| 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 | 41.3 | Very low | 66.1 | Low | 242 Ų | 242 | 145.6 Ų | 145.6 | 100% | 1.192 | 77% | 0.771 | S | S | * | * | 0 | 101.4 | 0 | -85.2 | -175.1 | 165.6 | 0 | 0 | 108.1 | |||||
| 2 | C | 42.3 | Very low | 68 | Low | 134 Ų | 134 | 142.2 Ų | 142.2 | 91% | 0.905 | 75% | 0.751 | S | S | * | * | trans | -89.4 | 108.7 | 172.7 | -69.4 | 0 | 0 | 0 | 0 | 108.3 | L4 | C2-L4 PolarHBondContact O-N 2.83Š| ||
| 3 | L | 50.8 | Low | 69.6 | Low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | trans | -64 | 118.9 | 167.5 | -74.6 | 157 | 0 | 0 | 0 | 107.7 | ||||
| 4 | L | 55.1 | Low | 71.1 | Confident | 160 Ų | 160 | 133.6 Ų | 133.6 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | trans | -60.3 | 126.9 | 170.6 | -74.9 | 165.3 | 0 | 0 | 0 | 108.2 | C2 Q6 | C2-L4 PolarHBondContact O-N 2.83Å; L4-Q6 PolarHBondContact O-N 2.74Å; L4-Q6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | P | 60.8 | Low | 72.4 | Confident | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | trans | -64.3 | 115.1 | 179.3 | 24.5 | -30.8 | 0 | 0 | 0 | 109 | ||||
| 6 | Q | 64.4 | Low | 73.7 | Confident | 181 Ų | 181 | 131.8 Ų | 131.8 | 85% | 0.846 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 133.6 | 171.1 | -78.5 | -176.1 | -22.6 | 0 | 0 | 108.9 | L4 Q8 | L4-Q6 PolarHBondContact O-N 2.74Å; L4-Q6 VanDerWaalsContact O-N 3.09Å; Q6-Q8 PolarHBondContact O-N 2.73Å |
| 7 | P | 76.4 | Confident | 74.8 | Confident | 89 Ų | 89 | 133.5 Ų | 133.5 | 58% | 0.578 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 137.1 | 179.3 | 26.8 | -33.6 | 0 | 0 | 0 | 110.5 | H11 | P7-H11 VanDerWaalsContact CB-CE1 3.48Å; P7-H11 WeakPolarHBondContact CB-CE1 3.02Å; P7-H11 VanDerWaalsContact CG-CE1 3.47Å; P7-H11 WeakPolarHBondContact CG-CE1 3.12Å |
| 8 | Q | 76.6 | Confident | 75.8 | Confident | 165 Ų | 165 | 136.4 Ų | 136.4 | 77% | 0.771 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 132.1 | -174.7 | -152.8 | 171.7 | 9.9 | 0 | 0 | 110.8 | Q6 | Q6-Q8 PolarHBondContact O-N 2.73Š|
| 9 | N | 84.6 | Confident | 76.7 | Confident | 133 Ų | 133 | 136.4 Ų | 136.4 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 57.3 | -167.9 | 176 | -55.9 | -22.9 | 0 | 0 | 0 | 115.2 | H11 | N9-H11 PolarHBondContact O-N 2.91Å; N9-H11 PolarHBondContact O-ND1 3.36Å |
| 10 | E | 87.4 | Confident | 77.4 | Confident | 125 Ų | 125 | 131.3 Ų | 131.3 | 58% | 0.584 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -78.2 | 55.9 | 175.5 | -61.8 | -167.2 | 163.5 | 0 | 0 | 112.9 | I12 E13 L14 | E10-I12 PolarHBondContact O-N 3.33Å; E10-I12 VanDerWaalsContact O-N 3.12Å; E10-E13 HydrophobicContact CB-CB 4.24Å; E10-E13 HydrophobicContact CB-CG 4.33Å; E10-E13 PolarHBondContact O-N 2.96Å; E10-L14 PolarHBondContact O-N 3.09Å |
| 11 | H | 86.9 | Confident | 78.2 | Confident | 86 Ų | 86 | 129.4 Ų | 129.4 | 40% | 0.398 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -54.7 | -30.7 | -178.5 | 66.2 | -75 | 0 | 0 | 0 | 113.9 | P7 N9 H15 | P7-H11 VanDerWaalsContact CB-CE1 3.48Å; P7-H11 WeakPolarHBondContact CB-CE1 3.02Å; P7-H11 VanDerWaalsContact CG-CE1 3.47Å; P7-H11 WeakPolarHBondContact CG-CE1 3.12Å; N9-H11 PolarHBondContact O-N 2.91Å; N9-H11 PolarHBondContact O-ND1 3.36Å; H11-H15 VanDerWaalsContact O-CB 3.28Å; H11-H15 WeakPolarHBondContact O-CB 3.46Å; H11-H15 PolarHBondContact O-N 3.09Å |
| 12 | I | 89.2 | Confident | 80.6 | Confident | 104 Ų | 104 | 126.1 Ų | 126.1 | 53% | 0.533 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.9 | -41.6 | 176.7 | -63.1 | 173.6 | 0 | 0 | 0 | 111.7 | E10 R16 | E10-I12 PolarHBondContact O-N 3.33Å; E10-I12 VanDerWaalsContact O-N 3.12Å; I12-R16 WeakPolarHBondContact O-CG 3.03Å; I12-R16 PolarHBondContact O-N 2.89Å |
| 13 | E | 89.3 | Confident | 83.1 | Confident | 93 Ų | 93 | 128.3 Ų | 128.3 | 44% | 0.435 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.8 | -42.6 | 176.2 | -65.9 | -150.2 | 165.1 | 0 | 0 | 111.1 | E10 H15 R16 K17 | E10-E13 HydrophobicContact CB-CB 4.24Å; E10-E13 HydrophobicContact CB-CG 4.33Å; E10-E13 PolarHBondContact O-N 2.96Å; E13-H15 VanDerWaalsContact C-N 3.32Å; E13-H15 PolarHBondContact O-N 3.3Å; E13-R16 PolarHBondContact O-N 2.94Å; E13-R16 VanDerWaalsContact O-N 3.16Å; E13-K17 WeakPolarHBondContact O-CG 3.13Å; E13-K17 PolarHBondContact O-N 2.97Å |
| 14 | L | 90.3 | Very high | 85.2 | Confident | 72 Ų | 72 | 122.3 Ų | 122.3 | 38% | 0.377 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.2 | -43.5 | 175 | -70.6 | 172.8 | 0 | 0 | 0 | 111.5 | E10 R16 K17 R18 | E10-L14 PolarHBondContact O-N 3.09Å; L14-R16 PolarHBondContact O-N 3.5Å; L14-K17 PolarHBondContact O-N 3.47Å; L14-R18 WeakPolarHBondContact O-CB 3.45Å; L14-R18 VanDerWaalsContact O-CG 3.31Å; L14-R18 WeakPolarHBondContact O-CG 3.47Å; L14-R18 PolarHBondContact O-N 3.12Å |
| 15 | H | 91.2 | Very high | 87 | Confident | 109 Ų | 109 | 118 Ų | 118 | 51% | 0.505 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.4 | -43.4 | 174.7 | -178.6 | -76.6 | 0 | 0 | 0 | 111.6 | H11 E13 K17 R18 H19 | H11-H15 VanDerWaalsContact O-CB 3.28Å; H11-H15 WeakPolarHBondContact O-CB 3.46Å; H11-H15 PolarHBondContact O-N 3.09Å; E13-H15 VanDerWaalsContact C-N 3.32Å; E13-H15 PolarHBondContact O-N 3.3Å; H15-K17 VanDerWaalsContact C-N 3.33Å; H15-K17 PolarHBondContact O-N 3.16Å; H15-R18 PolarHBondContact O-N 3.02Å; H15-H19 AromaticContact CD2-CD2 3.69Å; H15-H19 AromaticContact NE2-CD2 3.79Å; H15-H19 PolarHBondContact O-N 3.44Å |
| 16 | R | 92 | Very high | 88.7 | Confident | 129 Ų | 129 | 119.9 Ų | 119.9 | 49% | 0.487 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.3 | -35.1 | 175.5 | -77.6 | 178.5 | 174.1 | 177.4 | 1 | 113.1 | I12 E13 L14 G20 Q21 | I12-R16 WeakPolarHBondContact O-CG 3.03Å; I12-R16 PolarHBondContact O-N 2.89Å; E13-R16 PolarHBondContact O-N 2.94Å; E13-R16 VanDerWaalsContact O-N 3.16Å; L14-R16 PolarHBondContact O-N 3.5Å; R16-G20 WeakPolarHBondContact CA-O 3.48Å; R16-G20 CarbonylContact O-C 3.55Å; R16-G20 WeakPolarHBondContact O-CA 3.47Å; R16-G20 PolarHBondContact O-N 2.94Å; R16-Q21 HydrophobicContact CG-CG 4.14Å |
| 17 | K | 92.9 | Very high | 90.1 | Very high | 160 Ų | 160 | 115.8 Ų | 115.8 | 70% | 0.696 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70 | -39.6 | 175.6 | -71.2 | 174.8 | -172 | 172.8 | 0 | 111.8 | E13 L14 H15 | E13-K17 WeakPolarHBondContact O-CG 3.13Å; E13-K17 PolarHBondContact O-N 2.97Å; L14-K17 PolarHBondContact O-N 3.47Å; H15-K17 VanDerWaalsContact C-N 3.33Å; H15-K17 PolarHBondContact O-N 3.16Å |
| 18 | R | 93.3 | Very high | 91.1 | Very high | 186 Ų | 186 | 118.1 Ų | 118.1 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -78.7 | -45.2 | -178 | -69.9 | 176.3 | -173.8 | -179.9 | 1.5 | 113.8 | L14 H15 | L14-R18 WeakPolarHBondContact O-CB 3.45Å; L14-R18 VanDerWaalsContact O-CG 3.31Å; L14-R18 WeakPolarHBondContact O-CG 3.47Å; L14-R18 PolarHBondContact O-N 3.12Å; H15-R18 PolarHBondContact O-N 3.02Å |
| 19 | H | 93.1 | Very high | 92 | Very high | 136 Ų | 136 | 115.8 Ų | 115.8 | 63% | 0.63 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -114.5 | 0.9 | -170.9 | -57 | -67 | 0 | 0 | 0 | 113 | H15 | H15-H19 AromaticContact CD2-CD2 3.69Å; H15-H19 AromaticContact NE2-CD2 3.79Å; H15-H19 PolarHBondContact O-N 3.44Å |
| 20 | G | 90.8 | Very high | 92.6 | Very high | 34 Ų | 34 | 116.5 Ų | 116.5 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | trans | 73.8 | -167.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | R16 | R16-G20 WeakPolarHBondContact CA-O 3.48Å; R16-G20 CarbonylContact O-C 3.55Å; R16-G20 WeakPolarHBondContact O-CA 3.47Å; R16-G20 PolarHBondContact O-N 2.94Å | ||
| 21 | Q | 92.8 | Very high | 93 | Very high | 92 Ų | 92 | 115.2 Ų | 115.2 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -101 | 168.6 | 169.1 | -64.3 | -179 | 11.1 | 0 | 0 | 109.3 | R16 L23 H25 | R16-Q21 HydrophobicContact CG-CG 4.14Å; Q21-L23 PolarHBondContact O-N 3.06Å; Q21-H25 HydrophobicContact CB-CB 4.24Å; Q21-H25 PolarHBondContact OE1-CD2 2.97Å; Q21-H25 PolarHBondContact OE1-NE2 3.42Å |
| 22 | R | 92.7 | Very high | 93.4 | Very high | 173 Ų | 173 | 118.7 Ų | 118.7 | 65% | 0.653 | 53% | 0.532 | S | S | * | . | trans | -53.3 | 135.2 | 171.8 | -162.9 | -178.7 | 165.5 | 144.1 | 7.8 | 109.9 | D24 H25 | R22-D24 WeakPolarHBondContact CD-OD1 3.4Å; R22-D24 WeakPolarHBondContact CG-OD1 3.31Å; R22-D24 IonicContact NE-OD1 2.96Å; R22-D24 PolarHBondContact NE-OD1 3.25Å; R22-D24 IonicContact NE-OD2 3.5Å; R22-D24 IonicContact NH2-OD2 3.99Å; R22-D24 PolarHBondContact O-N 2.88Å; R22-D24 VanDerWaalsContact O-N 3.09Å; R22-H25 WeakPolarHBondContact O-CB 3.28Å; R22-H25 PolarHBondContact O-N 3.46Å | ||
| 23 | L | 93.5 | Very high | 93.7 | Very high | 180 Ų | 180 | 118.9 Ų | 118.9 | 94% | 0.942 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33.8 | -173.2 | -63.7 | 173 | 0 | 0 | 0 | 113.2 | Q21 | Q21-L23 PolarHBondContact O-N 3.06Š|
| 24 | D | 95.4 | Very high | 94.1 | Very high | 41 Ų | 41 | 118.7 Ų | 118.7 | 22% | 0.219 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 6 | 179.9 | 66 | -8.9 | 0 | 0 | 0 | 114.4 | R22 Q26 E27 R28 | R22-D24 WeakPolarHBondContact CD-OD1 3.4Å; R22-D24 WeakPolarHBondContact CG-OD1 3.31Å; R22-D24 IonicContact NE-OD1 2.96Å; R22-D24 PolarHBondContact NE-OD1 3.25Å; R22-D24 IonicContact NE-OD2 3.5Å; R22-D24 IonicContact NH2-OD2 3.99Å; R22-D24 PolarHBondContact O-N 2.88Å; R22-D24 VanDerWaalsContact O-N 3.09Å; D24-Q26 PolarHBondContact O-N 3.36Å; D24-E27 PolarHBondContact O-N 2.92Å; D24-R28 VanDerWaalsContact CG-NE 3.34Å; D24-R28 WeakPolarHBondContact O-CB 3.38Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 3.45Å; D24-R28 IonicContact OD1-NE 3.73Å; D24-R28 IonicContact OD2-CZ 3.06Å; D24-R28 IonicContact OD2-NE 2.73Å; D24-R28 PolarHBondContact OD2-NE 2.82Å; D24-R28 IonicContact OD2-NH2 2.74Å; D24-R28 PolarHBondContact OD2-NH2 3.07Å |
| 25 | H | 94.3 | Very high | 94.4 | Very high | 70 Ų | 70 | 122.5 Ų | 122.5 | 32% | 0.324 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60 | -49 | -174.6 | 179 | 85.5 | 0 | 0 | 0 | 112.4 | Q21 R22 R28 K29 | Q21-H25 HydrophobicContact CB-CB 4.24Å; Q21-H25 PolarHBondContact OE1-CD2 2.97Å; Q21-H25 PolarHBondContact OE1-NE2 3.42Å; R22-H25 WeakPolarHBondContact O-CB 3.28Å; R22-H25 PolarHBondContact O-N 3.46Å; H25-R28 PolarHBondContact O-N 3.23Å; H25-K29 WeakPolarHBondContact O-CB 3.32Å; H25-K29 PolarHBondContact O-N 3.37Å |
| 26 | Q | 94.8 | Very high | 94.5 | Very high | 159 Ų | 159 | 121.4 Ų | 121.4 | 74% | 0.743 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | -177.3 | -64.8 | -178 | -2.2 | 0 | 0 | 111.1 | D24 K29 R30 | D24-Q26 PolarHBondContact O-N 3.36Å; Q26-K29 PolarHBondContact O-N 2.93Å; Q26-R30 WeakPolarHBondContact O-CB 3.44Å; Q26-R30 PolarHBondContact O-N 3.37Å |
| 27 | E | 95.1 | Very high | 94.7 | Very high | 96 Ų | 96 | 118 Ų | 118 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 176.5 | -65.4 | -151.1 | 142.5 | 0 | 0 | 112.5 | D24 K31 | D24-E27 PolarHBondContact O-N 2.92Å; E27-K31 WeakPolarHBondContact O-CB 3.33Å; E27-K31 WeakPolarHBondContact O-CG 3.39Å; E27-K31 PolarHBondContact O-N 2.91Å; E27-K31 IonicContact OE2-NZ 3.96Å |
| 28 | R | 96.1 | Very high | 94.8 | Very high | 138 Ų | 138 | 117.5 Ų | 117.5 | 52% | 0.521 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.1 | -74.6 | -177.6 | -174.6 | -150.8 | 2.8 | 111.4 | D24 H25 K31 K32 | D24-R28 VanDerWaalsContact CG-NE 3.34Å; D24-R28 WeakPolarHBondContact O-CB 3.38Å; D24-R28 WeakPolarHBondContact O-CG 3.39Å; D24-R28 PolarHBondContact O-N 3.45Å; D24-R28 IonicContact OD1-NE 3.73Å; D24-R28 IonicContact OD2-CZ 3.06Å; D24-R28 IonicContact OD2-NE 2.73Å; D24-R28 PolarHBondContact OD2-NE 2.82Å; D24-R28 IonicContact OD2-NH2 2.74Å; D24-R28 PolarHBondContact OD2-NH2 3.07Å; H25-R28 PolarHBondContact O-N 3.23Å; R28-K31 PolarHBondContact O-N 3.15Å; R28-K32 WeakPolarHBondContact O-CB 3.39Å; R28-K32 PolarHBondContact O-N 2.95Å |
| 29 | K | 96.3 | Very high | 94.9 | Very high | 115 Ų | 115 | 112.9 Ų | 112.9 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 178.4 | -172.5 | 178.5 | 175.6 | -174 | 0 | 111.1 | H25 Q26 K31 K32 E33 | H25-K29 WeakPolarHBondContact O-CB 3.32Å; H25-K29 PolarHBondContact O-N 3.37Å; Q26-K29 PolarHBondContact O-N 2.93Å; K29-K31 PolarHBondContact O-N 3.44Å; K29-K32 WeakPolarHBondContact O-CB 3.33Å; K29-K32 PolarHBondContact O-N 3.05Å; K29-K32 VanDerWaalsContact O-N 3.14Å; K29-E33 WeakPolarHBondContact CE-OE1 3.49Å; K29-E33 WeakPolarHBondContact O-CG 3.22Å; K29-E33 PolarHBondContact O-N 3.34Å |
| 30 | R | 96.4 | Very high | 94.9 | Very high | 149 Ų | 149 | 110.1 Ų | 110.1 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.4 | -48.9 | 175.2 | -174.6 | -170.7 | 70.9 | -156.8 | -5.2 | 112 | Q26 K32 E33 S34 | Q26-R30 WeakPolarHBondContact O-CB 3.44Å; Q26-R30 PolarHBondContact O-N 3.37Å; R30-K32 VanDerWaalsContact C-N 3.3Å; R30-K32 PolarHBondContact O-N 3.46Å; R30-E33 PolarHBondContact O-N 3.41Å; R30-S34 WeakPolarHBondContact O-CB 3.47Å; R30-S34 PolarHBondContact O-N 3.14Å |
| 31 | K | 96.7 | Very high | 95 | Very high | 97 Ų | 97 | 111.8 Ų | 111.8 | 42% | 0.422 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -35.8 | 178.3 | -75 | 173.3 | 179.4 | 167.4 | 0 | 111.8 | E27 R28 K29 R35 | E27-K31 WeakPolarHBondContact O-CB 3.33Å; E27-K31 WeakPolarHBondContact O-CG 3.39Å; E27-K31 PolarHBondContact O-N 2.91Å; E27-K31 IonicContact OE2-NZ 3.96Å; R28-K31 PolarHBondContact O-N 3.15Å; K29-K31 PolarHBondContact O-N 3.44Å; K31-R35 VanDerWaalsContact O-CG 3.22Å; K31-R35 WeakPolarHBondContact O-CG 3.34Å; K31-R35 PolarHBondContact O-N 3.42Å; K31-R35 VanDerWaalsContact O-N 3.15Å |
| 32 | K | 96.1 | Very high | 95.1 | Very high | 159 Ų | 159 | 112 Ų | 112 | 69% | 0.691 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.1 | -48.1 | 177.6 | -174.9 | 177.4 | 179.6 | -178.5 | 0 | 112 | R28 K29 R30 S34 R35 E36 | R28-K32 WeakPolarHBondContact O-CB 3.39Å; R28-K32 PolarHBondContact O-N 2.95Å; K29-K32 WeakPolarHBondContact O-CB 3.33Å; K29-K32 PolarHBondContact O-N 3.05Å; K29-K32 VanDerWaalsContact O-N 3.14Å; R30-K32 VanDerWaalsContact C-N 3.3Å; R30-K32 PolarHBondContact O-N 3.46Å; K32-S34 VanDerWaalsContact C-N 3.34Å; K32-S34 PolarHBondContact O-N 2.87Å; K32-R35 PolarHBondContact O-N 3.11Å; K32-E36 PolarHBondContact O-N 3.11Å; K32-E36 VanDerWaalsContact O-N 3.11Å |
| 33 | E | 95.8 | Very high | 95.2 | Very high | 109 Ų | 109 | 108.1 Ų | 108.1 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 178.1 | -71.3 | 170.7 | -178.7 | 0 | 0 | 111.4 | K29 R30 R35 E36 | K29-E33 WeakPolarHBondContact CE-OE1 3.49Å; K29-E33 WeakPolarHBondContact O-CG 3.22Å; K29-E33 PolarHBondContact O-N 3.34Å; R30-E33 PolarHBondContact O-N 3.41Å; E33-R35 PolarHBondContact O-N 3.2Å; E33-E36 VanDerWaalsContact O-CB 3.3Å; E33-E36 WeakPolarHBondContact O-CB 3.13Å; E33-E36 PolarHBondContact O-N 3.47Å |
| 34 | S | 96 | Very high | 95.2 | Very high | 89 Ų | 89 | 101.1 Ų | 101.1 | 62% | 0.622 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.9 | -43.2 | 175.4 | 174.5 | 0 | 0 | 0 | 0 | 112.9 | R30 K32 E36 | R30-S34 WeakPolarHBondContact O-CB 3.47Å; R30-S34 PolarHBondContact O-N 3.14Å; K32-S34 VanDerWaalsContact C-N 3.34Å; K32-S34 PolarHBondContact O-N 2.87Å; S34-E36 VanDerWaalsContact C-N 3.28Å; S34-E36 PolarHBondContact O-N 3.29Å |
| 35 | R | 96.6 | Very high | 95.1 | Very high | 152 Ų | 152 | 109.4 Ų | 109.4 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -73 | -18.9 | 179.1 | -69.9 | 173.2 | -160 | -177.3 | 2.9 | 113.8 | K31 K32 E33 A37 H38 E39 | K31-R35 VanDerWaalsContact O-CG 3.22Å; K31-R35 WeakPolarHBondContact O-CG 3.34Å; K31-R35 PolarHBondContact O-N 3.42Å; K31-R35 VanDerWaalsContact O-N 3.15Å; K32-R35 PolarHBondContact O-N 3.11Å; E33-R35 PolarHBondContact O-N 3.2Å; R35-A37 PolarHBondContact O-N 2.94Å; R35-H38 PolarHBondContact O-N 3.4Å; R35-H38 VanDerWaalsContact O-N 3.11Å; R35-E39 PolarHBondContact O-N 3.27Å |
| 36 | E | 94.8 | Very high | 95.2 | Very high | 85 Ų | 85 | 112.8 Ų | 112.8 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -33.8 | -170.8 | -158.7 | -162.9 | 158.4 | 0 | 0 | 112.6 | K32 E33 S34 R40 | K32-E36 PolarHBondContact O-N 3.11Å; K32-E36 VanDerWaalsContact O-N 3.11Å; E33-E36 VanDerWaalsContact O-CB 3.3Å; E33-E36 WeakPolarHBondContact O-CB 3.13Å; E33-E36 PolarHBondContact O-N 3.47Å; S34-E36 VanDerWaalsContact C-N 3.28Å; S34-E36 PolarHBondContact O-N 3.29Å; E36-R40 VanDerWaalsContact O-CB 3.24Å; E36-R40 WeakPolarHBondContact O-CB 3.3Å; E36-R40 WeakPolarHBondContact O-CG 3.11Å; E36-R40 PolarHBondContact O-N 3Å; E36-R40 PolarHBondContact O-NE 3.48Å; E36-R40 IonicContact OE1-CZ 3.44Å; E36-R40 IonicContact OE1-NE 3.57Å; E36-R40 IonicContact OE1-NH1 3.77Å; E36-R40 IonicContact OE1-NH2 2.72Å; E36-R40 IonicContact OE2-CZ 3.9Å; E36-R40 IonicContact OE2-NH2 3.96Å; E36-R40 PolarHBondContact OE2-NH2 2.97Å |
