.1 | -34.7 | 0 | 0 | 0 | 114 | N24 K28 Q31 K41 | N24-D26 PolarHBondContact O-N 3.48Å; D26-K28 VanDerWaalsContact C-N 3.29Å; D26-K28 PolarHBondContact O-N 2.66Å; D26-Q31 PolarHBondContact OD1-NE2 3.05Å; D26-Q31 PolarHBondContact OD1-OE1 3.02Å; D26-K41 VanDerWaalsContact CG-NZ 3.25Å; D26-K41 WeakPolarHBondContact OD1-CE 3.37Å; D26-K41 IonicContact OD1-NZ 2.99Å; D26-K41 PolarHBondContact OD1-NZ 3.28Å; D26-K41 IonicContact OD2-NZ 3.94Å; D26-K41 PolarHBondContact OD2-NZ 3.35Å |
| 27 | S | 88.4 | Confident | 89.3 | Confident | 83 Ų | 83 | 97 Ų | 97 | 58% | 0.58 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -0.9 | -174.2 | 73.5 | 0 | 0 | 0 | 0 | 114.5 | D25 R32 | D25-S27 PolarHBondContact O-N 3.35Å; D25-S27 WeakPolarHBondContact OD1-CB 3.38Å; D25-S27 PolarHBondContact OD1-N 3.28Å; D25-S27 PolarHBondContact OD1-OG 3.02Å; D25-S27 PolarHBondContact OD2-OG 3.01Å; S27-R32 WeakPolarHBondContact O-CD 3.24Å |
| 28 | K | 90.6 | Very high | 89.7 | Confident | 36 Ų | 36 | 95.3 Ų | 95.3 | 16% | 0.157 | 51% | 0.505 | C | S | . | . | trans | -73.1 | 147 | -169.2 | -70.9 | -174.5 | 174.7 | 159.9 | 0 | 113.8 | W22 D25 D26 G30 Q31 R32 | W22-K28 VanDerWaalsContact C-NZ 3.28Å; W22-K28 VanDerWaalsContact CD1-NZ 3.33Å; W22-K28 HydrophobicContact CD2-CD 4.49Å; W22-K28 HydrophobicContact CZ2-CD 4.1Å; W22-K28 PolarHBondContact O-NZ 3.48Å; D25-K28 HydrophobicContact CB-CD 4.33Å; D25-K28 HydrophobicContact CB-CG 4.35Å; D25-K28 WeakPolarHBondContact OD2-CE 3.32Å; D25-K28 IonicContact OD2-NZ 2.75Å; D26-K28 VanDerWaalsContact C-N 3.29Å; D26-K28 PolarHBondContact O-N 2.66Å; K28-G30 VanDerWaalsContact C-N 3.33Å; K28-G30 PolarHBondContact O-N 3.29Å; K28-Q31 HydrophobicContact CB-CB 4.44Å; K28-Q31 PolarHBondContact O-N 3.14Å; K28-Q31 VanDerWaalsContact O-N 3.13Å; K28-R32 WeakPolarHBondContact O-CG 3.47Å; K28-R32 PolarHBondContact O-N 3.34Å | ||
| 29 | F | 93.1 | Very high | 90.3 | Very high | 176 Ų | 176 | 90.7 Ų | 90.7 | 77% | 0.772 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -51.1 | -49.8 | 177.4 | 175.1 | -99.3 | 0 | 0 | 0 | 112.9 | Q31 R32 M33 | F29-Q31 VanDerWaalsContact C-N 3.34Å; F29-Q31 PolarHBondContact O-N 2.82Å; F29-R32 PolarHBondContact O-N 3.16Å; F29-M33 WeakPolarHBondContact O-CB 3.43Å; F29-M33 PolarHBondContact O-N 2.8Å |
| 30 | G | 92.5 | Very high | 90.5 | Very high | 39 Ų | 39 | 88.8 Ų | 88.8 | 40% | 0.402 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K28 M33 L34 | K28-G30 VanDerWaalsContact C-N 3.33Å; K28-G30 PolarHBondContact O-N 3.29Å; G30-M33 PolarHBondContact O-N 3.35Å; G30-L34 WeakPolarHBondContact O-CG 3.47Å; G30-L34 PolarHBondContact O-N 2.65Å |
| 31 | Q | 92 | Very high | 90.6 | Very high | 27 Ų | 27 | 91.4 Ų | 91.4 | 13% | 0.126 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -68 | -48.9 | 177.2 | 176.4 | 161.7 | -8.5 | 0 | 0 | 111.9 | D25 D26 K28 F29 M33 L34 E35 W39 | D25-Q31 PolarHBondContact O-OE1 3.05Å; D26-Q31 PolarHBondContact OD1-NE2 3.05Å; D26-Q31 PolarHBondContact OD1-OE1 3.02Å; K28-Q31 HydrophobicContact CB-CB 4.44Å; K28-Q31 PolarHBondContact O-N 3.14Å; K28-Q31 VanDerWaalsContact O-N 3.13Å; F29-Q31 VanDerWaalsContact C-N 3.34Å; F29-Q31 PolarHBondContact O-N 2.82Å; Q31-M33 PolarHBondContact O-N 3.13Å; Q31-L34 PolarHBondContact O-N 3.36Å; Q31-L34 VanDerWaalsContact O-N 3.1Å; Q31-E35 HydrophobicContact CG-CG 4.33Å; Q31-E35 VanDerWaalsContact CG-OE1 3.3Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.42Å; Q31-E35 PolarHBondContact NE2-OE1 3.12Å; Q31-E35 WeakPolarHBondContact O-CG 3.31Å; Q31-E35 PolarHBondContact O-N 2.94Å; Q31-W39 HydrophobicContact CG-CZ3 4.34Å |
| 32 | R | 93.8 | Very high | 90.8 | Very high | 148 Ų | 148 | 90.4 Ų | 90.4 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.7 | -34 | 177 | -65.6 | -180 | 76.1 | -167.6 | 5.6 | 112.2 | S27 K28 F29 K36 | S27-R32 WeakPolarHBondContact O-CD 3.24Å; K28-R32 WeakPolarHBondContact O-CG 3.47Å; K28-R32 PolarHBondContact O-N 3.34Å; F29-R32 PolarHBondContact O-N 3.16Å; R32-K36 VanDerWaalsContact O-CG 3.24Å; R32-K36 WeakPolarHBondContact O-CG 3.44Å; R32-K36 PolarHBondContact O-N 2.83Å; R32-K36 VanDerWaalsContact O-N 3.16Å |
| 33 | M | 94.6 | Very high | 91.1 | Very high | 89 Ų | 89 | 86.5 Ų | 86.5 | 44% | 0.438 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.9 | -45 | 175.2 | -176.4 | 63.6 | 177.5 | 0 | 0 | 111.6 | F29 G30 Q31 K36 M37 | F29-M33 WeakPolarHBondContact O-CB 3.43Å; F29-M33 PolarHBondContact O-N 2.8Å; G30-M33 PolarHBondContact O-N 3.35Å; Q31-M33 PolarHBondContact O-N 3.13Å; M33-K36 PolarHBondContact O-N 3.32Å; M33-M37 HydrophobicContact CE-CE 3.54Å; M33-M37 WeakPolarHBondContact O-CG 3.09Å; M33-M37 PolarHBondContact O-N 3.14Å |
| 34 | L | 93.6 | Very high | 91.6 | Very high | 72 Ų | 72 | 83.2 Ų | 83.2 | 38% | 0.377 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.4 | -76.2 | 168.2 | 0 | 0 | 0 | 111.7 | G30 Q31 K36 M37 G38 W39 L45 | G30-L34 WeakPolarHBondContact O-CG 3.47Å; G30-L34 PolarHBondContact O-N 2.65Å; Q31-L34 PolarHBondContact O-N 3.36Å; Q31-L34 VanDerWaalsContact O-N 3.1Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 3.04Å; L34-M37 CarbonylContact O-C 3.56Å; L34-M37 WeakPolarHBondContact O-CA 3.43Å; L34-M37 PolarHBondContact O-N 3.42Å; L34-G38 PolarHBondContact O-N 3.22Å; L34-W39 HydrophobicContact CB-CB 4Å; L34-W39 HydrophobicContact CB-CD2 4.1Å; L34-W39 HydrophobicContact CB-CE3 3.67Å; L34-W39 HydrophobicContact CB-CG 4.28Å; L34-W39 HydrophobicContact CB-CZ3 4.48Å; L34-W39 HydrophobicContact CD1-CE3 4.27Å; L34-W39 VanDerWaalsContact O-CB 3.29Å; L34-W39 WeakPolarHBondContact O-CB 3.29Å; L34-W39 PolarHBondContact O-N 2.93Å; L34-L45 HydrophobicContact CD2-CD2 4.34Å |
| 35 | E | 93.8 | Very high | 91.9 | Very high | 84 Ų | 84 | 83.2 Ų | 83.2 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 177.2 | -73.1 | 172.8 | -177.6 | 0 | 0 | 112.4 | Q31 M37 G38 W39 | Q31-E35 HydrophobicContact CG-CG 4.33Å; Q31-E35 VanDerWaalsContact CG-OE1 3.3Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.42Å; Q31-E35 PolarHBondContact NE2-OE1 3.12Å; Q31-E35 WeakPolarHBondContact O-CG 3.31Å; Q31-E35 PolarHBondContact O-N 2.94Å; E35-M37 PolarHBondContact O-N 3.04Å; E35-G38 PolarHBondContact O-N 3.15Å; E35-W39 WeakPolarHBondContact CA-O 3.32Å; E35-W39 HydrophobicContact CG-CE3 4.45Å |
| 36 | K | 95.3 | Very high | 92 | Very high | 168 Ų | 168 | 82.7 Ų | 82.7 | 73% | 0.73 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62 | -28.5 | 173.6 | -77.5 | 175.7 | 178.1 | -169.9 | 0 | 113.5 | R32 M33 L34 | R32-K36 VanDerWaalsContact O-CG 3.24Å; R32-K36 WeakPolarHBondContact O-CG 3.44Å; R32-K36 PolarHBondContact O-N 2.83Å; R32-K36 VanDerWaalsContact O-N 3.16Å; M33-K36 PolarHBondContact O-N 3.32Å; L34-K36 VanDerWaalsContact C-N 3.33Å; L34-K36 PolarHBondContact O-N 3.04Å |
| 37 | M | 93.6 | Very high | 92.3 | Very high | 144 Ų | 144 | 83.7 Ų | 83.7 | 71% | 0.709 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 6.7 | 176.7 | -64.6 | -65.7 | -178 | 0 | 0 | 112.8 | M33 L34 E35 | M33-M37 HydrophobicContact CE-CE 3.54Å; M33-M37 WeakPolarHBondContact O-CG 3.09Å; M33-M37 PolarHBondContact O-N 3.14Å; L34-M37 CarbonylContact O-C 3.56Å; L34-M37 WeakPolarHBondContact O-CA 3.43Å; L34-M37 PolarHBondContact O-N 3.42Å; E35-M37 PolarHBondContact O-N 3.04Å |
| 38 | G | 92.9 | Very high | 92.4 | Very high | 68 Ų | 68 | 87.5 Ų | 87.5 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | 6.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L34 E35 | L34-G38 PolarHBondContact O-N 3.22Å; E35-G38 PolarHBondContact O-N 3.15Å |
| 39 | W | 93.9 | Very high | 92.4 | Very high | 65 Ų | 65 | 90.5 Ų | 90.5 | 25% | 0.246 | 49% | 0.493 | C | S | . | . | trans | -74.3 | 147.6 | 170.2 | -178 | 73.5 | 0 | 0 | 0 | 110.5 | Q31 L34 E35 K43 L45 | Q31-W39 HydrophobicContact CG-CZ3 4.34Å; L34-W39 HydrophobicContact CB-CB 4Å; L34-W39 HydrophobicContact CB-CD2 4.1Å; L34-W39 HydrophobicContact CB-CE3 3.67Å; L34-W39 HydrophobicContact CB-CG 4.28Å; L34-W39 HydrophobicContact CB-CZ3 4.48Å; L34-W39 HydrophobicContact CD1-CE3 4.27Å; L34-W39 VanDerWaalsContact O-CB 3.29Å; L34-W39 WeakPolarHBondContact O-CB 3.29Å; L34-W39 PolarHBondContact O-N 2.93Å; E35-W39 WeakPolarHBondContact CA-O 3.32Å; E35-W39 HydrophobicContact CG-CE3 4.45Å; W39-K43 PolarHBondContact NE1-O 3.17Å; W39-L45 VanDerWaalsContact CD1-CD2 3.47Å; W39-L45 HydrophobicContact CG-CD2 4.08Å | ||
| 40 | S | 90.9 | Very high | 92.5 | Very high | 50 Ų | 50 | 88.5 Ų | 88.5 | 35% | 0.35 | 49% | 0.486 | S | S | . | . | trans | -132.3 | 149 | 173.6 | 50.2 | 0 | 0 | 0 | 0 | 111.1 | G42 K43 | S40-G42 PolarHBondContact O-N 2.76Å; S40-K43 WeakPolarHBondContact O-CB 3.45Å; S40-K43 PolarHBondContact O-N 3.4Å; S40-K43 WeakPolarHBondContact OG-CD 3.42Å; S40-K43 WeakPolarHBondContact OG-CE 3.33Å; S40-K43 WeakPolarHBondContact OG-CG 3.48Å | ||
| 41 | K | 89.3 | Confident | 92.5 | Very high | 116 Ų | 116 | 88 Ų | 88 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 125.6 | -177 | -173.8 | 172.6 | -177.8 | 168.3 | 0 | 110.5 | D26 | D26-K41 VanDerWaalsContact CG-NZ 3.25Å; D26-K41 WeakPolarHBondContact OD1-CE 3.37Å; D26-K41 IonicContact OD1-NZ 2.99Å; D26-K41 PolarHBondContact OD1-NZ 3.28Å; D26-K41 IonicContact OD2-NZ 3.94Å; D26-K41 PolarHBondContact OD2-NZ 3.35Å |
| 42 | G | 88.8 | Confident | 92.6 | Very high | 51 Ų | 51 | 91 Ų | 91 | 53% | 0.526 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.4 | -12 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S40 | S40-G42 PolarHBondContact O-N 2.76Š|
| 43 | K | 92.2 | Very high | 92.4 | Very high | 86 Ų | 86 | 88.2 Ų | 88.2 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 144 | 175.7 | -62.4 | -163.5 | 168.7 | -148.9 | 0 | 112.4 | W39 S40 E49 | W39-K43 PolarHBondContact NE1-O 3.17Å; S40-K43 WeakPolarHBondContact O-CB 3.45Å; S40-K43 PolarHBondContact O-N 3.4Å; S40-K43 WeakPolarHBondContact OG-CD 3.42Å; S40-K43 WeakPolarHBondContact OG-CE 3.33Å; S40-K43 WeakPolarHBondContact OG-CG 3.48Å; K43-E49 VanDerWaalsContact CD-CD 3.48Å; K43-E49 HydrophobicContact CD-CG 4.49Å; K43-E49 VanDerWaalsContact CD-OE1 3.31Å; K43-E49 WeakPolarHBondContact CD-OE1 3.15Å; K43-E49 VanDerWaalsContact CD-OE2 3.32Å; K43-E49 WeakPolarHBondContact CD-OE2 3.47Å; K43-E49 IonicContact NZ-OE1 2.69Å; K43-E49 PolarHBondContact NZ-OE1 3.18Å; K43-E49 IonicContact NZ-OE2 3.78Å; K43-E49 PolarHBondContact NZ-OE2 2.82Å |
| 44 | G | 92.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 89.9 Ų | 89.9 | 9% | 0.093 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 154 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E49 G51 | G44-E49 WeakPolarHBondContact CA-O 2.99Å; G44-E49 WeakPolarHBondContact O-CA 3.22Å; G44-G51 WeakPolarHBondContact CA-O 3.44Å |
| 45 | L | 91.5 | Very high | 92 | Very high | 103 Ų | 103 | 93.3 Ų | 93.3 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -78.9 | 151.6 | 170.8 | -67.6 | 171.7 | 0 | 0 | 0 | 110.7 | L34 W39 G51 | L34-L45 HydrophobicContact CD2-CD2 4.34Å; W39-L45 VanDerWaalsContact CD1-CD2 3.47Å; W39-L45 HydrophobicContact CG-CD2 4.08Å; L45-G51 VanDerWaalsContact O-CA 3.22Å; L45-G51 WeakPolarHBondContact O-CA 3.22Å; L45-G51 PolarHBondContact O-N 3.39Å |
| 46 | G | 92.6 | Very high | 91.9 | Very high | 46 Ų | 46 | 96.9 Ų | 96.9 | 47% | 0.474 | 55% | 0.554 | S | S | . | * | S | Bend | trans | 121.2 | 165.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q48 E49 | G46-Q48 PolarHBondContact O-N 3.14Å; G46-E49 PolarHBondContact O-N 3.45Å |
| 47 | A | 91.4 | Very high | 91.7 | Very high | 97 Ų | 97 | 96.3 Ų | 96.3 | 80% | 0.802 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -28.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 48 | Q | 91.4 | Very high | 91.5 | Very high | 164 Ų | 164 | 95.5 Ų | 95.5 | 77% | 0.766 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 21.1 | 175.8 | -63.3 | -64.7 | -47.6 | 0 | 0 | 111.1 | G46 Q50 | G46-Q48 PolarHBondContact O-N 3.14Å; Q48-Q50 VanDerWaalsContact C-OE1 3.32Å; Q48-Q50 PolarHBondContact O-N 3.14Å; Q48-Q50 VanDerWaalsContact O-N 3.14Å |
| 49 | E | 91 | Very high | 91.2 | Very high | 99 Ų | 99 | 101.3 Ų | 101.3 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | S | Bend | trans | 60.2 | 24.8 | 179.8 | -51.1 | 174.9 | 171.3 | 0 | 0 | 113.3 | K43 G44 G46 G51 | K43-E49 VanDerWaalsContact CD-CD 3.48Å; K43-E49 HydrophobicContact CD-CG 4.49Å; K43-E49 VanDerWaalsContact CD-OE1 3.31Å; K43-E49 WeakPolarHBondContact CD-OE1 3.15Å; K43-E49 VanDerWaalsContact CD-OE2 3.32Å; K43-E49 WeakPolarHBondContact CD-OE2 3.47Å; K43-E49 IonicContact NZ-OE1 2.69Å; K43-E49 PolarHBondContact NZ-OE1 3.18Å; K43-E49 IonicContact NZ-OE2 3.78Å; K43-E49 PolarHBondContact NZ-OE2 2.82Å; G44-E49 WeakPolarHBondContact CA-O 2.99Å; G44-E49 WeakPolarHBondContact O-CA 3.22Å; G46-E49 PolarHBondContact O-N 3.45Å; E49-G51 VanDerWaalsContact C-N 3.3Å; E49-G51 PolarHBondContact O-N 3.48Å |