| 37 | A | 94.6 | Very high | 95.2 | Very high | 58 Ų | 58 | 107.9 Ų | 107.9 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R35 R40 S41 | R35-A37 PolarHBondContact O-N 2.94Å; A37-R40 PolarHBondContact O-N 3.38Å; A37-S41 PolarHBondContact O-N 3.13Å; A37-S41 VanDerWaalsContact O-N 3.15Å |
| 38 | H | 96.2 | Very high | 95.2 | Very high | 149 Ų | 149 | 110.4 Ų | 110.4 | 69% | 0.69 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69 | -44.4 | 177.1 | -64.8 | -66.5 | 0 | 0 | 0 | 111.7 | R35 R40 S41 H42 | R35-H38 PolarHBondContact O-N 3.4Å; R35-H38 VanDerWaalsContact O-N 3.11Å; H38-R40 VanDerWaalsContact C-N 3.27Å; H38-R40 PolarHBondContact O-N 3.49Å; H38-S41 PolarHBondContact O-N 2.88Å; H38-H42 WeakPolarHBondContact O-CB 3.43Å; H38-H42 PolarHBondContact O-N 3.38Å |
| 39 | E | 95.1 | Very high | 95.2 | Very high | 89 Ų | 89 | 105.9 Ų | 105.9 | 42% | 0.416 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 174.6 | -78.9 | -163.6 | -169.5 | 0 | 0 | 111.7 | R35 H42 K43 | R35-E39 PolarHBondContact O-N 3.27Å; E39-H42 PolarHBondContact O-N 3.37Å; E39-K43 VanDerWaalsContact O-CB 3.28Å; E39-K43 WeakPolarHBondContact O-CB 3.25Å; E39-K43 WeakPolarHBondContact O-CG 3.4Å; E39-K43 PolarHBondContact O-N 3.36Å; E39-K43 IonicContact OE2-NZ 2.87Å; E39-K43 PolarHBondContact OE2-NZ 2.81Å |
| 40 | R | 92.9 | Very high | 95.3 | Very high | 78 Ų | 78 | 106.6 Ų | 106.6 | 29% | 0.294 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 178.4 | -81.6 | 179.4 | -79.6 | -172.3 | -8.3 | 112.2 | E36 A37 H38 A44 Y55 | E36-R40 VanDerWaalsContact O-CB 3.24Å; E36-R40 WeakPolarHBondContact O-CB 3.3Å; E36-R40 WeakPolarHBondContact O-CG 3.11Å; E36-R40 PolarHBondContact O-N 3Å; E36-R40 PolarHBondContact O-NE 3.48Å; E36-R40 IonicContact OE1-CZ 3.44Å; E36-R40 IonicContact OE1-NE 3.57Å; E36-R40 IonicContact OE1-NH1 3.77Å; E36-R40 IonicContact OE1-NH2 2.72Å; E36-R40 IonicContact OE2-CZ 3.9Å; E36-R40 IonicContact OE2-NH2 3.96Å; E36-R40 PolarHBondContact OE2-NH2 2.97Å; A37-R40 PolarHBondContact O-N 3.38Å; H38-R40 VanDerWaalsContact C-N 3.27Å; H38-R40 PolarHBondContact O-N 3.49Å; R40-A44 WeakPolarHBondContact O-CB 3.36Å; R40-A44 PolarHBondContact O-N 2.92Å; R40-A44 VanDerWaalsContact O-N 3.07Å; R40-Y55 WeakPolarHBondContact CA-OH 3.42Å; R40-Y55 PolarHBondContact O-OH 2.83Å |
| 41 | S | 93.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 107.1 Ų | 107.1 | 48% | 0.483 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 176 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | A37 H38 A44 R45 | A37-S41 PolarHBondContact O-N 3.13Å; A37-S41 VanDerWaalsContact O-N 3.15Å; H38-S41 PolarHBondContact O-N 2.88Å; S41-A44 WeakPolarHBondContact O-CB 3.21Å; S41-A44 PolarHBondContact O-N 3.43Å; S41-R45 WeakPolarHBondContact O-CG 3.28Å; S41-R45 PolarHBondContact O-N 3.03Å; S41-R45 VanDerWaalsContact O-N 3.1Å |
| 42 | H | 95.3 | Very high | 95.3 | Very high | 98 Ų | 98 | 103.1 Ų | 103.1 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 178 | -179.2 | -85.9 | 0 | 0 | 0 | 112.4 | H38 E39 A44 R45 K46 | H38-H42 WeakPolarHBondContact O-CB 3.43Å; H38-H42 PolarHBondContact O-N 3.38Å; E39-H42 PolarHBondContact O-N 3.37Å; H42-A44 VanDerWaalsContact C-N 3.29Å; H42-A44 PolarHBondContact O-N 2.89Å; H42-R45 PolarHBondContact O-N 3.24Å; H42-R45 VanDerWaalsContact O-N 3.13Å; H42-K46 WeakPolarHBondContact CE1-CD 3.24Å; H42-K46 VanDerWaalsContact CE1-CE 3.42Å; H42-K46 WeakPolarHBondContact CE1-CE 3.37Å; H42-K46 WeakPolarHBondContact NE2-CE 3.28Å; H42-K46 PolarHBondContact NE2-NZ 3.27Å; H42-K46 WeakPolarHBondContact O-CB 3.16Å; H42-K46 PolarHBondContact O-N 3.35Å |
| 43 | K | 93.9 | Very high | 95.3 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 40% | 0.396 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.9 | -43.4 | 173.7 | -75.6 | 170.1 | -173.1 | 161.6 | 0 | 110.9 | E39 R45 K46 M47 | E39-K43 VanDerWaalsContact O-CB 3.28Å; E39-K43 WeakPolarHBondContact O-CB 3.25Å; E39-K43 WeakPolarHBondContact O-CG 3.4Å; E39-K43 PolarHBondContact O-N 3.36Å; E39-K43 IonicContact OE2-NZ 2.87Å; E39-K43 PolarHBondContact OE2-NZ 2.81Å; K43-R45 VanDerWaalsContact C-N 3.31Å; K43-R45 PolarHBondContact O-N 3.15Å; K43-K46 PolarHBondContact O-N 3.37Å; K43-M47 HydrophobicContact CB-CE 3.97Å; K43-M47 VanDerWaalsContact O-CB 3.3Å; K43-M47 WeakPolarHBondContact O-CB 3.47Å; K43-M47 WeakPolarHBondContact O-CE 3.3Å; K43-M47 VanDerWaalsContact O-CG 3.25Å; K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 2.97Å |
| 44 | A | 93.5 | Very high | 95.3 | Very high | 32 Ų | 32 | 103 Ų | 103 | 26% | 0.264 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R40 S41 H42 Y55 | R40-A44 WeakPolarHBondContact O-CB 3.36Å; R40-A44 PolarHBondContact O-N 2.92Å; R40-A44 VanDerWaalsContact O-N 3.07Å; S41-A44 WeakPolarHBondContact O-CB 3.21Å; S41-A44 PolarHBondContact O-N 3.43Å; H42-A44 VanDerWaalsContact C-N 3.29Å; H42-A44 PolarHBondContact O-N 2.89Å; A44-Y55 HydrophobicContact CB-CD1 4.48Å; A44-Y55 HydrophobicContact CB-CE1 3.75Å |
| 45 | R | 93.3 | Very high | 95.4 | Very high | 216 Ų | 216 | 100.3 Ų | 100.3 | 82% | 0.815 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -79.8 | -35.5 | -178.1 | -66.9 | 176.6 | 74.1 | -179.6 | 3.8 | 113.3 | S41 H42 K43 | S41-R45 WeakPolarHBondContact O-CG 3.28Å; S41-R45 PolarHBondContact O-N 3.03Å; S41-R45 VanDerWaalsContact O-N 3.1Å; H42-R45 PolarHBondContact O-N 3.24Å; H42-R45 VanDerWaalsContact O-N 3.13Å; K43-R45 VanDerWaalsContact C-N 3.31Å; K43-R45 PolarHBondContact O-N 3.15Å |
| 46 | K | 95.8 | Very high | 95.3 | Very high | 140 Ų | 140 | 97.8 Ų | 97.8 | 61% | 0.609 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -91.1 | -24.2 | -173.5 | -72.7 | -150.4 | -178.7 | -178.5 | 0 | 114.5 | H42 K43 | H42-K46 WeakPolarHBondContact CE1-CD 3.24Å; H42-K46 VanDerWaalsContact CE1-CE 3.42Å; H42-K46 WeakPolarHBondContact CE1-CE 3.37Å; H42-K46 WeakPolarHBondContact NE2-CE 3.28Å; H42-K46 PolarHBondContact NE2-NZ 3.27Å; H42-K46 WeakPolarHBondContact O-CB 3.16Å; H42-K46 PolarHBondContact O-N 3.35Å; K43-K46 PolarHBondContact O-N 3.37Å |
| 47 | M | 94.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 101.3 Ų | 101.3 | 28% | 0.276 | 50% | 0.495 | S | S | . | . | trans | -70.3 | 135.9 | 179.1 | -75.1 | -167.3 | -67.3 | 0 | 0 | 110.5 | K43 K51 A52 Y55 | K43-M47 HydrophobicContact CB-CE 3.97Å; K43-M47 VanDerWaalsContact O-CB 3.3Å; K43-M47 WeakPolarHBondContact O-CB 3.47Å; K43-M47 WeakPolarHBondContact O-CE 3.3Å; K43-M47 VanDerWaalsContact O-CG 3.25Å; K43-M47 WeakPolarHBondContact O-CG 3.47Å; K43-M47 PolarHBondContact O-N 2.97Å; M47-K51 HydrophobicContact SD-CB 4.41Å; M47-A52 HydrophobicContact CB-CB 4Å; M47-A52 VanDerWaalsContact O-CB 3.28Å; M47-A52 WeakPolarHBondContact O-CB 3.45Å; M47-Y55 HydrophobicContact CE-CD1 3.35Å; M47-Y55 HydrophobicContact CE-CD2 3.51Å; M47-Y55 HydrophobicContact CE-CE1 3.96Å; M47-Y55 HydrophobicContact CE-CE2 4.1Å; M47-Y55 HydrophobicContact CE-CG 3.07Å | ||
| 48 | I | 95.5 | Very high | 95.6 | Very high | 149 Ų | 149 | 103.8 Ų | 103.8 | 76% | 0.764 | 50% | 0.497 | S | S | * | . | trans | -122.1 | 153.1 | -178.6 | -58.2 | 171.1 | 0 | 0 | 0 | 109.2 | ||||
| 49 | G | 96.5 | Very high | 95.5 | Very high | 44 Ų | 44 | 100 Ų | 100 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | 69.2 | -140.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | K51 A52 K53 | G49-K51 VanDerWaalsContact C-N 3.31Å; G49-K51 PolarHBondContact O-N 3.05Å; G49-A52 WeakPolarHBondContact O-CB 3.37Å; G49-A52 PolarHBondContact O-N 3.47Å; G49-K53 PolarHBondContact O-N 3.23Å |
| 50 | L | 97.1 | Very high | 95.6 | Very high | 130 Ų | 130 | 101.6 Ų | 101.6 | 68% | 0.681 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -34.1 | -173.7 | -170.9 | 134.2 | 0 | 0 | 0 | 112.7 | A52 K53 L54 | L50-A52 VanDerWaalsContact C-N 3.35Å; L50-A52 PolarHBondContact O-N 3.25Å; L50-K53 PolarHBondContact O-N 3.45Å; L50-L54 HydrophobicContact CD2-CD1 3.57Å; L50-L54 HydrophobicContact CD2-CG 4.09Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.26Å |
| 51 | K | 95.9 | Very high | 95.9 | Very high | 159 Ų | 159 | 100.9 Ų | 100.9 | 69% | 0.691 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 176.6 | -69 | -177.3 | 178.4 | 178.1 | 0 | 111.8 | M47 G49 L54 Y55 | M47-K51 HydrophobicContact SD-CB 4.41Å; G49-K51 VanDerWaalsContact C-N 3.31Å; G49-K51 PolarHBondContact O-N 3.05Å; K51-L54 PolarHBondContact O-N 2.93Å; K51-Y55 WeakPolarHBondContact O-CB 3.5Å; K51-Y55 PolarHBondContact O-N 2.93Å |
| 52 | A | 97.1 | Very high | 96 | Very high | 13 Ų | 13 | 100.4 Ų | 100.4 | 11% | 0.107 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M47 G49 L50 L54 Y55 H56 | M47-A52 HydrophobicContact CB-CB 4Å; M47-A52 VanDerWaalsContact O-CB 3.28Å; M47-A52 WeakPolarHBondContact O-CB 3.45Å; G49-A52 WeakPolarHBondContact O-CB 3.37Å; G49-A52 PolarHBondContact O-N 3.47Å; L50-A52 VanDerWaalsContact C-N 3.35Å; L50-A52 PolarHBondContact O-N 3.25Å; A52-L54 PolarHBondContact O-N 3.07Å; A52-Y55 PolarHBondContact O-N 3.23Å; A52-H56 PolarHBondContact O-CD2 3.03Å; A52-H56 PolarHBondContact O-N 3.1Å |
| 53 | K | 96.8 | Very high | 96.1 | Very high | 163 Ų | 163 | 102.1 Ų | 102.1 | 71% | 0.709 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.5 | -45.7 | 178.5 | -68.3 | -177.6 | 178.1 | -177.6 | 0 | 112.1 | G49 L50 H56 K57 | G49-K53 PolarHBondContact O-N 3.23Å; L50-K53 PolarHBondContact O-N 3.45Å; K53-H56 PolarHBondContact O-N 3.28Å; K53-K57 WeakPolarHBondContact O-CB 3.4Å; K53-K57 PolarHBondContact O-N 3.48Å |
| 54 | L | 97.1 | Very high | 96.3 | Very high | 103 Ų | 103 | 101 Ų | 101 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.7 | -72.4 | 177.1 | 0 | 0 | 0 | 111.8 | L50 K51 A52 K57 Q58 | L50-L54 HydrophobicContact CD2-CD1 3.57Å; L50-L54 HydrophobicContact CD2-CG 4.09Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.26Å; K51-L54 PolarHBondContact O-N 2.93Å; A52-L54 PolarHBondContact O-N 3.07Å; L54-K57 WeakPolarHBondContact O-CB 3.41Å; L54-K57 PolarHBondContact O-N 2.97Å; L54-Q58 PolarHBondContact O-N 3.5Å |
| 55 | Y | 96.6 | Very high | 96.4 | Very high | 33 Ų | 33 | 105.7 Ų | 105.7 | 13% | 0.129 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 178 | 178.9 | -107.9 | 0 | 0 | 0 | 112.5 | R40 A44 M47 K51 A52 K57 Q58 R59 | R40-Y55 WeakPolarHBondContact CA-OH 3.42Å; R40-Y55 PolarHBondContact O-OH 2.83Å; A44-Y55 HydrophobicContact CB-CD1 4.48Å; A44-Y55 HydrophobicContact CB-CE1 3.75Å; M47-Y55 HydrophobicContact CE-CD1 3.35Å; M47-Y55 HydrophobicContact CE-CD2 3.51Å; M47-Y55 HydrophobicContact CE-CE1 3.96Å; M47-Y55 HydrophobicContact CE-CE2 4.1Å; M47-Y55 HydrophobicContact CE-CG 3.07Å; K51-Y55 WeakPolarHBondContact O-CB 3.5Å; K51-Y55 PolarHBondContact O-N 2.93Å; A52-Y55 PolarHBondContact O-N 3.23Å; Y55-K57 VanDerWaalsContact C-N 3.32Å; Y55-K57 PolarHBondContact O-N 3.42Å; Y55-Q58 PolarHBondContact O-N 3.29Å; Y55-R59 HydrophobicContact CD1-CG 4.28Å; Y55-R59 HydrophobicContact CD2-CG 4.4Å; Y55-R59 HydrophobicContact CE1-CG 4Å; Y55-R59 HydrophobicContact CE2-CG 4.12Å; Y55-R59 HydrophobicContact CG-CG 4.49Å; Y55-R59 VanDerWaalsContact O-CG 3.3Å; Y55-R59 WeakPolarHBondContact O-CG 3.36Å; Y55-R59 PolarHBondContact O-N 2.63Å |
| 56 | H | 95.8 | Very high | 96.6 | Very high | 98 Ų | 98 | 100.9 Ų | 100.9 | 45% | 0.454 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 177.1 | -70 | -57.1 | 0 | 0 | 0 | 112.4 | A52 K53 R59 H60 | A52-H56 PolarHBondContact O-CD2 3.03Å; A52-H56 PolarHBondContact O-N 3.1Å; K53-H56 PolarHBondContact O-N 3.28Å; H56-R59 PolarHBondContact O-N 3.05Å; H56-H60 WeakPolarHBondContact O-CB 3.3Å; H56-H60 PolarHBondContact O-N 3.03Å |
| 57 | K | 97.3 | Very high | 96.7 | Very high | 160 Ų | 160 | 101.5 Ų | 101.5 | 70% | 0.696 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -46.4 | 174.5 | -173.3 | 178.9 | -179.2 | -178.5 | 0 | 111.5 | K53 L54 Y55 H60 S61 | K53-K57 WeakPolarHBondContact O-CB 3.4Å; K53-K57 PolarHBondContact O-N 3.48Å; L54-K57 WeakPolarHBondContact O-CB 3.41Å; L54-K57 PolarHBondContact O-N 2.97Å; Y55-K57 VanDerWaalsContact C-N 3.32Å; Y55-K57 PolarHBondContact O-N 3.42Å; K57-H60 WeakPolarHBondContact O-CB 3.37Å; K57-H60 PolarHBondContact O-N 2.9Å; K57-S61 PolarHBondContact O-N 3.37Å; K57-S61 VanDerWaalsContact O-N 3.1Å; K57-S61 PolarHBondContact O-OG 3.37Å |
| 58 | Q | 96.7 | Very high | 96.8 | Very high | 109 Ų | 109 | 105.3 Ų | 105.3 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 176.3 | -177.3 | -177.3 | -6.7 | 0 | 0 | 111.8 | L54 Y55 H60 S61 E62 | L54-Q58 PolarHBondContact O-N 3.5Å; Y55-Q58 PolarHBondContact O-N 3.29Å; Q58-H60 VanDerWaalsContact C-N 3.27Å; Q58-H60 PolarHBondContact O-N 3.09Å; Q58-S61 WeakPolarHBondContact CA-OG 3.44Å; Q58-S61 PolarHBondContact O-N 2.89Å; Q58-S61 PolarHBondContact O-OG 3.1Å; Q58-E62 WeakPolarHBondContact CG-OE1 3.48Å; Q58-E62 PolarHBondContact NE2-OE1 3.22Å; Q58-E62 WeakPolarHBondContact O-CG 3.36Å; Q58-E62 PolarHBondContact O-N 3.31Å |
| 59 | R | 95.7 | Very high | 96.9 | Very high | 70 Ų | 70 | 100.9 Ų | 100.9 | 26% | 0.264 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.8 | -33.8 | 177.8 | -67.2 | -60.6 | -63.8 | 168.1 | -4.8 | 112.4 | Y55 H56 E62 K63 | Y55-R59 HydrophobicContact CD1-CG 4.28Å; Y55-R59 HydrophobicContact CD2-CG 4.4Å; Y55-R59 HydrophobicContact CE1-CG 4Å; Y55-R59 HydrophobicContact CE2-CG 4.12Å; Y55-R59 HydrophobicContact CG-CG 4.49Å; Y55-R59 VanDerWaalsContact O-CG 3.3Å; Y55-R59 WeakPolarHBondContact O-CG 3.36Å; Y55-R59 PolarHBondContact O-N 2.63Å; H56-R59 PolarHBondContact O-N 3.05Å; R59-E62 WeakPolarHBondContact CD-OE2 3.34Å; R59-E62 IonicContact CZ-OE2 3.62Å; R59-E62 IonicContact NE-OE2 3.54Å; R59-E62 IonicContact NH1-OE2 3.56Å; R59-E62 PolarHBondContact NH1-OE2 3.34Å; R59-K63 WeakPolarHBondContact O-CG 3.49Å; R59-K63 PolarHBondContact O-N 3.35Å; R59-K63 VanDerWaalsContact O-N 3.09Å |
| 60 | H | 96.9 | Very high | 96.8 | Very high | 123 Ų | 123 | 103.4 Ų | 103.4 | 57% | 0.569 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.9 | -44.7 | 174.8 | -177 | -100.2 | 0 | 0 | 0 | 111.6 | H56 K57 Q58 K63 I64 | H56-H60 WeakPolarHBondContact O-CB 3.3Å; H56-H60 PolarHBondContact O-N 3.03Å; K57-H60 WeakPolarHBondContact O-CB 3.37Å; K57-H60 PolarHBondContact O-N 2.9Å; Q58-H60 VanDerWaalsContact C-N 3.27Å; Q58-H60 PolarHBondContact O-N 3.09Å; H60-K63 PolarHBondContact O-N 3Å; H60-I64 WeakPolarHBondContact CE1-CD1 3.5Å; H60-I64 WeakPolarHBondContact O-CG1 3.38Å; H60-I64 PolarHBondContact O-N 2.75Å; H60-I64 VanDerWaalsContact O-N 3.07Å |
| 61 | S | 97.8 | Very high | 96.7 | Very high | 63 Ų | 63 | 103.1 Ų | 103.1 | 44% | 0.441 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.6 | 48.2 | 0 | 0 | 0 | 0 | 112.8 | K57 Q58 K63 I64 Q65 | K57-S61 PolarHBondContact O-N 3.37Å; K57-S61 VanDerWaalsContact O-N 3.1Å; K57-S61 PolarHBondContact O-OG 3.37Å; Q58-S61 WeakPolarHBondContact CA-OG 3.44Å; Q58-S61 PolarHBondContact O-N 2.89Å; Q58-S61 PolarHBondContact O-OG 3.1Å; S61-K63 PolarHBondContact O-N 3.22Å; S61-I64 PolarHBondContact O-N 3.47Å; S61-Q65 WeakPolarHBondContact O-CB 3.38Å; S61-Q65 PolarHBondContact O-N 2.97Å |
| 62 | E | 96.6 | Very high | 96.5 | Very high | 59 Ų | 59 | 101 Ų | 101 | 28% | 0.276 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.2 | -72.1 | 168.8 | -171.1 | 0 | 0 | 111.6 | Q58 R59 I64 Q65 M66 | Q58-E62 WeakPolarHBondContact CG-OE1 3.48Å; Q58-E62 PolarHBondContact NE2-OE1 3.22Å; Q58-E62 WeakPolarHBondContact O-CG 3.36Å; Q58-E62 PolarHBondContact O-N 3.31Å; R59-E62 WeakPolarHBondContact CD-OE2 3.34Å; R59-E62 IonicContact CZ-OE2 3.62Å; R59-E62 IonicContact NE-OE2 3.54Å; R59-E62 IonicContact NH1-OE2 3.56Å; R59-E62 PolarHBondContact NH1-OE2 3.34Å; E62-I64 PolarHBondContact O-N 3.48Å; E62-Q65 PolarHBondContact O-N 3.34Å; E62-M66 WeakPolarHBondContact O-CG 3.25Å; E62-M66 PolarHBondContact O-N 3.37Å |
| 63 | K | 96.9 | Very high | 96.3 | Very high | 134 Ų | 134 | 105.1 Ų | 105.1 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 175 | -76.4 | 179.8 | 178.7 | -174.7 | 0 | 112 | R59 H60 S61 K67 | R59-K63 WeakPolarHBondContact O-CG 3.49Å; R59-K63 PolarHBondContact O-N 3.35Å; R59-K63 VanDerWaalsContact O-N 3.09Å; H60-K63 PolarHBondContact O-N 3Å; S61-K63 PolarHBondContact O-N 3.22Å; K63-K67 WeakPolarHBondContact O-CB 3.43Å; K63-K67 VanDerWaalsContact O-CG 3.29Å; K63-K67 WeakPolarHBondContact O-CG 3.46Å; K63-K67 PolarHBondContact O-N 3.07Å |
| 64 | I | 97.6 | Very high | 96.1 | Very high | 67 Ų | 67 | 103.1 Ų | 103.1 | 34% | 0.344 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 177.2 | -71.6 | 171.8 | 0 | 0 | 0 | 110.7 | H60 S61 E62 K67 K68 | H60-I64 WeakPolarHBondContact CE1-CD1 3.5Å; H60-I64 WeakPolarHBondContact O-CG1 3.38Å; H60-I64 PolarHBondContact O-N 2.75Å; H60-I64 VanDerWaalsContact O-N 3.07Å; S61-I64 PolarHBondContact O-N 3.47Å; E62-I64 PolarHBondContact O-N 3.48Å; I64-K67 PolarHBondContact O-N 3.4Å; I64-K68 HydrophobicContact CG2-CD 4.24Å; I64-K68 HydrophobicContact CG2-CG 4.47Å; I64-K68 WeakPolarHBondContact O-CG 3.19Å; I64-K68 PolarHBondContact O-N 2.86Å |
| 65 | Q | 97.6 | Very high | 95.6 | Very high | 131 Ų | 131 | 103.7 Ų | 103.7 | 61% | 0.612 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60 | -48.8 | 178.6 | -174.8 | 174.5 | 3.1 | 0 | 0 | 111 | S61 E62 K67 K68 T69 | S61-Q65 WeakPolarHBondContact O-CB 3.38Å; S61-Q65 PolarHBondContact O-N 2.97Å; E62-Q65 PolarHBondContact O-N 3.34Å; Q65-K67 VanDerWaalsContact C-N 3.35Å; Q65-K67 PolarHBondContact O-N 3.32Å; Q65-K68 PolarHBondContact O-N 2.98Å; Q65-K68 VanDerWaalsContact O-N 3.15Å; Q65-T69 WeakPolarHBondContact O-CG2 3.32Å; Q65-T69 PolarHBondContact O-N 3.38Å; Q65-T69 PolarHBondContact O-OG1 3.38Å |
| 66 | M | 97.2 | Very high | 94.9 | Very high | 115 Ų | 115 | 112.1 Ų | 112.1 | 57% | 0.567 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -40.4 | 177.3 | -70.9 | -58.8 | -62.1 | 0 | 0 | 112.7 | E62 K68 T69 L70 | E62-M66 WeakPolarHBondContact O-CG 3.25Å; E62-M66 PolarHBondContact O-N 3.37Å; M66-K68 VanDerWaalsContact C-N 3.35Å; M66-K68 PolarHBondContact O-N 3.42Å; M66-T69 WeakPolarHBondContact CA-OG1 3.49Å; M66-T69 PolarHBondContact O-N 2.88Å; M66-T69 PolarHBondContact O-OG1 3.15Å; M66-L70 WeakPolarHBondContact O-CB 3.29Å; M66-L70 VanDerWaalsContact O-CG 3.29Å; M66-L70 WeakPolarHBondContact O-CG 3.47Å; M66-L70 PolarHBondContact O-N 3.49Å |
| 67 | K | 97.6 | Very high | 94.3 | Very high | 153 Ų | 153 | 114.7 Ų | 114.7 | 67% | 0.665 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 174.3 | -77.2 | -179.9 | 177.3 | -168.7 | 0 | 111.8 | K63 I64 Q65 K71 | K63-K67 WeakPolarHBondContact O-CB 3.43Å; K63-K67 VanDerWaalsContact O-CG 3.29Å; K63-K67 WeakPolarHBondContact O-CG 3.46Å; K63-K67 PolarHBondContact O-N 3.07Å; I64-K67 PolarHBondContact O-N 3.4Å; Q65-K67 VanDerWaalsContact C-N 3.35Å; Q65-K67 PolarHBondContact O-N 3.32Å; K67-K71 WeakPolarHBondContact O-CB 3.43Å; K67-K71 PolarHBondContact O-N 2.98Å |
| 68 | K | 97.1 | Very high | 93.2 | Very high | 135 Ų | 135 | 111.3 Ų | 111.3 | 59% | 0.587 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 176.5 | -73.6 | -178.3 | 178.4 | -173.1 | 0 | 111.7 | I64 Q65 M66 K71 M72 | I64-K68 HydrophobicContact CG2-CD 4.24Å; I64-K68 HydrophobicContact CG2-CG 4.47Å; I64-K68 WeakPolarHBondContact O-CG 3.19Å; I64-K68 PolarHBondContact O-N 2.86Å; Q65-K68 PolarHBondContact O-N 2.98Å; Q65-K68 VanDerWaalsContact O-N 3.15Å; M66-K68 VanDerWaalsContact C-N 3.35Å; M66-K68 PolarHBondContact O-N 3.42Å; K68-K71 PolarHBondContact O-N 2.93Å; K68-M72 WeakPolarHBondContact O-CB 3.41Å; K68-M72 VanDerWaalsContact O-CG 3.32Å; K68-M72 WeakPolarHBondContact O-CG 3.29Å; K68-M72 PolarHBondContact O-N 2.92Å |
| 69 | T | 96.4 | Very high | 91.8 | Very high | 57 Ų | 57 | 115.6 Ų | 115.6 | 35% | 0.35 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | Q65 M66 M72 H73 | Q65-T69 WeakPolarHBondContact O-CG2 3.32Å; Q65-T69 PolarHBondContact O-N 3.38Å; Q65-T69 PolarHBondContact O-OG1 3.38Å; M66-T69 WeakPolarHBondContact CA-OG1 3.49Å; M66-T69 PolarHBondContact O-N 2.88Å; M66-T69 PolarHBondContact O-OG1 3.15Å; T69-M72 HydrophobicContact CG2-CE 4.17Å; T69-M72 PolarHBondContact O-N 3.14Å; T69-H73 WeakPolarHBondContact O-CB 3.41Å; T69-H73 PolarHBondContact O-N 2.92Å |
| 70 | L | 95.2 | Very high | 90.1 | Very high | 96 Ų | 96 | 120 Ų | 120 | 50% | 0.503 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.2 | -47.5 | 174.2 | -70.7 | 172 | 0 | 0 | 0 | 110.9 | M66 M72 H73 E74 | M66-L70 WeakPolarHBondContact O-CB 3.29Å; M66-L70 VanDerWaalsContact O-CG 3.29Å; M66-L70 WeakPolarHBondContact O-CG 3.47Å; M66-L70 PolarHBondContact O-N 3.49Å; L70-M72 PolarHBondContact O-N 2.99Å; L70-H73 PolarHBondContact O-N 3.42Å; L70-H73 VanDerWaalsContact O-N 3.14Å; L70-E74 WeakPolarHBondContact O-CG 3.5Å; L70-E74 PolarHBondContact O-N 3Å |
| 71 | K | 94.4 | Very high | 88.2 | Confident | 125 Ų | 125 | 123.4 Ų | 123.4 | 54% | 0.543 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.4 | -44.3 | 176.9 | -172.5 | 177.1 | -177.5 | 179.2 | 0 | 112.5 | K67 K68 H73 E74 Q75 | K67-K71 WeakPolarHBondContact O-CB 3.43Å; K67-K71 PolarHBondContact O-N 2.98Å; K68-K71 PolarHBondContact O-N 2.93Å; K71-H73 VanDerWaalsContact C-N 3.32Å; K71-H73 PolarHBondContact O-N 3.45Å; K71-E74 PolarHBondContact O-N 3.4Å; K71-Q75 HydrophobicContact CG-CG 4.48Å; K71-Q75 WeakPolarHBondContact O-CB 3.4Å; K71-Q75 VanDerWaalsContact O-CG 3.27Å; K71-Q75 WeakPolarHBondContact O-CG 3.47Å; K71-Q75 PolarHBondContact O-N 3.19Å |
| 72 | M | 92.4 | Very high | 86.2 | Confident | 115 Ų | 115 | 127.6 Ų | 127.6 | 57% | 0.567 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.6 | -39.7 | 176.3 | -74.4 | -171.2 | -59.2 | 0 | 0 | 111.9 | K68 T69 L70 R76 | K68-M72 WeakPolarHBondContact O-CB 3.41Å; K68-M72 VanDerWaalsContact O-CG 3.32Å; K68-M72 WeakPolarHBondContact O-CG 3.29Å; K68-M72 PolarHBondContact O-N 2.92Å; T69-M72 HydrophobicContact CG2-CE 4.17Å; T69-M72 PolarHBondContact O-N 3.14Å; L70-M72 PolarHBondContact O-N 2.99Å; M72-R76 WeakPolarHBondContact O-CB 3.35Å; M72-R76 PolarHBondContact O-N 3.46Å |
| 73 | H | 93.5 | Very high | 84.2 | Confident | 99 Ų | 99 | 131.9 Ų | 131.9 | 46% | 0.458 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.5 | -40.3 | 177.8 | -179.3 | -106.3 | 0 | 0 | 0 | 112.3 | T69 L70 K71 R76 K77 | T69-H73 WeakPolarHBondContact O-CB 3.41Å; T69-H73 PolarHBondContact O-N 2.92Å; L70-H73 PolarHBondContact O-N 3.42Å; L70-H73 VanDerWaalsContact O-N 3.14Å; K71-H73 VanDerWaalsContact C-N 3.32Å; K71-H73 PolarHBondContact O-N 3.45Å; H73-R76 PolarHBondContact O-N 2.89Å; H73-K77 WeakPolarHBondContact CE1-CE 3.37Å; H73-K77 PolarHBondContact CE1-NZ 3.14Å; H73-K77 WeakPolarHBondContact O-CG 3.39Å; H73-K77 PolarHBondContact O-N 3.39Å; H73-K77 VanDerWaalsContact O-N 3.14Å |
| 74 | E | 90.8 | Very high | 82.2 | Confident | 120 Ų | 120 | 132.1 Ų | 132.1 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.4 | -47.5 | 172.6 | -72.7 | 169.3 | -178.3 | 0 | 0 | 111.6 | L70 K71 R76 K77 T78 | L70-E74 WeakPolarHBondContact O-CG 3.5Å; L70-E74 PolarHBondContact O-N 3Å; K71-E74 PolarHBondContact O-N 3.4Å; E74-R76 VanDerWaalsContact C-N 3.3Å; E74-R76 PolarHBondContact O-N 3.05Å; E74-K77 WeakPolarHBondContact O-CB 3.44Å; E74-K77 PolarHBondContact O-N 2.92Å; E74-K77 VanDerWaalsContact O-N 3.11Å; E74-T78 PolarHBondContact O-N 3.2Å; E74-T78 PolarHBondContact O-OG1 2.89Å |
| 75 | Q | 86.9 | Confident | 80.3 | Confident | 116 Ų | 116 | 138.9 Ų | 138.9 | 54% | 0.542 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -62.7 | -34.6 | 176.4 | -73.3 | 176.9 | -28.8 | 0 | 0 | 112.7 | K71 K77 T78 | K71-Q75 HydrophobicContact CG-CG 4.48Å; K71-Q75 WeakPolarHBondContact O-CB 3.4Å; K71-Q75 VanDerWaalsContact O-CG 3.27Å; K71-Q75 WeakPolarHBondContact O-CG 3.47Å; K71-Q75 PolarHBondContact O-N 3.19Å; Q75-K77 VanDerWaalsContact C-N 3.32Å; Q75-T78 CarbonylContact O-C 3.5Å; Q75-T78 PolarHBondContact O-N 3.5Å |
| 76 | R | 83.1 | Confident | 78.4 | Confident | 209 Ų | 209 | 138.1 Ų | 138.1 | 79% | 0.789 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66.3 | -35.7 | 174.2 | -176.3 | 178.1 | 175 | -179.5 | -0.4 | 112.1 | M72 H73 E74 | M72-R76 WeakPolarHBondContact O-CB 3.35Å; M72-R76 PolarHBondContact O-N 3.46Å; H73-R76 PolarHBondContact O-N 2.89Å; E74-R76 VanDerWaalsContact C-N 3.3Å; E74-R76 PolarHBondContact O-N 3.05Å |
| 77 | K | 81.6 | Confident | 76.7 | Confident | 152 Ų | 152 | 137.3 Ų | 137.3 | 66% | 0.661 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.8 | -35.9 | 176.6 | -74.6 | 178.8 | 169.8 | -174.9 | 0 | 111.7 | H73 E74 Q75 | H73-K77 WeakPolarHBondContact CE1-CE 3.37Å; H73-K77 PolarHBondContact CE1-NZ 3.14Å; H73-K77 WeakPolarHBondContact O-CG 3.39Å; H73-K77 PolarHBondContact O-N 3.39Å; H73-K77 VanDerWaalsContact O-N 3.14Å; E74-K77 WeakPolarHBondContact O-CB 3.44Å; E74-K77 PolarHBondContact O-N 2.92Å; E74-K77 VanDerWaalsContact O-N 3.11Å; Q75-K77 VanDerWaalsContact C-N 3.32Å |
| 78 | T | 74.3 | Confident | 74.5 | Confident | 89 Ų | 89 | 140 Ų | 140 | 55% | 0.546 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -100.2 | 93.7 | -179 | -43.3 | 0 | 0 | 0 | 0 | 110.5 | E74 Q75 Q80 | E74-T78 PolarHBondContact O-N 3.2Å; E74-T78 PolarHBondContact O-OG1 2.89Å; Q75-T78 CarbonylContact O-C 3.5Å; Q75-T78 PolarHBondContact O-N 3.5Å; T78-Q80 PolarHBondContact O-N 3.16Å |
| 79 | K | 67.2 | Low | 73 | Confident | 200 Ų | 200 | 136.1 Ų | 136.1 | 87% | 0.87 | 67% | 0.673 | S | S | * | * | trans | -67.7 | 95 | 170.7 | -70.3 | -175.9 | -178.1 | 179.2 | 0 | 109.4 | K81 | K79-K81 PolarHBondContact O-N 2.79Š| ||
| 80 | Q | 61.1 | Low | 71.6 | Confident | 163 Ų | 163 | 136.6 Ų | 136.6 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | trans | -72 | 125.5 | 165.1 | -70.2 | -175.1 | -24 | 0 | 0 | 108.1 | T78 | T78-Q80 PolarHBondContact O-N 3.16Š| ||
| 81 | K | 57.6 | Low | 70.2 | Confident | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 67% | 0.673 | S | S | * | * | trans | -70.7 | 125.8 | 166.3 | -74.7 | -178.9 | 177.4 | 178.9 | 0 | 106.9 | K79 D83 | K79-K81 PolarHBondContact O-N 2.79Å; K81-D83 PolarHBondContact O-N 3.18Å | ||
| 82 | N | 55.9 | Low | 69.4 | Low | 152 Ų | 152 | 131.2 Ų | 131.2 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | trans | -74 | 114 | 169 | -72.2 | -21 | 0 | 0 | 0 | 107.5 | D84 | N82-D84 VanDerWaalsContact C-N 3.31Š| ||
| 83 | D | 53.5 | Low | 68.6 | Low | 148 Ų | 148 | 129.4 Ų | 129.4 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | trans | -85.6 | 0.4 | 178.1 | -88.8 | -24.3 | 0 | 0 | 0 | 113.4 | K81 K85 | K81-D83 PolarHBondContact O-N 3.18Å; D83-K85 PolarHBondContact O-N 3.05Å | ||
| 84 | D | 54.2 | Low | 67.6 | Low | 140 Ų | 140 | 133.2 Ų | 133.2 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | trans | -80.5 | 107.3 | -179.3 | -71.8 | -32.9 | 0 | 0 | 0 | 111.6 | N82 T86 | N82-D84 VanDerWaalsContact C-N 3.31Å; D84-T86 PolarHBondContact O-N 3.34Å | ||
| 85 | K | 58.3 | Low | 66.5 | Low | 209 Ų | 209 | 130.4 Ų | 130.4 | 91% | 0.909 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -66.8 | -13.4 | -179.3 | -77.4 | 180 | -179.8 | 176.2 | 0 | 114.8 | D83 | D83-K85 PolarHBondContact O-N 3.05Š|
| 86 | T | 57.5 | Low | 65.5 | Low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -159.6 | 109.3 | 175.5 | 29.7 | 0 | 0 | 0 | 0 | 110.8 | D84 | D84-T86 PolarHBondContact O-N 3.34Š|
| 87 | P | 61.1 | Low | 64.5 | Low | 98 Ų | 98 | 127.8 Ų | 127.8 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | trans | -69.1 | 134.8 | 174.9 | 25.9 | -31.2 | 0 | 0 | 0 | 110.8 | G89 A90 | P87-G89 PolarHBondContact O-N 3.38Å; P87-A90 PolarHBondContact O-N 2.91Å | ||
| 88 | E | 53.1 | Low | 63.6 | Low | 209 Ų | 209 | 129.5 Ų | 129.5 | 98% | 0.977 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 113.6 | 169.7 | -79.7 | -172.7 | 152.7 | 0 | 0 | 109.4 | ||
| 89 | G | 64.6 | Low | 62.9 | Low | 55 Ų | 55 | 134.9 Ų | 134.9 | 57% | 0.567 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.2 | 13.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | P87 V91 | P87-G89 PolarHBondContact O-N 3.38Å; G89-V91 WeakPolarHBondContact O-CG2 3.23Å; G89-V91 PolarHBondContact O-N 3.08Å |
| 90 | A | 66.9 | Low | 62 | Low | 66 Ų | 66 | 128.7 Ų | 128.7 | 55% | 0.545 | 69% | 0.688 | S | S | . | * | trans | -49 | 116.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | P87 R103 | P87-A90 PolarHBondContact O-N 2.91Å; A90-R103 PolarHBondContact O-NH2 2.78Å | ||
| 91 | V | 65.8 | Low | 61.3 | Low | 50 Ų | 50 | 130 Ų | 130 | 30% | 0.303 | 69% | 0.694 | S | S | . | * | trans | -113.2 | 143.8 | 175.4 | -156.5 | 0 | 0 | 0 | 0 | 107 | G89 L95 L96 | G89-V91 WeakPolarHBondContact O-CG2 3.23Å; G89-V91 PolarHBondContact O-N 3.08Å; V91-L95 HydrophobicContact CB-CB 4.26Å; V91-L95 HydrophobicContact CG1-CB 3.33Å; V91-L95 HydrophobicContact CG1-CD1 3.73Å; V91-L95 HydrophobicContact CG1-CG 4.17Å; V91-L96 HydrophobicContact CB-CD2 4.46Å; V91-L96 WeakPolarHBondContact O-CD2 3.39Å | ||
| 92 | P | 78.4 | Confident | 61 | Low | 59 Ų | 59 | 123.5 Ų | 123.5 | 38% | 0.383 | 67% | 0.673 | S | S | . | * | trans | -49.9 | 149.1 | 173.9 | -31.1 | 36 | 0 | 0 | 0 | 112.9 | Y94 L95 L96 | P92-Y94 HydrophobicContact CB-CD1 3.71Å; P92-Y94 HydrophobicContact CB-CE1 3.19Å; P92-Y94 HydrophobicContact CB-CE2 4.34Å; P92-Y94 HydrophobicContact CB-CG 4.47Å; P92-Y94 HydrophobicContact CG-CE1 4.07Å; P92-Y94 PolarHBondContact O-N 3.3Å; P92-L95 WeakPolarHBondContact O-CA 3.43Å; P92-L95 WeakPolarHBondContact O-CB 3.27Å; P92-L95 PolarHBondContact O-N 3.05Å; P92-L96 PolarHBondContact O-N 3.38Å | ||
| 93 | A | 74.5 | Confident | 60.5 | Low | 77 Ų | 77 | 122.6 Ų | 122.6 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -51.5 | -36.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L95 L96 | A93-L95 PolarHBondContact O-N 3.11Å; A93-L95 VanDerWaalsContact O-N 3.15Å; A93-L96 HydrophobicContact CB-CD1 4.34Å; A93-L96 PolarHBondContact O-N 3.4Å |
| 94 | Y | 73.8 | Confident | 60.3 | Low | 178 Ų | 178 | 119.6 Ų | 119.6 | 70% | 0.698 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -71.2 | -1.4 | 178.2 | 62.4 | -94.2 | 0 | 0 | 0 | 115 | P92 | P92-Y94 HydrophobicContact CB-CD1 3.71Å; P92-Y94 HydrophobicContact CB-CE1 3.19Å; P92-Y94 HydrophobicContact CB-CE2 4.34Å; P92-Y94 HydrophobicContact CB-CG 4.47Å; P92-Y94 HydrophobicContact CG-CE1 4.07Å; P92-Y94 PolarHBondContact O-N 3.3Å |
| 95 | L | 67.5 | Low | 59.9 | Low | 61 Ų | 61 | 121.9 Ų | 121.9 | 32% | 0.319 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -124.7 | 2.3 | 179.2 | -75.5 | 168.6 | 0 | 0 | 0 | 112.7 | V91 P92 A93 | V91-L95 HydrophobicContact CB-CB 4.26Å; V91-L95 HydrophobicContact CG1-CB 3.33Å; V91-L95 HydrophobicContact CG1-CD1 3.73Å; V91-L95 HydrophobicContact CG1-CG 4.17Å; P92-L95 WeakPolarHBondContact O-CA 3.43Å; P92-L95 WeakPolarHBondContact O-CB 3.27Å; P92-L95 PolarHBondContact O-N 3.05Å; A93-L95 PolarHBondContact O-N 3.11Å; A93-L95 VanDerWaalsContact O-N 3.15Å |
| 96 | L | 65 | Low | 59.4 | Low | 109 Ų | 109 | 116.3 Ų | 116.3 | 57% | 0.571 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -36.4 | -178.1 | -72.9 | 173.6 | 0 | 0 | 0 | 113 | V91 P92 A93 | V91-L96 HydrophobicContact CB-CD2 4.46Å; V91-L96 WeakPolarHBondContact O-CD2 3.39Å; P92-L96 PolarHBondContact O-N 3.38Å; A93-L96 HydrophobicContact CB-CD1 4.34Å; A93-L96 PolarHBondContact O-N 3.4Å |
| 97 | D | 63.2 | Low | 58.9 | Low | 162 Ų | 162 | 113.8 Ų | 113.8 | 87% | 0.866 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 3.5 | -175.5 | -61.8 | -38.4 | 0 | 0 | 0 | 114.1 | ||
| 98 | R | 62.8 | Low | 58.2 | Low | 187 Ų | 187 | 112 Ų | 112 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -95.3 | 109.2 | 175 | -65.6 | -174.4 | -178.1 | -175.3 | -0.7 | 108.5 | G100 | R98-G100 PolarHBondContact O-N 3.06Š|
| 99 | E | 58.3 | Low | 58 | Low | 203 Ų | 203 | 107.6 Ų | 107.6 | 95% | 0.949 | 59% | 0.591 | S | S | * | * | trans | -54.5 | 110.3 | 169.7 | -70.3 | -172 | 164.2 | 0 | 0 | 108.9 | Q101 | E99-Q101 PolarHBondContact O-N 2.96Š| ||
| 100 | G | 49.4 | Very low | 57.6 | Low | 70 Ų | 70 | 108.4 Ų | 108.4 | 72% | 0.722 | 58% | 0.581 | S | S | * | * | trans | -64.7 | 129.1 | -152.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | R98 S102 | R98-G100 PolarHBondContact O-N 3.06Å; G100-S102 PolarHBondContact O-N 2.71Å | ||
| 101 | Q | 45.5 | Very low | 57.1 | Low | 191 Ų | 191 | 107.8 Ų | 107.8 | 89% | 0.893 | 57% | 0.568 | S | S | * | * | trans | -69.4 | 114.7 | 136.3 | -80.4 | 179.8 | -12 | 0 | 0 | 107.3 | E99 R103 | E99-Q101 PolarHBondContact O-N 2.96Å; Q101-R103 PolarHBondContact O-N 3.49Å | ||
| 102 | S | 51.8 | Low | 56.8 | Low | 56 Ų | 56 | 112.9 Ų | 112.9 | 39% | 0.392 | 59% | 0.586 | S | S | . | * | trans | -62 | 135.3 | 178.8 | 45.3 | 0 | 0 | 0 | 0 | 111.3 | G100 A104 E192 L193 | G100-S102 PolarHBondContact O-N 2.71Å; S102-A104 PolarHBondContact O-N 2.84Å; S102-E192 PolarHBondContact OG-O 3.1Å; S102-L193 WeakPolarHBondContact O-CD2 3.14Å; S102-L193 WeakPolarHBondContact OG-CA 3.23Å | ||
| 103 | R | 45.4 | Very low | 55.8 | Low | 132 Ų | 132 | 116.4 Ų | 116.4 | 50% | 0.498 | 60% | 0.597 | S | S | . | * | trans | -36.8 | 109.5 | -175.7 | -70.3 | 172.3 | 169.3 | 166.9 | -1 | 115.3 | A90 Q101 K105 I106 | A90-R103 PolarHBondContact O-NH2 2.78Å; Q101-R103 PolarHBondContact O-N 3.49Å; R103-K105 PolarHBondContact O-N 3.47Å; R103-K105 VanDerWaalsContact O-N 3.09Å; R103-I106 HydrophobicContact CB-CD1 4.14Å; R103-I106 HydrophobicContact CB-CG1 4.29Å | ||
| 104 | A | 48.9 | Very low | 54.9 | Low | 85 Ų | 85 | 115.8 Ų | 115.8 | 70% | 0.702 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -1.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S102 | S102-A104 PolarHBondContact O-N 2.84Š|
| 105 | K | 45.9 | Very low | 54 | Low | 188 Ų | 188 | 115.1 Ų | 115.1 | 82% | 0.817 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -2.8 | -176.3 | -104.3 | 178.4 | 179.3 | 176.8 | 0 | 115.8 | R103 L107 | R103-K105 PolarHBondContact O-N 3.47Å; R103-K105 VanDerWaalsContact O-N 3.09Å; K105-L107 VanDerWaalsContact C-N 3.34Å |