| 50 | Q | 93.6 | Very high | 90.9 | Very high | 134 Ų | 134 | 103.6 Ų | 103.6 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | trans | -76.8 | -7.5 | -171.9 | 71.7 | -78.4 | -6.9 | 0 | 0 | 115.4 | Q48 | Q48-Q50 VanDerWaalsContact C-OE1 3.32Å; Q48-Q50 PolarHBondContact O-N 3.14Å; Q48-Q50 VanDerWaalsContact O-N 3.14Å | ||
| 51 | G | 94.1 | Very high | 90.7 | Very high | 28 Ų | 28 | 106.2 Ų | 106.2 | 29% | 0.289 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -69.3 | 152.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G44 L45 E49 T53 | G44-G51 WeakPolarHBondContact CA-O 3.44Å; L45-G51 VanDerWaalsContact O-CA 3.22Å; L45-G51 WeakPolarHBondContact O-CA 3.22Å; L45-G51 PolarHBondContact O-N 3.39Å; E49-G51 VanDerWaalsContact C-N 3.3Å; E49-G51 PolarHBondContact O-N 3.48Å; G51-T53 PolarHBondContact O-N 3.22Å |
| 52 | A | 92.4 | Very high | 90.6 | Very high | 91 Ų | 91 | 106.9 Ų | 106.9 | 75% | 0.752 | 60% | 0.598 | S | S | * | * | trans | -64.4 | 134.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D54 | A52-D54 VanDerWaalsContact C-N 3.34Š| ||
| 53 | T | 91.1 | Very high | 90.4 | Very high | 89 Ų | 89 | 109.7 Ų | 109.7 | 55% | 0.546 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -71.9 | -32.3 | 175.6 | -47.2 | 0 | 0 | 0 | 0 | 111.8 | G51 | G51-T53 PolarHBondContact O-N 3.22Š|
| 54 | D | 89.6 | Confident | 90.1 | Very high | 124 Ų | 124 | 115.2 Ų | 115.2 | 66% | 0.663 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -99 | 149.5 | -178.6 | -70.9 | -30.2 | 0 | 0 | 0 | 112 | A52 | A52-D54 VanDerWaalsContact C-N 3.34Š|
| 55 | H | 88.9 | Confident | 89.6 | Confident | 143 Ų | 143 | 119.3 Ų | 119.3 | 66% | 0.662 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 152.8 | 172.7 | 61.7 | -84.6 | 0 | 0 | 0 | 111.6 | K57 | H55-K57 PolarHBondContact O-N 3.1Š|
| 56 | I | 92 | Very high | 89.3 | Confident | 159 Ų | 159 | 116.7 Ų | 116.7 | 82% | 0.815 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 126.1 | 174.4 | -58.3 | 172.6 | 0 | 0 | 0 | 109.1 | ||
| 57 | K | 90.6 | Very high | 88.9 | Confident | 157 Ų | 157 | 122.2 Ų | 122.2 | 68% | 0.683 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 120.9 | 177.1 | -67.4 | 176.5 | -175.4 | 169.2 | 0 | 110.1 | H55 | H55-K57 PolarHBondContact O-N 3.1Š|
| 58 | V | 89.9 | Confident | 88.3 | Confident | 126 Ų | 126 | 121.4 Ų | 121.4 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 124.3 | 174.6 | -177 | 0 | 0 | 0 | 0 | 109.1 | ||
| 59 | Q | 86.4 | Confident | 87.6 | Confident | 190 Ų | 190 | 115.5 Ų | 115.5 | 89% | 0.888 | 64% | 0.643 | S | S | * | * | trans | -86.6 | 114.7 | 170.7 | -67.6 | -170.8 | -10.2 | 0 | 0 | 109.3 | ||||
| 60 | V | 87.3 | Confident | 86.7 | Confident | 113 Ų | 113 | 114.7 Ų | 114.7 | 69% | 0.685 | 65% | 0.645 | S | S | * | * | trans | -81 | 123.1 | 176.2 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | N62 | V60-N62 VanDerWaalsContact CG1-OD1 3.3Å; V60-N62 WeakPolarHBondContact CG1-OD1 3.37Å; V60-N62 PolarHBondContact O-N 3.31Å | ||
| 61 | K | 87.3 | Confident | 85.4 | Confident | 105 Ų | 105 | 115.7 Ų | 115.7 | 46% | 0.457 | 65% | 0.653 | S | S | . | * | trans | -83.9 | 104.2 | 176.1 | -176.6 | 179.8 | 174.7 | -173.5 | 0 | 109.8 | N63 L65 L67 | K61-N63 WeakPolarHBondContact CE-O 3.24Å; K61-L65 WeakPolarHBondContact CE-O 3.09Å; K61-L65 PolarHBondContact NZ-O 3.36Å; K61-L67 HydrophobicContact CD-CD2 4.27Å | ||
| 62 | N | 87 | Confident | 83.9 | Confident | 131 Ų | 131 | 119.3 Ų | 119.3 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | trans | -93.1 | 4 | 176.2 | -65.2 | -10.3 | 0 | 0 | 0 | 113.2 | V60 | V60-N62 VanDerWaalsContact CG1-OD1 3.3Å; V60-N62 WeakPolarHBondContact CG1-OD1 3.37Å; V60-N62 PolarHBondContact O-N 3.31Å | ||
| 63 | N | 84.2 | Confident | 82.6 | Confident | 110 Ų | 110 | 118.5 Ų | 118.5 | 59% | 0.588 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -105.9 | 146.4 | -174.1 | -59.9 | -16.3 | 0 | 0 | 0 | 110.9 | K61 L65 | K61-N63 WeakPolarHBondContact CE-O 3.24Å; N63-L65 PolarHBondContact O-N 2.7Å |
| 64 | H | 85.9 | Confident | 81.3 | Confident | 202 Ų | 202 | 122 Ų | 122 | 94% | 0.935 | 66% | 0.66 | S | S | * | * | trans | -79.4 | 3.7 | 175.5 | -60 | 89.9 | 0 | 0 | 0 | 113.7 | ||||
| 65 | L | 84.2 | Confident | 80.2 | Confident | 94 Ų | 94 | 118.6 Ų | 118.6 | 49% | 0.492 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -73.1 | 161.3 | -176.7 | -157.7 | 61.3 | 0 | 0 | 0 | 111.2 | K61 N63 A69 | K61-L65 WeakPolarHBondContact CE-O 3.09Å; K61-L65 PolarHBondContact NZ-O 3.36Å; N63-L65 PolarHBondContact O-N 2.7Å; L65-A69 HydrophobicContact CB-CB 4.34Å; L65-A69 HydrophobicContact CD1-CB 4.32Å; L65-A69 HydrophobicContact CD2-CB 3.25Å; L65-A69 HydrophobicContact CG-CB 3.33Å |
| 66 | G | 85.1 | Confident | 79.4 | Confident | 49 Ų | 49 | 116.2 Ų | 116.2 | 51% | 0.505 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 162.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A69 | G66-A69 WeakPolarHBondContact O-CB 3.29Š|
| 67 | L | 83.1 | Confident | 78.5 | Confident | 162 Ų | 162 | 119.3 Ų | 119.3 | 85% | 0.848 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 140.7 | 166.1 | -65.2 | 171.1 | 0 | 0 | 0 | 108.9 | K61 A69 | K61-L67 HydrophobicContact CD-CD2 4.27Å; L67-A69 PolarHBondContact O-N 2.72Å |
| 68 | G | 79.4 | Confident | 77.7 | Confident | 80 Ų | 80 | 113.9 Ų | 113.9 | 83% | 0.825 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.5 | -6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | T70 | G68-T70 PolarHBondContact O-N 2.65Å; G68-T70 VanDerWaalsContact O-N 3.14Å |
| 69 | A | 77.3 | Confident | 77 | Confident | 39 Ų | 39 | 109.6 Ų | 109.6 | 32% | 0.322 | 59% | 0.591 | S | S | . | * | trans | -73.2 | 109.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L65 G66 L67 | L65-A69 HydrophobicContact CB-CB 4.34Å; L65-A69 HydrophobicContact CD1-CB 4.32Å; L65-A69 HydrophobicContact CD2-CB 3.25Å; L65-A69 HydrophobicContact CG-CB 3.33Å; G66-A69 WeakPolarHBondContact O-CB 3.29Å; L67-A69 PolarHBondContact O-N 2.72Å | ||
| 70 | T | 72.2 | Confident | 76.9 | Confident | 83 Ų | 83 | 107.4 Ų | 107.4 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | trans | -70.9 | 148.8 | -178.9 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | G68 N72 N73 | G68-T70 PolarHBondContact O-N 2.65Å; G68-T70 VanDerWaalsContact O-N 3.14Å; T70-N72 PolarHBondContact O-N 2.65Å; T70-N73 PolarHBondContact N-ND2 3.37Å; T70-N73 PolarHBondContact O-N 2.75Å; T70-N73 PolarHBondContact O-ND2 2.83Å | ||
| 71 | I | 64.9 | Low | 76.8 | Confident | 154 Ų | 154 | 107.1 Ų | 107.1 | 79% | 0.79 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -58 | -21.1 | 176.5 | -63.7 | 165.5 | 0 | 0 | 0 | 111 | N73 | I71-N73 VanDerWaalsContact C-N 3.35Å; I71-N73 PolarHBondContact O-N 2.91Å |
| 72 | N | 64.1 | Low | 76.6 | Confident | 104 Ų | 104 | 105.9 Ų | 105.9 | 56% | 0.556 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -89.2 | 10.3 | -175.4 | -58.1 | -11.2 | 0 | 0 | 0 | 114.1 | T70 E74 D75 | T70-N72 PolarHBondContact O-N 2.65Å; N72-E74 PolarHBondContact O-N 2.86Å; N72-E74 VanDerWaalsContact O-N 3.12Å; N72-D75 WeakPolarHBondContact O-CB 3.35Å; N72-D75 PolarHBondContact O-N 3.2Å |
| 73 | N | 64 | Low | 76.7 | Confident | 75 Ų | 75 | 104.1 Ų | 104.1 | 40% | 0.401 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -61.1 | -20.8 | 178.6 | -81 | -44.6 | 0 | 0 | 0 | 113.9 | T70 I71 D75 N76 | T70-N73 PolarHBondContact N-ND2 3.37Å; T70-N73 PolarHBondContact O-N 2.75Å; T70-N73 PolarHBondContact O-ND2 2.83Å; I71-N73 VanDerWaalsContact C-N 3.35Å; I71-N73 PolarHBondContact O-N 2.91Å; N73-D75 PolarHBondContact O-N 3.47Å; N73-N76 PolarHBondContact O-N 3.23Å; N73-N76 PolarHBondContact OD1-ND2 2.84Å |
| 74 | E | 64.6 | Low | 77 | Confident | 163 Ų | 163 | 103.9 Ų | 103.9 | 76% | 0.762 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -66.5 | -24.4 | 174.4 | -61.3 | -177.4 | -178.4 | 0 | 0 | 112.8 | N72 | N72-E74 PolarHBondContact O-N 2.86Å; N72-E74 VanDerWaalsContact O-N 3.12Å |
| 75 | D | 65.5 | Low | 77.2 | Confident | 52 Ų | 52 | 97.3 Ų | 97.3 | 28% | 0.278 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -78.1 | -19.9 | 179.8 | -78 | -39.4 | 0 | 0 | 0 | 113.7 | N72 N73 W77 I78 A79 R150 | N72-D75 WeakPolarHBondContact O-CB 3.35Å; N72-D75 PolarHBondContact O-N 3.2Å; N73-D75 PolarHBondContact O-N 3.47Å; D75-W77 PolarHBondContact O-N 3.31Å; D75-I78 PolarHBondContact O-N 3.37Å; D75-I78 VanDerWaalsContact O-N 3.1Å; D75-A79 PolarHBondContact O-N 3.41Å; D75-A79 VanDerWaalsContact O-N 3.11Å; D75-R150 VanDerWaalsContact OD1-CD 3.3Å; D75-R150 WeakPolarHBondContact OD1-CD 3.5Å; D75-R150 IonicContact OD1-CZ 3.71Å; D75-R150 IonicContact OD1-NE 2.57Å; D75-R150 IonicContact OD1-NH1 3.48Å; D75-R150 PolarHBondContact OD1-NH1 3.43Å; D75-R150 IonicContact OD2-CZ 2.7Å; D75-R150 IonicContact OD2-NH1 3.72Å; D75-R150 PolarHBondContact OD2-NH1 3.17Å |
| 76 | N | 72.6 | Confident | 77.6 | Confident | 93 Ų | 93 | 98.9 Ų | 98.9 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.8 | -24.6 | -178.8 | -67.6 | -40.9 | 0 | 0 | 0 | 112.6 | N73 | N73-N76 PolarHBondContact O-N 3.23Å; N73-N76 PolarHBondContact OD1-ND2 2.84Å |
| 77 | W | 73.1 | Confident | 78 | Confident | 224 Ų | 224 | 100.6 Ų | 100.6 | 85% | 0.848 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.7 | -31.5 | 174.6 | 166.3 | -93.8 | 0 | 0 | 0 | 112.7 | D75 | D75-W77 PolarHBondContact O-N 3.31Å |
| 78 | I | 73.3 | Confident | 78.4 | Confident | 42 Ų | 42 | 96.3 Ų | 96.3 | 22% | 0.215 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -89.1 | -26.4 | -176.9 | -57.3 | 172.1 | 0 | 0 | 0 | 111.1 | D75 H80 Q81 D82 | D75-I78 PolarHBondContact O-N 3.37Å; D75-I78 VanDerWaalsContact O-N 3.1Å; I78-H80 VanDerWaalsContact C-N 3.35Å; I78-H80 PolarHBondContact O-N 2.79Å; I78-Q81 WeakPolarHBondContact O-CB 3.24Å; I78-Q81 PolarHBondContact O-N 3.17Å; I78-D82 PolarHBondContact O-N 3.17Å; I78-D82 VanDerWaalsContact O-N 3.09Å |
| 79 | A | 76.1 | Confident | 78.9 | Confident | 37 Ų | 37 | 95 Ų | 95 | 31% | 0.306 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -50.5 | -50.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D75 Q81 D82 D83 | D75-A79 PolarHBondContact O-N 3.41Å; D75-A79 VanDerWaalsContact O-N 3.11Å; A79-Q81 VanDerWaalsContact C-N 3.26Å; A79-Q81 PolarHBondContact O-N 3.25Å; A79-D82 PolarHBondContact O-N 3.07Å; A79-D82 VanDerWaalsContact O-N 3.17Å; A79-D83 VanDerWaalsContact O-CG 3.29Å; A79-D83 PolarHBondContact O-N 3.04Å |
| 80 | H | 83 | Confident | 79.7 | Confident | 144 Ų | 144 | 98.4 Ų | 98.4 | 67% | 0.667 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.2 | -29.3 | 180 | -61.5 | -49 | 0 | 0 | 0 | 113.7 | I78 F84 | I78-H80 VanDerWaalsContact C-N 3.35Å; I78-H80 PolarHBondContact O-N 2.79Å; H80-F84 WeakPolarHBondContact O-CB 2.91Å; H80-F84 PolarHBondContact O-N 2.99Å; H80-F84 VanDerWaalsContact O-N 3.16Å |
| 81 | Q | 85.3 | Confident | 80.7 | Confident | 107 Ų | 107 | 98.1 Ų | 98.1 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.1 | -39.8 | 176.9 | -174.4 | 63.7 | 40.5 | 0 | 0 | 111 | I78 A79 F84 N85 | I78-Q81 WeakPolarHBondContact O-CB 3.24Å; I78-Q81 PolarHBondContact O-N 3.17Å; A79-Q81 VanDerWaalsContact C-N 3.26Å; A79-Q81 PolarHBondContact O-N 3.25Å; Q81-F84 PolarHBondContact O-N 3.48Å; Q81-N85 PolarHBondContact NE2-OD1 3.4Å; Q81-N85 WeakPolarHBondContact O-CB 3.35Å; Q81-N85 PolarHBondContact O-N 3.32Å; Q81-N85 PolarHBondContact O-ND2 2.78Å |
| 82 | D | 84.3 | Confident | 81.9 | Confident | 79 Ų | 79 | 96.5 Ų | 96.5 | 42% | 0.422 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 177.5 | -76.9 | -19.1 | 0 | 0 | 0 | 111.6 | I78 A79 F84 N85 Q86 | I78-D82 PolarHBondContact O-N 3.17Å; I78-D82 VanDerWaalsContact O-N 3.09Å; A79-D82 PolarHBondContact O-N 3.07Å; A79-D82 VanDerWaalsContact O-N 3.17Å; D82-F84 VanDerWaalsContact C-N 3.33Å; D82-F84 PolarHBondContact O-N 3.13Å; D82-N85 WeakPolarHBondContact O-CB 3.38Å; D82-N85 PolarHBondContact O-N 3.46Å; D82-Q86 PolarHBondContact O-N 3.17Å |
| 83 | D | 88.4 | Confident | 83 | Confident | 94 Ų | 94 | 95.9 Ų | 95.9 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 174.4 | -64.3 | -18.9 | 0 | 0 | 0 | 111.4 | A79 Q86 L87 | A79-D83 VanDerWaalsContact O-CG 3.29Å; A79-D83 PolarHBondContact O-N 3.04Å; D83-Q86 WeakPolarHBondContact O-CB 3.47Å; D83-Q86 PolarHBondContact O-N 3.18Å; D83-L87 PolarHBondContact O-N 3.27Å |