| 106 | I | 47.7 | Very low | 53.6 | Low | 92 Ų | 92 | 121.6 Ų | 121.6 | 47% | 0.472 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -86.6 | -8.7 | 176.8 | -60 | 172.4 | 0 | 0 | 0 | 111.8 | R103 S108 M110 | R103-I106 HydrophobicContact CB-CD1 4.14Å; R103-I106 HydrophobicContact CB-CG1 4.29Å; I106-S108 VanDerWaalsContact C-N 3.34Å; I106-S108 PolarHBondContact O-N 2.68Å; I106-M110 HydrophobicContact CG2-CE 3.63Å |
| 107 | L | 47.7 | Very low | 53 | Low | 62 Ų | 62 | 122.5 Ų | 122.5 | 33% | 0.325 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.4 | -28.3 | 179.5 | -74.1 | 164.8 | 0 | 0 | 0 | 113.7 | K105 I111 E192 | K105-L107 VanDerWaalsContact C-N 3.34Å; L107-I111 VanDerWaalsContact O-CD1 3.25Å; L107-I111 WeakPolarHBondContact O-CD1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.47Å; L107-I111 PolarHBondContact O-N 2.95Å; L107-E192 WeakPolarHBondContact CD2-OE2 3.39Å |
| 108 | S | 45.3 | Very low | 52.5 | Low | 60 Ų | 60 | 122.9 Ų | 122.9 | 42% | 0.42 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -75.1 | -33 | -172.1 | 58.2 | 0 | 0 | 0 | 0 | 114.5 | I106 | I106-S108 VanDerWaalsContact C-N 3.34Å; I106-S108 PolarHBondContact O-N 2.68Å |
| 109 | N | 50.6 | Low | 51.6 | Low | 117 Ų | 117 | 119 Ų | 119 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -83.8 | -30.6 | 178.7 | -76.2 | -17.7 | 0 | 0 | 0 | 112.7 | I111 K112 | N109-I111 VanDerWaalsContact C-N 3.34Å; N109-I111 PolarHBondContact O-N 3.13Å; N109-K112 PolarHBondContact O-N 2.72Å |
| 110 | M | 55.3 | Low | 51.1 | Low | 71 Ų | 71 | 112.2 Ų | 112.2 | 35% | 0.35 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67 | -31.8 | 172.4 | -97.3 | -171.6 | -87.5 | 0 | 0 | 112.8 | I106 K112 Q113 K114 | I106-M110 HydrophobicContact CG2-CE 3.63Å; M110-K112 VanDerWaalsContact C-N 3.25Å; M110-K112 PolarHBondContact O-N 2.86Å; M110-Q113 PolarHBondContact O-N 3.03Å; M110-Q113 VanDerWaalsContact O-N 3.13Å; M110-K114 WeakPolarHBondContact O-CG 3.3Å; M110-K114 PolarHBondContact O-N 3.09Å |
| 111 | I | 56.8 | Low | 51.4 | Low | 54 Ų | 54 | 117.7 Ų | 117.7 | 28% | 0.277 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.2 | -34.2 | 176.7 | -71 | 162 | 0 | 0 | 0 | 111.9 | L107 N109 R115 | L107-I111 VanDerWaalsContact O-CD1 3.25Å; L107-I111 WeakPolarHBondContact O-CD1 3.29Å; L107-I111 WeakPolarHBondContact O-CG1 3.47Å; L107-I111 PolarHBondContact O-N 2.95Å; N109-I111 VanDerWaalsContact C-N 3.34Å; N109-I111 PolarHBondContact O-N 3.13Å; I111-R115 WeakPolarHBondContact O-CG 3.44Å; I111-R115 PolarHBondContact O-N 2.91Å; I111-R115 VanDerWaalsContact O-N 3.11Å |
| 112 | K | 58.2 | Low | 52.6 | Low | 156 Ų | 156 | 115.8 Ų | 115.8 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.1 | -34.3 | 176.3 | -75.1 | -179.7 | 175.7 | 177.3 | 0 | 112.2 | N109 M110 | N109-K112 PolarHBondContact O-N 2.72Å; M110-K112 VanDerWaalsContact C-N 3.25Å; M110-K112 PolarHBondContact O-N 2.86Å |
| 113 | Q | 57.4 | Low | 54 | Low | 134 Ų | 134 | 120.8 Ų | 120.8 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.4 | -44.6 | 171.5 | -77 | 172 | -26 | 0 | 0 | 111.7 | M110 R115 K116 E117 | M110-Q113 PolarHBondContact O-N 3.03Å; M110-Q113 VanDerWaalsContact O-N 3.13Å; Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 3.4Å; Q113-K116 PolarHBondContact O-N 3.47Å; Q113-E117 PolarHBondContact O-N 2.72Å |
| 114 | K | 57.3 | Low | 55.9 | Low | 63 Ų | 63 | 116.9 Ų | 116.9 | 27% | 0.274 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.7 | -29.1 | 177.1 | -72.8 | -167.1 | 164.8 | -171.2 | 0 | 113.6 | M110 W122 V265 | M110-K114 WeakPolarHBondContact O-CG 3.3Å; M110-K114 PolarHBondContact O-N 3.09Å; K114-W122 HydrophobicContact CB-CH2 4.01Å; K114-W122 HydrophobicContact CB-CZ2 4.4Å; K114-W122 HydrophobicContact CD-CH2 3.65Å; K114-W122 HydrophobicContact CD-CZ3 4.2Å; K114-W122 HydrophobicContact CG-CH2 3.75Å; K114-V265 PolarHBondContact NZ-O 3Å; K114-V265 PolarHBondContact NZ-OXT 3.2Å |
| 115 | R | 54.1 | Low | 57.8 | Low | 165 Ų | 165 | 116.5 Ų | 116.5 | 62% | 0.623 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.4 | -25.5 | 174.8 | -79 | -177 | -177.3 | -178.4 | 4.1 | 113.7 | I111 Q113 | I111-R115 WeakPolarHBondContact O-CG 3.44Å; I111-R115 PolarHBondContact O-N 2.91Å; I111-R115 VanDerWaalsContact O-N 3.11Å; Q113-R115 VanDerWaalsContact C-N 3.26Å; Q113-R115 PolarHBondContact O-N 3.4Å |
| 116 | K | 58 | Low | 59.9 | Low | 196 Ų | 196 | 109.8 Ų | 109.8 | 85% | 0.852 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -82 | -21.6 | 177.2 | -84.1 | -178.9 | 172.1 | -177.1 | 0 | 113.1 | Q113 K118 | Q113-K116 PolarHBondContact O-N 3.47Å; K116-K118 PolarHBondContact O-N 3.06Å |
| 117 | E | 52.7 | Low | 61.8 | Low | 128 Ų | 128 | 109.9 Ų | 109.9 | 60% | 0.598 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -93 | 17.1 | -177.8 | -65.6 | -176.1 | 145.2 | 0 | 0 | 114.9 | Q113 A119 G120 | Q113-E117 PolarHBondContact O-N 2.72Å; E117-A119 PolarHBondContact O-N 3.49Å; E117-G120 PolarHBondContact O-N 2.84Å |
| 118 | K | 53.1 | Low | 63.7 | Low | 170 Ų | 170 | 116.2 Ų | 116.2 | 74% | 0.739 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -3.6 | -156.7 | -132.6 | 179.8 | -177.8 | -173.7 | 0 | 118.3 | K116 | K116-K118 PolarHBondContact O-N 3.06Š|
| 119 | A | 44.7 | Very low | 65.9 | Low | 106 Ų | 106 | 115.1 Ų | 115.1 | 88% | 0.876 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | -1.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | E117 | E117-A119 PolarHBondContact O-N 3.49Š|
| 120 | G | 47.6 | Very low | 67.7 | Low | 61 Ų | 61 | 118.6 Ų | 118.6 | 63% | 0.629 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -44.5 | -160.1 | 0 | 0 | 0 | 0 | 0 | 119 | E117 | E117-G120 PolarHBondContact O-N 2.84Š|
| 121 | K | 55.2 | Low | 69.2 | Low | 185 Ų | 185 | 119.1 Ų | 119.1 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | trans | -153 | 45.2 | -154 | -63.9 | -177.7 | -179.1 | 173.5 | 0 | 114.8 | E123 | K121-E123 VanDerWaalsContact C-N 3.27Å; K121-E123 PolarHBondContact O-N 3.09Å | ||
| 122 | W | 71.8 | Confident | 70.7 | Confident | 150 Ų | 150 | 117.9 Ų | 117.9 | 57% | 0.568 | 59% | 0.585 | S | S | * | * | trans | -90.1 | 68.3 | 172.2 | -57.4 | 107.2 | 0 | 0 | 0 | 110.4 | K114 | K114-W122 HydrophobicContact CB-CH2 4.01Å; K114-W122 HydrophobicContact CB-CZ2 4.4Å; K114-W122 HydrophobicContact CD-CH2 3.65Å; K114-W122 HydrophobicContact CD-CZ3 4.2Å; K114-W122 HydrophobicContact CG-CH2 3.75Å | ||
| 123 | E | 79.4 | Confident | 72.1 | Confident | 161 Ų | 161 | 112 Ų | 112 | 75% | 0.752 | 57% | 0.569 | S | S | * | * | trans | -80 | 133.8 | 171.9 | -67.8 | -171.6 | 174.4 | 0 | 0 | 110.1 | K121 | K121-E123 VanDerWaalsContact C-N 3.27Å; K121-E123 PolarHBondContact O-N 3.09Å | ||
| 124 | V | 86.3 | Confident | 73.7 | Confident | 51 Ų | 51 | 112.6 Ų | 112.6 | 31% | 0.309 | 57% | 0.572 | S | S | . | * | trans | -69.3 | 149.3 | 167.2 | -67.2 | 0 | 0 | 0 | 0 | 109.3 | L126 P127 L264 | V124-L126 PolarHBondContact O-N 2.87Å; V124-P127 WeakPolarHBondContact O-CD 3.37Å; V124-L264 HydrophobicContact CB-CD2 4.5Å; V124-L264 HydrophobicContact CG1-CD1 4.07Å; V124-L264 HydrophobicContact CG1-CD2 4.34Å | ||
| 125 | P | 88.9 | Confident | 75.2 | Confident | 77 Ų | 77 | 115.4 Ų | 115.4 | 50% | 0.5 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -51.8 | -31.5 | -178.1 | -29.5 | 34.3 | 0 | 0 | 0 | 115.2 | Q248 L264 | P125-Q248 VanDerWaalsContact CD-OE1 3.28Å; P125-L264 HydrophobicContact CG-CD2 4.05Å |
| 126 | L | 89.5 | Confident | 77 | Confident | 47 Ų | 47 | 111.4 Ų | 111.4 | 25% | 0.246 | 58% | 0.583 | C | S | . | * | trans | -120.2 | 88.3 | 173.9 | -64.1 | 173.6 | 0 | 0 | 0 | 109.9 | V124 V129 K221 Q248 T250 | V124-L126 PolarHBondContact O-N 2.87Å; L126-V129 HydrophobicContact CB-CG2 4.28Å; L126-K221 HydrophobicContact CD1-CG 4.22Å; L126-Q248 PolarHBondContact O-NE2 2.92Å; L126-T250 HydrophobicContact CD1-CG2 4.31Å | ||
| 127 | P | 87.4 | Confident | 78.6 | Confident | 94 Ų | 94 | 102 Ų | 102 | 61% | 0.61 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -74.3 | -39.3 | -176.6 | 27.3 | -32.8 | 0 | 0 | 0 | 112.2 | V124 | V124-P127 WeakPolarHBondContact O-CD 3.37Š|
| 128 | K | 88.7 | Confident | 80.6 | Confident | 195 Ų | 195 | 96.6 Ų | 96.6 | 85% | 0.848 | 52% | 0.517 | S | S | * | . | trans | -118.3 | 124.8 | 179.7 | -168 | 174.4 | -176.2 | 176.5 | 0 | 109.9 | ||||
| 129 | V | 90.1 | Very high | 82.7 | Confident | 37 Ų | 37 | 94.8 Ų | 94.8 | 22% | 0.224 | 51% | 0.509 | C | S | . | . | trans | -120 | 152.6 | 175.9 | -175 | 0 | 0 | 0 | 0 | 109.4 | L126 A131 K221 | L126-V129 HydrophobicContact CB-CG2 4.28Å; V129-A131 PolarHBondContact O-N 2.82Å; V129-K221 HydrophobicContact CG1-CB 4Å; V129-K221 HydrophobicContact CG1-CD 4.4Å; V129-K221 HydrophobicContact CG1-CG 4.01Å | ||
| 130 | R | 89.7 | Confident | 85.1 | Confident | 189 Ų | 189 | 92.8 Ų | 92.8 | 71% | 0.713 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 125.7 | 171.3 | 176.5 | 177.3 | 167.3 | 177.8 | -5.7 | 109.6 | E136 | R130-E136 IonicContact NH2-OE1 3.66Å; R130-E136 PolarHBondContact NH2-OE1 2.83Å |
| 131 | A | 86.8 | Confident | 87.4 | Confident | 82 Ų | 82 | 91.6 Ų | 91.6 | 68% | 0.678 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 134.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V129 | V129-A131 PolarHBondContact O-N 2.82Š|
| 132 | Q | 87.6 | Confident | 89.3 | Confident | 28 Ų | 28 | 90.8 Ų | 90.8 | 13% | 0.131 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -95 | 130.8 | 174.9 | -63 | -164.4 | -4.2 | 0 | 0 | 110.1 | V137 | Q132-V137 HydrophobicContact CB-CG2 3.89Å; Q132-V137 VanDerWaalsContact OE1-CG2 3.26Å |
| 133 | G | 88.8 | Confident | 90.4 | Very high | 34 Ų | 34 | 85.3 Ų | 85.3 | 35% | 0.351 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 146.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T135 E136 V137 | G133-T135 PolarHBondContact O-N 2.78Å; G133-E136 WeakPolarHBondContact O-CB 3.38Å; G133-E136 PolarHBondContact O-N 2.76Å; G133-V137 PolarHBondContact O-N 2.93Å |
| 134 | E | 89.6 | Confident | 91.1 | Very high | 145 Ų | 145 | 80 Ų | 80 | 68% | 0.678 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.2 | -33 | 178.3 | -64.6 | -169.1 | 165.1 | 0 | 0 | 112.7 | E136 V137 L138 | E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 3.23Å; E134-V137 PolarHBondContact O-N 3.07Å; E134-L138 WeakPolarHBondContact O-CA 3.24Å; E134-L138 WeakPolarHBondContact O-CB 3.34Å; E134-L138 PolarHBondContact O-N 2.85Å |
| 135 | T | 90 | Very high | 91.5 | Very high | 122 Ų | 122 | 88 Ų | 88 | 75% | 0.748 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66 | -31.4 | 177.2 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | G133 | G133-T135 PolarHBondContact O-N 2.78Å |
| 136 | E | 90.8 | Very high | 91.7 | Very high | 81 Ų | 81 | 94.3 Ų | 94.3 | 38% | 0.379 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.1 | -34.6 | 177.7 | -62.6 | -176.8 | 167.7 | 0 | 0 | 111.6 | R130 G133 E134 T156 | R130-E136 IonicContact NH2-OE1 3.66Å; R130-E136 PolarHBondContact NH2-OE1 2.83Å; G133-E136 WeakPolarHBondContact O-CB 3.38Å; G133-E136 PolarHBondContact O-N 2.76Å; E134-E136 VanDerWaalsContact C-N 3.3Å; E134-E136 PolarHBondContact O-N 3.23Å; E136-T156 PolarHBondContact O-OG1 3.4Å |
| 137 | V | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 96.6 Ų | 96.6 | 0% | 0 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -90.4 | -36.2 | -176.1 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | Q132 G133 E134 V155 T156 K157 Y213 V218 | Q132-V137 HydrophobicContact CB-CG2 3.89Å; Q132-V137 VanDerWaalsContact OE1-CG2 3.26Å; G133-V137 PolarHBondContact O-N 2.93Å; E134-V137 PolarHBondContact O-N 3.07Å; V137-V155 WeakPolarHBondContact O-CA 3.49Å; V137-T156 WeakPolarHBondContact CA-OG1 3.45Å; V137-T156 PolarHBondContact O-N 3.47Å; V137-T156 PolarHBondContact O-OG1 2.7Å; V137-K157 HydrophobicContact CB-CG 4.39Å; V137-K157 HydrophobicContact CG1-CG 4.09Å; V137-K157 HydrophobicContact CG2-CG 4.19Å; V137-Y213 HydrophobicContact CB-CE1 4.24Å; V137-Y213 HydrophobicContact CG1-CD1 4.22Å; V137-Y213 HydrophobicContact CG1-CE1 3.76Å; V137-Y213 HydrophobicContact CG1-CE2 4.45Å; V137-Y213 HydrophobicContact CG2-CE2 4.11Å; V137-V218 HydrophobicContact CG1-CG1 4.17Å |
| 138 | L | 94.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 100.2 Ų | 100.2 | 7% | 0.073 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 94.2 | -171.1 | -62.7 | 177.2 | 0 | 0 | 0 | 111.4 | E134 R153 M154 V155 F175 Y213 | E134-L138 WeakPolarHBondContact O-CA 3.24Å; E134-L138 WeakPolarHBondContact O-CB 3.34Å; E134-L138 PolarHBondContact O-N 2.85Å; L138-R153 HydrophobicContact CB-CB 4.3Å; L138-R153 HydrophobicContact CD2-CB 4.39Å; L138-M154 CarbonylContact C-O 3.46Å; L138-M154 WeakPolarHBondContact CA-O 3.48Å; L138-V155 HydrophobicContact CD2-CG2 3.94Å; L138-F175 HydrophobicContact CD1-CE1 4.03Å; L138-F175 HydrophobicContact CD2-CD1 4.2Å; L138-F175 HydrophobicContact CD2-CE1 4.46Å; L138-Y213 HydrophobicContact CD1-CE1 4.4Å |
| 139 | K | 95.9 | Very high | 92.5 | Very high | 132 Ų | 132 | 97.8 Ų | 97.8 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 132.3 | 174 | -178.5 | 176.8 | -177.8 | 177.1 | 0 | 110.8 | I141 R153 M154 T156 | K139-I141 PolarHBondContact O-N 3.33Å; K139-R153 CarbonylContact O-C 3.49Å; K139-R153 WeakPolarHBondContact O-CA 3.42Å; K139-M154 HydrophobicContact CB-CB 4.31Å; K139-M154 PolarHBondContact N-O 2.99Å; K139-M154 PolarHBondContact O-N 2.83Å; K139-T156 HydrophobicContact CB-CG2 3.68Å |
| 140 | V | 96.2 | Very high | 92.7 | Very high | 63 Ų | 63 | 98.2 Ų | 98.2 | 38% | 0.382 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.2 | 174.6 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | A150 | V140-A150 HydrophobicContact CG1-CB 3.72Å |
| 141 | I | 95.4 | Very high | 92.9 | Very high | 37 Ų | 37 | 93.8 Ų | 93.8 | 19% | 0.19 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.8 | 168 | -64.5 | 161.2 | 0 | 0 | 0 | 108.8 | K139 T143 K152 M154 I176 | K139-I141 PolarHBondContact O-N 3.33Å; I141-T143 HydrophobicContact CG2-CG2 4.29Å; I141-K152 HydrophobicContact CB-CB 4.01Å; I141-K152 PolarHBondContact N-O 3.4Å; I141-M154 HydrophobicContact CD1-CB 3.64Å; I141-M154 HydrophobicContact CD1-CE 3.7Å; I141-M154 HydrophobicContact CD1-CG 4.31Å; I141-M154 HydrophobicContact CG1-CB 4.03Å; I141-M154 HydrophobicContact CG1-CE 4.15Å; I141-I176 HydrophobicContact CD1-CB 4.48Å; I141-I176 HydrophobicContact CD1-CD1 3.37Å; I141-I176 HydrophobicContact CD1-CG1 4.46Å |
| 142 | R | 95.8 | Very high | 93.3 | Very high | 168 Ų | 168 | 91.1 Ų | 91.1 | 63% | 0.634 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 147.8 | 170.2 | -66.7 | 179.1 | 179 | -173.3 | 1 | 109.9 | Q147 K149 A150 | R142-Q147 HydrophobicContact CB-CB 4.06Å; R142-Q147 WeakPolarHBondContact CB-O 3.46Å; R142-Q147 WeakPolarHBondContact CD-O 3.43Å; R142-Q147 PolarHBondContact O-OE1 3.45Å; R142-K149 CarbonylContact C-O 3.59Å; R142-K149 VanDerWaalsContact CA-O 3.29Å; R142-K149 WeakPolarHBondContact CA-O 3.4Å; R142-A150 HydrophobicContact CG-CB 4.29Å |
| 143 | T | 93.5 | Very high | 93.7 | Very high | 35 Ų | 35 | 93.5 Ų | 93.5 | 22% | 0.215 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.3 | -175.9 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | I141 K149 K152 | I141-T143 HydrophobicContact CG2-CG2 4.29Å; T143-K149 PolarHBondContact N-O 2.87Å; T143-K149 PolarHBondContact O-N 2.91Å; T143-K149 WeakPolarHBondContact OG1-CB 3.45Å; T143-K149 PolarHBondContact OG1-O 3.5Å; T143-K149 VanDerWaalsContact OG1-O 3.06Å; T143-K152 HydrophobicContact CG2-CD 3.93Å; T143-K152 HydrophobicContact CG2-CG 4.4Å |
| 144 | G | 93.8 | Very high | 94 | Very high | 50 Ų | 50 | 95 Ų | 95 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | S | Bend | trans | 91 | 161.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R146 Q147 | G144-R146 VanDerWaalsContact C-N 3.25Å; G144-R146 PolarHBondContact O-N 2.98Å; G144-Q147 PolarHBondContact O-N 3.06Å; G144-Q147 PolarHBondContact O-NE2 3.46Å |
| 145 | K | 94.6 | Very high | 94.3 | Very high | 218 Ų | 218 | 88.1 Ų | 88.1 | 95% | 0.948 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -40.8 | -177.2 | -173 | 174.5 | -179.1 | 176.3 | 0 | 112.9 | ||
| 146 | R | 94 | Very high | 94.6 | Very high | 210 Ų | 210 | 84.7 Ų | 84.7 | 79% | 0.792 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 3.2 | 178 | -62.6 | -176.9 | 177.9 | 177 | -2.3 | 114.2 | G144 K148 | G144-R146 VanDerWaalsContact C-N 3.25Å; G144-R146 PolarHBondContact O-N 2.98Å; R146-K148 HydrophobicContact CB-CG 4.32Å; R146-K148 PolarHBondContact O-N 3.37Å |
| 147 | Q | 93.3 | Very high | 94.7 | Very high | 94 Ų | 94 | 82 Ų | 82 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | trans | 54.9 | 26.5 | 176.5 | -61.7 | -66.8 | -24.4 | 0 | 0 | 115.8 | R142 G144 | R142-Q147 HydrophobicContact CB-CB 4.06Å; R142-Q147 WeakPolarHBondContact CB-O 3.46Å; R142-Q147 WeakPolarHBondContact CD-O 3.43Å; R142-Q147 PolarHBondContact O-OE1 3.45Å; G144-Q147 PolarHBondContact O-N 3.06Å; G144-Q147 PolarHBondContact O-NE2 3.46Å | ||