| 84 | F | 91.1 | Very high | 83.8 | Confident | 104 Ų | 104 | 96.2 Ų | 96.2 | 46% | 0.456 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 175.9 | -179.3 | -107.7 | 0 | 0 | 0 | 112.3 | H80 Q81 D82 Q86 L87 L88 | H80-F84 WeakPolarHBondContact O-CB 2.91Å; H80-F84 PolarHBondContact O-N 2.99Å; H80-F84 VanDerWaalsContact O-N 3.16Å; Q81-F84 PolarHBondContact O-N 3.48Å; D82-F84 VanDerWaalsContact C-N 3.33Å; D82-F84 PolarHBondContact O-N 3.13Å; F84-Q86 VanDerWaalsContact C-N 3.28Å; F84-Q86 PolarHBondContact O-N 3.13Å; F84-L87 PolarHBondContact O-N 3.4Å; F84-L88 HydrophobicContact CD1-CD1 3.95Å; F84-L88 HydrophobicContact CD1-CG 4.38Å; F84-L88 HydrophobicContact CE1-CD1 3.39Å; F84-L88 HydrophobicContact CE1-CG 3.97Å; F84-L88 HydrophobicContact CE2-CD2 4.47Å; F84-L88 HydrophobicContact CE2-CG 4.36Å; F84-L88 HydrophobicContact CZ-CD1 3.78Å; F84-L88 HydrophobicContact CZ-CD2 4.09Å; F84-L88 HydrophobicContact CZ-CG 3.96Å; F84-L88 WeakPolarHBondContact O-CG 3.35Å; F84-L88 PolarHBondContact O-N 3.43Å |
| 85 | N | 89.4 | Confident | 84.4 | Confident | 64 Ų | 64 | 96.2 Ų | 96.2 | 34% | 0.342 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 174.6 | -68 | -32.3 | 0 | 0 | 0 | 111.6 | Q81 D82 A89 | Q81-N85 PolarHBondContact NE2-OD1 3.4Å; Q81-N85 WeakPolarHBondContact O-CB 3.35Å; Q81-N85 PolarHBondContact O-N 3.32Å; Q81-N85 PolarHBondContact O-ND2 2.78Å; D82-N85 WeakPolarHBondContact O-CB 3.38Å; D82-N85 PolarHBondContact O-N 3.46Å; N85-A89 WeakPolarHBondContact O-CB 3.24Å; N85-A89 PolarHBondContact O-N 2.76Å |
| 86 | Q | 91.7 | Very high | 84.3 | Confident | 127 Ų | 127 | 95.3 Ų | 95.3 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -46.2 | 174.8 | -179.5 | 175 | -1.9 | 0 | 0 | 111.3 | D82 D83 F84 L88 A89 E90 | D82-Q86 PolarHBondContact O-N 3.17Å; D83-Q86 WeakPolarHBondContact O-CB 3.47Å; D83-Q86 PolarHBondContact O-N 3.18Å; F84-Q86 VanDerWaalsContact C-N 3.28Å; F84-Q86 PolarHBondContact O-N 3.13Å; Q86-L88 VanDerWaalsContact C-N 3.34Å; Q86-L88 PolarHBondContact O-N 3.39Å; Q86-A89 WeakPolarHBondContact O-CB 3.26Å; Q86-A89 PolarHBondContact O-N 3.12Å; Q86-A89 VanDerWaalsContact O-N 3.15Å; Q86-E90 PolarHBondContact O-N 3.19Å |
| 87 | L | 94.2 | Very high | 83.7 | Confident | 86 Ų | 86 | 99.2 Ų | 99.2 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 175.2 | 177.9 | 66.5 | 0 | 0 | 0 | 111.7 | D83 F84 A89 E90 L91 | D83-L87 PolarHBondContact O-N 3.27Å; F84-L87 PolarHBondContact O-N 3.4Å; L87-A89 VanDerWaalsContact C-N 3.32Å; L87-A89 PolarHBondContact O-N 2.89Å; L87-E90 PolarHBondContact O-N 2.56Å; L87-L91 HydrophobicContact CD1-CD1 4.48Å; L87-L91 HydrophobicContact CD1-CG 4.44Å; L87-L91 HydrophobicContact CG-CD1 4.24Å; L87-L91 WeakPolarHBondContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.27Å; L87-L91 PolarHBondContact O-N 3.31Å |
| 88 | L | 91.7 | Very high | 82.8 | Confident | 71 Ų | 71 | 97.6 Ų | 97.6 | 37% | 0.372 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 176.3 | -72.8 | -179.1 | 0 | 0 | 0 | 112.2 | F84 Q86 N92 | F84-L88 HydrophobicContact CD1-CD1 3.95Å; F84-L88 HydrophobicContact CD1-CG 4.38Å; F84-L88 HydrophobicContact CE1-CD1 3.39Å; F84-L88 HydrophobicContact CE1-CG 3.97Å; F84-L88 HydrophobicContact CE2-CD2 4.47Å; F84-L88 HydrophobicContact CE2-CG 4.36Å; F84-L88 HydrophobicContact CZ-CD1 3.78Å; F84-L88 HydrophobicContact CZ-CD2 4.09Å; F84-L88 HydrophobicContact CZ-CG 3.96Å; F84-L88 WeakPolarHBondContact O-CG 3.35Å; F84-L88 PolarHBondContact O-N 3.43Å; Q86-L88 VanDerWaalsContact C-N 3.34Å; Q86-L88 PolarHBondContact O-N 3.39Å; L88-N92 WeakPolarHBondContact O-CB 3.3Å; L88-N92 PolarHBondContact O-N 2.96Å; L88-N92 PolarHBondContact O-ND2 3.14Å |
| 89 | A | 90.8 | Very high | 81.7 | Confident | 54 Ų | 54 | 102.1 Ų | 102.1 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N85 Q86 L87 N92 T93 | N85-A89 WeakPolarHBondContact O-CB 3.24Å; N85-A89 PolarHBondContact O-N 2.76Å; Q86-A89 WeakPolarHBondContact O-CB 3.26Å; Q86-A89 PolarHBondContact O-N 3.12Å; Q86-A89 VanDerWaalsContact O-N 3.15Å; L87-A89 VanDerWaalsContact C-N 3.32Å; L87-A89 PolarHBondContact O-N 2.89Å; A89-N92 PolarHBondContact O-N 3.25Å; A89-T93 WeakPolarHBondContact O-CG2 3.12Å; A89-T93 PolarHBondContact O-N 2.74Å |
| 90 | E | 93.6 | Very high | 80.5 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 51% | 0.514 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.5 | -45.6 | 177.2 | -172.2 | 174 | 179.8 | 0 | 0 | 111.9 | Q86 L87 N92 T93 C94 | Q86-E90 PolarHBondContact O-N 3.19Å; L87-E90 PolarHBondContact O-N 2.56Å; E90-N92 VanDerWaalsContact C-N 3.33Å; E90-N92 PolarHBondContact O-N 3.41Å; E90-T93 WeakPolarHBondContact CA-OG1 3.33Å; E90-T93 PolarHBondContact O-N 3.27Å; E90-T93 PolarHBondContact O-OG1 3.12Å; E90-C94 PolarHBondContact O-N 3.22Å; E90-C94 PolarHBondContact O-SG 2.77Å |
| 91 | L | 92.6 | Very high | 78.7 | Confident | 77 Ų | 77 | 105.3 Ų | 105.3 | 40% | 0.403 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61 | -41.5 | 174.8 | -73.1 | 174.8 | 0 | 0 | 0 | 112.2 | L87 T93 C94 H95 | L87-L91 HydrophobicContact CD1-CD1 4.48Å; L87-L91 HydrophobicContact CD1-CG 4.44Å; L87-L91 HydrophobicContact CG-CD1 4.24Å; L87-L91 WeakPolarHBondContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.27Å; L87-L91 PolarHBondContact O-N 3.31Å; L91-T93 VanDerWaalsContact C-N 3.25Å; L91-T93 PolarHBondContact O-N 2.84Å; L91-C94 PolarHBondContact O-N 3.04Å; L91-H95 WeakPolarHBondContact O-CB 3.2Å; L91-H95 PolarHBondContact O-CD2 3.42Å; L91-H95 PolarHBondContact O-N 2.84Å |
| 92 | N | 90.2 | Very high | 76.9 | Confident | 119 Ų | 119 | 104 Ų | 104 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.3 | -30.9 | 174.8 | -73.1 | -36.9 | 0 | 0 | 0 | 112.1 | L88 A89 E90 G96 | L88-N92 WeakPolarHBondContact O-CB 3.3Å; L88-N92 PolarHBondContact O-N 2.96Å; L88-N92 PolarHBondContact O-ND2 3.14Å; A89-N92 PolarHBondContact O-N 3.25Å; E90-N92 VanDerWaalsContact C-N 3.33Å; E90-N92 PolarHBondContact O-N 3.41Å; N92-G96 VanDerWaalsContact O-CA 3.23Å; N92-G96 WeakPolarHBondContact O-CA 3.39Å; N92-G96 PolarHBondContact O-N 2.81Å |
| 93 | T | 87.7 | Confident | 75.2 | Confident | 92 Ų | 92 | 108 Ų | 108 | 56% | 0.564 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.1 | -36.9 | 173.6 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | A89 E90 L91 | A89-T93 WeakPolarHBondContact O-CG2 3.12Å; A89-T93 PolarHBondContact O-N 2.74Å; E90-T93 WeakPolarHBondContact CA-OG1 3.33Å; E90-T93 PolarHBondContact O-N 3.27Å; E90-T93 PolarHBondContact O-OG1 3.12Å; L91-T93 VanDerWaalsContact C-N 3.25Å; L91-T93 PolarHBondContact O-N 2.84Å |
| 94 | C | 81.1 | Confident | 72.9 | Confident | 81 Ų | 81 | 108.8 Ų | 108.8 | 55% | 0.547 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -74 | -35.3 | 179.8 | -65.7 | 0 | 0 | 0 | 0 | 112.9 | E90 L91 | E90-C94 PolarHBondContact O-N 3.22Å; E90-C94 PolarHBondContact O-SG 2.77Å; L91-C94 PolarHBondContact O-N 3.04Å |
| 95 | H | 76.9 | Confident | 70.9 | Confident | 163 Ų | 163 | 113.5 Ų | 113.5 | 76% | 0.755 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -100.5 | -7.8 | -179.4 | -68 | -75.9 | 0 | 0 | 0 | 114.1 | L91 | L91-H95 WeakPolarHBondContact O-CB 3.2Å; L91-H95 PolarHBondContact O-CD2 3.42Å; L91-H95 PolarHBondContact O-N 2.84Å |
| 96 | G | 63.1 | Low | 69 | Low | 34 Ų | 34 | 118.1 Ų | 118.1 | 35% | 0.351 | 63% | 0.633 | S | S | . | * | trans | -90 | 3.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | N92 E98 | N92-G96 VanDerWaalsContact O-CA 3.23Å; N92-G96 WeakPolarHBondContact O-CA 3.39Å; N92-G96 PolarHBondContact O-N 2.81Å; G96-E98 VanDerWaalsContact C-N 3.29Å; G96-E98 PolarHBondContact O-N 3.2Å | ||
| 97 | Q | 60 | Low | 67.2 | Low | 175 Ų | 175 | 119.6 Ų | 119.6 | 82% | 0.818 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 69.4 | 177 | -78.9 | -176 | -17.7 | 0 | 0 | 112 | ||
| 98 | E | 54.3 | Low | 65.5 | Low | 189 Ų | 189 | 124.9 Ų | 124.9 | 88% | 0.883 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.4 | -2.7 | 150.7 | -129.4 | 177.3 | -177 | 0 | 0 | 114.3 | G96 | G96-E98 VanDerWaalsContact C-N 3.29Å; G96-E98 PolarHBondContact O-N 3.2Å |
| 99 | T | 51.3 | Low | 64.1 | Low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -142.6 | 39.5 | -180 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 100 | A | 50.5 | Low | 62.7 | Low | 68 Ų | 68 | 131.5 Ų | 131.5 | 56% | 0.562 | 69% | 0.685 | S | S | * | * | trans | -130.9 | 11.9 | -178 | 0 | 0 | 0 | 0 | 0 | 116.3 | S102 | A100-S102 PolarHBondContact O-N 3.01Š| ||
| 101 | D | 44.2 | Very low | 61.7 | Low | 179 Ų | 179 | 133.9 Ų | 133.9 | 96% | 0.957 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 59.3 | 159.8 | -72.2 | -32.7 | 0 | 0 | 0 | 110.2 | ||
| 102 | S | 48.5 | Very low | 61.2 | Low | 80 Ų | 80 | 131.2 Ų | 131.2 | 56% | 0.559 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.8 | 45.4 | 171.3 | 167.4 | 0 | 0 | 0 | 0 | 110.2 | A100 | A100-S102 PolarHBondContact O-N 3.01Š|
| 103 | L | 48.3 | Very low | 60.9 | Low | 162 Ų | 162 | 128.2 Ų | 128.2 | 85% | 0.848 | 67% | 0.666 | S | S | * | * | trans | -100.8 | 55.6 | 158.1 | -128.1 | 152.2 | 0 | 0 | 0 | 109.2 | ||||
| 104 | D | 40.9 | Very low | 60.8 | Low | 112 Ų | 112 | 125.2 Ų | 125.2 | 60% | 0.599 | 65% | 0.645 | S | S | * | * | trans | -38.5 | 146.8 | 150.3 | -94.9 | -48.9 | 0 | 0 | 0 | 109.9 | K106 | D104-K106 HydrophobicContact CB-CG 4.38Å; D104-K106 PolarHBondContact O-N 3.43Å | ||
| 105 | K | 47.9 | Very low | 61.1 | Low | 203 Ų | 203 | 127.1 Ų | 127.1 | 88% | 0.883 | 65% | 0.646 | S | S | * | * | trans | -57.6 | 56.6 | 159.4 | -62.6 | 170.5 | 178 | 175.9 | 0 | 110.9 | E107 | K105-E107 PolarHBondContact O-N 2.69Š| ||
| 106 | K | 49.5 | Very low | 61.5 | Low | 161 Ų | 161 | 122 Ų | 122 | 70% | 0.7 | 62% | 0.622 | S | S | * | * | trans | -69.2 | 90.3 | 158.1 | -76.7 | -175.5 | -178.8 | 168.7 | 0 | 104.3 | D104 K108 | D104-K106 HydrophobicContact CB-CG 4.38Å; D104-K106 PolarHBondContact O-N 3.43Å; K106-K108 VanDerWaalsContact C-N 3.34Å; K106-K108 PolarHBondContact O-N 2.88Å | ||
| 107 | E | 53.4 | Low | 62.6 | Low | 157 Ų | 157 | 120.7 Ų | 120.7 | 73% | 0.734 | 61% | 0.607 | S | S | * | * | trans | -27.9 | 106.4 | 155.1 | -63.6 | 178.3 | 163.1 | 0 | 0 | 106.6 | K105 K109 | K105-E107 PolarHBondContact O-N 2.69Å; E107-K109 PolarHBondContact O-N 2.87Å | ||
| 108 | K | 60 | Low | 63.8 | Low | 197 Ų | 197 | 118 Ų | 118 | 86% | 0.857 | 59% | 0.593 | S | S | * | * | trans | -64.6 | 86.7 | 171.3 | -67.6 | -177.7 | -178.3 | 179.1 | 0 | 103.3 | K106 S110 | K106-K108 VanDerWaalsContact C-N 3.34Å; K106-K108 PolarHBondContact O-N 2.88Å; K108-S110 PolarHBondContact O-N 3.02Å | ||
| 109 | K | 61.4 | Low | 65.3 | Low | 178 Ų | 178 | 114.9 Ų | 114.9 | 77% | 0.774 | 58% | 0.581 | S | S | * | * | trans | -54.2 | 98.2 | 170.1 | -78.7 | 175.4 | 177.7 | 173.4 | 0 | 103.4 | E107 F111 | E107-K109 PolarHBondContact O-N 2.87Å; K109-F111 VanDerWaalsContact C-N 3.29Å; K109-F111 PolarHBondContact O-N 2.9Å | ||
| 110 | S | 61.9 | Low | 66.9 | Low | 86 Ų | 86 | 110.5 Ų | 110.5 | 60% | 0.601 | 56% | 0.556 | S | S | * | * | trans | -61.4 | 103.1 | -177.4 | 43.4 | 0 | 0 | 0 | 0 | 104.2 | K108 S112 | K108-S110 PolarHBondContact O-N 3.02Å; S110-S112 PolarHBondContact O-N 3.3Å | ||
| 111 | F | 71 | Confident | 68.3 | Low | 160 Ų | 160 | 117.5 Ų | 117.5 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | trans | -75.1 | 82.5 | -169 | -170.8 | -132 | 0 | 0 | 0 | 106.1 | K109 L113 K116 | K109-F111 VanDerWaalsContact C-N 3.29Å; K109-F111 PolarHBondContact O-N 2.9Å; F111-L113 PolarHBondContact O-N 3.23Å; F111-L113 VanDerWaalsContact O-N 3.12Å; F111-K116 VanDerWaalsContact C-CE 3.47Å; F111-K116 HydrophobicContact CD1-CD 4Å; F111-K116 HydrophobicContact CD2-CD 3.96Å; F111-K116 HydrophobicContact CD2-CG 4.28Å; F111-K116 HydrophobicContact CE1-CD 3.42Å; F111-K116 VanDerWaalsContact CE1-CD 3.42Å; F111-K116 HydrophobicContact CE2-CD 3.41Å; F111-K116 VanDerWaalsContact CE2-CD 3.41Å; F111-K116 HydrophobicContact CE2-CG 3.65Å; F111-K116 HydrophobicContact CG-CD 4.18Å; F111-K116 HydrophobicContact CZ-CD 3.09Å; F111-K116 HydrophobicContact CZ-CG 3.79Å; F111-K116 VanDerWaalsContact O-CE 3.3Å; F111-K116 WeakPolarHBondContact O-CE 3.44Å; F111-K116 PolarHBondContact O-NZ 3.37Å | ||
| 112 | S | 83.1 | Confident | 70.1 | Confident | 21 Ų | 21 | 116.9 Ų | 116.9 | 15% | 0.147 | 57% | 0.57 | C | S | . | * | trans | -65.1 | 114.5 | -175.7 | 173.3 | 0 | 0 | 0 | 0 | 109.5 | S110 E114 E115 K116 D134 | S110-S112 PolarHBondContact O-N 3.3Å; S112-E114 PolarHBondContact O-N 3.14Å; S112-E114 PolarHBondContact OG-N 3.18Å; S112-E115 PolarHBondContact O-N 3.12Å; S112-E115 VanDerWaalsContact O-N 3.13Å; S112-E115 PolarHBondContact OG-N 3.39Å; S112-K116 WeakPolarHBondContact O-CE 3.48Å; S112-K116 PolarHBondContact O-N 3.18Å; S112-D134 WeakPolarHBondContact CA-OD2 3.19Å; S112-D134 PolarHBondContact OG-OD2 2.97Å | ||
| 113 | L | 84.5 | Confident | 71.7 | Confident | 57 Ų | 57 | 119.7 Ų | 119.7 | 30% | 0.298 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.4 | -33.3 | 177.8 | -173 | 110.6 | 0 | 0 | 0 | 110.7 | F111 S117 T130 K133 D134 | F111-L113 PolarHBondContact O-N 3.23Å; F111-L113 VanDerWaalsContact O-N 3.12Å; L113-S117 WeakPolarHBondContact O-CB 2.99Å; L113-S117 PolarHBondContact O-N 2.92Å; L113-S117 VanDerWaalsContact O-N 3.17Å; L113-S117 PolarHBondContact O-OG 3.21Å; L113-T130 HydrophobicContact CD2-CG2 4.2Å; L113-K133 HydrophobicContact CD2-CB 4.22Å; L113-D134 HydrophobicContact CB-CB 4.26Å; L113-D134 PolarHBondContact N-OD2 3.03Å |
| 114 | E | 85.2 | Confident | 73.4 | Confident | 28 Ų | 28 | 118.2 Ų | 118.2 | 13% | 0.131 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -61.4 | -46.6 | 173.7 | -171.5 | 178.1 | 169.9 | 0 | 0 | 111.7 | S112 S117 K118 M127 K131 D134 | S112-E114 PolarHBondContact O-N 3.14Å; S112-E114 PolarHBondContact OG-N 3.18Å; E114-S117 PolarHBondContact O-N 3.35Å; E114-S117 PolarHBondContact O-OG 3.31Å; E114-K118 HydrophobicContact CG-CD 4.4Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 3.49Å; E114-K118 VanDerWaalsContact O-N 3.17Å; E114-K118 VanDerWaalsContact OE1-CE 3.29Å; E114-K118 WeakPolarHBondContact OE1-CE 3.32Å; E114-K118 IonicContact OE1-NZ 2.66Å; E114-K118 PolarHBondContact OE1-NZ 3.09Å; E114-M127 HydrophobicContact CG-CE 4.41Å; E114-M127 WeakPolarHBondContact OE1-CE 3.37Å; E114-K131 WeakPolarHBondContact OE1-CE 3.48Å; E114-K131 IonicContact OE1-NZ 3.01Å; E114-K131 VanDerWaalsContact OE2-CE 3.24Å; E114-K131 WeakPolarHBondContact OE2-CE 3.37Å; E114-K131 VanDerWaalsContact OE2-CG 3.26Å; E114-K131 WeakPolarHBondContact OE2-CG 3.48Å; E114-D134 PolarHBondContact N-OD2 3.06Å |
| 115 | E | 87.1 | Confident | 75.6 | Confident | 122 Ų | 122 | 115.2 Ų | 115.2 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.3 | -46.9 | -178 | -169.6 | 166.4 | -158.7 | 0 | 0 | 112.4 | S112 S117 K118 I119 | S112-E115 PolarHBondContact O-N 3.12Å; S112-E115 VanDerWaalsContact O-N 3.13Å; S112-E115 PolarHBondContact OG-N 3.39Å; E115-S117 VanDerWaalsContact C-N 3.3Å; E115-S117 PolarHBondContact O-N 3.49Å; E115-K118 PolarHBondContact O-N 3.48Å; E115-I119 HydrophobicContact CG-CD1 3.82Å; E115-I119 WeakPolarHBondContact O-CD1 3.3Å; E115-I119 VanDerWaalsContact O-CG1 3.24Å; E115-I119 WeakPolarHBondContact O-CG1 3.3Å; E115-I119 PolarHBondContact O-N 3.42Å; E115-I119 VanDerWaalsContact O-N 3.1Å |
| 116 | K | 85.8 | Confident | 77.6 | Confident | 56 Ų | 56 | 112.3 Ų | 112.3 | 24% | 0.243 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 176.6 | -63.6 | 158.7 | -135.7 | 171.4 | 0 | 113.2 | F111 S112 K118 I119 S120 | F111-K116 VanDerWaalsContact C-CE 3.47Å; F111-K116 HydrophobicContact CD1-CD 4Å; F111-K116 HydrophobicContact CD2-CD 3.96Å; F111-K116 HydrophobicContact CD2-CG 4.28Å; F111-K116 HydrophobicContact CE1-CD 3.42Å; F111-K116 VanDerWaalsContact CE1-CD 3.42Å; F111-K116 HydrophobicContact CE2-CD 3.41Å; F111-K116 VanDerWaalsContact CE2-CD 3.41Å; F111-K116 HydrophobicContact CE2-CG 3.65Å; F111-K116 HydrophobicContact CG-CD 4.18Å; F111-K116 HydrophobicContact CZ-CD 3.09Å; F111-K116 HydrophobicContact CZ-CG 3.79Å; F111-K116 VanDerWaalsContact O-CE 3.3Å; F111-K116 WeakPolarHBondContact O-CE 3.44Å; F111-K116 PolarHBondContact O-NZ 3.37Å; S112-K116 WeakPolarHBondContact O-CE 3.48Å; S112-K116 PolarHBondContact O-N 3.18Å; K116-K118 VanDerWaalsContact C-N 3.27Å; K116-K118 PolarHBondContact O-N 2.88Å; K116-I119 PolarHBondContact O-N 3.41Å; K116-S120 WeakPolarHBondContact O-CB 3.46Å; K116-S120 PolarHBondContact O-N 2.87Å; K116-S120 PolarHBondContact O-OG 3.38Å |
| 117 | S | 85.4 | Confident | 79.4 | Confident | 6 Ų | 6 | 108.3 Ų | 108.3 | 4% | 0.042 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -74 | -23.5 | -174.9 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | L113 E114 E115 S120 H125 T130 | L113-S117 WeakPolarHBondContact O-CB 2.99Å; L113-S117 PolarHBondContact O-N 2.92Å; L113-S117 VanDerWaalsContact O-N 3.17Å; L113-S117 PolarHBondContact O-OG 3.21Å; E114-S117 PolarHBondContact O-N 3.35Å; E114-S117 PolarHBondContact O-OG 3.31Å; E115-S117 VanDerWaalsContact C-N 3.3Å; E115-S117 PolarHBondContact O-N 3.49Å; S117-S120 PolarHBondContact O-OG 3.3Å; S117-H125 WeakPolarHBondContact CB-ND1 3.49Å; S117-H125 PolarHBondContact OG-CE1 3.11Å; S117-H125 PolarHBondContact OG-ND1 3.36Å; S117-T130 WeakPolarHBondContact OG-CG2 3.43Å |
| 118 | K | 86.4 | Confident | 81.2 | Confident | 118 Ų | 118 | 108.6 Ų | 108.6 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.6 | -36.9 | 167.7 | -70.3 | 172.2 | -177.9 | 170 | 0 | 112.3 | E114 E115 K116 | E114-K118 HydrophobicContact CG-CD 4.4Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 3.49Å; E114-K118 VanDerWaalsContact O-N 3.17Å; E114-K118 VanDerWaalsContact OE1-CE 3.29Å; E114-K118 WeakPolarHBondContact OE1-CE 3.32Å; E114-K118 IonicContact OE1-NZ 2.66Å; E114-K118 PolarHBondContact OE1-NZ 3.09Å; E115-K118 PolarHBondContact O-N 3.48Å; K116-K118 VanDerWaalsContact C-N 3.27Å; K116-K118 PolarHBondContact O-N 2.88Å |
| 119 | I | 85.4 | Confident | 82.5 | Confident | 123 Ų | 123 | 104.3 Ų | 104.3 | 63% | 0.631 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -76.8 | -31.6 | -179 | -62.1 | 160.2 | 0 | 0 | 0 | 111.1 | E115 K116 K121 | E115-I119 HydrophobicContact CG-CD1 3.82Å; E115-I119 WeakPolarHBondContact O-CD1 3.3Å; E115-I119 VanDerWaalsContact O-CG1 3.24Å; E115-I119 WeakPolarHBondContact O-CG1 3.3Å; E115-I119 PolarHBondContact O-N 3.42Å; E115-I119 VanDerWaalsContact O-N 3.1Å; K116-I119 PolarHBondContact O-N 3.41Å; I119-K121 PolarHBondContact O-N 2.95Å |
| 120 | S | 83.6 | Confident | 83.8 | Confident | 46 Ų | 46 | 95.9 Ų | 95.9 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | trans | -72.9 | 121.1 | -178.1 | 69.9 | 0 | 0 | 0 | 0 | 111.8 | K116 S117 | K116-S120 WeakPolarHBondContact O-CB 3.46Å; K116-S120 PolarHBondContact O-N 2.87Å; K116-S120 PolarHBondContact O-OG 3.38Å; S117-S120 PolarHBondContact O-OG 3.3Å | ||
| 121 | K | 80.9 | Confident | 85 | Confident | 216 Ų | 216 | 95.9 Ų | 95.9 | 94% | 0.939 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -83.5 | -12.4 | 174.2 | -62.7 | 177.1 | -178.5 | 173.4 | 0 | 113.7 | I119 | I119-K121 PolarHBondContact O-N 2.95Š|
| 122 | N | 82 | Confident | 85.8 | Confident | 166 Ų | 166 | 91.1 Ų | 91.1 | 89% | 0.888 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -83.4 | -13.5 | -176.2 | -164.3 | 23.8 | 0 | 0 | 0 | 113.6 | ||
| 123 | R | 81 | Confident | 86.1 | Confident | 139 Ų | 139 | 96.3 Ų | 96.3 | 53% | 0.525 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -131.7 | 138.4 | -176.6 | -161.8 | 175.5 | 99.4 | -173.6 | 4.2 | 111.2 | H125 | R123-H125 PolarHBondContact O-N 2.57Š|
| 124 | V | 85.3 | Confident | 86.3 | Confident | 130 Ų | 130 | 94.1 Ų | 94.1 | 79% | 0.788 | 46% | 0.455 | S | S | * | . | trans | -62.6 | 124.3 | 170.3 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | Y126 | V124-Y126 PolarHBondContact O-N 3.26Š| ||
| 125 | H | 87.1 | Confident | 86.3 | Confident | 49 Ų | 49 | 97.1 Ų | 97.1 | 23% | 0.227 | 47% | 0.471 | C | S | . | . | trans | -81.4 | 97.4 | 177.9 | -179.6 | 67.1 | 0 | 0 | 0 | 110.7 | S117 R123 M127 T130 | S117-H125 WeakPolarHBondContact CB-ND1 3.49Å; S117-H125 PolarHBondContact OG-CE1 3.11Å; S117-H125 PolarHBondContact OG-ND1 3.36Å; R123-H125 PolarHBondContact O-N 2.57Å; H125-M127 WeakPolarHBondContact NE2-CE 3.41Å; H125-M127 PolarHBondContact O-N 2.75Å; H125-T130 PolarHBondContact CE1-OG1 3.12Å; H125-T130 VanDerWaalsContact CE1-OG1 3.32Å | ||
| 126 | Y | 89.6 | Confident | 86.3 | Confident | 142 Ų | 142 | 93.9 Ų | 93.9 | 56% | 0.557 | 46% | 0.462 | S | S | * | . | trans | -90.5 | 94.4 | 174.5 | -169 | -124.4 | 0 | 0 | 0 | 111.5 | V124 K128 F129 T130 | V124-Y126 PolarHBondContact O-N 3.26Å; Y126-K128 VanDerWaalsContact C-N 3.33Å; Y126-K128 HydrophobicContact CE1-CB 4.2Å; Y126-K128 PolarHBondContact O-N 3.24Å; Y126-F129 HydrophobicContact CD1-CB 3.38Å; Y126-F129 HydrophobicContact CD1-CG 4.44Å; Y126-F129 HydrophobicContact CE1-CB 3.97Å; Y126-F129 HydrophobicContact CG-CB 4.38Å; Y126-F129 PolarHBondContact O-N 3.39Å; Y126-F129 VanDerWaalsContact O-N 3.14Å; Y126-T130 PolarHBondContact O-N 3.27Å; Y126-T130 PolarHBondContact O-OG1 3.05Å | ||
| 127 | M | 87.7 | Confident | 86.2 | Confident | 78 Ų | 78 | 95 Ų | 95 | 38% | 0.384 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -47.6 | -46.8 | -172.2 | -72.5 | -125 | 84 | 0 | 0 | 114.7 | E114 H125 F129 T130 K131 | E114-M127 HydrophobicContact CG-CE 4.41Å; E114-M127 WeakPolarHBondContact OE1-CE 3.37Å; H125-M127 WeakPolarHBondContact NE2-CE 3.41Å; H125-M127 PolarHBondContact O-N 2.75Å; M127-F129 PolarHBondContact O-N 3.04Å; M127-T130 WeakPolarHBondContact CA-OG1 3.46Å; M127-T130 PolarHBondContact O-OG1 3Å; M127-T130 VanDerWaalsContact O-OG1 3.07Å; M127-K131 VanDerWaalsContact O-CB 3.27Å; M127-K131 WeakPolarHBondContact O-CB 3.49Å; M127-K131 VanDerWaalsContact O-CG 3.26Å; M127-K131 WeakPolarHBondContact O-CG 3.23Å; M127-K131 PolarHBondContact O-N 3.1Å |
| 128 | K | 90.3 | Very high | 86.4 | Confident | 162 Ų | 162 | 100.4 Ų | 100.4 | 70% | 0.704 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.3 | -40.3 | -175 | -68.9 | -179.9 | 68.4 | 176.4 | 0 | 111.8 | Y126 G132 | Y126-K128 VanDerWaalsContact C-N 3.33Å; Y126-K128 HydrophobicContact CE1-CB 4.2Å; Y126-K128 PolarHBondContact O-N 3.24Å; K128-G132 PolarHBondContact O-N 3.24Å |
| 129 | F | 87.8 | Confident | 86.6 | Confident | 107 Ų | 107 | 97.7 Ų | 97.7 | 47% | 0.469 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -80 | -37.2 | -177.3 | -175.6 | -104.8 | 0 | 0 | 0 | 112.3 | Y126 M127 G132 K133 | Y126-F129 HydrophobicContact CD1-CB 3.38Å; Y126-F129 HydrophobicContact CD1-CG 4.44Å; Y126-F129 HydrophobicContact CE1-CB 3.97Å; Y126-F129 HydrophobicContact CG-CB 4.38Å; Y126-F129 PolarHBondContact O-N 3.39Å; Y126-F129 VanDerWaalsContact O-N 3.14Å; M127-F129 PolarHBondContact O-N 3.04Å; F129-G132 PolarHBondContact O-N 3.11Å; F129-K133 HydrophobicContact CD1-CD 4.18Å; F129-K133 HydrophobicContact CE1-CD 3.79Å; F129-K133 VanDerWaalsContact CE1-CE 3.49Å; F129-K133 VanDerWaalsContact CE1-NZ 3.33Å; F129-K133 HydrophobicContact CE2-CD 4.42Å; F129-K133 HydrophobicContact CZ-CD 3.98Å; F129-K133 PolarHBondContact O-N 3.02Å |
| 130 | T | 88.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 98.6 Ų | 98.6 | 1% | 0.006 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 175.3 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | L113 S117 H125 Y126 M127 G132 K133 D134 | L113-T130 HydrophobicContact CD2-CG2 4.2Å; S117-T130 WeakPolarHBondContact OG-CG2 3.43Å; H125-T130 PolarHBondContact CE1-OG1 3.12Å; H125-T130 VanDerWaalsContact CE1-OG1 3.32Å; Y126-T130 PolarHBondContact O-N 3.27Å; Y126-T130 PolarHBondContact O-OG1 3.05Å; M127-T130 WeakPolarHBondContact CA-OG1 3.46Å; M127-T130 PolarHBondContact O-OG1 3Å; M127-T130 VanDerWaalsContact O-OG1 3.07Å; T130-G132 PolarHBondContact O-N 3.4Å; T130-K133 PolarHBondContact O-N 3.44Å; T130-D134 WeakPolarHBondContact O-CB 3.44Å; T130-D134 PolarHBondContact O-N 3.25Å; T130-D134 VanDerWaalsContact O-N 3.12Å |
| 131 | K | 87.2 | Confident | 87.1 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -31.1 | 175.3 | -74.4 | 179.3 | 174.2 | -177.1 | 0 | 114.1 | E114 M127 K133 | E114-K131 WeakPolarHBondContact OE1-CE 3.48Å; E114-K131 IonicContact OE1-NZ 3.01Å; E114-K131 VanDerWaalsContact OE2-CE 3.24Å; E114-K131 WeakPolarHBondContact OE2-CE 3.37Å; E114-K131 VanDerWaalsContact OE2-CG 3.26Å; E114-K131 WeakPolarHBondContact OE2-CG 3.48Å; M127-K131 VanDerWaalsContact O-CB 3.27Å; M127-K131 WeakPolarHBondContact O-CB 3.49Å; M127-K131 VanDerWaalsContact O-CG 3.26Å; M127-K131 WeakPolarHBondContact O-CG 3.23Å; M127-K131 PolarHBondContact O-N 3.1Å; K131-K133 VanDerWaalsContact C-N 3.35Å |
| 132 | G | 88.2 | Confident | 87.4 | Confident | 59 Ų | 59 | 93.8 Ų | 93.8 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.6 | -28.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K128 F129 T130 | K128-G132 PolarHBondContact O-N 3.24Å; F129-G132 PolarHBondContact O-N 3.11Å; T130-G132 PolarHBondContact O-N 3.4Å |
| 133 | K | 88.4 | Confident | 87.8 | Confident | 130 Ų | 130 | 87.7 Ų | 87.7 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -92.1 | -19.5 | 178.6 | -72.1 | -174.3 | 168.7 | -170.5 | 0 | 113.8 | L113 F129 T130 K131 | L113-K133 HydrophobicContact CD2-CB 4.22Å; F129-K133 HydrophobicContact CD1-CD 4.18Å; F129-K133 HydrophobicContact CE1-CD 3.79Å; F129-K133 VanDerWaalsContact CE1-CE 3.49Å; F129-K133 VanDerWaalsContact CE1-NZ 3.33Å; F129-K133 HydrophobicContact CE2-CD 4.42Å; F129-K133 HydrophobicContact CZ-CD 3.98Å; F129-K133 PolarHBondContact O-N 3.02Å; T130-K133 PolarHBondContact O-N 3.44Å; K131-K133 VanDerWaalsContact C-N 3.35Å |