| 148 | K | 94.5 | Very high | 94.9 | Very high | 170 Ų | 170 | 82.1 Ų | 82.1 | 74% | 0.739 | 38% | 0.383 | S | S | * | . | trans | -80.7 | -16.6 | -178.2 | -69.8 | -170.4 | 173.6 | -170.4 | 0 | 114.2 | R146 | R146-K148 HydrophobicContact CB-CG 4.32Å; R146-K148 PolarHBondContact O-N 3.37Å | ||
| 149 | K | 94.1 | Very high | 94.9 | Very high | 145 Ų | 145 | 81.5 Ų | 81.5 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 118.5 | -173.6 | -60.5 | -62.8 | -174.1 | -179.9 | 0 | 110.8 | R142 T143 | R142-K149 CarbonylContact C-O 3.59Å; R142-K149 VanDerWaalsContact CA-O 3.29Å; R142-K149 WeakPolarHBondContact CA-O 3.4Å; T143-K149 PolarHBondContact N-O 2.87Å; T143-K149 PolarHBondContact O-N 2.91Å; T143-K149 WeakPolarHBondContact OG1-CB 3.45Å; T143-K149 PolarHBondContact OG1-O 3.5Å; T143-K149 VanDerWaalsContact OG1-O 3.06Å |
| 150 | A | 94.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 76 Ų | 76 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 34 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V140 R142 | V140-A150 HydrophobicContact CG1-CB 3.72Å; R142-A150 HydrophobicContact CG-CB 4.29Å |
| 151 | W | 93.7 | Very high | 94.7 | Very high | 97 Ų | 97 | 73.7 Ų | 73.7 | 37% | 0.367 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -19.2 | -173.4 | 63.8 | -82.3 | 0 | 0 | 0 | 113.9 | K171 R174 | W151-K171 WeakPolarHBondContact CH2-O 3.36Å; W151-R174 HydrophobicContact CE3-CB 4.28Å; W151-R174 HydrophobicContact CE3-CG 4.16Å; W151-R174 HydrophobicContact CZ3-CB 4.1Å; W151-R174 HydrophobicContact CZ3-CG 4.48Å; W151-R174 VanDerWaalsContact O-CG 3.31Å; W151-R174 WeakPolarHBondContact O-CG 3.31Å; W151-R174 PolarHBondContact O-NE 3.22Å |
| 152 | K | 95.6 | Very high | 94.5 | Very high | 26 Ų | 26 | 73.7 Ų | 73.7 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 144.4 | -179.6 | -66.9 | -166.4 | 175.4 | -168.5 | 0 | 112.1 | I141 T143 P170 R174 I176 | I141-K152 HydrophobicContact CB-CB 4.01Å; I141-K152 PolarHBondContact N-O 3.4Å; T143-K152 HydrophobicContact CG2-CD 3.93Å; T143-K152 HydrophobicContact CG2-CG 4.4Å; K152-P170 VanDerWaalsContact CE-O 3.3Å; K152-P170 WeakPolarHBondContact CE-O 3.34Å; K152-P170 PolarHBondContact NZ-O 2.83Å; K152-R174 WeakPolarHBondContact CA-O 3.36Å; K152-I176 HydrophobicContact CB-CD1 4.5Å; K152-I176 HydrophobicContact CD-CD1 4.01Å |
| 153 | R | 96.2 | Very high | 94.1 | Very high | 78 Ų | 78 | 71.5 Ų | 71.5 | 29% | 0.294 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126.7 | 179.5 | -60.9 | -63 | 176.7 | 141.4 | -0.9 | 109.9 | L138 K139 R174 F175 I176 | L138-R153 HydrophobicContact CB-CB 4.3Å; L138-R153 HydrophobicContact CD2-CB 4.39Å; K139-R153 CarbonylContact O-C 3.49Å; K139-R153 WeakPolarHBondContact O-CA 3.42Å; R153-R174 PolarHBondContact N-O 2.88Å; R153-F175 HydrophobicContact CB-CD1 3.9Å; R153-F175 HydrophobicContact CB-CE1 4.14Å; R153-F175 HydrophobicContact CG-CE1 4.33Å; R153-F175 CarbonylContact O-C 3.53Å; R153-F175 WeakPolarHBondContact O-CA 3.47Å; R153-I176 PolarHBondContact O-N 2.81Å |
| 154 | M | 95.7 | Very high | 94 | Very high | 65 Ų | 65 | 77.5 Ų | 77.5 | 32% | 0.32 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 130.8 | 172.9 | -164 | -176.9 | -75.7 | 0 | 0 | 109.5 | L138 K139 I141 T156 I176 | L138-M154 CarbonylContact C-O 3.46Å; L138-M154 WeakPolarHBondContact CA-O 3.48Å; K139-M154 HydrophobicContact CB-CB 4.31Å; K139-M154 PolarHBondContact N-O 2.99Å; K139-M154 PolarHBondContact O-N 2.83Å; I141-M154 HydrophobicContact CD1-CB 3.64Å; I141-M154 HydrophobicContact CD1-CE 3.7Å; I141-M154 HydrophobicContact CD1-CG 4.31Å; I141-M154 HydrophobicContact CG1-CB 4.03Å; I141-M154 HydrophobicContact CG1-CE 4.15Å; M154-T156 PolarHBondContact O-N 3.35Å; M154-I176 HydrophobicContact CG-CG2 4.45Å |
| 155 | V | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 122.7 | 168.8 | -177 | 0 | 0 | 0 | 0 | 108.5 | V137 L138 K157 I176 R177 P178 L216 V218 | V137-V155 WeakPolarHBondContact O-CA 3.49Å; L138-V155 HydrophobicContact CD2-CG2 3.94Å; V155-K157 HydrophobicContact CG1-CB 4.48Å; V155-K157 WeakPolarHBondContact CG1-O 3.43Å; V155-I176 PolarHBondContact N-O 3.16Å; V155-R177 HydrophobicContact CB-CG 4.46Å; V155-R177 HydrophobicContact CG2-CG 3.96Å; V155-P178 WeakPolarHBondContact O-CD 3.46Å; V155-L216 HydrophobicContact CG2-CD1 4.46Å; V155-V218 HydrophobicContact CG1-CG2 3.82Å |
| 156 | T | 94.9 | Very high | 93.6 | Very high | 51 Ų | 51 | 73.6 Ų | 73.6 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | trans | -93.4 | -19 | 178.2 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | E136 V137 K139 M154 L181 | E136-T156 PolarHBondContact O-OG1 3.4Å; V137-T156 WeakPolarHBondContact CA-OG1 3.45Å; V137-T156 PolarHBondContact O-N 3.47Å; V137-T156 PolarHBondContact O-OG1 2.7Å; K139-T156 HydrophobicContact CB-CG2 3.68Å; M154-T156 PolarHBondContact O-N 3.35Å; T156-L181 VanDerWaalsContact O-CD1 3.24Å; T156-L181 WeakPolarHBondContact O-CD1 3.2Å | ||
| 157 | K | 94.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 69.6 Ų | 69.6 | 11% | 0.109 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -87.7 | 161.4 | 178.5 | -59.2 | -62.2 | -177.4 | 177 | 0 | 111.1 | V137 V155 V218 T220 E254 | V137-K157 HydrophobicContact CB-CG 4.39Å; V137-K157 HydrophobicContact CG1-CG 4.09Å; V137-K157 HydrophobicContact CG2-CG 4.19Å; V155-K157 HydrophobicContact CG1-CB 4.48Å; V155-K157 WeakPolarHBondContact CG1-O 3.43Å; K157-V218 HydrophobicContact CB-CG1 3.66Å; K157-V218 HydrophobicContact CG-CG1 4.35Å; K157-T220 HydrophobicContact CG-CG2 4.45Å; K157-E254 HydrophobicContact CD-CB 4.06Å; K157-E254 HydrophobicContact CD-CG 3.97Å; K157-E254 IonicContact NZ-OE1 2.63Å; K157-E254 PolarHBondContact NZ-OE1 3.25Å |
| 158 | V | 95.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.012 | 36% | 0.355 | C | S | . | . | trans | -60.1 | 141.3 | 172.9 | 170.6 | 0 | 0 | 0 | 0 | 110 | F183 I219 P253 I259 | V158-F183 HydrophobicContact CB-CD2 4.31Å; V158-F183 HydrophobicContact CB-CE2 4.36Å; V158-F183 HydrophobicContact CG1-CB 4.32Å; V158-F183 HydrophobicContact CG1-CD2 3.24Å; V158-F183 HydrophobicContact CG1-CE2 3.74Å; V158-F183 HydrophobicContact CG1-CG 4.01Å; V158-F183 HydrophobicContact CG2-CD2 4.07Å; V158-F183 HydrophobicContact CG2-CE2 3.63Å; V158-F183 HydrophobicContact CG2-CZ 4.41Å; V158-I219 HydrophobicContact CG1-CB 4.4Å; V158-I219 PolarHBondContact O-N 3.4Å; V158-P253 HydrophobicContact CB-CB 4.07Å; V158-P253 HydrophobicContact CB-CG 3.99Å; V158-P253 HydrophobicContact CG1-CB 4.36Å; V158-P253 HydrophobicContact CG2-CB 3.9Å; V158-P253 HydrophobicContact CG2-CG 4.23Å; V158-I259 HydrophobicContact CG1-CD1 3.93Å; V158-I259 HydrophobicContact CG1-CG1 4.19Å | ||
| 159 | C | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -134.8 | 150.4 | 178.9 | 62 | 0 | 0 | 0 | 0 | 111.7 | L181 R182 F183 G217 | C159-L181 PolarHBondContact N-O 3.08Å; C159-L181 PolarHBondContact SG-O 2.93Å; C159-R182 VanDerWaalsContact O-CA 3.31Å; C159-R182 WeakPolarHBondContact O-CA 3.16Å; C159-F183 PolarHBondContact O-N 3.19Å; C159-G217 CarbonylContact C-O 3.54Å; C159-G217 WeakPolarHBondContact CA-O 3.46Å |
| 160 | F | 95.9 | Very high | 93.4 | Very high | 18 Ų | 18 | 65 Ų | 65 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | trans | -99.6 | 138.9 | 166.1 | 174.5 | -101.4 | 0 | 0 | 0 | 109.3 | F183 I201 L202 V204 G217 I219 | F160-F183 WeakPolarHBondContact CD2-O 3.32Å; F160-I201 HydrophobicContact CB-CG2 4.47Å; F160-I201 HydrophobicContact CD1-CG2 4.25Å; F160-I201 HydrophobicContact CD2-CB 3.71Å; F160-I201 HydrophobicContact CD2-CD1 4.36Å; F160-I201 HydrophobicContact CD2-CG2 3.59Å; F160-I201 HydrophobicContact CE1-CG2 4.4Å; F160-I201 HydrophobicContact CE2-CB 3.7Å; F160-I201 HydrophobicContact CE2-CG2 3.78Å; F160-I201 WeakPolarHBondContact CE2-O 3.35Å; F160-I201 HydrophobicContact CG-CB 4.46Å; F160-I201 HydrophobicContact CG-CG2 3.84Å; F160-I201 HydrophobicContact CZ-CB 4.43Å; F160-I201 HydrophobicContact CZ-CG2 4.17Å; F160-I201 VanDerWaalsContact CZ-O 3.23Å; F160-I201 WeakPolarHBondContact CZ-O 3.47Å; F160-L202 WeakPolarHBondContact CE1-O 3.31Å; F160-L202 WeakPolarHBondContact CZ-O 3.15Å; F160-V204 HydrophobicContact CB-CG2 3.81Å; F160-V204 HydrophobicContact CD1-CG2 4.3Å; F160-V204 HydrophobicContact CG-CG2 4.42Å; F160-G217 PolarHBondContact N-O 3.02Å; F160-I219 HydrophobicContact CB-CD1 3.8Å; F160-I219 HydrophobicContact CB-CG1 4.46Å | ||
| 161 | V | 93.8 | Very high | 93.4 | Very high | 13 Ų | 13 | 70.7 Ų | 70.7 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | trans | -135.5 | 122.6 | -180 | 175.9 | 0 | 0 | 0 | 0 | 105.8 | F165 R182 | V161-F165 HydrophobicContact CG1-CB 3.07Å; V161-F165 HydrophobicContact CG1-CD1 3.31Å; V161-F165 HydrophobicContact CG1-CD2 3.76Å; V161-F165 HydrophobicContact CG1-CE1 4.11Å; V161-F165 HydrophobicContact CG1-CG 3.07Å; V161-R182 HydrophobicContact CB-CG 4.44Å; V161-R182 HydrophobicContact CG2-CG 3.84Å | ||
| 162 | G | 90.6 | Very high | 93.3 | Very high | 37 Ų | 37 | 74.6 Ų | 74.6 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | trans | -61.3 | 160.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N164 F165 | G162-N164 PolarHBondContact O-N 2.76Å; G162-F165 VanDerWaalsContact O-CB 3.28Å; G162-F165 WeakPolarHBondContact O-CB 3.43Å; G162-F165 PolarHBondContact O-N 3.49Å; G162-F165 VanDerWaalsContact O-N 3.16Å | ||
| 163 | D | 87.7 | Confident | 93.2 | Very high | 122 Ų | 122 | 73.9 Ų | 73.9 | 65% | 0.652 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.9 | -171.8 | -69.6 | -51.3 | 0 | 0 | 0 | 113.8 | F165 K184 | D163-F165 PolarHBondContact O-N 2.75Å; D163-K184 IonicContact OD1-NZ 3.45Å; D163-K184 PolarHBondContact OD1-NZ 3.27Å |
| 164 | N | 90.3 | Very high | 93.1 | Very high | 162 Ų | 162 | 76.7 Ų | 76.7 | 87% | 0.866 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 21.4 | 178.4 | -64.4 | -10.9 | 0 | 0 | 0 | 113.8 | G162 T166 | G162-N164 PolarHBondContact O-N 2.76Å; N164-T166 PolarHBondContact O-N 2.82Å |
| 165 | F | 89.8 | Confident | 93.1 | Very high | 64 Ų | 64 | 76.6 Ų | 76.6 | 28% | 0.281 | 38% | 0.38 | S | S | . | . | trans | -80.3 | 114.2 | -176.7 | 178 | -103.7 | 0 | 0 | 0 | 113.3 | V161 G162 D163 R167 R177 | V161-F165 HydrophobicContact CG1-CB 3.07Å; V161-F165 HydrophobicContact CG1-CD1 3.31Å; V161-F165 HydrophobicContact CG1-CD2 3.76Å; V161-F165 HydrophobicContact CG1-CE1 4.11Å; V161-F165 HydrophobicContact CG1-CG 3.07Å; G162-F165 VanDerWaalsContact O-CB 3.28Å; G162-F165 WeakPolarHBondContact O-CB 3.43Å; G162-F165 PolarHBondContact O-N 3.49Å; G162-F165 VanDerWaalsContact O-N 3.16Å; D163-F165 PolarHBondContact O-N 2.75Å; F165-R167 HydrophobicContact CE1-CG 3.76Å; F165-R167 HydrophobicContact CZ-CG 4.24Å; F165-R177 VanDerWaalsContact CD2-NH2 3.26Å | ||
| 166 | T | 89.8 | Confident | 93.1 | Very high | 121 Ų | 121 | 77.7 Ų | 77.7 | 74% | 0.742 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -102.7 | 136.3 | 167.2 | -55.7 | 0 | 0 | 0 | 0 | 109.9 | N164 | N164-T166 PolarHBondContact O-N 2.82Š|
| 167 | R | 91.2 | Very high | 93.1 | Very high | 127 Ų | 127 | 77.1 Ų | 77.1 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 137.5 | 176.5 | -71.7 | -171.3 | 72.7 | -168.3 | -3 | 110.2 | F165 E173 | F165-R167 HydrophobicContact CE1-CG 3.76Å; F165-R167 HydrophobicContact CZ-CG 4.24Å; R167-E173 IonicContact CZ-OE1 3.35Å; R167-E173 IonicContact CZ-OE2 3.4Å; R167-E173 IonicContact NE-OE1 2.7Å; R167-E173 PolarHBondContact NE-OE1 3.26Å; R167-E173 IonicContact NE-OE2 2.76Å; R167-E173 IonicContact NH2-OE1 3.68Å; R167-E173 IonicContact NH2-OE2 3.47Å; R167-E173 PolarHBondContact NH2-OE2 2.86Å |
| 168 | K | 92.8 | Very high | 93 | Very high | 142 Ų | 142 | 77.6 Ų | 77.6 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 151.5 | 170.5 | -65.1 | -173.8 | 178.5 | -173.4 | 0 | 109.8 | E173 | K168-E173 HydrophobicContact CB-CB 4.32Š|
| 169 | P | 95.7 | Very high | 92.9 | Very high | 79 Ų | 79 | 84.3 Ų | 84.3 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 143.6 | 174.3 | -25.3 | 33 | 0 | 0 | 0 | 111.5 | K171 Y172 E173 | P169-K171 PolarHBondContact O-N 2.82Å; P169-Y172 HydrophobicContact CB-CD2 4.08Å; P169-Y172 HydrophobicContact CG-CD2 4.27Å; P169-Y172 PolarHBondContact O-N 2.93Å; P169-E173 PolarHBondContact O-N 3.32Å; P169-E173 VanDerWaalsContact O-N 3.13Å |
| 170 | P | 93.3 | Very high | 92.8 | Very high | 91 Ų | 91 | 87.5 Ų | 87.5 | 59% | 0.591 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.3 | -172 | -28.3 | 34.9 | 0 | 0 | 0 | 115.1 | K152 | K152-P170 VanDerWaalsContact CE-O 3.3Å; K152-P170 WeakPolarHBondContact CE-O 3.34Å; K152-P170 PolarHBondContact NZ-O 2.83Å |
| 171 | K | 93.6 | Very high | 92.7 | Very high | 165 Ų | 165 | 89 Ų | 89 | 72% | 0.717 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -29.9 | 176.9 | -174.8 | 63.9 | 175.8 | -169.6 | 0 | 113.1 | W151 P169 | W151-K171 WeakPolarHBondContact CH2-O 3.36Å; P169-K171 PolarHBondContact O-N 2.82Å |
| 172 | Y | 93.2 | Very high | 92.7 | Very high | 179 Ų | 179 | 90.9 Ų | 90.9 | 70% | 0.702 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -12.6 | -178.1 | -56.7 | -69.5 | 0 | 0 | 0 | 113.2 | P169 R174 | P169-Y172 HydrophobicContact CB-CD2 4.08Å; P169-Y172 HydrophobicContact CG-CD2 4.27Å; P169-Y172 PolarHBondContact O-N 2.93Å; Y172-R174 PolarHBondContact O-N 3.3Å |
| 173 | E | 93.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 91.7 Ų | 91.7 | 5% | 0.051 | 46% | 0.457 | C | S | . | . | trans | -78.3 | 103.5 | 176.7 | -167.7 | -179.9 | -154.1 | 0 | 0 | 111.2 | R167 K168 P169 I176 | R167-E173 IonicContact CZ-OE1 3.35Å; R167-E173 IonicContact CZ-OE2 3.4Å; R167-E173 IonicContact NE-OE1 2.7Å; R167-E173 PolarHBondContact NE-OE1 3.26Å; R167-E173 IonicContact NE-OE2 2.76Å; R167-E173 IonicContact NH2-OE1 3.68Å; R167-E173 IonicContact NH2-OE2 3.47Å; R167-E173 PolarHBondContact NH2-OE2 2.86Å; K168-E173 HydrophobicContact CB-CB 4.32Å; P169-E173 PolarHBondContact O-N 3.32Å; P169-E173 VanDerWaalsContact O-N 3.13Å; E173-I176 HydrophobicContact CG-CG1 4.08Å | ||
| 174 | R | 94.3 | Very high | 93.2 | Very high | 137 Ų | 137 | 91.7 Ų | 91.7 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | trans | -85.4 | -47.4 | 172.9 | -172.6 | 176.5 | 178.9 | -170.1 | -5 | 112.5 | W151 K152 R153 Y172 | W151-R174 HydrophobicContact CE3-CB 4.28Å; W151-R174 HydrophobicContact CE3-CG 4.16Å; W151-R174 HydrophobicContact CZ3-CB 4.1Å; W151-R174 HydrophobicContact CZ3-CG 4.48Å; W151-R174 VanDerWaalsContact O-CG 3.31Å; W151-R174 WeakPolarHBondContact O-CG 3.31Å; W151-R174 PolarHBondContact O-NE 3.22Å; K152-R174 WeakPolarHBondContact CA-O 3.36Å; R153-R174 PolarHBondContact N-O 2.88Å; Y172-R174 PolarHBondContact O-N 3.3Å | ||
| 175 | F | 95.1 | Very high | 93.5 | Very high | 62 Ų | 62 | 90 Ų | 90 | 27% | 0.272 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 113.6 | 179.3 | -63 | -74.6 | 0 | 0 | 0 | 110.1 | L138 R153 L216 | L138-F175 HydrophobicContact CD1-CE1 4.03Å; L138-F175 HydrophobicContact CD2-CD1 4.2Å; L138-F175 HydrophobicContact CD2-CE1 4.46Å; R153-F175 HydrophobicContact CB-CD1 3.9Å; R153-F175 HydrophobicContact CB-CE1 4.14Å; R153-F175 HydrophobicContact CG-CE1 4.33Å; R153-F175 CarbonylContact O-C 3.53Å; R153-F175 WeakPolarHBondContact O-CA 3.47Å; F175-L216 HydrophobicContact CB-CD1 4.49Å; F175-L216 HydrophobicContact CB-CD2 3.92Å; F175-L216 HydrophobicContact CD1-CD1 4.09Å; F175-L216 HydrophobicContact CD2-CD2 4.26Å; F175-L216 HydrophobicContact CG-CD1 4.21Å; F175-L216 HydrophobicContact CG-CD2 4.09Å |
| 176 | I | 95.2 | Very high | 93.8 | Very high | 23 Ų | 23 | 87 Ų | 87 | 12% | 0.118 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.1 | -178.5 | -66.2 | 161.8 | 0 | 0 | 0 | 108.7 | I141 K152 R153 M154 V155 E173 | I141-I176 HydrophobicContact CD1-CB 4.48Å; I141-I176 HydrophobicContact CD1-CD1 3.37Å; I141-I176 HydrophobicContact CD1-CG1 4.46Å; K152-I176 HydrophobicContact CB-CD1 4.5Å; K152-I176 HydrophobicContact CD-CD1 4.01Å; R153-I176 PolarHBondContact O-N 2.81Å; M154-I176 HydrophobicContact CG-CG2 4.45Å; V155-I176 PolarHBondContact N-O 3.16Å; E173-I176 HydrophobicContact CG-CG1 4.08Å |
| 177 | R | 94.7 | Very high | 94.1 | Very high | 39 Ų | 39 | 85 Ų | 85 | 15% | 0.147 | 41% | 0.405 | C | S | . | . | trans | -102.6 | 101.4 | 172.9 | -66.2 | -175.2 | -63 | -168.9 | 2.2 | 108.9 | V155 F165 R182 L216 | V155-R177 HydrophobicContact CB-CG 4.46Å; V155-R177 HydrophobicContact CG2-CG 3.96Å; F165-R177 VanDerWaalsContact CD2-NH2 3.26Å; R177-R182 VanDerWaalsContact O-CZ 3.3Å; R177-R182 PolarHBondContact O-NE 2.93Å; R177-R182 PolarHBondContact O-NH2 3.29Å; R177-L216 WeakPolarHBondContact CD-O 3.49Å; R177-L216 PolarHBondContact NH1-O 3.21Å | ||
| 178 | P | 93.4 | Very high | 94.3 | Very high | 36 Ų | 36 | 79 Ų | 79 | 23% | 0.234 | 38% | 0.382 | C | S | . | . | trans | -67.9 | 144.2 | -173.4 | 28.6 | -34.5 | 0 | 0 | 0 | 111.3 | V155 G180 L181 R182 | V155-P178 WeakPolarHBondContact O-CD 3.46Å; P178-G180 VanDerWaalsContact C-N 3.31Å; P178-G180 PolarHBondContact O-N 2.79Å; P178-L181 HydrophobicContact CG-CB 4.06Å; P178-L181 HydrophobicContact CG-CD1 3.62Å; P178-L181 HydrophobicContact CG-CG 3.86Å; P178-L181 PolarHBondContact O-N 2.91Å; P178-L181 VanDerWaalsContact O-N 3.16Å; P178-R182 WeakPolarHBondContact O-CG 3.42Å | ||
| 179 | M | 92.6 | Very high | 94.3 | Very high | 142 Ų | 142 | 74.5 Ų | 74.5 | 70% | 0.7 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -61.8 | -35.5 | -175.4 | -72.1 | 176.4 | 65.8 | 0 | 0 | 113.3 | L181 R182 | M179-L181 PolarHBondContact O-N 3.02Å; M179-R182 WeakPolarHBondContact O-CB 3.35Å; M179-R182 PolarHBondContact O-N 2.83Å; M179-R182 VanDerWaalsContact O-N 3.08Å |
| 180 | G | 92.2 | Very high | 93.9 | Very high | 68 Ų | 68 | 71 Ų | 71 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -65.7 | -15.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P178 | P178-G180 VanDerWaalsContact C-N 3.31Å; P178-G180 PolarHBondContact O-N 2.79Å |
| 181 | L | 94.4 | Very high | 93.6 | Very high | 48 Ų | 48 | 69.7 Ų | 69.7 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -105.2 | 9.6 | 176.3 | -59.9 | -178 | 0 | 0 | 0 | 112.6 | T156 C159 P178 M179 | T156-L181 VanDerWaalsContact O-CD1 3.24Å; T156-L181 WeakPolarHBondContact O-CD1 3.2Å; C159-L181 PolarHBondContact N-O 3.08Å; C159-L181 PolarHBondContact SG-O 2.93Å; P178-L181 HydrophobicContact CG-CB 4.06Å; P178-L181 HydrophobicContact CG-CD1 3.62Å; P178-L181 HydrophobicContact CG-CG 3.86Å; P178-L181 PolarHBondContact O-N 2.91Å; P178-L181 VanDerWaalsContact O-N 3.16Å; M179-L181 PolarHBondContact O-N 3.02Å |
| 182 | R | 94.2 | Very high | 93.1 | Very high | 54 Ų | 54 | 65.4 Ų | 65.4 | 20% | 0.204 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -93 | 106.2 | 178.5 | -64.2 | 179.2 | -164.2 | 174.3 | 3.3 | 109.7 | C159 V161 R177 P178 M179 | C159-R182 VanDerWaalsContact O-CA 3.31Å; C159-R182 WeakPolarHBondContact O-CA 3.16Å; V161-R182 HydrophobicContact CB-CG 4.44Å; V161-R182 HydrophobicContact CG2-CG 3.84Å; R177-R182 VanDerWaalsContact O-CZ 3.3Å; R177-R182 PolarHBondContact O-NE 2.93Å; R177-R182 PolarHBondContact O-NH2 3.29Å; P178-R182 WeakPolarHBondContact O-CG 3.42Å; M179-R182 WeakPolarHBondContact O-CB 3.35Å; M179-R182 PolarHBondContact O-N 2.83Å; M179-R182 VanDerWaalsContact O-N 3.08Å |
| 183 | F | 94.5 | Very high | 92.6 | Very high | 53 Ų | 53 | 59.9 Ų | 59.9 | 23% | 0.232 | 30% | 0.3 | C | S | . | . | trans | -101.8 | 143.6 | 174.3 | -65.3 | -28.7 | 0 | 0 | 0 | 111.3 | V158 C159 F160 G257 I259 | V158-F183 HydrophobicContact CB-CD2 4.31Å; V158-F183 HydrophobicContact CB-CE2 4.36Å; V158-F183 HydrophobicContact CG1-CB 4.32Å; V158-F183 HydrophobicContact CG1-CD2 3.24Å; V158-F183 HydrophobicContact CG1-CE2 3.74Å; V158-F183 HydrophobicContact CG1-CG 4.01Å; V158-F183 HydrophobicContact CG2-CD2 4.07Å; V158-F183 HydrophobicContact CG2-CE2 3.63Å; V158-F183 HydrophobicContact CG2-CZ 4.41Å; C159-F183 PolarHBondContact O-N 3.19Å; F160-F183 WeakPolarHBondContact CD2-O 3.32Å; F183-G257 WeakPolarHBondContact CE2-O 3.44Å; F183-G257 VanDerWaalsContact CZ-O 3.23Å; F183-G257 WeakPolarHBondContact CZ-O 3.35Å; F183-I259 HydrophobicContact CB-CD1 3.65Å; F183-I259 HydrophobicContact CD2-CD1 3.7Å; F183-I259 HydrophobicContact CD2-CG1 3.78Å; F183-I259 HydrophobicContact CG-CD1 4.19Å | ||
| 184 | K | 94.6 | Very high | 92.1 | Very high | 122 Ų | 122 | 68.2 Ų | 68.2 | 53% | 0.53 | 34% | 0.336 | S | S | . | . | trans | -109.2 | -19.2 | 179.2 | -64.5 | -167.9 | 173.7 | -150.6 | 0 | 113.4 | D163 P200 I201 | D163-K184 IonicContact OD1-NZ 3.45Å; D163-K184 PolarHBondContact OD1-NZ 3.27Å; K184-P200 WeakPolarHBondContact O-CA 3.39Å; K184-I201 PolarHBondContact O-N 3.36Å | ||
| 185 | K | 95 | Very high | 91.7 | Very high | 128 Ų | 128 | 63.4 Ų | 63.4 | 56% | 0.557 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153.6 | -176.3 | -60.3 | -172.1 | 179.1 | -171.2 | 0 | 110.6 | L199 | K185-L199 CarbonylContact C-O 3.5Å; K185-L199 WeakPolarHBondContact CA-O 3.4Å |
| 186 | A | 96.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 146.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V188 C198 L199 I201 I259 | A186-V188 HydrophobicContact CB-CG2 3.99Å; A186-V188 PolarHBondContact O-N 3.45Å; A186-C198 CarbonylContact O-C 3.43Å; A186-C198 WeakPolarHBondContact O-CA 3.18Å; A186-L199 PolarHBondContact N-O 3.49Å; A186-L199 PolarHBondContact O-N 3.33Å; A186-I201 HydrophobicContact CB-CD1 4.06Å; A186-I201 HydrophobicContact CB-CG1 3.91Å; A186-I259 HydrophobicContact CB-CB 4.09Å; A186-I259 HydrophobicContact CB-CG2 3.76Å |
| 187 | H | 96.2 | Very high | 91.3 | Very high | 80 Ų | 80 | 66.8 Ų | 66.8 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 106.7 | 168.2 | -65.3 | -75.8 | 0 | 0 | 0 | 108.5 | F197 I259 N260 A261 | H187-F197 CarbonylContact C-O 3.46Å; H187-F197 WeakPolarHBondContact CA-O 3.28Å; H187-I259 PolarHBondContact N-O 3.11Å; H187-N260 CarbonylContact O-C 3.59Å; H187-N260 WeakPolarHBondContact O-CA 3.25Å; H187-A261 PolarHBondContact O-N 2.78Å |
| 188 | V | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.6 | -170.4 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | A186 T196 F197 L199 V227 A247 A261 L263 | A186-V188 HydrophobicContact CB-CG2 3.99Å; A186-V188 PolarHBondContact O-N 3.45Å; V188-T196 WeakPolarHBondContact O-CA 3.32Å; V188-F197 PolarHBondContact N-O 3.49Å; V188-F197 PolarHBondContact O-N 3.43Å; V188-L199 HydrophobicContact CB-CD1 3.97Å; V188-L199 HydrophobicContact CB-CG 4.43Å; V188-L199 HydrophobicContact CG1-CD1 4.18Å; V188-L199 HydrophobicContact CG2-CB 4.23Å; V188-L199 HydrophobicContact CG2-CD1 4.23Å; V188-V227 HydrophobicContact CG1-CG2 4.46Å; V188-V227 HydrophobicContact CG2-CB 4.34Å; V188-V227 HydrophobicContact CG2-CG1 3.95Å; V188-V227 HydrophobicContact CG2-CG2 4.24Å; V188-A247 HydrophobicContact CG1-CB 4.32Å; V188-A261 CarbonylContact C-O 3.55Å; V188-A261 WeakPolarHBondContact CA-O 3.19Å; V188-A261 HydrophobicContact CG2-CB 4.42Å; V188-L263 HydrophobicContact CG1-CD1 3.95Å; V188-L263 HydrophobicContact CG1-CD2 3.65Å; V188-L263 HydrophobicContact CG1-CG 3.36Å |
| 189 | T | 92.8 | Very high | 91.3 | Very high | 47 Ų | 47 | 65.8 Ų | 65.8 | 29% | 0.288 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.1 | 176.9 | -50.3 | 0 | 0 | 0 | 0 | 110.5 | A195 T196 A261 L263 | T189-A195 WeakPolarHBondContact CA-O 3.41Å; T189-T196 HydrophobicContact CG2-CG2 4.15Å; T189-T196 WeakPolarHBondContact OG1-CG2 3.39Å; T189-A261 PolarHBondContact N-O 3.48Å; T189-L263 PolarHBondContact O-N 3.47Å |
| 190 | H | 88.3 | Confident | 91.5 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 3% | 0.032 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 117.5 | 168.8 | -166.7 | -67.3 | 0 | 0 | 0 | 109.7 | E192 L193 K194 A195 F197 L263 | H190-E192 VanDerWaalsContact C-N 3.33Å; H190-E192 IonicContact CE1-OE2 3.71Å; H190-E192 PolarHBondContact ND1-N 3.04Å; H190-E192 PolarHBondContact O-N 3.15Å; H190-L193 HydrophobicContact CB-CB 4.12Å; H190-L193 HydrophobicContact CB-CD1 4.34Å; H190-L193 HydrophobicContact CB-CG 4.44Å; H190-L193 PolarHBondContact ND1-N 3.25Å; H190-L193 PolarHBondContact O-N 2.84Å; H190-K194 PolarHBondContact O-N 3.33Å; H190-A195 PolarHBondContact N-O 3.27Å; H190-F197 HydrophobicContact CB-CE2 4.49Å; H190-L263 HydrophobicContact CB-CD1 4.12Å |
| 191 | P | 86.3 | Confident | 91.7 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 41% | 0.409 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -35.9 | -172.7 | 22.1 | -31.8 | 0 | 0 | 0 | 113.5 | V262 V265 | P191-V262 HydrophobicContact CG-CG1 4.49Å; P191-V265 HydrophobicContact CG-CG2 4.07Å |
| 192 | E | 84.4 | Confident | 91.7 | Very high | 75 Ų | 75 | 59 Ų | 59 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -35.3 | -179.3 | -54 | 177.1 | 171 | 0 | 0 | 113.8 | S102 L107 H190 | S102-E192 PolarHBondContact OG-O 3.1Å; L107-E192 WeakPolarHBondContact CD2-OE2 3.39Å; H190-E192 VanDerWaalsContact C-N 3.33Å; H190-E192 IonicContact CE1-OE2 3.71Å; H190-E192 PolarHBondContact ND1-N 3.04Å; H190-E192 PolarHBondContact O-N 3.15Å |
| 193 | L | 81.4 | Confident | 91.7 | Very high | 62 Ų | 62 | 57.2 Ų | 57.2 | 33% | 0.325 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -18.6 | 180 | -61.8 | 175 | 0 | 0 | 0 | 112.1 | S102 H190 A195 | S102-L193 WeakPolarHBondContact O-CD2 3.14Å; S102-L193 WeakPolarHBondContact OG-CA 3.23Å; H190-L193 HydrophobicContact CB-CB 4.12Å; H190-L193 HydrophobicContact CB-CD1 4.34Å; H190-L193 HydrophobicContact CB-CG 4.44Å; H190-L193 PolarHBondContact ND1-N 3.25Å; H190-L193 PolarHBondContact O-N 2.84Å; L193-A195 HydrophobicContact CB-CB 4.27Å; L193-A195 PolarHBondContact O-N 3.34Å; L193-A195 VanDerWaalsContact O-N 3.08Å |
| 194 | K | 84.1 | Confident | 91.8 | Very high | 186 Ų | 186 | 55.9 Ų | 55.9 | 81% | 0.809 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 27.3 | -173 | -58.7 | 178.7 | -179.4 | 175.1 | 0 | 113 | H190 | H190-K194 PolarHBondContact O-N 3.33Š|
| 195 | A | 84.8 | Confident | 91.8 | Very high | 37 Ų | 37 | 55.9 Ų | 55.9 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 153.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T189 H190 L193 F197 | T189-A195 WeakPolarHBondContact CA-O 3.41Å; H190-A195 PolarHBondContact N-O 3.27Å; L193-A195 HydrophobicContact CB-CB 4.27Å; L193-A195 PolarHBondContact O-N 3.34Å; L193-A195 VanDerWaalsContact O-N 3.08Å; A195-F197 HydrophobicContact CB-CE2 3.73Å; A195-F197 HydrophobicContact CB-CZ 3.85Å |
| 196 | T | 89.9 | Confident | 91.8 | Very high | 99 Ų | 99 | 55.4 Ų | 55.4 | 61% | 0.607 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.1 | -179.7 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | V188 T189 | V188-T196 WeakPolarHBondContact O-CA 3.32Å; T189-T196 HydrophobicContact CG2-CG2 4.15Å; T189-T196 WeakPolarHBondContact OG1-CG2 3.39Å |
| 197 | F | 91.8 | Very high | 91.6 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 140.7 | -176.2 | -58.5 | -88 | 0 | 0 | 0 | 110 | H187 V188 H190 A195 L199 L232 | H187-F197 CarbonylContact C-O 3.46Å; H187-F197 WeakPolarHBondContact CA-O 3.28Å; V188-F197 PolarHBondContact N-O 3.49Å; V188-F197 PolarHBondContact O-N 3.43Å; H190-F197 HydrophobicContact CB-CE2 4.49Å; A195-F197 HydrophobicContact CB-CE2 3.73Å; A195-F197 HydrophobicContact CB-CZ 3.85Å; F197-L199 HydrophobicContact CB-CD1 4.12Å; F197-L199 HydrophobicContact CB-CD2 3.87Å; F197-L199 HydrophobicContact CB-CG 3.74Å; F197-L199 PolarHBondContact O-N 2.93Å; F197-L232 HydrophobicContact CD1-CD2 3.81Å; F197-L232 HydrophobicContact CD2-CD2 3.6Å; F197-L232 HydrophobicContact CE1-CD2 3.57Å; F197-L232 HydrophobicContact CE2-CD2 3.34Å; F197-L232 HydrophobicContact CG-CD2 3.82Å; F197-L232 HydrophobicContact CZ-CD2 3.33Å |
| 198 | C | 94.2 | Very high | 91.4 | Very high | 55 Ų | 55 | 54.9 Ų | 54.9 | 37% | 0.372 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 79.8 | 177.4 | -169.2 | 0 | 0 | 0 | 0 | 110 | A186 | A186-C198 CarbonylContact O-C 3.43Å; A186-C198 WeakPolarHBondContact O-CA 3.18Å |
| 199 | L | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 143 | -170.5 | -59.8 | 177.3 | 0 | 0 | 0 | 111.6 | K185 A186 V188 F197 V227 N228 V229 E231 L232 | K185-L199 CarbonylContact C-O 3.5Å; K185-L199 WeakPolarHBondContact CA-O 3.4Å; A186-L199 PolarHBondContact N-O 3.49Å; A186-L199 PolarHBondContact O-N 3.33Å; V188-L199 HydrophobicContact CB-CD1 3.97Å; V188-L199 HydrophobicContact CB-CG 4.43Å; V188-L199 HydrophobicContact CG1-CD1 4.18Å; V188-L199 HydrophobicContact CG2-CB 4.23Å; V188-L199 HydrophobicContact CG2-CD1 4.23Å; F197-L199 HydrophobicContact CB-CD1 4.12Å; F197-L199 HydrophobicContact CB-CD2 3.87Å; F197-L199 HydrophobicContact CB-CG 3.74Å; F197-L199 PolarHBondContact O-N 2.93Å; L199-V227 HydrophobicContact CB-CB 4.38Å; L199-V227 HydrophobicContact CD1-CG2 4.43Å; L199-N228 WeakPolarHBondContact CB-O 3.44Å; L199-N228 WeakPolarHBondContact CD1-O 3.47Å; L199-N228 WeakPolarHBondContact CD2-O 3.23Å; L199-V229 HydrophobicContact CD1-CG1 4.1Å; L199-E231 HydrophobicContact CD2-CB 4.2Å; L199-E231 HydrophobicContact CD2-CG 4.48Å; L199-L232 HydrophobicContact CD1-CD1 4.46Å |
| 200 | P | 96.2 | Very high | 91.1 | Very high | 46 Ų | 46 | 55.9 Ų | 55.9 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 141 | 173.3 | 25.8 | -26 | 0 | 0 | 0 | 110.9 | K184 N228 | K184-P200 WeakPolarHBondContact O-CA 3.39Å; P200-N228 HydrophobicContact CG-CB 3.76Å; P200-N228 PolarHBondContact O-N 2.93Å |
| 201 | I | 96.4 | Very high | 91.3 | Very high | 7 Ų | 7 | 60 Ų | 60 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 130.4 | 175.8 | -57.1 | 171.4 | 0 | 0 | 0 | 107.6 | F160 K184 A186 I219 V225 I259 | F160-I201 HydrophobicContact CB-CG2 4.47Å; F160-I201 HydrophobicContact CD1-CG2 4.25Å; F160-I201 HydrophobicContact CD2-CB 3.71Å; F160-I201 HydrophobicContact CD2-CD1 4.36Å; F160-I201 HydrophobicContact CD2-CG2 3.59Å; F160-I201 HydrophobicContact CE1-CG2 4.4Å; F160-I201 HydrophobicContact CE2-CB 3.7Å; F160-I201 HydrophobicContact CE2-CG2 3.78Å; F160-I201 WeakPolarHBondContact CE2-O 3.35Å; F160-I201 HydrophobicContact CG-CB 4.46Å; F160-I201 HydrophobicContact CG-CG2 3.84Å; F160-I201 HydrophobicContact CZ-CB 4.43Å; F160-I201 HydrophobicContact CZ-CG2 4.17Å; F160-I201 VanDerWaalsContact CZ-O 3.23Å; F160-I201 WeakPolarHBondContact CZ-O 3.47Å; K184-I201 PolarHBondContact O-N 3.36Å; A186-I201 HydrophobicContact CB-CD1 4.06Å; A186-I201 HydrophobicContact CB-CG1 3.91Å; I201-I219 HydrophobicContact CD1-CD1 4.02Å; I201-V225 HydrophobicContact CG2-CB 4.42Å; I201-I259 HydrophobicContact CD1-CD1 3.73Å |
| 202 | L | 94.9 | Very high | 91.7 | Very high | 63 Ų | 63 | 60.8 Ų | 60.8 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -39.4 | 175 | -64 | 171.7 | 0 | 0 | 0 | 110.8 | F160 E226 N228 W243 | F160-L202 WeakPolarHBondContact CE1-O 3.31Å; F160-L202 WeakPolarHBondContact CZ-O 3.15Å; L202-E226 HydrophobicContact CB-CB 4.31Å; L202-E226 HydrophobicContact CB-CG 4.19Å; L202-E226 HydrophobicContact CD1-CG 4.11Å; L202-E226 PolarHBondContact N-O 3.21Å; L202-N228 HydrophobicContact CD1-CB 4.19Å; L202-N228 HydrophobicContact CD2-CB 4.19Å; L202-N228 HydrophobicContact CG-CB 4.15Å; L202-W243 HydrophobicContact CD1-CE3 3.79Å; L202-W243 HydrophobicContact CD1-CZ3 3.51Å; L202-W243 HydrophobicContact CD2-CZ3 4.1Å; L202-W243 HydrophobicContact CG-CZ3 4.42Å |
| 203 | G | 95.6 | Very high | 92.2 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 17% | 0.165 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 166.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V225 E226 | G203-V225 WeakPolarHBondContact O-CA 3.45Å; G203-E226 PolarHBondContact N-O 3.21Å; G203-E226 PolarHBondContact O-N 3.06Å |
| 204 | V | 95.9 | Very high | 92.8 | Very high | 24 Ų | 24 | 56 Ų | 56 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.2 | 170.6 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | F160 T214 I219 T223 V225 | F160-V204 HydrophobicContact CB-CG2 3.81Å; F160-V204 HydrophobicContact CD1-CG2 4.3Å; F160-V204 HydrophobicContact CG-CG2 4.42Å; V204-T214 HydrophobicContact CG1-CG2 4.36Å; V204-I219 HydrophobicContact CG2-CD1 4.23Å; V204-I219 HydrophobicContact CG2-CG1 3.96Å; V204-T223 HydrophobicContact CG1-CG2 3.53Å; V204-V225 HydrophobicContact CG2-CG1 4.27Å |
| 205 | K | 95.1 | Very high | 93.2 | Very high | 123 Ų | 123 | 53 Ų | 53 | 54% | 0.535 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -43 | -174.8 | -173.3 | 61.1 | 174 | -177.2 | 0 | 112.7 | T214 V224 Y246 | K205-T214 VanDerWaalsContact O-CG2 3.28Å; K205-T214 WeakPolarHBondContact O-CG2 3.41Å; K205-V224 HydrophobicContact CB-CG1 4.43Å; K205-V224 PolarHBondContact N-O 3.24Å; K205-Y246 HydrophobicContact CB-CD1 4.3Å; K205-Y246 HydrophobicContact CB-CE1 3.92Å; K205-Y246 HydrophobicContact CD-CE1 4.24Å; K205-Y246 HydrophobicContact CG-CD1 4.43Å; K205-Y246 HydrophobicContact CG-CE1 3.72Å |
| 206 | K | 93.9 | Very high | 93.7 | Very high | 118 Ų | 118 | 52.2 Ų | 52.2 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 122.1 | -177.6 | -173.4 | 72.8 | 177.6 | -172.1 | 0 | 110.9 | T223 V224 | K206-T223 CarbonylContact O-C 3.57Å; K206-T223 WeakPolarHBondContact O-CA 3.06Å; K206-T223 WeakPolarHBondContact O-CG2 3.45Å; K206-V224 HydrophobicContact CB-CB 4.2Å; K206-V224 HydrophobicContact CB-CG2 4.46Å; K206-V224 PolarHBondContact N-O 3.19Å; K206-V224 VanDerWaalsContact N-O 3.17Å; K206-V224 PolarHBondContact O-N 3.15Å |