| 134 | D | 88.7 | Confident | 88 | Confident | 12 Ų | 12 | 81.7 Ų | 81.7 | 6% | 0.064 | 42% | 0.422 | C | S | . | . | trans | -86.2 | 114 | -178.1 | -159.5 | -11.3 | 0 | 0 | 0 | 110.7 | S112 L113 E114 T130 S136 | S112-D134 WeakPolarHBondContact CA-OD2 3.19Å; S112-D134 PolarHBondContact OG-OD2 2.97Å; L113-D134 HydrophobicContact CB-CB 4.26Å; L113-D134 PolarHBondContact N-OD2 3.03Å; E114-D134 PolarHBondContact N-OD2 3.06Å; T130-D134 WeakPolarHBondContact O-CB 3.44Å; T130-D134 PolarHBondContact O-N 3.25Å; T130-D134 VanDerWaalsContact O-N 3.12Å; D134-S136 WeakPolarHBondContact OD1-CB 3.36Å; D134-S136 PolarHBondContact OD1-N 3.02Å; D134-S136 PolarHBondContact OD1-OG 2.94Å; D134-S136 PolarHBondContact OD2-OG 3.29Å | ||
| 135 | L | 86.4 | Confident | 88 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | trans | -90.8 | -7.7 | 174.5 | -61.6 | 179.8 | 0 | 0 | 0 | 112.3 | S137 R138 L143 | L135-S137 PolarHBondContact O-N 2.97Å; L135-R138 HydrophobicContact CD2-CG 4.39Å; L135-R138 PolarHBondContact O-N 3.39Å; L135-R138 VanDerWaalsContact O-N 3.14Å; L135-L143 HydrophobicContact CB-CD2 4.22Å; L135-L143 HydrophobicContact CD1-CD2 4.38Å; L135-L143 HydrophobicContact CD2-CD2 4.13Å; L135-L143 HydrophobicContact CG-CD2 4.48Å | ||
| 136 | S | 86.6 | Confident | 88.1 | Confident | 53 Ų | 53 | 83.9 Ų | 83.9 | 37% | 0.371 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26.2 | -176.2 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | D134 | D134-S136 WeakPolarHBondContact OD1-CB 3.36Å; D134-S136 PolarHBondContact OD1-N 3.02Å; D134-S136 PolarHBondContact OD1-OG 2.94Å; D134-S136 PolarHBondContact OD2-OG 3.29Å |
| 137 | S | 83.9 | Confident | 87.8 | Confident | 81 Ų | 81 | 83.2 Ų | 83.2 | 57% | 0.566 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -3.2 | 178.5 | 73.1 | 0 | 0 | 0 | 0 | 114 | L135 | L135-S137 PolarHBondContact O-N 2.97Š|
| 138 | R | 89.4 | Confident | 87.2 | Confident | 118 Ų | 118 | 81 Ų | 81 | 45% | 0.445 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -85.2 | 145.3 | -178.3 | -59.9 | -65.4 | 166.3 | -163.6 | -2.2 | 110 | L135 L143 | L135-R138 HydrophobicContact CD2-CG 4.39Å; L135-R138 PolarHBondContact O-N 3.39Å; L135-R138 VanDerWaalsContact O-N 3.14Å; R138-L143 HydrophobicContact CB-CD2 4Å; R138-L143 HydrophobicContact CB-CG 4.21Å |
| 139 | S | 91.6 | Very high | 86.7 | Confident | 62 Ų | 62 | 78.7 Ų | 78.7 | 43% | 0.434 | 42% | 0.424 | S | S | . | . | trans | -68.7 | 149.6 | 177.5 | 65.1 | 0 | 0 | 0 | 0 | 110 | T141 D142 L143 | S139-T141 PolarHBondContact O-N 3.28Å; S139-T141 PolarHBondContact OG-OG1 3.45Å; S139-D142 PolarHBondContact O-N 2.88Å; S139-D142 WeakPolarHBondContact OG-CB 3.35Å; S139-D142 PolarHBondContact OG-N 3.15Å; S139-L143 PolarHBondContact O-N 2.97Å; S139-L143 VanDerWaalsContact O-N 3.12Å | ||
| 140 | K | 88.4 | Confident | 85.8 | Confident | 142 Ų | 142 | 81.2 Ų | 81.2 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -54.8 | -38.6 | 174.5 | -173.7 | 176.2 | 178.4 | -179 | 0 | 111.5 | D142 L143 D144 | K140-D142 VanDerWaalsContact C-N 3.35Å; K140-D142 PolarHBondContact O-N 2.98Å; K140-L143 PolarHBondContact O-N 3.44Å; K140-D144 WeakPolarHBondContact O-CB 3.4Å; K140-D144 PolarHBondContact O-N 3.43Å |
| 141 | T | 89.4 | Confident | 84.8 | Confident | 92 Ų | 92 | 86.6 Ų | 86.6 | 56% | 0.564 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.8 | -38.7 | 176.6 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | S139 C145 | S139-T141 PolarHBondContact O-N 3.28Å; S139-T141 PolarHBondContact OG-OG1 3.45Å; T141-C145 PolarHBondContact O-N 3.43Å; T141-C145 PolarHBondContact O-SG 3.28Å |
| 142 | D | 88.9 | Confident | 83.5 | Confident | 68 Ų | 68 | 86.7 Ų | 86.7 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.9 | -41.6 | 179.1 | -175.7 | 47 | 0 | 0 | 0 | 111 | S139 K140 D144 C145 I146 | S139-D142 PolarHBondContact O-N 2.88Å; S139-D142 WeakPolarHBondContact OG-CB 3.35Å; S139-D142 PolarHBondContact OG-N 3.15Å; K140-D142 VanDerWaalsContact C-N 3.35Å; K140-D142 PolarHBondContact O-N 2.98Å; D142-D144 VanDerWaalsContact C-N 3.33Å; D142-D144 PolarHBondContact O-N 2.88Å; D142-C145 WeakPolarHBondContact O-CB 3.48Å; D142-C145 PolarHBondContact O-N 3Å; D142-I146 WeakPolarHBondContact O-CG1 3.49Å; D142-I146 PolarHBondContact O-N 3.22Å |
| 143 | L | 88.6 | Confident | 81.9 | Confident | 38 Ų | 38 | 93.3 Ų | 93.3 | 20% | 0.199 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 172.8 | -63.3 | -179.7 | 0 | 0 | 0 | 111.2 | L135 R138 S139 K140 C145 I146 F147 | L135-L143 HydrophobicContact CB-CD2 4.22Å; L135-L143 HydrophobicContact CD1-CD2 4.38Å; L135-L143 HydrophobicContact CD2-CD2 4.13Å; L135-L143 HydrophobicContact CG-CD2 4.48Å; R138-L143 HydrophobicContact CB-CD2 4Å; R138-L143 HydrophobicContact CB-CG 4.21Å; S139-L143 PolarHBondContact O-N 2.97Å; S139-L143 VanDerWaalsContact O-N 3.12Å; K140-L143 PolarHBondContact O-N 3.44Å; L143-C145 VanDerWaalsContact C-N 3.32Å; L143-C145 PolarHBondContact O-N 3.14Å; L143-I146 PolarHBondContact O-N 2.93Å; L143-I146 VanDerWaalsContact O-N 3.09Å; L143-F147 HydrophobicContact CB-CD2 4.14Å; L143-F147 HydrophobicContact CB-CE2 4.06Å; L143-F147 HydrophobicContact CD2-CE2 4.45Å; L143-F147 WeakPolarHBondContact O-CD2 3.41Å; L143-F147 WeakPolarHBondContact O-CG 2.97Å; L143-F147 PolarHBondContact O-N 3.26Å |
| 144 | D | 87.2 | Confident | 79.9 | Confident | 14 Ų | 14 | 95.9 Ų | 95.9 | 8% | 0.075 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 177.8 | -77.5 | -15.7 | 0 | 0 | 0 | 111.9 | K140 D142 I146 F147 G148 K149 Q151 | K140-D144 WeakPolarHBondContact O-CB 3.4Å; K140-D144 PolarHBondContact O-N 3.43Å; D142-D144 VanDerWaalsContact C-N 3.33Å; D142-D144 PolarHBondContact O-N 2.88Å; D144-I146 VanDerWaalsContact C-N 3.31Å; D144-I146 PolarHBondContact O-N 2.64Å; D144-F147 PolarHBondContact O-N 2.91Å; D144-G148 CarbonylContact O-C 3.54Å; D144-G148 PolarHBondContact O-N 3.39Å; D144-K149 HydrophobicContact CB-CB 4.18Å; D144-K149 VanDerWaalsContact CB-O 3.32Å; D144-K149 WeakPolarHBondContact CB-O 3.44Å; D144-K149 PolarHBondContact O-N 3.03Å; D144-Q151 WeakPolarHBondContact OD2-CG 3.37Å; D144-Q151 PolarHBondContact OD2-NE2 2.95Å |
| 145 | C | 84.9 | Confident | 77.3 | Confident | 106 Ų | 106 | 100.7 Ų | 100.7 | 72% | 0.716 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.9 | -36.9 | 172.7 | -72.7 | 0 | 0 | 0 | 0 | 113.1 | T141 D142 L143 | T141-C145 PolarHBondContact O-N 3.43Å; T141-C145 PolarHBondContact O-SG 3.28Å; D142-C145 WeakPolarHBondContact O-CB 3.48Å; D142-C145 PolarHBondContact O-N 3Å; L143-C145 VanDerWaalsContact C-N 3.32Å; L143-C145 PolarHBondContact O-N 3.14Å |
| 146 | I | 87.9 | Confident | 75.2 | Confident | 118 Ų | 118 | 102.4 Ų | 102.4 | 61% | 0.605 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -75.5 | -41.3 | 178.2 | -62.9 | 166 | 0 | 0 | 0 | 110.9 | D142 L143 D144 G148 | D142-I146 WeakPolarHBondContact O-CG1 3.49Å; D142-I146 PolarHBondContact O-N 3.22Å; L143-I146 PolarHBondContact O-N 2.93Å; L143-I146 VanDerWaalsContact O-N 3.09Å; D144-I146 VanDerWaalsContact C-N 3.31Å; D144-I146 PolarHBondContact O-N 2.64Å; I146-G148 PolarHBondContact O-N 3.19Å |
| 147 | F | 83.4 | Confident | 72.8 | Confident | 128 Ų | 128 | 109 Ų | 109 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -80.7 | -0.8 | -179.6 | -65.1 | -57.1 | 0 | 0 | 0 | 113.6 | L143 D144 K149 | L143-F147 HydrophobicContact CB-CD2 4.14Å; L143-F147 HydrophobicContact CB-CE2 4.06Å; L143-F147 HydrophobicContact CD2-CE2 4.45Å; L143-F147 WeakPolarHBondContact O-CD2 3.41Å; L143-F147 WeakPolarHBondContact O-CG 2.97Å; L143-F147 PolarHBondContact O-N 3.26Å; D144-F147 PolarHBondContact O-N 2.91Å; F147-K149 HydrophobicContact CB-CD 4.34Å; F147-K149 HydrophobicContact CB-CG 4.07Å; F147-K149 PolarHBondContact O-N 3.3Å |
| 148 | G | 76.4 | Confident | 70.6 | Confident | 33 Ų | 33 | 108 Ų | 108 | 34% | 0.34 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 67.9 | 15.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | D144 I146 R150 | D144-G148 CarbonylContact O-C 3.54Å; D144-G148 PolarHBondContact O-N 3.39Å; I146-G148 PolarHBondContact O-N 3.19Å; G148-R150 PolarHBondContact O-N 3.3Å |
| 149 | K | 78.9 | Confident | 68.3 | Low | 112 Ų | 112 | 110.3 Ų | 110.3 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | trans | -81.2 | 104.9 | 179 | -64.4 | -174.4 | 179 | -171.5 | 0 | 108.3 | D144 F147 Q151 | D144-K149 HydrophobicContact CB-CB 4.18Å; D144-K149 VanDerWaalsContact CB-O 3.32Å; D144-K149 WeakPolarHBondContact CB-O 3.44Å; D144-K149 PolarHBondContact O-N 3.03Å; F147-K149 HydrophobicContact CB-CD 4.34Å; F147-K149 HydrophobicContact CB-CG 4.07Å; F147-K149 PolarHBondContact O-N 3.3Å; K149-Q151 PolarHBondContact O-N 3.09Å | ||
| 150 | R | 69.3 | Low | 65.5 | Low | 160 Ų | 160 | 111.5 Ų | 111.5 | 60% | 0.604 | 60% | 0.596 | S | S | * | * | trans | -82.2 | 118.1 | 173.9 | -61.1 | -174.9 | 69.4 | -166.8 | -6.4 | 108.1 | D75 G148 S152 | D75-R150 VanDerWaalsContact OD1-CD 3.3Å; D75-R150 WeakPolarHBondContact OD1-CD 3.5Å; D75-R150 IonicContact OD1-CZ 3.71Å; D75-R150 IonicContact OD1-NE 2.57Å; D75-R150 IonicContact OD1-NH1 3.48Å; D75-R150 PolarHBondContact OD1-NH1 3.43Å; D75-R150 IonicContact OD2-CZ 2.7Å; D75-R150 IonicContact OD2-NH1 3.72Å; D75-R150 PolarHBondContact OD2-NH1 3.17Å; G148-R150 PolarHBondContact O-N 3.3Å; R150-S152 VanDerWaalsContact C-N 3.34Å; R150-S152 PolarHBondContact O-N 3.48Å | ||
| 151 | Q | 66.6 | Low | 63 | Low | 114 Ų | 114 | 109.9 Ų | 109.9 | 53% | 0.533 | 60% | 0.603 | S | S | . | * | trans | -63 | 100.1 | 167.4 | -65.6 | -65.1 | -46.7 | 0 | 0 | 107 | D144 K149 K153 | D144-Q151 WeakPolarHBondContact OD2-CG 3.37Å; D144-Q151 PolarHBondContact OD2-NE2 2.95Å; K149-Q151 PolarHBondContact O-N 3.09Å; Q151-K153 PolarHBondContact O-N 3Å | ||
| 152 | S | 60.5 | Low | 60.5 | Low | 89 Ų | 89 | 111.4 Ų | 111.4 | 62% | 0.622 | 62% | 0.615 | S | S | * | * | trans | -59.8 | 114.7 | 169.7 | 56.8 | 0 | 0 | 0 | 0 | 106.2 | R150 K154 | R150-S152 VanDerWaalsContact C-N 3.34Å; R150-S152 PolarHBondContact O-N 3.48Å; S152-K154 PolarHBondContact O-N 3.29Å | ||
| 153 | K | 54.8 | Low | 57.8 | Low | 198 Ų | 198 | 113.5 Ų | 113.5 | 86% | 0.861 | 64% | 0.635 | S | S | * | * | trans | -67.6 | 87.4 | 169.4 | -69.1 | -152.3 | 178.3 | -171.6 | 0 | 106.2 | Q151 T155 | Q151-K153 PolarHBondContact O-N 3Å; K153-T155 PolarHBondContact O-N 3.26Å | ||
| 154 | K | 47.1 | Very low | 55.2 | Low | 184 Ų | 184 | 117.4 Ų | 117.4 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | trans | -62.8 | 92.9 | 161.3 | -67.3 | -173.4 | -179.5 | -176 | 0 | 105.5 | S152 | S152-K154 PolarHBondContact O-N 3.29Š| ||
| 155 | T | 33.7 | Very low | 53 | Low | 114 Ų | 114 | 122.7 Ų | 122.7 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | trans | -51.5 | 129.3 | 155.8 | 42.2 | 0 | 0 | 0 | 0 | 106.7 | K153 K157 | K153-T155 PolarHBondContact O-N 3.26Å; T155-K157 PolarHBondContact O-N 3.43Å | ||
| 156 | P | 41.6 | Very low | 50.4 | Low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -60.7 | 108.8 | 173.5 | 25.4 | -30.6 | 0 | 0 | 0 | 106.7 | G158 | P156-G158 PolarHBondContact O-N 3.4Å; P156-G158 VanDerWaalsContact O-N 3.14Å | ||
| 157 | K | 36.4 | Very low | 48.6 | Very low | 191 Ų | 191 | 127.5 Ų | 127.5 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | trans | -72.4 | 106.3 | 176.1 | -156.8 | 176.4 | -174.7 | -178.3 | 0 | 105.3 | T155 | T155-K157 PolarHBondContact O-N 3.43Š| ||
| 158 | G | 38.3 | Very low | 47.1 | Very low | 60 Ų | 60 | 128.1 Ų | 128.1 | 62% | 0.619 | 72% | 0.719 | S | S | * | * | trans | -57.2 | 135.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P156 A160 | P156-G158 PolarHBondContact O-N 3.4Å; P156-G158 VanDerWaalsContact O-N 3.14Å; G158-A160 PolarHBondContact O-N 2.63Å | ||
| 159 | D | 40.8 | Very low | 45.9 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | trans | 23.3 | 91 | 159.9 | -53.5 | -33.9 | 0 | 0 | 0 | 116.4 | ||||
| 160 | A | 33 | Very low | 44.2 | Very low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | trans | -95.6 | 110.2 | 157 | 0 | 0 | 0 | 0 | 0 | 108.6 | G158 | G158-A160 PolarHBondContact O-N 2.63Š| ||
| 161 | S | 34.8 | Very low | 43.1 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -52.3 | 143.7 | 164.2 | -144.1 | 0 | 0 | 0 | 0 | 110.7 | S163 | S161-S163 PolarHBondContact O-N 2.95Š| ||
| 162 | P | 37.4 | Very low | 42.2 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -77.3 | 105.7 | -178.6 | 30.8 | -31.5 | 0 | 0 | 0 | 110.2 | T164 | P162-T164 PolarHBondContact O-N 2.87Š| ||
| 163 | S | 32 | Very low | 42.1 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -83.5 | 109.7 | 161.9 | 67 | 0 | 0 | 0 | 0 | 108.8 | S161 | S161-S163 PolarHBondContact O-N 2.95Š| ||