| 207 | N | 93.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | trans | -95 | 131.4 | 162.6 | -169.9 | -55.4 | 0 | 0 | 0 | 109.2 | S209 T214 V218 T220 T223 | N207-S209 VanDerWaalsContact C-N 3.31Å; N207-S209 PolarHBondContact O-N 3.02Å; N207-S209 PolarHBondContact OD1-N 2.82Å; N207-T214 PolarHBondContact N-OG1 2.92Å; N207-V218 PolarHBondContact ND2-O 2.91Å; N207-T220 PolarHBondContact ND2-OG1 3.29Å; N207-T220 VanDerWaalsContact ND2-OG1 3.15Å; N207-T223 HydrophobicContact CB-CG2 4.44Å; N207-T223 PolarHBondContact ND2-OG1 3.35Å | ||
| 208 | P | 91.9 | Very high | 94.1 | Very high | 67 Ų | 67 | 45.1 Ų | 45.1 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -69.3 | -23.8 | -177.9 | 27.1 | -35.6 | 0 | 0 | 0 | 113.9 | ||
| 209 | S | 90.3 | Very high | 94.1 | Very high | 41 Ų | 41 | 42.5 Ų | 42.5 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -82.3 | -44.8 | -176.3 | -64.6 | 0 | 0 | 0 | 0 | 113 | N207 | N207-S209 VanDerWaalsContact C-N 3.31Å; N207-S209 PolarHBondContact O-N 3.02Å; N207-S209 PolarHBondContact OD1-N 2.82Å |
| 210 | S | 89.9 | Confident | 94.2 | Very high | 27 Ų | 27 | 42.5 Ų | 42.5 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | trans | -155.6 | 150.4 | 176.8 | 78.6 | 0 | 0 | 0 | 0 | 113.4 | L212 Y213 T214 | S210-L212 VanDerWaalsContact C-N 3.27Å; S210-L212 PolarHBondContact O-N 2.93Å; S210-Y213 PolarHBondContact O-N 3.02Å; S210-Y213 WeakPolarHBondContact OG-CB 3.42Å; S210-Y213 WeakPolarHBondContact OG-CD1 3.41Å; S210-Y213 WeakPolarHBondContact OG-CD2 3.4Å; S210-Y213 WeakPolarHBondContact OG-CE2 3.46Å; S210-Y213 PolarHBondContact OG-N 3.35Å; S210-Y213 VanDerWaalsContact OG-N 3.1Å; S210-T214 PolarHBondContact O-N 3.02Å; S210-T214 PolarHBondContact O-OG1 3.47Å | ||
| 211 | P | 93.4 | Very high | 94.1 | Very high | 94 Ų | 94 | 43.8 Ų | 43.8 | 61% | 0.61 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -61.9 | -34.2 | 169.9 | -22.5 | 33.9 | 0 | 0 | 0 | 112.8 | Y213 T214 T215 | P211-Y213 VanDerWaalsContact C-N 3.27Å; P211-Y213 PolarHBondContact O-N 2.8Å; P211-T214 WeakPolarHBondContact O-CA 3.5Å; P211-T214 WeakPolarHBondContact O-CB 3.5Å; P211-T214 PolarHBondContact O-N 2.85Å; P211-T215 PolarHBondContact O-N 2.86Å; P211-T215 VanDerWaalsContact O-N 3.09Å; P211-T215 PolarHBondContact O-OG1 3.37Å |
| 212 | L | 93.4 | Very high | 94 | Very high | 79 Ų | 79 | 43.6 Ų | 43.6 | 41% | 0.414 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 177.3 | -179.9 | 146.7 | 0 | 0 | 0 | 111.7 | S210 T214 T215 L216 | S210-L212 VanDerWaalsContact C-N 3.27Å; S210-L212 PolarHBondContact O-N 2.93Å; L212-T214 VanDerWaalsContact C-N 3.27Å; L212-T214 PolarHBondContact O-N 3.45Å; L212-T215 PolarHBondContact O-N 2.68Å; L212-L216 HydrophobicContact CD2-CD1 3.55Å; L212-L216 HydrophobicContact CD2-CG 4.19Å; L212-L216 HydrophobicContact CG-CD1 4.49Å; L212-L216 WeakPolarHBondContact O-CG 3.46Å; L212-L216 PolarHBondContact O-N 3.38Å |
| 213 | Y | 94.6 | Very high | 94 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -29.8 | 174.9 | -64.3 | -19.7 | 0 | 0 | 0 | 112.7 | V137 L138 S210 P211 G217 V218 | V137-Y213 HydrophobicContact CB-CE1 4.24Å; V137-Y213 HydrophobicContact CG1-CD1 4.22Å; V137-Y213 HydrophobicContact CG1-CE1 3.76Å; V137-Y213 HydrophobicContact CG1-CE2 4.45Å; V137-Y213 HydrophobicContact CG2-CE2 4.11Å; L138-Y213 HydrophobicContact CD1-CE1 4.4Å; S210-Y213 PolarHBondContact O-N 3.02Å; S210-Y213 WeakPolarHBondContact OG-CB 3.42Å; S210-Y213 WeakPolarHBondContact OG-CD1 3.41Å; S210-Y213 WeakPolarHBondContact OG-CD2 3.4Å; S210-Y213 WeakPolarHBondContact OG-CE2 3.46Å; S210-Y213 PolarHBondContact OG-N 3.35Å; S210-Y213 VanDerWaalsContact OG-N 3.1Å; P211-Y213 VanDerWaalsContact C-N 3.27Å; P211-Y213 PolarHBondContact O-N 2.8Å; Y213-G217 PolarHBondContact O-N 2.83Å; Y213-V218 HydrophobicContact CD1-CG2 4.41Å; Y213-V218 HydrophobicContact CG-CB 4.47Å; Y213-V218 PolarHBondContact O-N 3.42Å |
| 214 | T | 94.9 | Very high | 94 | Very high | 29 Ų | 29 | 41 Ų | 41 | 18% | 0.178 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -47 | 172.6 | -49.7 | 0 | 0 | 0 | 0 | 110.2 | V204 K205 N207 S210 P211 L212 L216 G217 | V204-T214 HydrophobicContact CG1-CG2 4.36Å; K205-T214 VanDerWaalsContact O-CG2 3.28Å; K205-T214 WeakPolarHBondContact O-CG2 3.41Å; N207-T214 PolarHBondContact N-OG1 2.92Å; S210-T214 PolarHBondContact O-N 3.02Å; S210-T214 PolarHBondContact O-OG1 3.47Å; P211-T214 WeakPolarHBondContact O-CA 3.5Å; P211-T214 WeakPolarHBondContact O-CB 3.5Å; P211-T214 PolarHBondContact O-N 2.85Å; L212-T214 VanDerWaalsContact C-N 3.27Å; L212-T214 PolarHBondContact O-N 3.45Å; T214-L216 PolarHBondContact O-N 2.79Å; T214-G217 PolarHBondContact O-N 2.83Å |
| 215 | T | 93.4 | Very high | 94.1 | Very high | 123 Ų | 123 | 39.8 Ų | 39.8 | 76% | 0.755 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.5 | -39.1 | 177.2 | -49.6 | 0 | 0 | 0 | 0 | 112.7 | P211 L212 G217 | P211-T215 PolarHBondContact O-N 2.86Å; P211-T215 VanDerWaalsContact O-N 3.09Å; P211-T215 PolarHBondContact O-OG1 3.37Å; L212-T215 PolarHBondContact O-N 2.68Å; T215-G217 PolarHBondContact O-N 2.84Å |
| 216 | L | 93.4 | Very high | 94.1 | Very high | 22 Ų | 22 | 36.7 Ų | 36.7 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.7 | -10.3 | 174.1 | -69.9 | -178 | 0 | 0 | 0 | 112.9 | V155 F175 R177 L212 T214 V218 | V155-L216 HydrophobicContact CG2-CD1 4.46Å; F175-L216 HydrophobicContact CB-CD1 4.49Å; F175-L216 HydrophobicContact CB-CD2 3.92Å; F175-L216 HydrophobicContact CD1-CD1 4.09Å; F175-L216 HydrophobicContact CD2-CD2 4.26Å; F175-L216 HydrophobicContact CG-CD1 4.21Å; F175-L216 HydrophobicContact CG-CD2 4.09Å; R177-L216 WeakPolarHBondContact CD-O 3.49Å; R177-L216 PolarHBondContact NH1-O 3.21Å; L212-L216 HydrophobicContact CD2-CD1 3.55Å; L212-L216 HydrophobicContact CD2-CG 4.19Å; L212-L216 HydrophobicContact CG-CD1 4.49Å; L212-L216 WeakPolarHBondContact O-CG 3.46Å; L212-L216 PolarHBondContact O-N 3.38Å; T214-L216 PolarHBondContact O-N 2.79Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 HydrophobicContact CB-CG2 3.88Å |
| 217 | G | 94.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 27.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C159 F160 Y213 T214 T215 I219 | C159-G217 CarbonylContact C-O 3.54Å; C159-G217 WeakPolarHBondContact CA-O 3.46Å; F160-G217 PolarHBondContact N-O 3.02Å; Y213-G217 PolarHBondContact O-N 2.83Å; T214-G217 PolarHBondContact O-N 2.83Å; T215-G217 PolarHBondContact O-N 2.84Å; G217-I219 PolarHBondContact O-N 3.01Å |
| 218 | V | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -72.8 | 128.3 | 178.2 | -178 | 0 | 0 | 0 | 0 | 109.6 | V137 V155 K157 N207 Y213 L216 T220 | V137-V218 HydrophobicContact CG1-CG1 4.17Å; V155-V218 HydrophobicContact CG1-CG2 3.82Å; K157-V218 HydrophobicContact CB-CG1 3.66Å; K157-V218 HydrophobicContact CG-CG1 4.35Å; N207-V218 PolarHBondContact ND2-O 2.91Å; Y213-V218 HydrophobicContact CD1-CG2 4.41Å; Y213-V218 HydrophobicContact CG-CB 4.47Å; Y213-V218 PolarHBondContact O-N 3.42Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 HydrophobicContact CB-CG2 3.88Å; V218-T220 HydrophobicContact CG1-CG2 4.05Å |
| 219 | I | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -106.8 | 112.2 | -179.1 | -58.5 | -178.7 | 0 | 0 | 0 | 108.6 | V158 F160 I201 V204 G217 V225 V249 P253 I259 | V158-I219 HydrophobicContact CG1-CB 4.4Å; V158-I219 PolarHBondContact O-N 3.4Å; F160-I219 HydrophobicContact CB-CD1 3.8Å; F160-I219 HydrophobicContact CB-CG1 4.46Å; I201-I219 HydrophobicContact CD1-CD1 4.02Å; V204-I219 HydrophobicContact CG2-CD1 4.23Å; V204-I219 HydrophobicContact CG2-CG1 3.96Å; G217-I219 PolarHBondContact O-N 3.01Å; I219-V225 HydrophobicContact CD1-CG1 4.24Å; I219-V225 HydrophobicContact CG1-CG1 4.48Å; I219-V249 HydrophobicContact CG2-CB 4.44Å; I219-V249 HydrophobicContact CG2-CG1 4.25Å; I219-V249 HydrophobicContact CG2-CG2 3.78Å; I219-P253 HydrophobicContact CG2-CG 4.28Å; I219-P253 WeakPolarHBondContact O-CG 3.49Å; I219-I259 HydrophobicContact CD1-CD1 3.69Å; I219-I259 HydrophobicContact CG2-CD1 4.45Å; I219-I259 HydrophobicContact CG2-CG2 4.41Å | ||
| 220 | T | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | trans | -120.3 | 170.9 | 173.4 | 58.2 | 0 | 0 | 0 | 0 | 109.7 | K157 N207 V218 G222 T223 | K157-T220 HydrophobicContact CG-CG2 4.45Å; N207-T220 PolarHBondContact ND2-OG1 3.29Å; N207-T220 VanDerWaalsContact ND2-OG1 3.15Å; V218-T220 HydrophobicContact CG1-CG2 4.05Å; T220-G222 PolarHBondContact O-N 3.38Å; T220-T223 PolarHBondContact N-OG1 3.26Å; T220-T223 VanDerWaalsContact O-CB 3.22Å; T220-T223 WeakPolarHBondContact O-CB 3.49Å; T220-T223 PolarHBondContact O-N 2.92Å; T220-T223 PolarHBondContact O-OG1 3.42Å; T220-T223 PolarHBondContact OG1-OG1 2.97Å | ||
| 221 | K | 94.7 | Very high | 93.8 | Very high | 73 Ų | 73 | 36 Ų | 36 | 32% | 0.317 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 135.8 | 169.7 | -173.9 | 169.6 | -178.8 | 173.2 | 0 | 111.1 | L126 V129 T223 T250 N251 N252 | L126-K221 HydrophobicContact CD1-CG 4.22Å; V129-K221 HydrophobicContact CG1-CB 4Å; V129-K221 HydrophobicContact CG1-CD 4.4Å; V129-K221 HydrophobicContact CG1-CG 4.01Å; K221-T223 VanDerWaalsContact C-N 3.26Å; K221-T223 PolarHBondContact O-N 3.03Å; K221-T250 WeakPolarHBondContact CE-O 3.28Å; K221-N251 WeakPolarHBondContact CA-O 3.18Å; K221-N251 WeakPolarHBondContact CB-O 3.41Å; K221-N252 WeakPolarHBondContact CB-OD1 3.42Å |
| 222 | G | 94.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 1.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | T220 V224 Q248 V249 | T220-G222 PolarHBondContact O-N 3.38Å; G222-V224 PolarHBondContact O-N 2.86Å; G222-Q248 PolarHBondContact O-NE2 2.96Å; G222-V249 WeakPolarHBondContact CA-O 3.06Å; G222-V249 PolarHBondContact N-O 3.24Å |
| 223 | T | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -63.7 | 132.7 | 173.6 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | V204 K206 N207 T220 K221 V225 V249 | V204-T223 HydrophobicContact CG1-CG2 3.53Å; K206-T223 CarbonylContact O-C 3.57Å; K206-T223 WeakPolarHBondContact O-CA 3.06Å; K206-T223 WeakPolarHBondContact O-CG2 3.45Å; N207-T223 HydrophobicContact CB-CG2 4.44Å; N207-T223 PolarHBondContact ND2-OG1 3.35Å; T220-T223 PolarHBondContact N-OG1 3.26Å; T220-T223 VanDerWaalsContact O-CB 3.22Å; T220-T223 WeakPolarHBondContact O-CB 3.49Å; T220-T223 PolarHBondContact O-N 2.92Å; T220-T223 PolarHBondContact O-OG1 3.42Å; T220-T223 PolarHBondContact OG1-OG1 2.97Å; K221-T223 VanDerWaalsContact C-N 3.26Å; K221-T223 PolarHBondContact O-N 3.03Å; T223-V225 HydrophobicContact CG2-CG1 4.13Å; T223-V249 PolarHBondContact O-N 3.25Å | ||
| 224 | V | 96.1 | Very high | 92.3 | Very high | 23 Ų | 23 | 33 Ų | 33 | 14% | 0.139 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 117.4 | 172.5 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | K205 K206 G222 Y246 A247 L264 | K205-V224 HydrophobicContact CB-CG1 4.43Å; K205-V224 PolarHBondContact N-O 3.24Å; K206-V224 HydrophobicContact CB-CB 4.2Å; K206-V224 HydrophobicContact CB-CG2 4.46Å; K206-V224 PolarHBondContact N-O 3.19Å; K206-V224 VanDerWaalsContact N-O 3.17Å; K206-V224 PolarHBondContact O-N 3.15Å; G222-V224 PolarHBondContact O-N 2.86Å; V224-Y246 HydrophobicContact CG1-CD1 4.1Å; V224-Y246 HydrophobicContact CG1-CG 4.26Å; V224-A247 WeakPolarHBondContact CA-O 3.22Å; V224-L264 HydrophobicContact CG1-CD1 4.24Å |
| 225 | V | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 150.3 | 178.4 | -63.8 | 0 | 0 | 0 | 0 | 109.7 | I201 G203 V204 I219 T223 V227 Y246 A247 V249 | I201-V225 HydrophobicContact CG2-CB 4.42Å; G203-V225 WeakPolarHBondContact O-CA 3.45Å; V204-V225 HydrophobicContact CG2-CG1 4.27Å; I219-V225 HydrophobicContact CD1-CG1 4.24Å; I219-V225 HydrophobicContact CG1-CG1 4.48Å; T223-V225 HydrophobicContact CG2-CG1 4.13Å; V225-V227 HydrophobicContact CG2-CG1 3.98Å; V225-Y246 CarbonylContact O-C 3.44Å; V225-Y246 WeakPolarHBondContact O-CA 3.39Å; V225-A247 HydrophobicContact CG2-CB 4.17Å; V225-A247 WeakPolarHBondContact CG2-O 3.4Å; V225-A247 PolarHBondContact N-O 3.03Å; V225-A247 PolarHBondContact O-N 3.09Å; V225-V249 HydrophobicContact CG1-CG2 4.23Å; V225-V249 HydrophobicContact CG2-CG2 4.24Å |
| 226 | E | 96 | Very high | 91.3 | Very high | 58 Ų | 58 | 32.5 Ų | 32.5 | 27% | 0.271 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125.6 | 170.5 | -169.6 | 173.4 | -176.5 | 0 | 0 | 107.9 | L202 G203 Y246 | L202-E226 HydrophobicContact CB-CB 4.31Å; L202-E226 HydrophobicContact CB-CG 4.19Å; L202-E226 HydrophobicContact CD1-CG 4.11Å; L202-E226 PolarHBondContact N-O 3.21Å; G203-E226 PolarHBondContact N-O 3.21Å; G203-E226 PolarHBondContact O-N 3.06Å; E226-Y246 HydrophobicContact CB-CD1 4.28Å; E226-Y246 HydrophobicContact CB-CE1 4.31Å; E226-Y246 HydrophobicContact CG-CE1 4.42Å |
| 227 | V | 96.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.3 | -176.5 | -66 | 0 | 0 | 0 | 0 | 110.1 | V188 L199 V225 V229 G244 K245 A247 L263 | V188-V227 HydrophobicContact CG1-CG2 4.46Å; V188-V227 HydrophobicContact CG2-CB 4.34Å; V188-V227 HydrophobicContact CG2-CG1 3.95Å; V188-V227 HydrophobicContact CG2-CG2 4.24Å; L199-V227 HydrophobicContact CB-CB 4.38Å; L199-V227 HydrophobicContact CD1-CG2 4.43Å; V225-V227 HydrophobicContact CG2-CG1 3.98Å; V227-V229 HydrophobicContact CG2-CG1 4.2Å; V227-V229 PolarHBondContact O-N 2.9Å; V227-G244 WeakPolarHBondContact O-CA 3.44Å; V227-K245 WeakPolarHBondContact CG2-O 3.45Å; V227-K245 PolarHBondContact N-O 3.27Å; V227-K245 PolarHBondContact O-N 3.44Å; V227-A247 HydrophobicContact CG1-CB 4.31Å; V227-A247 HydrophobicContact CG2-CB 3.99Å; V227-L263 HydrophobicContact CG2-CD2 3.88Å |
| 228 | N | 94.8 | Very high | 90.1 | Very high | 41 Ų | 41 | 40.7 Ų | 40.7 | 22% | 0.219 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 122 | 175.9 | -172.1 | -19.9 | 0 | 0 | 0 | 109.7 | L199 P200 L202 S230 W243 | L199-N228 WeakPolarHBondContact CB-O 3.44Å; L199-N228 WeakPolarHBondContact CD1-O 3.47Å; L199-N228 WeakPolarHBondContact CD2-O 3.23Å; P200-N228 HydrophobicContact CG-CB 3.76Å; P200-N228 PolarHBondContact O-N 2.93Å; L202-N228 HydrophobicContact CD1-CB 4.19Å; L202-N228 HydrophobicContact CD2-CB 4.19Å; L202-N228 HydrophobicContact CG-CB 4.15Å; N228-S230 VanDerWaalsContact OD1-CB 3.28Å; N228-S230 WeakPolarHBondContact OD1-CB 3.4Å; N228-S230 PolarHBondContact OD1-N 3.44Å; N228-S230 PolarHBondContact OD1-OG 3.47Å; N228-W243 CarbonylContact C-O 3.58Å; N228-W243 WeakPolarHBondContact CA-O 3.17Å; N228-W243 PolarHBondContact OD1-O 2.84Å |
| 229 | V | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -111.3 | 16.3 | -179 | -65.2 | 0 | 0 | 0 | 0 | 113.3 | L199 V227 E231 L232 L234 I242 W243 K245 L263 | L199-V229 HydrophobicContact CD1-CG1 4.1Å; V227-V229 HydrophobicContact CG2-CG1 4.2Å; V227-V229 PolarHBondContact O-N 2.9Å; V229-E231 PolarHBondContact O-N 3.42Å; V229-L232 HydrophobicContact CB-CB 4.47Å; V229-L232 HydrophobicContact CB-CD1 4.03Å; V229-L232 HydrophobicContact CB-CG 4.48Å; V229-L232 HydrophobicContact CG1-CD1 3.94Å; V229-L232 WeakPolarHBondContact O-CB 3.17Å; V229-L232 PolarHBondContact O-N 3.09Å; V229-L234 HydrophobicContact CG2-CD1 4.43Å; V229-I242 HydrophobicContact CG2-CG2 3.88Å; V229-W243 PolarHBondContact N-O 3.07Å; V229-K245 HydrophobicContact CB-CB 4.49Å; V229-K245 HydrophobicContact CG1-CB 3.7Å; V229-K245 HydrophobicContact CG2-CB 3.96Å; V229-L263 HydrophobicContact CG1-CD2 4.14Å | ||
| 230 | S | 88.2 | Confident | 89.2 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 43% | 0.427 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -54.7 | -35.4 | 177.2 | -67.9 | 0 | 0 | 0 | 0 | 112.9 | N228 L232 G233 W243 | N228-S230 VanDerWaalsContact OD1-CB 3.28Å; N228-S230 WeakPolarHBondContact OD1-CB 3.4Å; N228-S230 PolarHBondContact OD1-N 3.44Å; N228-S230 PolarHBondContact OD1-OG 3.47Å; S230-L232 PolarHBondContact O-N 2.96Å; S230-G233 PolarHBondContact O-N 3.42Å; S230-W243 WeakPolarHBondContact OG-CB 3.48Å |
| 231 | E | 83.4 | Confident | 88.8 | Confident | 138 Ų | 138 | 55.5 Ų | 55.5 | 65% | 0.645 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -65.9 | -21.8 | 176.9 | -65.5 | -179.4 | -173 | 0 | 0 | 113.5 | L199 V229 | L199-E231 HydrophobicContact CD2-CB 4.2Å; L199-E231 HydrophobicContact CD2-CG 4.48Å; V229-E231 PolarHBondContact O-N 3.42Å |
| 232 | L | 82.3 | Confident | 88.5 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -83.1 | -13.3 | 179.3 | -66 | 178 | 0 | 0 | 0 | 113.3 | F197 L199 V229 S230 L234 L263 | F197-L232 HydrophobicContact CD1-CD2 3.81Å; F197-L232 HydrophobicContact CD2-CD2 3.6Å; F197-L232 HydrophobicContact CE1-CD2 3.57Å; F197-L232 HydrophobicContact CE2-CD2 3.34Å; F197-L232 HydrophobicContact CG-CD2 3.82Å; F197-L232 HydrophobicContact CZ-CD2 3.33Å; L199-L232 HydrophobicContact CD1-CD1 4.46Å; V229-L232 HydrophobicContact CB-CB 4.47Å; V229-L232 HydrophobicContact CB-CD1 4.03Å; V229-L232 HydrophobicContact CB-CG 4.48Å; V229-L232 HydrophobicContact CG1-CD1 3.94Å; V229-L232 WeakPolarHBondContact O-CB 3.17Å; V229-L232 PolarHBondContact O-N 3.09Å; S230-L232 PolarHBondContact O-N 2.96Å; L232-L234 HydrophobicContact CB-CD1 4.42Å; L232-L234 HydrophobicContact CB-CG 3.97Å; L232-L234 HydrophobicContact CD1-CD1 4.36Å; L232-L234 PolarHBondContact O-N 2.81Å; L232-L263 HydrophobicContact CD1-CD1 3.73Å |