| 164 | T | 34.9 | Very low | 42.8 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | 7.3 | 128.4 | 157.7 | 54.6 | 0 | 0 | 0 | 0 | 118.5 | P162 D166 | P162-T164 PolarHBondContact O-N 2.87Å; T164-D166 PolarHBondContact O-N 3.3Å | ||
| 165 | P | 40.4 | Very low | 43.9 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 116.9 | 164.1 | 30.6 | -28.5 | 0 | 0 | 0 | 108.5 | ||
| 166 | D | 30.9 | Very low | 45.6 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 128.1 | 160.9 | -139.2 | -21.1 | 0 | 0 | 0 | 106.8 | T164 | T164-D166 PolarHBondContact O-N 3.3Š|
| 167 | E | 50 | Low | 47.7 | Very low | 163 Ų | 163 | 125.9 Ų | 125.9 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -64.8 | 166.5 | -172.8 | -63.6 | -150.6 | 148.7 | 0 | 0 | 112.1 | ||
| 168 | N | 51 | Low | 50 | Low | 140 Ų | 140 | 122.8 Ų | 122.8 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | trans | 104.2 | 45.5 | 164.1 | -38.3 | -52.8 | 0 | 0 | 0 | 118.1 | ||||
| 169 | E | 51.2 | Low | 52.2 | Low | 190 Ų | 190 | 127.5 Ų | 127.5 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -117.1 | 68.1 | 148.6 | -70.1 | -169.8 | -175.9 | 0 | 0 | 110 | T171 | E169-T171 PolarHBondContact O-N 2.95Š| ||
| 170 | T | 44.4 | Very low | 54.5 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | -78.4 | 93 | 169.8 | 29.1 | 0 | 0 | 0 | 0 | 109.7 | T172 | T170-T172 VanDerWaalsContact C-N 3.3Å; T170-T172 PolarHBondContact O-N 3.16Å; T170-T172 PolarHBondContact O-OG1 3.35Å | ||
| 171 | T | 45.8 | Very low | 57.1 | Low | 132 Ų | 132 | 125.9 Ų | 125.9 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | trans | -60.9 | 94 | 163.9 | -52.3 | 0 | 0 | 0 | 0 | 108.9 | E169 | E169-T171 PolarHBondContact O-N 2.95Š| ||
| 172 | T | 48 | Very low | 59.8 | Low | 111 Ų | 111 | 126.5 Ų | 126.5 | 68% | 0.681 | 71% | 0.705 | S | S | * | * | trans | -91.2 | 102.4 | 177.6 | -55.6 | 0 | 0 | 0 | 0 | 108.4 | T170 S174 | T170-T172 VanDerWaalsContact C-N 3.3Å; T170-T172 PolarHBondContact O-N 3.16Å; T170-T172 PolarHBondContact O-OG1 3.35Å; T172-S174 PolarHBondContact O-N 3.32Å | ||
| 173 | T | 57.4 | Low | 62.3 | Low | 135 Ų | 135 | 123.5 Ų | 123.5 | 83% | 0.828 | 69% | 0.691 | S | S | * | * | trans | -69.2 | 92.9 | 171.4 | 53.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 174 | S | 69.9 | Low | 65 | Low | 64 Ų | 64 | 125.9 Ų | 125.9 | 45% | 0.448 | 69% | 0.687 | S | S | . | * | trans | -99.3 | 141.4 | 177.1 | 75.1 | 0 | 0 | 0 | 0 | 111.2 | T172 F176 | T172-S174 PolarHBondContact O-N 3.32Å; S174-F176 PolarHBondContact O-N 3.39Å | ||
| 175 | A | 69.3 | Low | 67.5 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 89% | 0.893 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -73.3 | 13.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 176 | F | 70.9 | Confident | 69.6 | Low | 130 Ų | 130 | 126.7 Ų | 126.7 | 57% | 0.57 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -102.3 | 145.8 | -173.8 | -63.7 | -73.1 | 0 | 0 | 0 | 111.8 | S174 E180 | S174-F176 PolarHBondContact O-N 3.39Å; F176-E180 HydrophobicContact CB-CB 4.49Å; F176-E180 VanDerWaalsContact CD1-OE2 3.24Å; F176-E180 WeakPolarHBondContact CD1-OE2 3.22Å |
| 177 | T | 84.7 | Confident | 72.2 | Confident | 94 Ų | 94 | 121.2 Ų | 121.2 | 58% | 0.577 | 64% | 0.644 | S | S | * | * | trans | -62.6 | 142.1 | 174.3 | -69.5 | 0 | 0 | 0 | 0 | 110.1 | Q179 E180 Y181 | T177-Q179 HydrophobicContact CG2-CB 4.32Å; T177-Q179 PolarHBondContact O-N 3.03Å; T177-E180 VanDerWaalsContact O-CB 3.32Å; T177-E180 WeakPolarHBondContact O-CB 3.42Å; T177-E180 PolarHBondContact O-N 2.85Å; T177-Y181 PolarHBondContact O-N 3.35Å | ||
| 178 | I | 84.4 | Confident | 73.8 | Confident | 126 Ų | 126 | 116.6 Ų | 116.6 | 65% | 0.646 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -49 | -37.7 | -176.8 | -66.8 | 168.2 | 0 | 0 | 0 | 112.7 | E180 Y181 F182 | I178-E180 VanDerWaalsContact C-N 3.34Å; I178-E180 PolarHBondContact O-N 2.99Å; I178-Y181 WeakPolarHBondContact O-CB 3.41Å; I178-Y181 PolarHBondContact O-N 3.03Å; I178-F182 HydrophobicContact CG2-CD2 3.79Å; I178-F182 HydrophobicContact CG2-CE2 3.46Å; I178-F182 VanDerWaalsContact CG2-CE2 3.46Å; I178-F182 WeakPolarHBondContact O-CD2 3.49Å; I178-F182 PolarHBondContact O-N 3.27Å |
| 179 | Q | 85.6 | Confident | 75.1 | Confident | 158 Ų | 158 | 115.3 Ų | 115.3 | 74% | 0.738 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.8 | -37.3 | 178.3 | -69.7 | -179.5 | -29.8 | 0 | 0 | 113.2 | T177 F182 A183 | T177-Q179 HydrophobicContact CG2-CB 4.32Å; T177-Q179 PolarHBondContact O-N 3.03Å; Q179-F182 PolarHBondContact O-N 3.39Å; Q179-A183 PolarHBondContact O-N 3.47Å |
| 180 | E | 88.7 | Confident | 76.3 | Confident | 108 Ų | 108 | 114.6 Ų | 114.6 | 51% | 0.505 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.2 | -35 | -178.1 | -154.1 | 172.9 | -173.6 | 0 | 0 | 111.2 | F176 T177 I178 A183 K184 | F176-E180 HydrophobicContact CB-CB 4.49Å; F176-E180 VanDerWaalsContact CD1-OE2 3.24Å; F176-E180 WeakPolarHBondContact CD1-OE2 3.22Å; T177-E180 VanDerWaalsContact O-CB 3.32Å; T177-E180 WeakPolarHBondContact O-CB 3.42Å; T177-E180 PolarHBondContact O-N 2.85Å; I178-E180 VanDerWaalsContact C-N 3.34Å; I178-E180 PolarHBondContact O-N 2.99Å; E180-A183 PolarHBondContact O-N 3.44Å; E180-K184 WeakPolarHBondContact O-CB 3.5Å; E180-K184 PolarHBondContact O-N 2.88Å |
| 181 | Y | 88.2 | Confident | 77.6 | Confident | 113 Ų | 113 | 115.2 Ų | 115.2 | 44% | 0.443 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.5 | -48.1 | 171.7 | 173.4 | -100.3 | 0 | 0 | 0 | 112.1 | T177 I178 K184 R185 | T177-Y181 PolarHBondContact O-N 3.35Å; I178-Y181 WeakPolarHBondContact O-CB 3.41Å; I178-Y181 PolarHBondContact O-N 3.03Å; Y181-K184 PolarHBondContact O-N 3.36Å; Y181-R185 WeakPolarHBondContact O-CB 3.41Å; Y181-R185 PolarHBondContact O-N 3.27Å |
| 182 | F | 90.3 | Very high | 78.9 | Confident | 121 Ų | 121 | 116.9 Ų | 116.9 | 53% | 0.531 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.7 | -39.7 | 178.5 | -75.7 | -67.6 | 0 | 0 | 0 | 112.1 | I178 Q179 K184 R185 M186 | I178-F182 HydrophobicContact CG2-CD2 3.79Å; I178-F182 HydrophobicContact CG2-CE2 3.46Å; I178-F182 VanDerWaalsContact CG2-CE2 3.46Å; I178-F182 WeakPolarHBondContact O-CD2 3.49Å; I178-F182 PolarHBondContact O-N 3.27Å; Q179-F182 PolarHBondContact O-N 3.39Å; F182-K184 PolarHBondContact O-N 3.01Å; F182-R185 PolarHBondContact O-N 3.43Å; F182-M186 WeakPolarHBondContact O-CB 3.32Å; F182-M186 WeakPolarHBondContact O-CG 3.17Å; F182-M186 PolarHBondContact O-N 3.03Å |
| 183 | A | 90.3 | Very high | 79.3 | Confident | 62 Ų | 62 | 116.8 Ų | 116.8 | 51% | 0.512 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -59.3 | -46.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q179 E180 M186 A187 | Q179-A183 PolarHBondContact O-N 3.47Å; E180-A183 PolarHBondContact O-N 3.44Å; A183-M186 PolarHBondContact O-N 3.38Å; A183-A187 WeakPolarHBondContact O-CB 3.24Å; A183-A187 PolarHBondContact O-N 3.47Å |
| 184 | K | 87.8 | Confident | 79 | Confident | 162 Ų | 162 | 119.8 Ų | 119.8 | 70% | 0.704 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.6 | -42.6 | 177.2 | -172.5 | 174.8 | -178.9 | 177.2 | 0 | 112.3 | E180 Y181 F182 A187 A188 | E180-K184 WeakPolarHBondContact O-CB 3.5Å; E180-K184 PolarHBondContact O-N 2.88Å; Y181-K184 PolarHBondContact O-N 3.36Å; F182-K184 PolarHBondContact O-N 3.01Å; K184-A187 PolarHBondContact O-N 3.33Å; K184-A188 PolarHBondContact O-N 2.9Å |
| 185 | R | 87.9 | Confident | 77.6 | Confident | 150 Ų | 150 | 122.4 Ų | 122.4 | 57% | 0.566 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.2 | -43.4 | 177.3 | -165.7 | 85.3 | -176.7 | -171.4 | 4.2 | 111.6 | Y181 F182 A188 L189 | Y181-R185 WeakPolarHBondContact O-CB 3.41Å; Y181-R185 PolarHBondContact O-N 3.27Å; F182-R185 PolarHBondContact O-N 3.43Å; R185-A188 PolarHBondContact O-N 3.02Å; R185-L189 WeakPolarHBondContact O-CG 3.36Å; R185-L189 PolarHBondContact O-N 3.42Å; R185-L189 VanDerWaalsContact O-N 3.17Å |
| 186 | M | 84.9 | Confident | 76.7 | Confident | 112 Ų | 112 | 123.2 Ų | 123.2 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.2 | -36.2 | 179.1 | -70.1 | -66.4 | -79 | 0 | 0 | 112.2 | F182 A183 L189 K190 | F182-M186 WeakPolarHBondContact O-CB 3.32Å; F182-M186 WeakPolarHBondContact O-CG 3.17Å; F182-M186 PolarHBondContact O-N 3.03Å; A183-M186 PolarHBondContact O-N 3.38Å; M186-L189 PolarHBondContact O-N 2.99Å; M186-K190 WeakPolarHBondContact O-CG 3.18Å; M186-K190 PolarHBondContact O-N 2.93Å |
| 187 | A | 86 | Confident | 74.9 | Confident | 46 Ų | 46 | 123.2 Ų | 123.2 | 38% | 0.38 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.8 | -39 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A183 K184 L189 K190 N191 | A183-A187 WeakPolarHBondContact O-CB 3.24Å; A183-A187 PolarHBondContact O-N 3.47Å; K184-A187 PolarHBondContact O-N 3.33Å; A187-L189 VanDerWaalsContact C-N 3.32Å; A187-L189 PolarHBondContact O-N 3.49Å; A187-K190 PolarHBondContact O-N 3.17Å; A187-N191 PolarHBondContact O-N 3.4Å; A187-N191 PolarHBondContact O-ND2 3.43Å |
| 188 | A | 83.6 | Confident | 73 | Confident | 66 Ų | 66 | 124.9 Ų | 124.9 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.2 | -35.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K184 R185 | K184-A188 PolarHBondContact O-N 2.9Å; R185-A188 PolarHBondContact O-N 3.02Å |
| 189 | L | 78.7 | Confident | 70.5 | Confident | 114 Ų | 114 | 122.7 Ų | 122.7 | 60% | 0.597 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.1 | -32.5 | 175.6 | -70.3 | 173.4 | 0 | 0 | 0 | 112.8 | R185 M186 A187 | R185-L189 WeakPolarHBondContact O-CG 3.36Å; R185-L189 PolarHBondContact O-N 3.42Å; R185-L189 VanDerWaalsContact O-N 3.17Å; M186-L189 PolarHBondContact O-N 2.99Å; A187-L189 VanDerWaalsContact C-N 3.32Å; A187-L189 PolarHBondContact O-N 3.49Å |
| 190 | K | 75.8 | Confident | 68 | Low | 175 Ų | 175 | 121.1 Ų | 121.1 | 76% | 0.761 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.6 | -25.4 | 179.5 | -72.4 | -179.2 | 175.7 | -172.7 | 0 | 113.6 | M186 A187 | M186-K190 WeakPolarHBondContact O-CG 3.18Å; M186-K190 PolarHBondContact O-N 2.93Å; A187-K190 PolarHBondContact O-N 3.17Å |
| 191 | N | 70.4 | Confident | 65.3 | Low | 133 Ų | 133 | 123 Ų | 123 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 11.9 | 179.7 | -68.3 | -56.9 | 0 | 0 | 0 | 113.7 | A187 P193 | A187-N191 PolarHBondContact O-N 3.4Å; A187-N191 PolarHBondContact O-ND2 3.43Å; N191-P193 WeakPolarHBondContact O-CD 3.47Å |
| 192 | K | 74.1 | Confident | 62.8 | Low | 167 Ų | 167 | 123.7 Ų | 123.7 | 73% | 0.726 | 70% | 0.697 | S | S | * | * | trans | -86.2 | 109.2 | 177.7 | -156.3 | 168.7 | -174 | 178.7 | 0 | 109.3 | Q194 | K192-Q194 PolarHBondContact O-N 3.32Š| ||
| 193 | P | 56.1 | Low | 60.3 | Low | 108 Ų | 108 | 123.3 Ų | 123.3 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -66.6 | 133.2 | -179.4 | 24.5 | -31.1 | 0 | 0 | 0 | 110.9 | N191 V195 | N191-P193 WeakPolarHBondContact O-CD 3.47Å; P193-V195 PolarHBondContact O-N 3.29Å | ||
| 194 | Q | 51.4 | Low | 57.5 | Low | 198 Ų | 198 | 129.9 Ų | 129.9 | 93% | 0.925 | 73% | 0.727 | S | S | * | * | trans | -67.6 | 113.9 | 167.5 | -75.4 | -175.1 | 16 | 0 | 0 | 108.8 | K192 | K192-Q194 PolarHBondContact O-N 3.32Š| ||
| 195 | V | 41.6 | Very low | 54.8 | Low | 120 Ų | 120 | 128.5 Ų | 128.5 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | -84.4 | 126.1 | 166.9 | 178.2 | 0 | 0 | 0 | 0 | 107.8 | P193 V197 | P193-V195 PolarHBondContact O-N 3.29Å; V195-V197 HydrophobicContact CG1-CG2 4.47Å | ||
| 196 | P | 48.7 | Very low | 52.2 | Low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -83.1 | 130.6 | 171.4 | 13.9 | 0.8 | 0 | 0 | 0 | 110.5 | ||||
| 197 | V | 34.3 | Very low | 49.8 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | -123.3 | 133.1 | 166.1 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | V195 | V195-V197 HydrophobicContact CG1-CG2 4.47Š| ||
| 198 | P | 44.3 | Very low | 47.1 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | trans | -90 | 145.6 | -169.5 | 34.7 | -33.2 | 0 | 0 | 0 | 114 | ||||
| 199 | G | 32.2 | Very low | 44.6 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | 105 | 95.5 | 141.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 200 | S | 32.1 | Very low | 42.6 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -175.9 | 95.9 | 130.8 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 201 | D | 33.5 | Very low | 40.7 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -49.5 | 158.6 | 159.7 | -87 | -48.3 | 0 | 0 | 0 | 112.5 | ||||
| 202 | T | 35.8 | Very low | 38.9 | Very low | 126 Ų | 126 | 144 Ų | 144 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | -158.3 | 154.5 | 16 | 33.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 203 | S | 36.8 | Very low | 37.4 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | -164.6 | 135.3 | 78.4 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 204 | K | 32.4 | Very low | 36.6 | Very low | 200 Ų | 200 | 150.6 Ų | 150.6 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | trans | -58.9 | 134.8 | 171.1 | -65.1 | 165 | 177.6 | 169.6 | 0 | 111.6 | ||||
| 205 | T | 29.6 | Very low | 36.1 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -132.9 | 114.8 | 147 | -68.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 206 | Q | 34.5 | Very low | 35.7 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -76.2 | 130.6 | 172.9 | -70.4 | -166.8 | -0.2 | 0 | 0 | 109.3 | ||||
| 207 | V | 33.5 | Very low | 35.2 | Very low | 118 Ų | 118 | 155.1 Ų | 155.1 | 72% | 0.715 | 81% | 0.814 | S | S | * | * | trans | -128.4 | 115.3 | 151.3 | 176.6 | 0 | 0 | 0 | 0 | 107.3 | H209 | V207-H209 PolarHBondContact O-N 3.24Š| ||
| 208 | E | 30.1 | Very low | 35.1 | Very low | 142 Ų | 142 | 157.6 Ų | 157.6 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | trans | -50 | 127.3 | 172.8 | -95.4 | -164.1 | 131 | 0 | 0 | 111.7 | K210 | E208-K210 WeakPolarHBondContact OE1-CE 3.41Š| ||
| 209 | H | 30.4 | Very low | 34.5 | Very low | 180 Ų | 180 | 156.1 Ų | 156.1 | 83% | 0.833 | 82% | 0.816 | S | S | * | * | trans | -104.4 | 101.8 | 157.5 | -77.8 | -93 | 0 | 0 | 0 | 109 | V207 R211 | V207-H209 PolarHBondContact O-N 3.24Å; H209-R211 PolarHBondContact O-N 2.89Å | ||
| 210 | K | 37.2 | Very low | 34.6 | Very low | 170 Ų | 170 | 159 Ų | 159 | 74% | 0.739 | 82% | 0.817 | S | S | * | * | trans | -74 | 123.9 | 171.1 | -83.4 | -177.6 | 177.7 | 168.3 | 0 | 110.6 | E208 G212 | E208-K210 WeakPolarHBondContact OE1-CE 3.41Å; K210-G212 PolarHBondContact O-N 3.23Å | ||
| 211 | R | 35.3 | Very low | 34.5 | Very low | 253 Ų | 253 | 156.4 Ų | 156.4 | 96% | 0.955 | 81% | 0.811 | S | S | * | * | trans | -58.7 | 122.8 | 172.4 | -73.9 | 175.8 | 164.2 | -166.5 | -4.8 | 111.1 | H209 | H209-R211 PolarHBondContact O-N 2.89Š| ||
| 212 | G | 33.6 | Very low | 34.7 | Very low | 81 Ų | 81 | 158.1 Ų | 158.1 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -108 | 106.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | K210 | K210-G212 PolarHBondContact O-N 3.23Š| ||
| 213 | K | 41.4 | Very low | 34.9 | Very low | 201 Ų | 201 | 159.3 Ų | 159.3 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -82.4 | 121.9 | 175.8 | -178.3 | 165.7 | -178.3 | 170.9 | 0 | 109.6 | ||||
| 214 | K | 39 | Very low | 34.8 | Very low | 212 Ų | 212 | 160.2 Ų | 160.2 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | trans | -150.3 | 144.2 | 157.5 | -140 | 171.3 | -176.8 | 177 | 0 | 111.8 | ||||
| 215 | R | 40.9 | Very low | 35.2 | Very low | 202 Ų | 202 | 157.7 Ų | 157.7 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -95.3 | 161.1 | -156.5 | -63.4 | 160.4 | 65.9 | -175.7 | 3.5 | 113.2 | ||||
| 216 | N | 35 | Very low | 35.4 | Very low | 137 Ų | 137 | 156.8 Ų | 156.8 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | 70.9 | 149.2 | 155.7 | -63.6 | -7.2 | 0 | 0 | 0 | 115.7 | ||||
| 217 | K | 36.4 | Very low | 35.2 | Very low | 198 Ų | 198 | 158.1 Ų | 158.1 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | cis | -160.7 | 150.1 | 19.3 | -158.5 | 170.7 | 175.5 | 177.8 | 0 | 108.9 | ||||
| 218 | E | 32.3 | Very low | 35.5 | Very low | 183 Ų | 183 | 158 Ų | 158 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -59.4 | 139.6 | 168.9 | -174.2 | 175.9 | -161.6 | 0 | 0 | 113.1 | ||||
| 219 | A | 33.5 | Very low | 35.9 | Very low | 96 Ų | 96 | 159.3 Ų | 159.3 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | -174.6 | 122.5 | 142.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 220 | T | 32.7 | Very low | 36.2 | Very low | 141 Ų | 141 | 156.2 Ų | 156.2 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -40.1 | 146.3 | 161.5 | -49.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 221 | G | 31.3 | Very low | 36 | Very low | 71 Ų | 71 | 158.2 Ų | 158.2 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | trans | 179.2 | 130.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 222 | E | 37.4 | Very low | 36 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -81.7 | 162.9 | -160.3 | -66.2 | 173.6 | 150.6 | 0 | 0 | 115.5 | ||||
| 223 | D | 38.7 | Very low | 36.3 | Very low | 151 Ų | 151 | 157 Ų | 157 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | trans | 5.3 | 127.6 | 137.1 | -165.5 | 57.1 | 0 | 0 | 0 | 117.1 | ||||
| 224 | V | 35.8 | Very low | 36 | Very low | 132 Ų | 132 | 159.2 Ų | 159.2 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | -174.5 | 124.9 | 135 | 145.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 225 | D | 41.2 | Very low | 35.6 | Very low | 147 Ų | 147 | 157.6 Ų | 157.6 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -54.3 | 135.4 | 170.2 | -160.1 | 2.3 | 0 | 0 | 0 | 112.8 | ||||
| 226 | S | 33.2 | Very low | 35.3 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -158.7 | 106.4 | 165.8 | -148.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 227 | Y | 31.1 | Very low | 35.3 | Very low | 207 Ų | 207 | 159.5 Ų | 159.5 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 136.1 | 171.7 | -139.6 | -92.5 | 0 | 0 | 0 | 111.1 | ||
| 228 | P | 39.1 | Very low | 35 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 122.1 | 175.7 | 31.9 | -28 | 0 | 0 | 0 | 112.1 | ||
| 229 | Q | 38.2 | Very low | 35.1 | Very low | 169 Ų | 169 | 154.8 Ų | 154.8 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 143.7 | 163 | -84.6 | -86.2 | -12.9 | 0 | 0 | 110.5 | ||
| 230 | P | 36.9 | Very low | 35.5 | Very low | 116 Ų | 116 | 155.9 Ų | 155.9 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 142.3 | -173.7 | 32.8 | -32 | 0 | 0 | 0 | 113.3 | ||
| 231 | K | 34.1 | Very low | 35.4 | Very low | 211 Ų | 211 | 157.2 Ų | 157.2 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 133.2 | 177.4 | -71.7 | -172.4 | 178 | 178.8 | 0 | 112.9 | ||
| 232 | A | 34.8 | Very low | 35.3 | Very low | 100 Ų | 100 | 163.3 Ų | 163.3 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 150.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 233 | K | 39.5 | Very low | 35 | Very low | 210 Ų | 210 | 159.5 Ų | 159.5 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 142.1 | 176.5 | -66 | 178 | 177.5 | 177.2 | 0 | 111.4 | ||
| 234 | R | 34.4 | Very low | 34.6 | Very low | 246 Ų | 246 | 161 Ų | 161 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | trans | -121.1 | 145.8 | 164.4 | -71.8 | -170.2 | -171.8 | -176.8 | 3.5 | 111.1 | ||||
| 235 | H | 31.2 | Very low | 34.2 | Very low | 178 Ų | 178 | 159.2 Ų | 159.2 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | trans | -68.1 | 157.1 | 178.5 | -80.1 | -111.5 | 0 | 0 | 0 | 113.5 | ||||
| 236 | M | 35.5 | Very low | 33.8 | Very low | 187 Ų | 187 | 161.2 Ų | 161.2 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -139.5 | 118 | 151.4 | -82.4 | -62.9 | -156.4 | 0 | 0 | 109.8 | ||||
| 237 | E | 33.2 | Very low | 33.6 | Very low | 192 Ų | 192 | 163.7 Ų | 163.7 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | trans | -90.9 | 151.5 | 157.3 | -81.8 | -172.6 | 144.3 | 0 | 0 | 109.5 | ||||
| 238 | G | 29.9 | Very low | 33.6 | Very low | 78 Ų | 78 | 165.7 Ų | 165.7 | 80% | 0.804 | 84% | 0.837 | S | S | * | * | trans | 154.3 | 103.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 239 | K | 35.5 | Very low | 33.2 | Very low | 204 Ų | 204 | 165.8 Ų | 165.8 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | trans | -103.2 | 158.1 | 156 | -86.8 | -154.5 | 175 | -169.1 | 0 | 109.2 | ||||
| 240 | P | 41.4 | Very low | 32.9 | Very low | 119 Ų | 119 | 161.7 Ų | 161.7 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | -145.7 | 163.9 | 104.9 | 32.7 | -13.4 | 0 | 0 | 0 | 116.7 | |||||
| 241 | E | 30.1 | Very low | 32.6 | Very low | 170 Ų | 170 | 166 Ų | 166 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | 34.9 | 161.3 | 152.5 | -73.4 | -162.3 | 119.9 | 0 | 0 | 123.8 | ||||
| 242 | R | 29.9 | Very low | 32.5 | Very low | 198 Ų | 198 | 166 Ų | 166 | 75% | 0.747 | 84% | 0.837 | S | S | * | * | cis | 176.5 | 126.1 | -30 | -172.3 | -179.1 | -166.6 | -173.4 | 5 | 104.7 | ||||
| 243 | A | 31.4 | Very low | 32.2 | Very low | 106 Ų | 106 | 167.2 Ų | 167.2 | 88% | 0.876 | 84% | 0.839 | S | S | * | * | trans | -155.5 | 143.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 244 | K | 29.2 | Very low | 31.7 | Very low | 181 Ų | 181 | 160.5 Ų | 160.5 | 79% | 0.787 | 83% | 0.83 | S | S | * | * | trans | -103.2 | 169.3 | -165.2 | -76.9 | -175.9 | 173.5 | -178.7 | 0 | 113.6 | ||||
| 245 | A | 28.4 | Very low | 31.7 | Very low | 96 Ų | 96 | 155.3 Ų | 155.3 | 79% | 0.793 | 83% | 0.828 | S | S | * | * | trans | 94.9 | 133.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 246 | Q | 31.8 | Very low | 31.5 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | cis | -147.8 | 156.5 | 32.3 | -75.5 | 175.9 | -21.9 | 0 | 0 | 113.9 | ||||
| 247 | E | 29.6 | Very low | 31.4 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 77% | 0.771 | 83% | 0.825 | S | S | * | * | trans | -79.6 | 142.8 | 171.3 | 171.5 | -176.3 | 178.1 | 0 | 0 | 112.2 | V249 | E247-V249 HydrophobicContact CG-CG2 4.22Š| ||
| 248 | R | 31.6 | Very low | 31.3 | Very low | 250 Ų | 250 | 150 Ų | 150 | 94% | 0.943 | 82% | 0.819 | S | S | * | * | trans | -144.5 | 140.1 | 146.7 | -74.1 | -159.1 | 178 | -134.3 | -1.3 | 111.6 | ||||
| 249 | V | 30.2 | Very low | 31.5 | Very low | 118 Ų | 118 | 154.4 Ų | 154.4 | 72% | 0.715 | 82% | 0.818 | S | S | * | * | trans | -98.9 | 156.5 | -167.1 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | E247 | E247-V249 HydrophobicContact CG-CG2 4.22Š| ||
| 250 | A | 31.3 | Very low | 31.4 | Very low | 83 Ų | 83 | 151 Ų | 151 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | trans | 123 | 138.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 251 | K | 32.6 | Very low | 30.9 | Very low | 207 Ų | 207 | 156.3 Ų | 156.3 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | cis | -165.3 | 158.2 | 1.7 | -107.9 | 167.7 | -173.9 | 179.2 | 0 | 108.3 | ||||
| 252 | K | 31.4 | Very low | 31.1 | Very low | 211 Ų | 211 | 151.1 Ų | 151.1 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -46 | 147.2 | 172.3 | -96.9 | 167.7 | 164.9 | 173.6 | 0 | 116.9 | ||||
| 253 | S | 27.3 | Very low | 31.6 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | -172.7 | 152.1 | 121.2 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 254 | G | 29.2 | Very low | 31.4 | Very low | 70 Ų | 70 | 148.4 Ų | 148.4 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -87.5 | -164.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 255 | P | 35.6 | Very low | 31.3 | Very low | 136 Ų | 136 | 151.4 Ų | 151.4 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -92.4 | 142.2 | -155.8 | 35.6 | -32 | 0 | 0 | 0 | 113.4 | ||||
| 256 | A | 26.9 | Very low | 31.2 | Very low | 102 Ų | 102 | 153.9 Ų | 153.9 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -115.7 | 125.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 257 | E | 34.2 | Very low | 31.1 | Very low | 181 Ų | 181 | 153.4 Ų | 153.4 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -65.9 | 125.1 | 172.7 | -174.4 | -179.4 | -163.5 | 0 | 0 | 109.8 | ||||
| 258 | E | 30.3 | Very low | 31 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -137.6 | 104.8 | 169 | -162.4 | 167 | -173.2 | 0 | 0 | 110.8 | L260 | E258-L260 HydrophobicContact CG-CD1 4.37Å; E258-L260 HydrophobicContact CG-CG 4.27Å; E258-L260 WeakPolarHBondContact OE1-CD1 3.34Å | ||
| 259 | Q | 34.4 | Very low | 31.1 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -82.2 | 124 | 159.6 | -67.2 | -164.8 | 23.8 | 0 | 0 | 109.1 | ||||
| 260 | L | 33.5 | Very low | 31.1 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -141.8 | 101.3 | 155.6 | -71.1 | 175.4 | 0 | 0 | 0 | 106.9 | E258 | E258-L260 HydrophobicContact CG-CD1 4.37Å; E258-L260 HydrophobicContact CG-CG 4.27Å; E258-L260 WeakPolarHBondContact OE1-CD1 3.34Å | ||
| 261 | R | 30.2 | Very low | 31 | Very low | 230 Ų | 230 | 148.7 Ų | 148.7 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | 63.3 | 105.8 | 85.4 | -168.5 | 178.2 | -74.7 | -105.9 | 3.5 | 110.5 | |||||
| 262 | G | 34.8 | Very low | 30.9 | Very low | 60 Ų | 60 | 144.8 Ų | 144.8 | 62% | 0.619 | 82% | 0.818 | S | S | * | * | trans | -68.6 | 165.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | C264 | G262-C264 PolarHBondContact O-N 3.46Š| ||
| 263 | P | 39.3 | Very low | 31 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -72 | 115.3 | -176.5 | -14.6 | 30.2 | 0 | 0 | 0 | 111.2 | ||||
| 264 | C | 27 | Very low | 31.8 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 130.6 | 163.1 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | G262 D266 | G262-C264 PolarHBondContact O-N 3.46Å; C264-D266 PolarHBondContact O-N 3.49Å |