| 233 | G | 82.9 | Confident | 88.3 | Confident | 51 Ų | 51 | 61.7 Ų | 61.7 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 31.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S230 V235 | S230-G233 PolarHBondContact O-N 3.42Å; G233-V235 PolarHBondContact O-N 2.92Å |
| 234 | L | 82.8 | Confident | 88.3 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 17% | 0.173 | 37% | 0.365 | C | S | . | . | trans | -70.4 | 126.7 | 179 | -66.2 | 177.4 | 0 | 0 | 0 | 110.2 | V229 L232 I242 K245 | V229-L234 HydrophobicContact CG2-CD1 4.43Å; L232-L234 HydrophobicContact CB-CD1 4.42Å; L232-L234 HydrophobicContact CB-CG 3.97Å; L232-L234 HydrophobicContact CD1-CD1 4.36Å; L232-L234 PolarHBondContact O-N 2.81Å; L234-I242 HydrophobicContact CB-CB 4.15Å; L234-I242 HydrophobicContact CB-CD1 4.26Å; L234-I242 PolarHBondContact O-N 2.91Å; L234-K245 HydrophobicContact CD1-CD 4.1Å | ||
| 235 | V | 82.9 | Confident | 88.2 | Confident | 83 Ų | 83 | 63.6 Ų | 63.6 | 50% | 0.503 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -121.8 | 137.1 | -179.1 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | G233 V241 | G233-V235 PolarHBondContact O-N 2.92Å; V235-V241 HydrophobicContact CG2-CG2 4.49Å |
| 236 | T | 85.3 | Confident | 88.1 | Confident | 60 Ų | 60 | 68.2 Ų | 68.2 | 37% | 0.368 | 39% | 0.385 | S | S | . | . | trans | -72 | 162.5 | 172.3 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | G238 G239 K240 I242 | T236-G238 PolarHBondContact O-N 3.43Å; T236-G239 PolarHBondContact O-N 2.84Å; T236-K240 PolarHBondContact N-O 3.17Å; T236-K240 PolarHBondContact OG1-N 3.45Å; T236-K240 PolarHBondContact OG1-O 2.88Å; T236-K240 VanDerWaalsContact OG1-O 3.07Å; T236-I242 HydrophobicContact CG2-CD1 3.81Å; T236-I242 HydrophobicContact CG2-CG1 3.7Å | ||
| 237 | Q | 80.3 | Confident | 88.1 | Confident | 131 Ų | 131 | 65.4 Ų | 65.4 | 61% | 0.612 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -22.3 | 174.2 | -68.9 | 179.1 | -23.9 | 0 | 0 | 113.3 | ||
| 238 | G | 83.6 | Confident | 88.1 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 69% | 0.691 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 16.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T236 K240 | T236-G238 PolarHBondContact O-N 3.43Å; G238-K240 PolarHBondContact O-N 3.02Å; G238-K240 VanDerWaalsContact O-N 3.12Å |
| 239 | G | 84.4 | Confident | 88.2 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 57% | 0.567 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 75.8 | -4.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T236 | T236-G239 PolarHBondContact O-N 2.84Š|
| 240 | K | 86.8 | Confident | 88.4 | Confident | 164 Ų | 164 | 66 Ų | 66 | 71% | 0.713 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -74 | 129.9 | 175.6 | -61.5 | -176.3 | 180 | -177.8 | 0 | 110.5 | T236 G238 | T236-K240 PolarHBondContact N-O 3.17Å; T236-K240 PolarHBondContact OG1-N 3.45Å; T236-K240 PolarHBondContact OG1-O 2.88Å; T236-K240 VanDerWaalsContact OG1-O 3.07Å; G238-K240 PolarHBondContact O-N 3.02Å; G238-K240 VanDerWaalsContact O-N 3.12Å |
| 241 | V | 86.6 | Confident | 88.7 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 56% | 0.564 | 36% | 0.36 | S | S | * | . | B | Isolated β-bridge | trans | -73.3 | 130.9 | 176.1 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | V235 | V235-V241 HydrophobicContact CG2-CG2 4.49Å |
| 242 | I | 88.9 | Confident | 89.2 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 27% | 0.272 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -88.4 | 121.7 | 174.1 | -56.2 | 173.3 | 0 | 0 | 0 | 107.3 | V229 L234 T236 G244 | V229-I242 HydrophobicContact CG2-CG2 3.88Å; L234-I242 HydrophobicContact CB-CB 4.15Å; L234-I242 HydrophobicContact CB-CD1 4.26Å; L234-I242 PolarHBondContact O-N 2.91Å; T236-I242 HydrophobicContact CG2-CD1 3.81Å; T236-I242 HydrophobicContact CG2-CG1 3.7Å; I242-G244 VanDerWaalsContact CG2-O 3.31Å; I242-G244 WeakPolarHBondContact CG2-O 3.36Å |
| 243 | W | 90.6 | Very high | 89.8 | Confident | 153 Ų | 153 | 58.7 Ų | 58.7 | 58% | 0.58 | 34% | 0.337 | S | S | * | . | trans | -110.1 | -15.3 | 177.8 | 63.7 | -87.1 | 0 | 0 | 0 | 112.6 | L202 N228 V229 S230 | L202-W243 HydrophobicContact CD1-CE3 3.79Å; L202-W243 HydrophobicContact CD1-CZ3 3.51Å; L202-W243 HydrophobicContact CD2-CZ3 4.1Å; L202-W243 HydrophobicContact CG-CZ3 4.42Å; N228-W243 CarbonylContact C-O 3.58Å; N228-W243 WeakPolarHBondContact CA-O 3.17Å; N228-W243 PolarHBondContact OD1-O 2.84Å; V229-W243 PolarHBondContact N-O 3.07Å; S230-W243 WeakPolarHBondContact OG-CB 3.48Å | ||
| 244 | G | 93.6 | Very high | 90 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V227 I242 | V227-G244 WeakPolarHBondContact O-CA 3.44Å; I242-G244 VanDerWaalsContact CG2-O 3.31Å; I242-G244 WeakPolarHBondContact CG2-O 3.36Å |
| 245 | K | 93.9 | Very high | 90.4 | Very high | 41 Ų | 41 | 63.1 Ų | 63.1 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 152.7 | 173.4 | -163.2 | 161 | 179.5 | 170 | 0 | 110.7 | V227 V229 L234 L263 L264 | V227-K245 WeakPolarHBondContact CG2-O 3.45Å; V227-K245 PolarHBondContact N-O 3.27Å; V227-K245 PolarHBondContact O-N 3.44Å; V229-K245 HydrophobicContact CB-CB 4.49Å; V229-K245 HydrophobicContact CG1-CB 3.7Å; V229-K245 HydrophobicContact CG2-CB 3.96Å; L234-K245 HydrophobicContact CD1-CD 4.1Å; K245-L263 HydrophobicContact CB-CD2 4.19Å; K245-L263 HydrophobicContact CD-CD2 4.35Å; K245-L263 HydrophobicContact CG-CD2 4.21Å; K245-L264 WeakPolarHBondContact CE-O 3.47Å |
| 246 | Y | 95.9 | Very high | 90.8 | Very high | 97 Ų | 97 | 63.9 Ų | 63.9 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 138.8 | 175.7 | -62.3 | -58.7 | 0 | 0 | 0 | 111.2 | K205 V224 V225 E226 L264 | K205-Y246 HydrophobicContact CB-CD1 4.3Å; K205-Y246 HydrophobicContact CB-CE1 3.92Å; K205-Y246 HydrophobicContact CD-CE1 4.24Å; K205-Y246 HydrophobicContact CG-CD1 4.43Å; K205-Y246 HydrophobicContact CG-CE1 3.72Å; V224-Y246 HydrophobicContact CG1-CD1 4.1Å; V224-Y246 HydrophobicContact CG1-CG 4.26Å; V225-Y246 CarbonylContact O-C 3.44Å; V225-Y246 WeakPolarHBondContact O-CA 3.39Å; E226-Y246 HydrophobicContact CB-CD1 4.28Å; E226-Y246 HydrophobicContact CB-CE1 4.31Å; E226-Y246 HydrophobicContact CG-CE1 4.42Å; Y246-L264 PolarHBondContact O-N 2.91Å |
| 247 | A | 96.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V188 V224 V225 V227 A261 V262 L263 | V188-A247 HydrophobicContact CG1-CB 4.32Å; V224-A247 WeakPolarHBondContact CA-O 3.22Å; V225-A247 HydrophobicContact CG2-CB 4.17Å; V225-A247 WeakPolarHBondContact CG2-O 3.4Å; V225-A247 PolarHBondContact N-O 3.03Å; V225-A247 PolarHBondContact O-N 3.09Å; V227-A247 HydrophobicContact CG1-CB 4.31Å; V227-A247 HydrophobicContact CG2-CB 3.99Å; A247-A261 HydrophobicContact CB-CB 3.93Å; A247-V262 CarbonylContact C-O 3.59Å; A247-V262 VanDerWaalsContact CA-O 3.23Å; A247-V262 WeakPolarHBondContact CA-O 3.28Å; A247-L263 HydrophobicContact CB-CD2 4.2Å |
| 248 | Q | 96.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 59.3 Ų | 59.3 | 2% | 0.023 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.5 | 175.6 | -171.8 | 176.5 | 39.8 | 0 | 0 | 110.4 | P125 L126 G222 A261 V262 L264 | P125-Q248 VanDerWaalsContact CD-OE1 3.28Å; L126-Q248 PolarHBondContact O-NE2 2.92Å; G222-Q248 PolarHBondContact O-NE2 2.96Å; Q248-A261 CarbonylContact O-C 3.55Å; Q248-A261 WeakPolarHBondContact O-CA 3.36Å; Q248-A261 WeakPolarHBondContact O-CB 3.38Å; Q248-V262 PolarHBondContact N-O 3.18Å; Q248-V262 PolarHBondContact O-N 3.27Å; Q248-L264 HydrophobicContact CB-CD2 4.04Å; Q248-L264 HydrophobicContact CB-CG 4.49Å |
| 249 | V | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 129.1 | 177.4 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | I219 G222 T223 V225 I259 N260 A261 | I219-V249 HydrophobicContact CG2-CB 4.44Å; I219-V249 HydrophobicContact CG2-CG1 4.25Å; I219-V249 HydrophobicContact CG2-CG2 3.78Å; G222-V249 WeakPolarHBondContact CA-O 3.06Å; G222-V249 PolarHBondContact N-O 3.24Å; T223-V249 PolarHBondContact O-N 3.25Å; V225-V249 HydrophobicContact CG1-CG2 4.23Å; V225-V249 HydrophobicContact CG2-CG2 4.24Å; V249-I259 HydrophobicContact CG1-CG2 4.26Å; V249-I259 HydrophobicContact CG2-CG2 3.8Å; V249-N260 CarbonylContact C-O 3.57Å; V249-N260 WeakPolarHBondContact CA-O 3.42Å; V249-A261 HydrophobicContact CG2-CB 4.29Å |
| 250 | T | 95.3 | Very high | 92.9 | Very high | 47 Ų | 47 | 56.4 Ų | 56.4 | 29% | 0.288 | 30% | 0.296 | S | S | . | . | trans | -104.4 | -27.3 | -173.5 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | L126 K221 N260 V262 | L126-T250 HydrophobicContact CD1-CG2 4.31Å; K221-T250 WeakPolarHBondContact CE-O 3.28Å; T250-N260 PolarHBondContact N-O 3.49Å; T250-N260 PolarHBondContact OG1-O 3.13Å; T250-V262 HydrophobicContact CG2-CB 4.24Å; T250-V262 HydrophobicContact CG2-CG2 3.6Å | ||
| 251 | N | 94.9 | Very high | 93.3 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -98.7 | 178.9 | -179 | 76.6 | -45.6 | 0 | 0 | 0 | 112.9 | K221 P253 D256 C258 N260 | K221-N251 WeakPolarHBondContact CA-O 3.18Å; K221-N251 WeakPolarHBondContact CB-O 3.41Å; N251-P253 WeakPolarHBondContact O-CD 2.92Å; N251-D256 PolarHBondContact ND2-OD2 3.3Å; N251-C258 PolarHBondContact ND2-O 3.36Å; N251-N260 HydrophobicContact CB-CB 4.25Å; N251-N260 PolarHBondContact OD1-N 3.35Å; N251-N260 PolarHBondContact OD1-O 3.26Å |
| 252 | N | 93.6 | Very high | 93.8 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | trans | -101.1 | 94.1 | 170.3 | -67.1 | -46 | 0 | 0 | 0 | 108 | K221 E254 N255 | K221-N252 WeakPolarHBondContact CB-OD1 3.42Å; N252-E254 VanDerWaalsContact C-OE2 3.3Å; N252-E254 PolarHBondContact O-N 3.12Å; N252-E254 VanDerWaalsContact O-N 3.09Å; N252-N255 PolarHBondContact O-N 2.94Å; N252-N255 VanDerWaalsContact O-N 3.09Å | ||
| 253 | P | 93.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -20.9 | -168.4 | 28.7 | -38.2 | 0 | 0 | 0 | 113.6 | V158 I219 N251 N255 G257 C258 I259 | V158-P253 HydrophobicContact CB-CB 4.07Å; V158-P253 HydrophobicContact CB-CG 3.99Å; V158-P253 HydrophobicContact CG1-CB 4.36Å; V158-P253 HydrophobicContact CG2-CB 3.9Å; V158-P253 HydrophobicContact CG2-CG 4.23Å; I219-P253 HydrophobicContact CG2-CG 4.28Å; I219-P253 WeakPolarHBondContact O-CG 3.49Å; N251-P253 WeakPolarHBondContact O-CD 2.92Å; P253-N255 VanDerWaalsContact C-N 3.29Å; P253-N255 PolarHBondContact O-N 3Å; P253-G257 PolarHBondContact O-N 3.36Å; P253-C258 WeakPolarHBondContact CA-O 3.42Å; P253-C258 WeakPolarHBondContact CB-O 3.31Å; P253-I259 HydrophobicContact CB-CG1 3.99Å |
| 254 | E | 88.1 | Confident | 93.9 | Very high | 52 Ų | 52 | 38.2 Ų | 38.2 | 24% | 0.243 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -25.4 | 175.2 | 64.8 | -90.6 | -147 | 0 | 0 | 114.8 | K157 N252 | K157-E254 HydrophobicContact CD-CB 4.06Å; K157-E254 HydrophobicContact CD-CG 3.97Å; K157-E254 IonicContact NZ-OE1 2.63Å; K157-E254 PolarHBondContact NZ-OE1 3.25Å; N252-E254 VanDerWaalsContact C-OE2 3.3Å; N252-E254 PolarHBondContact O-N 3.12Å; N252-E254 VanDerWaalsContact O-N 3.09Å |
| 255 | N | 91.5 | Very high | 93.4 | Very high | 126 Ų | 126 | 40.5 Ų | 40.5 | 67% | 0.674 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -94.2 | -32.7 | -178.3 | -67.5 | -11.2 | 0 | 0 | 0 | 111.8 | N252 P253 | N252-N255 PolarHBondContact O-N 2.94Å; N252-N255 VanDerWaalsContact O-N 3.09Å; P253-N255 VanDerWaalsContact C-N 3.29Å; P253-N255 PolarHBondContact O-N 3Å |
| 256 | D | 90 | Very high | 93.4 | Very high | 98 Ų | 98 | 40.5 Ų | 40.5 | 52% | 0.524 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -99.3 | -23.9 | -169.7 | -54.8 | -31.7 | 0 | 0 | 0 | 112.7 | N251 C258 | N251-D256 PolarHBondContact ND2-OD2 3.3Å; D256-C258 PolarHBondContact O-N 2.81Å |
| 257 | G | 91.3 | Very high | 93.2 | Very high | 44 Ų | 44 | 37.5 Ų | 37.5 | 45% | 0.454 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 75.5 | 5.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F183 P253 | F183-G257 WeakPolarHBondContact CE2-O 3.44Å; F183-G257 VanDerWaalsContact CZ-O 3.23Å; F183-G257 WeakPolarHBondContact CZ-O 3.35Å; P253-G257 PolarHBondContact O-N 3.36Å |
| 258 | C | 93.6 | Very high | 93 | Very high | 51 Ų | 51 | 39.6 Ų | 39.6 | 35% | 0.345 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -125.1 | 146.2 | 177.8 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | N251 P253 D256 | N251-C258 PolarHBondContact ND2-O 3.36Å; P253-C258 WeakPolarHBondContact CA-O 3.42Å; P253-C258 WeakPolarHBondContact CB-O 3.31Å; D256-C258 PolarHBondContact O-N 2.81Å |
| 259 | I | 96.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | trans | -98 | 107.6 | 168.6 | -62.2 | 166.3 | 0 | 0 | 0 | 107.7 | V158 F183 A186 H187 I201 I219 V249 P253 | V158-I259 HydrophobicContact CG1-CD1 3.93Å; V158-I259 HydrophobicContact CG1-CG1 4.19Å; F183-I259 HydrophobicContact CB-CD1 3.65Å; F183-I259 HydrophobicContact CD2-CD1 3.7Å; F183-I259 HydrophobicContact CD2-CG1 3.78Å; F183-I259 HydrophobicContact CG-CD1 4.19Å; A186-I259 HydrophobicContact CB-CB 4.09Å; A186-I259 HydrophobicContact CB-CG2 3.76Å; H187-I259 PolarHBondContact N-O 3.11Å; I201-I259 HydrophobicContact CD1-CD1 3.73Å; I219-I259 HydrophobicContact CD1-CD1 3.69Å; I219-I259 HydrophobicContact CG2-CD1 4.45Å; I219-I259 HydrophobicContact CG2-CG2 4.41Å; V249-I259 HydrophobicContact CG1-CG2 4.26Å; V249-I259 HydrophobicContact CG2-CG2 3.8Å; P253-I259 HydrophobicContact CB-CG1 3.99Å | ||
| 260 | N | 96.6 | Very high | 92.6 | Very high | 59 Ų | 59 | 44.3 Ų | 44.3 | 32% | 0.316 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.1 | 172.9 | -62.6 | -26.1 | 0 | 0 | 0 | 108.9 | H187 V249 T250 N251 | H187-N260 CarbonylContact O-C 3.59Å; H187-N260 WeakPolarHBondContact O-CA 3.25Å; V249-N260 CarbonylContact C-O 3.57Å; V249-N260 WeakPolarHBondContact CA-O 3.42Å; T250-N260 PolarHBondContact N-O 3.49Å; T250-N260 PolarHBondContact OG1-O 3.13Å; N251-N260 HydrophobicContact CB-CB 4.25Å; N251-N260 PolarHBondContact OD1-N 3.35Å; N251-N260 PolarHBondContact OD1-O 3.26Å |
| 261 | A | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H187 V188 T189 A247 Q248 V249 | H187-A261 PolarHBondContact O-N 2.78Å; V188-A261 CarbonylContact C-O 3.55Å; V188-A261 WeakPolarHBondContact CA-O 3.19Å; V188-A261 HydrophobicContact CG2-CB 4.42Å; T189-A261 PolarHBondContact N-O 3.48Å; A247-A261 HydrophobicContact CB-CB 3.93Å; Q248-A261 CarbonylContact O-C 3.55Å; Q248-A261 WeakPolarHBondContact O-CA 3.36Å; Q248-A261 WeakPolarHBondContact O-CB 3.38Å; V249-A261 HydrophobicContact CG2-CB 4.29Å |
| 262 | V | 95.4 | Very high | 92.3 | Very high | 34 Ų | 34 | 45.9 Ų | 45.9 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.4 | 175.2 | 174.7 | 0 | 0 | 0 | 0 | 108.5 | P191 A247 Q248 T250 | P191-V262 HydrophobicContact CG-CG1 4.49Å; A247-V262 CarbonylContact C-O 3.59Å; A247-V262 VanDerWaalsContact CA-O 3.23Å; A247-V262 WeakPolarHBondContact CA-O 3.28Å; Q248-V262 PolarHBondContact N-O 3.18Å; Q248-V262 PolarHBondContact O-N 3.27Å; T250-V262 HydrophobicContact CG2-CB 4.24Å; T250-V262 HydrophobicContact CG2-CG2 3.6Å |
| 263 | L | 92.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 137 | 175.5 | -76.4 | 168.2 | 0 | 0 | 0 | 111 | V188 T189 H190 V227 V229 L232 K245 A247 V265 | V188-L263 HydrophobicContact CG1-CD1 3.95Å; V188-L263 HydrophobicContact CG1-CD2 3.65Å; V188-L263 HydrophobicContact CG1-CG 3.36Å; T189-L263 PolarHBondContact O-N 3.47Å; H190-L263 HydrophobicContact CB-CD1 4.12Å; V227-L263 HydrophobicContact CG2-CD2 3.88Å; V229-L263 HydrophobicContact CG1-CD2 4.14Å; L232-L263 HydrophobicContact CD1-CD1 3.73Å; K245-L263 HydrophobicContact CB-CD2 4.19Å; K245-L263 HydrophobicContact CD-CD2 4.35Å; K245-L263 HydrophobicContact CG-CD2 4.21Å; A247-L263 HydrophobicContact CB-CD2 4.2Å; L263-V265 HydrophobicContact CB-CG2 4.13Å |
| 264 | L | 90 | Very high | 92 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 23% | 0.225 | 29% | 0.287 | C | S | . | . | trans | -87.3 | 108.6 | 169.9 | -56.2 | -179.3 | 0 | 0 | 0 | 107.8 | V124 P125 V224 K245 Y246 Q248 | V124-L264 HydrophobicContact CB-CD2 4.5Å; V124-L264 HydrophobicContact CG1-CD1 4.07Å; V124-L264 HydrophobicContact CG1-CD2 4.34Å; P125-L264 HydrophobicContact CG-CD2 4.05Å; V224-L264 HydrophobicContact CG1-CD1 4.24Å; K245-L264 WeakPolarHBondContact CE-O 3.47Å; Y246-L264 PolarHBondContact O-N 2.91Å; Q248-L264 HydrophobicContact CB-CD2 4.04Å; Q248-L264 HydrophobicContact CB-CG 4.49Å | ||
| 265 | V | 82.5 | Confident | 92.4 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | trans | -105.2 | 0 | -172.1 | -178.8 | 0 | 0 | 0 | 0 | 113.3 | K114 P191 L263 | K114-V265 PolarHBondContact NZ-O 3Å; K114-V265 PolarHBondContact NZ-OXT 3.2Å; P191-V265 HydrophobicContact CG-CG2 4.07Å; L263-V265 HydrophobicContact CB-CG2 4.13Å |
Retrieved 265 of 265 residues in 336.1 ms
(Link to these results)