| 265 | W | 27.6 | Very low | 31.7 | Very low | 244 Ų | 244 | 143 Ų | 143 | 92% | 0.924 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 123.2 | 175.5 | -69.5 | 59.1 | 0 | 0 | 0 | 108 | ||
| 266 | D | 26.6 | Very low | 31.6 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 120.3 | 175 | -146.9 | -8.3 | 0 | 0 | 0 | 108.7 | C264 | C264-D266 PolarHBondContact O-N 3.49Š|
| 267 | Q | 30.4 | Very low | 31.8 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -92.8 | 100.1 | 168.2 | -85.9 | 171.9 | 47.2 | 0 | 0 | 106.8 | S269 | Q267-S269 PolarHBondContact O-N 3.49Š| ||
| 268 | S | 27.6 | Very low | 31.6 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -76.7 | 107.7 | 164.1 | -62.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 269 | S | 33.3 | Very low | 31.7 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -111.3 | 107.9 | 155.3 | -56.4 | 0 | 0 | 0 | 0 | 106.3 | Q267 | Q267-S269 PolarHBondContact O-N 3.49Š| ||
| 270 | E | 28.6 | Very low | 31.5 | Very low | 197 Ų | 197 | 137.7 Ų | 137.7 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -94.9 | 130.4 | 174 | -128 | 167.7 | 129.7 | 0 | 0 | 109.3 | ||||
| 271 | A | 30.2 | Very low | 31.6 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -98.5 | 153.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 272 | S | 30.6 | Very low | 32.5 | Very low | 126 Ų | 126 | 133 Ų | 133 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | -132.4 | 123.6 | 155.1 | -170.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 273 | A | 34 | Very low | 32.9 | Very low | 84 Ų | 84 | 135.6 Ų | 135.6 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | trans | -92 | -167.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 274 | P | 43.8 | Very low | 32.5 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | cis | -136.9 | 166 | -8.3 | 38.3 | -20.9 | 0 | 0 | 0 | 115 | ||||
| 275 | D | 27.3 | Very low | 32.5 | Very low | 160 Ų | 160 | 137 Ų | 137 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -158.7 | 140.5 | 139.6 | -160.7 | 25.8 | 0 | 0 | 0 | 114 | ||||
| 276 | A | 33.2 | Very low | 32.7 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | trans | 24.6 | 129.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 277 | G | 30.5 | Very low | 33 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | 129.2 | 99.1 | 122.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 278 | D | 30.4 | Very low | 33.1 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | trans | 90.2 | 140.1 | 141.6 | -130.2 | -0.8 | 0 | 0 | 0 | 121.5 | ||||
| 279 | H | 31.7 | Very low | 33.3 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | -128.2 | 118.9 | -148 | 173.9 | -65.2 | 0 | 0 | 0 | 109.9 | ||||
| 280 | V | 31.5 | Very low | 33.4 | Very low | 149 Ų | 149 | 133.3 Ų | 133.3 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | trans | -147.9 | 126.9 | 152.7 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 281 | Q | 34.6 | Very low | 33.8 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -118.5 | 178.8 | 175.1 | -135 | -157.4 | 17.9 | 0 | 0 | 109.6 | ||||
| 282 | P | 48.9 | Very low | 34 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | -108.3 | -160.9 | -113.2 | 38.7 | -20.3 | 0 | 0 | 0 | 113.9 | |||||
| 283 | P | 44.4 | Very low | 34.3 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | -146.3 | 150.7 | 110.9 | 33.2 | -15.2 | 0 | 0 | 0 | 117.3 | |||||
| 284 | E | 30 | Very low | 34.4 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | 45.5 | 140.4 | 139.1 | -56.4 | -156.7 | 172.3 | 0 | 0 | 121 | ||||
| 285 | G | 28.3 | Very low | 34.1 | Very low | 80 Ų | 80 | 150.3 Ų | 150.3 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | cis | 153.1 | 142.1 | 18.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 286 | G | 30.7 | Very low | 34.8 | Very low | 82 Ų | 82 | 154.6 Ų | 154.6 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | 161.9 | 79.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 287 | D | 32.8 | Very low | 34.9 | Very low | 142 Ų | 142 | 153.9 Ų | 153.9 | 76% | 0.759 | 83% | 0.831 | S | S | * | * | trans | -99.5 | 121.2 | 175.2 | -163 | 9.6 | 0 | 0 | 0 | 109.1 | ||||
| 288 | F | 32.2 | Very low | 35.2 | Very low | 196 Ų | 196 | 160.6 Ų | 160.6 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -154 | 88.3 | 162.7 | -76.8 | -64.8 | 0 | 0 | 0 | 113.2 | ||||
| 289 | T | 32.6 | Very low | 35.4 | Very low | 115 Ų | 115 | 162.1 Ų | 162.1 | 71% | 0.706 | 84% | 0.837 | S | S | * | * | trans | 38.1 | 121.1 | 133.4 | 60.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 290 | L | 34.6 | Very low | 35.7 | Very low | 179 Ų | 179 | 164.1 Ų | 164.1 | 94% | 0.937 | 84% | 0.844 | S | S | * | * | trans | -72.8 | 134.9 | 162.1 | -66.2 | 164.4 | 0 | 0 | 0 | 112.1 | ||||
| 291 | K | 38.2 | Very low | 36 | Very low | 191 Ų | 191 | 163.3 Ų | 163.3 | 83% | 0.83 | 84% | 0.841 | S | S | * | * | trans | -110.1 | 140 | 164.6 | -75 | -162.1 | 176.7 | -177.7 | 0 | 112 | ||||
| 292 | P | 32.9 | Very low | 36 | Very low | 127 Ų | 127 | 164.4 Ų | 164.4 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 128.8 | 178 | 33.1 | -30.4 | 0 | 0 | 0 | 111.2 | ||
| 293 | K | 38.2 | Very low | 35.6 | Very low | 216 Ų | 216 | 169.1 Ų | 169.1 | 94% | 0.939 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 130.1 | 172.3 | -89.4 | -173.5 | 177.3 | 173.5 | 0 | 112.5 | ||
| 294 | K | 36.5 | Very low | 35.3 | Very low | 203 Ų | 203 | 169.7 Ų | 169.7 | 88% | 0.883 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 150.3 | -178.8 | -78.5 | 173.6 | 170.7 | 175 | 0 | 114.6 | ||
| 295 | R | 37.7 | Very low | 35.4 | Very low | 249 Ų | 249 | 166.8 Ų | 166.8 | 94% | 0.94 | 86% | 0.856 | S | S | * | * | trans | -40.8 | 128.4 | 166.1 | -59.7 | 165.4 | 78.5 | -179.1 | 4.6 | 112.3 | ||||
| 296 | R | 40.1 | Very low | 35.5 | Very low | 249 Ų | 249 | 171.9 Ų | 171.9 | 94% | 0.94 | 86% | 0.858 | S | S | * | * | trans | -112.4 | 137.3 | 162.5 | -86.3 | -172.5 | 165.1 | -165.4 | -3.8 | 110.5 | ||||
| 297 | G | 35.5 | Very low | 35.6 | Very low | 72 Ų | 72 | 175.6 Ų | 175.6 | 74% | 0.742 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 161.3 | -171 | 0 | 0 | 0 | 0 | 0 | 115.1 | K299 | G297-K299 PolarHBondContact O-N 3.46Š|
| 298 | K | 36.7 | Very low | 35.4 | Very low | 218 Ų | 218 | 173.3 Ų | 173.3 | 95% | 0.948 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 119.1 | 178.3 | -64 | 173.5 | 176.9 | 177.6 | 0 | 110.8 | ||
| 299 | K | 35.8 | Very low | 35.4 | Very low | 203 Ų | 203 | 172.9 Ų | 172.9 | 88% | 0.883 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -94 | 125.6 | 159.4 | -78.2 | -173.9 | 174.2 | -174.5 | 0 | 108.7 | G297 | G297-K299 PolarHBondContact O-N 3.46Š|
| 300 | K | 37.3 | Very low | 35.3 | Very low | 199 Ų | 199 | 174.8 Ų | 174.8 | 87% | 0.865 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 139.1 | 168.2 | -71.6 | 179.1 | 175.7 | 179.7 | 0 | 108.9 | ||
| 301 | P | 38.3 | Very low | 35.4 | Very low | 131 Ų | 131 | 170.9 Ų | 170.9 | 85% | 0.851 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 127.2 | 164.7 | 29.5 | -28.8 | 0 | 0 | 0 | 110.5 | ||
| 302 | Q | 34.4 | Very low | 35.3 | Very low | 189 Ų | 189 | 167.9 Ų | 167.9 | 88% | 0.883 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 139.7 | 162.5 | -72.7 | 173.7 | -25 | 0 | 0 | 108.4 | ||
| 303 | K | 40.5 | Very low | 35.6 | Very low | 199 Ų | 199 | 167.7 Ų | 167.7 | 87% | 0.865 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 145.3 | 170.6 | -87 | 179.6 | 171.7 | -175.8 | 0 | 110 | ||
| 304 | P | 37.5 | Very low | 35.3 | Very low | 127 Ų | 127 | 166.3 Ų | 166.3 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 148 | 167.8 | 29.1 | -30.6 | 0 | 0 | 0 | 111.9 | ||
| 305 | V | 32.5 | Very low | 35.1 | Very low | 135 Ų | 135 | 164 Ų | 164 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 143.3 | 180 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 306 | E | 31.4 | Very low | 34.8 | Very low | 188 Ų | 188 | 160.1 Ų | 160.1 | 88% | 0.879 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 132.1 | 173.9 | -65.7 | 175.4 | 163.6 | 0 | 0 | 110.7 | ||
| 307 | I | 31.6 | Very low | 34.5 | Very low | 160 Ų | 160 | 154.9 Ų | 154.9 | 82% | 0.821 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 123.1 | 169.2 | -72 | 167.4 | 0 | 0 | 0 | 107.4 | ||
| 308 | A | 29.6 | Very low | 34.4 | Very low | 93 Ų | 93 | 157.6 Ų | 157.6 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 126.9 | 167 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 309 | E | 32.2 | Very low | 34.4 | Very low | 187 Ų | 187 | 156.2 Ų | 156.2 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -134.3 | 110 | 152.5 | -75.1 | -166.9 | 169.1 | 0 | 0 | 109.3 | ||||
| 310 | D | 29.7 | Very low | 34.6 | Very low | 155 Ų | 155 | 157 Ų | 157 | 83% | 0.829 | 83% | 0.827 | S | S | * | * | trans | 0.7 | 125 | 153.3 | -144.6 | -8.3 | 0 | 0 | 0 | 120.5 | ||||
| 311 | A | 37.8 | Very low | 34.5 | Very low | 97 Ų | 97 | 157.4 Ų | 157.4 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | trans | -155 | 116.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 312 | T | 35.5 | Very low | 34.4 | Very low | 129 Ų | 129 | 161.2 Ų | 161.2 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | -38.3 | 145.8 | 177.7 | 2.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 313 | P | 38.1 | Very low | 34.7 | Very low | 122 Ų | 122 | 162 Ų | 162 | 79% | 0.792 | 83% | 0.833 | S | S | * | * | trans | -94.6 | 133.8 | 172.4 | 35 | -28.1 | 0 | 0 | 0 | 112.3 | ||||
| 314 | E | 32.6 | Very low | 34.6 | Very low | 187 Ų | 187 | 161.8 Ų | 161.8 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -108.3 | 128 | 165.3 | -104.6 | -90.5 | 158.1 | 0 | 0 | 109.3 | ||||
| 315 | E | 32.4 | Very low | 35 | Very low | 155 Ų | 155 | 165.6 Ų | 165.6 | 72% | 0.724 | 84% | 0.835 | S | S | * | * | trans | -98.8 | 121 | -167.6 | -175.3 | -174.9 | -166.1 | 0 | 0 | 109.1 | ||||
| 316 | M | 32.3 | Very low | 35.7 | Very low | 167 Ų | 167 | 166 Ų | 166 | 82% | 0.823 | 83% | 0.833 | S | S | * | * | trans | -133 | 91.6 | 163.9 | -70 | -159.2 | 83.6 | 0 | 0 | 111.6 | ||||
| 317 | L | 32.3 | Very low | 36.1 | Very low | 139 Ų | 139 | 162.5 Ų | 162.5 | 73% | 0.728 | 83% | 0.829 | S | S | * | * | trans | -84.6 | 116.4 | 161.7 | -74.9 | 168.6 | 0 | 0 | 0 | 109.6 | ||||
| 318 | V | 35.1 | Very low | 36.8 | Very low | 129 Ų | 129 | 168.2 Ų | 168.2 | 78% | 0.782 | 85% | 0.848 | S | S | * | * | trans | -116.7 | 111.4 | 163.8 | 180 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 319 | K | 36.2 | Very low | 37.1 | Very low | 190 Ų | 190 | 172 Ų | 172 | 83% | 0.826 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 130.3 | 179.7 | -66.1 | 170.3 | 176.2 | 170.4 | 0 | 111.2 | ||
| 320 | K | 38.8 | Very low | 37.4 | Very low | 218 Ų | 218 | 171.2 Ų | 171.2 | 95% | 0.948 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 120 | 165.3 | -92.5 | -178.6 | 175.5 | 174.3 | 0 | 110.4 | ||
| 321 | K | 36.3 | Very low | 37.8 | Very low | 209 Ų | 209 | 172.1 Ų | 172.1 | 91% | 0.909 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -79 | 121.9 | -178 | -154.2 | 172.7 | -174.6 | 174.4 | 0 | 110.4 | ||
| 322 | K | 35.6 | Very low | 37.8 | Very low | 210 Ų | 210 | 176.5 Ų | 176.5 | 91% | 0.913 | 86% | 0.855 | S | S | * | * | trans | -84.5 | 114.7 | 170 | -168.4 | 173.8 | -176.2 | 175.5 | 0 | 108.1 | ||||
| 323 | K | 40.3 | Very low | 38 | Very low | 206 Ų | 206 | 179.5 Ų | 179.5 | 90% | 0.896 | 86% | 0.859 | S | S | * | * | trans | -94.9 | 113 | 175.7 | -154.5 | 176.9 | -175.9 | -178.8 | 0 | 109 | ||||
| 324 | K | 38.4 | Very low | 37.9 | Very low | 195 Ų | 195 | 183.3 Ų | 183.3 | 85% | 0.848 | 86% | 0.864 | S | S | * | * | trans | -72.4 | 140.1 | 164.9 | -130.1 | 179.8 | 178.8 | -172.5 | 0 | 107.5 | ||||
| 325 | K | 46.9 | Very low | 38.3 | Very low | 207 Ų | 207 | 183.1 Ų | 183.1 | 90% | 0.9 | 86% | 0.863 | S | S | * | * | trans | -112.8 | 124.6 | 170.8 | -165 | 179.7 | -177.9 | -174.7 | 0 | 106.9 | ||||
| 326 | D | 45.8 | Very low | 38.8 | Very low | 144 Ų | 144 | 185.2 Ų | 185.2 | 77% | 0.77 | 87% | 0.874 | S | S | * | * | trans | -72.7 | 159.3 | -178.3 | -77.5 | -48.1 | 0 | 0 | 0 | 113.3 | ||||
| 327 | S | 40.5 | Very low | 39.3 | Very low | 114 Ų | 114 | 186.8 Ų | 186.8 | 80% | 0.797 | 88% | 0.878 | S | S | * | * | trans | -53.3 | 141.1 | 170.7 | 52.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 328 | K | 45.7 | Very low | 40 | Very low | 280 Ų | 280 | 191.1 Ų | 191.1 | 100% | 1.217 | 89% | 0.891 | S | S | * | * | trans | -147.5 | 0 | 132.9 | -158.4 | 175.3 | -173.4 | 179.6 | 0 | 107.9 |
Retrieved 328 of 328 residues in 86.3 ms
(Link to these results)